#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpd s SER 144 N 0.00 4.89 0.50 3.17 1.04 -1.26 -4.81 113.70 117.22 3dpd s SER 144 Ca 0.00 2.32 0.25 0.00 0.48 0.00 0.00 55.95 59.00 3dpd s SER 144 Cb 0.00 -2.59 1.33 0.00 0.10 0.00 0.00 66.02 64.86 3dpd s SER 144 CO 0.00 -1.79 1.91 -0.08 0.98 0.00 0.00 173.24 174.25 3dpd h GLU 145 N 0.41 0.13 -0.41 4.02 4.22 -2.06 0.36 114.58 121.24 3dpd h GLU 145 Ca -0.49 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 58.79 3dpd h GLU 145 Cb 1.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3dpd h GLU 145 CO 0.53 0.09 -0.32 1.49 -2.18 0.00 0.00 179.01 178.62 3dpd h GLU 146 N 0.14 0.95 0.00 1.92 4.22 -2.01 -2.85 114.58 116.95 3dpd h GLU 146 Ca 0.39 -0.47 0.00 0.00 0.08 0.00 0.00 59.36 59.37 3dpd h GLU 146 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3dpd h GLU 146 CO -0.06 1.13 0.00 1.03 -2.18 0.00 0.00 179.01 178.93 3dpd h SER 147 N 0.78 0.00 1.57 1.04 0.87 -0.67 -2.87 113.55 114.27 3dpd h SER 147 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3dpd h SER 147 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 3dpd h SER 147 CO 0.08 0.00 -0.33 1.56 -0.53 0.00 0.00 176.83 177.61 3dpd h GLN 148 N 0.00 0.00 0.03 2.24 4.20 -1.05 -3.29 115.11 117.24 3dpd h GLN 148 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 3dpd h GLN 148 Cb 0.59 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3dpd h GLN 148 CO 0.00 0.00 -1.73 0.00 -0.67 0.00 0.00 178.83 176.43 3dpd h ALA 149 N 2.10 0.67 -0.37 3.87 0.00 -1.34 -3.28 119.26 120.90 3dpd h ALA 149 Ca 0.00 -1.42 0.03 0.00 0.00 0.00 0.00 54.91 53.53 3dpd h ALA 149 Cb 0.95 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 3dpd h ALA 149 CO 0.00 1.50 0.16 0.35 0.00 0.00 0.00 179.25 181.27 3dpd h PHE 150 N 0.02 0.30 -0.49 0.00 3.57 -1.61 0.40 116.94 119.13 3dpd h PHE 150 Ca -0.30 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 3dpd h PHE 150 Cb 2.01 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.65 3dpd h PHE 150 CO 0.02 0.15 0.28 0.37 -2.23 0.00 0.00 178.31 176.90 3dpd h GLN 151 N 0.34 0.66 -0.14 1.11 5.75 -1.71 0.27 115.11 121.40 3dpd h GLN 151 Ca 0.16 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.54 3dpd h GLN 151 Cb 0.10 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 3dpd h GLN 151 CO -0.13 0.48 -0.22 -0.09 -2.65 0.00 0.00 178.83 176.22 3dpd h ARG 152 N 0.68 0.25 0.37 1.69 2.43 -1.19 -2.12 114.38 116.49 3dpd h ARG 152 Ca 0.18 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3dpd h ARG 152 Cb -0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3dpd h ARG 152 CO -0.03 0.46 -0.18 0.37 -1.51 0.00 0.00 179.97 179.08 3dpd h GLN 153 N 0.23 -0.48 -0.85 0.20 4.15 0.14 -3.27 115.11 115.24 3dpd h GLN 153 Ca 0.04 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.69 3dpd h GLN 153 Cb 0.52 0.11 -0.15 0.00 0.21 0.00 0.00 27.48 28.16 3dpd h GLN 153 CO 0.03 -0.32 -0.02 -0.07 -1.93 0.00 0.00 178.83 176.53 3dpd h LEU 154 N -0.98 -0.45 -1.88 -2.39 3.38 -0.80 1.41 115.31 113.60 3dpd h LEU 154 Ca -0.05 0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.25 3dpd h LEU 154 Cb 0.38 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3dpd h LEU 154 CO 0.08 -0.24 0.48 0.74 0.09 0.00 0.00 178.44 179.59 3dpd h THR 155 N 0.07 0.25 0.16 0.22 2.02 -1.45 0.95 112.91 115.14 3dpd h THR 155 Ca 0.47 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 67.31 3dpd h THR 155 Cb 0.86 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3dpd h THR 155 CO -0.78 0.00 -1.69 0.00 0.37 0.00 0.00 175.52 173.42 3dpd h ALA 156 N 1.36 0.21 0.00 6.16 0.00 0.19 -0.71 119.26 126.47 3dpd h ALA 156 Ca 0.16 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3dpd h ALA 156 Cb 1.12 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3dpd h ALA 156 CO -0.00 1.08 0.00 1.28 0.00 0.00 0.00 179.25 181.61 3dpd n LEU 157 N -3.53 0.39 -0.11 0.00 4.77 0.16 -3.54 117.00 115.14 3dpd n LEU 157 Ca -0.22 0.57 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 3dpd n LEU 157 Cb 1.07 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 41.57 3dpd n LEU 157 CO 0.51 -0.31 -1.20 -0.38 -1.33 0.00 0.00 177.39 174.67 3dpd n ILE 158 N -1.90 1.19 -0.53 -0.08 5.41 -0.20 -5.02 119.36 118.23 3dpd n ILE 158 Ca 0.04 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.38 3dpd n ILE 158 Cb 0.26 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 3dpd n ILE 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dpd n GLY 159 N 2.24 0.70 3.63 7.39 0.00 -0.28 -4.73 105.19 114.14 3dpd n GLY 159 Ca -0.39 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 3dpd n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dpd s TYR 160 N -2.00 -0.82 -0.49 1.61 5.04 -1.19 -4.83 117.35 114.67 3dpd s TYR 160 Ca 0.00 1.91 -0.21 0.00 -2.44 0.00 0.00 57.07 56.33 3dpd s TYR 160 Cb 0.00 0.34 0.04 0.00 0.35 0.00 0.00 41.96 42.69 3dpd s TYR 160 CO 0.00 -0.40 0.71 0.34 -1.34 0.00 0.00 175.55 174.87 3dpd s ASP 161 N 0.60 6.29 0.00 4.32 2.15 -1.26 -4.65 116.67 124.13 3dpd s ASP 161 Ca -0.02 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.40 3dpd s ASP 161 Cb -0.05 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3dpd s ASP 161 CO -0.03 -0.94 0.33 1.33 -0.17 0.00 0.00 175.17 175.69 3dpd n VAL 162 N 5.85 0.04 -2.46 1.11 0.24 -1.26 -2.78 118.33 119.08 3dpd n VAL 162 Ca -0.03 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.20 3dpd n VAL 162 Cb 0.47 -0.34 0.05 0.00 -1.47 0.00 0.00 33.84 32.54 3dpd n VAL 162 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3dpd n THR 163 N 0.23 1.61 -3.55 3.34 -2.24 -1.26 -4.95 114.28 107.46 3dpd n THR 163 Ca 0.00 -3.17 -0.32 0.00 -2.27 0.00 0.00 64.05 58.29 3dpd n THR 163 Cb 0.17 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 3dpd n THR 163 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3dpd n ASP 164 N -0.56 4.12 -1.84 3.42 2.03 -1.12 -4.93 116.55 117.68 3dpd n ASP 164 Ca 0.20 -3.28 -0.01 0.00 0.52 0.00 0.00 54.79 52.21 3dpd n ASP 164 Cb 0.88 -0.90 -0.01 0.00 -0.72 0.00 0.00 41.12 40.37 3dpd n ASP 164 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3dpd n VAL 165 N 1.65 1.08 0.03 5.18 0.24 -1.26 -3.66 118.33 121.58 3dpd n VAL 165 Ca 0.24 -0.33 0.06 0.00 -2.04 0.00 0.00 64.34 62.27 3dpd n VAL 165 Cb 0.37 -1.33 -0.09 0.00 -1.47 0.00 0.00 33.84 31.32 3dpd n VAL 165 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3dpd n SER 166 N 1.92 0.50 -2.63 -1.34 2.88 -1.26 -4.46 113.62 109.23 3dpd n SER 166 Ca 0.04 0.21 -0.24 0.00 -1.33 0.00 0.00 58.87 57.54 3dpd n SER 166 Cb 0.28 0.89 -0.01 0.00 -0.75 0.00 0.00 64.21 64.63 3dpd n SER 166 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3dpd n ASN 167 N -2.62 4.05 -3.93 -3.46 5.15 -1.24 -5.04 115.26 108.16 3dpd n ASN 167 Ca -0.08 -3.54 -0.10 0.00 -0.60 0.00 0.00 54.58 50.26 3dpd n ASN 167 Cb 0.71 -0.50 -0.10 0.00 -0.53 0.00 0.00 39.78 39.36 3dpd n ASN 167 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dpd s VAL 168 N -4.86 0.10 -0.16 3.44 -7.23 -1.26 -4.68 120.40 105.76 3dpd s VAL 168 Ca 0.45 -0.83 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 3dpd s VAL 168 Cb 0.38 -0.37 0.16 0.00 0.56 0.00 0.00 36.38 37.12 3dpd s VAL 168 CO -0.14 -0.46 1.11 0.00 -0.31 0.00 0.00 175.10 175.29 3dpd n HIS 169 N 1.49 0.12 -3.83 2.82 1.44 -1.26 -5.04 115.22 110.96 3dpd n HIS 169 Ca -0.23 -0.69 -0.01 0.00 -2.01 0.00 0.00 57.72 54.78 3dpd n HIS 169 Cb 0.55 -0.10 0.01 0.00 0.12 0.00 0.00 29.99 30.58 3dpd n HIS 169 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3dpd n ASP 170 N -0.69 -1.15 -2.46 4.39 5.75 -1.26 -5.06 116.55 116.07 3dpd n ASP 170 Ca 0.08 -1.52 -0.32 0.00 -0.01 0.00 0.00 54.79 53.02 3dpd n ASP 170 Cb 0.44 1.85 0.03 0.00 -1.03 0.00 0.00 41.12 42.42 3dpd n ASP 170 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3dpd n ASP 171 N -1.02 6.24 -0.03 -1.12 3.85 -1.26 -4.73 116.55 118.49 3dpd n ASP 171 Ca -0.00 -3.78 -0.15 0.00 -0.71 0.00 0.00 54.79 50.15 3dpd n ASP 171 Cb 0.42 -0.72 -0.11 0.00 -1.35 0.00 0.00 41.12 39.36 3dpd n ASP 171 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3dpd h GLU 172 N 2.47 0.18 -0.09 0.11 4.81 -1.97 -0.06 114.58 120.03 3dpd h GLU 172 Ca 0.46 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3dpd h GLU 172 Cb 0.79 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3dpd h GLU 172 CO 1.17 0.87 -0.05 -0.07 -0.73 0.00 0.00 179.01 180.20 3dpd h LEU 173 N -0.44 -0.15 -0.70 1.64 3.38 -1.99 0.41 115.31 117.45 3dpd h LEU 173 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dpd h LEU 173 Cb 0.93 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3dpd h LEU 173 CO 0.04 -0.07 0.38 -0.08 0.09 0.00 0.00 178.44 178.81 3dpd h GLU 174 N -0.04 0.98 -0.48 1.13 4.57 -1.90 0.11 114.58 118.94 3dpd h GLU 174 Ca 0.05 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 3dpd h GLU 174 Cb 0.12 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3dpd h GLU 174 CO -0.12 0.74 0.17 0.35 -1.18 0.00 0.00 179.01 178.97 3dpd h PHE 175 N 0.97 0.71 -0.31 0.92 3.57 -0.43 -1.49 116.94 120.87 3dpd h PHE 175 Ca 0.25 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 3dpd h PHE 175 Cb 0.04 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3dpd h PHE 175 CO -0.00 0.57 -0.31 1.15 -2.23 0.00 0.00 178.31 177.48 3dpd h THR 176 N 0.69 1.29 -0.61 4.41 2.02 0.95 0.20 112.91 121.87 3dpd h THR 176 Ca 0.16 -1.48 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 3dpd h THR 176 Cb 0.18 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3dpd h THR 176 CO -0.01 0.48 0.29 0.03 0.37 0.00 0.00 175.52 176.68 3dpd h ARG 177 N 0.53 0.89 0.00 6.66 3.08 -0.56 0.11 114.38 125.08 3dpd h ARG 177 Ca 0.05 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3dpd h ARG 177 Cb 0.89 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3dpd h ARG 177 CO 0.08 0.72 -0.29 0.00 -1.07 0.00 0.00 179.97 179.40 3dpd h ARG 178 N 0.84 0.00 0.06 0.04 3.08 -1.05 -2.91 114.38 114.43 3dpd h ARG 178 Ca 0.21 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.03 3dpd h ARG 178 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3dpd h ARG 178 CO -0.03 0.29 -1.06 0.78 -1.07 0.00 0.00 179.97 178.89 3dpd h GLY 179 N 0.90 0.23 1.94 0.04 0.00 0.48 -3.26 103.07 103.40 3dpd h GLY 179 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3dpd h GLY 179 CO 0.04 0.45 0.00 1.04 0.00 0.00 0.00 176.54 178.06 3dpd n LEU 180 N -3.55 0.00 0.29 3.11 4.77 0.27 -3.51 117.00 118.38 3dpd n LEU 180 Ca -0.05 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.54 3dpd n LEU 180 Cb 0.93 -0.47 0.87 0.00 -2.33 0.00 0.00 43.42 42.42 3dpd n LEU 180 CO 0.50 -0.07 1.11 0.58 -1.33 0.00 0.00 177.39 178.18 3dpd h VAL 181 N 0.00 0.59 0.04 4.08 2.07 -1.58 -2.42 116.25 119.05 3dpd h VAL 181 Ca 0.00 -0.04 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 3dpd h VAL 181 Cb 0.40 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3dpd h VAL 181 CO 0.00 0.01 -0.95 0.74 0.02 0.00 0.00 177.57 177.38 3dpd h THR 182 N 0.00 1.21 -0.74 2.57 2.02 -1.81 -3.01 112.91 113.15 3dpd h THR 182 Ca -0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3dpd h THR 182 Cb 0.02 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.13 3dpd h THR 182 CO 0.00 0.54 0.48 -0.65 0.37 0.00 0.00 175.52 176.26 3dpd h PRO 183 N -0.75 0.98 0.53 6.66 0.11 -1.74 0.28 132.00 138.06 3dpd h PRO 183 Ca -0.23 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3dpd h PRO 183 Cb 1.39 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dpd h PRO 183 CO -0.05 0.66 -0.25 -0.09 -0.21 0.00 0.00 178.00 178.05 3dpd h ARG 184 N 1.01 -0.68 -0.91 1.05 2.43 -1.58 -1.52 114.38 114.18 3dpd h ARG 184 Ca 0.27 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.58 3dpd h ARG 184 Cb -0.10 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 3dpd h ARG 184 CO -0.06 -0.46 0.55 0.52 -1.51 0.00 0.00 179.97 179.02 3dpd h MET 185 N -0.77 0.90 -0.75 0.20 2.86 -1.41 0.11 114.93 116.07 3dpd h MET 185 Ca -0.07 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3dpd h MET 185 Cb 0.54 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 3dpd h MET 185 CO 0.12 0.60 0.47 0.00 1.06 0.00 0.00 176.91 179.16 3dpd h ALA 186 N 1.47 0.98 0.02 6.32 0.00 -0.42 0.11 119.26 127.74 3dpd h ALA 186 Ca 0.43 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.11 3dpd h ALA 186 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dpd h ALA 186 CO -0.23 0.27 -0.94 1.49 0.00 0.00 0.00 179.25 179.83 3dpd h GLU 187 N 0.92 0.10 0.35 0.00 4.57 -0.35 -3.09 114.58 117.07 3dpd h GLU 187 Ca 0.30 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3dpd h GLU 187 Cb 0.02 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3dpd h GLU 187 CO -0.11 0.97 -0.17 0.28 -1.18 0.00 0.00 179.01 178.80 3dpd h VAL 188 N 0.05 0.67 -0.22 0.32 2.07 -0.42 -2.58 116.25 116.14 3dpd h VAL 188 Ca -0.04 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 3dpd h VAL 188 Cb 1.63 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 3dpd h VAL 188 CO 0.13 0.07 0.16 0.00 0.02 0.00 0.00 177.57 177.95 3dpd n ALA 189 N -2.40 3.62 -0.05 1.67 0.00 0.35 -3.43 120.51 120.27 3dpd n ALA 189 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3dpd n ALA 189 Cb 0.25 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3dpd n ALA 189 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dpd n SER 190 N 0.42 0.00 -4.81 0.00 2.88 -1.08 -4.98 113.62 106.04 3dpd n SER 190 Ca 0.13 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.29 3dpd n SER 190 Cb 0.68 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.08 3dpd n SER 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dpd s ARG 191 N 0.00 4.12 -0.20 -1.46 1.70 -0.99 -5.01 118.95 117.11 3dpd s ARG 191 Ca 0.00 0.62 -0.29 0.00 -0.47 0.00 0.00 55.73 55.59 3dpd s ARG 191 Cb 0.00 -3.25 -0.04 0.00 -0.57 0.00 0.00 34.95 31.09 3dpd s ARG 191 CO 0.00 0.62 1.91 0.34 -1.08 0.00 0.00 175.30 177.09 3dpd s ASP 192 N -0.98 5.98 0.44 -2.89 2.15 -1.26 -4.88 116.67 115.23 3dpd s ASP 192 Ca 0.27 1.81 0.17 0.00 0.43 0.00 0.00 52.55 55.23 3dpd s ASP 192 Cb -0.18 -2.52 1.09 0.00 -0.30 0.00 0.00 42.92 41.01 3dpd s ASP 192 CO 0.17 -1.55 1.93 1.55 -0.17 0.00 0.00 175.17 177.10 3dpd h PRO 193 N 12.58 0.36 0.44 4.34 0.13 -1.95 -1.85 132.00 146.04 3dpd h PRO 193 Ca -0.39 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3dpd h PRO 193 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3dpd h PRO 193 CO 0.98 0.24 -0.21 0.87 -0.23 0.00 0.00 178.00 179.65 3dpd h LYS 194 N 0.37 -0.56 -0.55 0.86 1.57 -1.90 -2.21 116.57 114.14 3dpd h LYS 194 Ca 0.36 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.20 3dpd h LYS 194 Cb 0.87 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 3dpd h LYS 194 CO -0.10 -0.31 0.34 -0.07 -0.57 0.00 0.00 179.45 178.74 3dpd h LEU 195 N -1.09 0.56 -1.33 2.94 3.38 -1.97 -1.61 115.31 116.20 3dpd h LEU 195 Ca -0.06 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3dpd h LEU 195 Cb 0.52 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 3dpd h LEU 195 CO 0.10 0.40 0.51 0.22 0.09 0.00 0.00 178.44 179.76 3dpd h TYR 196 N 0.68 0.82 -0.53 1.13 3.20 -1.42 0.38 116.97 121.23 3dpd h TYR 196 Ca 0.22 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 3dpd h TYR 196 Cb 0.00 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3dpd h TYR 196 CO -0.06 0.41 0.18 0.00 -1.64 0.00 0.00 178.16 177.05 3dpd h ALA 197 N 1.59 1.32 -0.00 1.82 0.00 -0.63 -2.94 119.26 120.41 3dpd h ALA 197 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dpd h ALA 197 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dpd h ALA 197 CO -0.13 0.50 -0.81 -1.33 0.00 0.00 0.00 179.25 177.48 3dpd n MET 198 N -4.31 0.24 -4.09 0.00 2.81 -0.51 -4.93 117.12 106.33 3dpd n MET 198 Ca 0.04 -0.19 -0.38 0.00 -1.81 0.00 0.00 57.70 55.36 3dpd n MET 198 Cb 0.19 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.18 3dpd n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3dpd n HIS 199 N -1.21 -1.19 -1.48 2.03 1.44 0.12 -4.29 115.22 110.65 3dpd n HIS 199 Ca 0.05 0.23 -0.39 0.00 -2.01 0.00 0.00 57.72 55.61 3dpd n HIS 199 Cb 0.36 -2.49 0.03 0.00 0.12 0.00 0.00 29.99 28.01 3dpd n HIS 199 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 3dpd n PRO 200 N -4.53 0.56 -3.88 -1.40 -0.02 -1.26 -4.88 135.00 119.59 3dpd n PRO 200 Ca -0.17 0.22 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 3dpd n PRO 200 Cb 0.55 -1.71 -0.15 0.00 -0.02 0.00 0.00 33.50 32.18 3dpd n PRO 200 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3dpd s TRP 201 N -1.67 2.81 0.38 6.00 -0.00 -1.26 -5.04 118.94 120.15 3dpd s TRP 201 Ca 0.68 -2.48 0.04 0.00 -0.00 0.00 0.00 56.10 54.34 3dpd s TRP 201 Cb -0.46 -2.38 -0.04 0.00 -0.00 0.00 0.00 33.47 30.59 3dpd s TRP 201 CO 0.55 -0.90 0.10 0.14 -0.00 0.00 0.00 176.95 176.84 3dpd s VAL 202 N 1.08 0.78 -0.04 5.86 -7.23 -1.26 -1.36 120.40 118.22 3dpd s VAL 202 Ca 0.11 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.22 3dpd s VAL 202 Cb -0.19 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.27 3dpd s VAL 202 CO -0.14 0.00 0.15 0.28 -0.31 0.00 0.00 175.10 175.09 3dpd s THR 203 N -3.26 0.02 -1.65 5.32 -1.32 -0.34 -4.40 115.64 110.01 3dpd s THR 203 Ca 0.28 -0.18 0.27 0.00 -1.21 0.00 0.00 61.69 60.85 3dpd s THR 203 Cb 0.05 -0.28 0.32 0.00 -1.51 0.00 0.00 72.50 71.07 3dpd s THR 203 CO 0.14 -0.10 1.67 -1.54 -2.21 0.00 0.00 174.62 172.59 3dpd n SER 204 N 2.59 0.76 -4.75 8.08 3.41 -1.26 -4.72 113.62 117.73 3dpd n SER 204 Ca -0.15 -0.70 -0.36 0.00 -0.26 0.00 0.00 58.87 57.40 3dpd n SER 204 Cb 0.58 0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.62 3dpd n SER 204 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dpd s LYS 205 N -2.54 2.94 0.43 4.33 1.02 -1.26 -4.97 119.74 119.69 3dpd s LYS 205 Ca 0.25 1.86 -0.23 0.00 0.02 0.00 0.00 55.97 57.87 3dpd s LYS 205 Cb 0.19 -1.93 -0.08 0.00 -0.52 0.00 0.00 37.83 35.49 3dpd s LYS 205 CO 0.52 -1.24 1.12 -1.25 -0.92 0.00 0.00 175.35 173.58 3dpd s PRO 206 N -3.32 3.93 -0.02 -1.68 0.04 -1.26 -4.93 135.00 127.76 3dpd s PRO 206 Ca 0.78 1.68 -0.32 0.00 0.04 0.00 0.00 61.00 63.18 3dpd s PRO 206 Cb -0.31 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 3dpd s PRO 206 CO 0.34 -0.39 1.92 1.28 0.04 0.00 0.00 177.00 180.19 3dpd n LEU 207 N -0.30 3.80 -4.25 -3.56 4.77 -1.26 -4.91 117.00 111.29 3dpd n LEU 207 Ca 0.06 0.94 -0.34 0.00 -0.03 0.00 0.00 56.01 56.64 3dpd n LEU 207 Cb 0.48 -1.45 0.11 0.00 -2.33 0.00 0.00 43.42 40.24 3dpd n LEU 207 CO 0.47 0.07 -0.72 -2.65 -1.33 0.00 0.00 177.39 173.23 3dpd n PRO 208 N 6.98 -0.66 0.20 3.23 -0.02 -1.26 -4.37 135.00 139.10 3dpd n PRO 208 Ca 0.21 -0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.37 3dpd n PRO 208 Cb 0.35 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 3dpd n PRO 208 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dpd h GLU 209 N -1.58 -0.45 -0.70 -0.52 4.81 -1.91 0.33 114.58 114.57 3dpd h GLU 209 Ca -0.47 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3dpd h GLU 209 Cb 1.33 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.77 3dpd h GLU 209 CO 0.32 -0.26 0.46 0.10 -0.73 0.00 0.00 179.01 178.90 3dpd h TYR 210 N -0.52 0.78 0.08 0.92 -0.00 -1.91 0.29 116.97 116.63 3dpd h TYR 210 Ca -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 58.73 58.70 3dpd h TYR 210 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 36.73 36.86 3dpd h TYR 210 CO -0.04 0.44 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.46 3dpd h LEU 211 N 0.80 -0.09 0.28 0.10 3.38 -1.85 -3.35 115.31 114.57 3dpd h LEU 211 Ca 0.29 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3dpd h LEU 211 Cb 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3dpd h LEU 211 CO -0.09 0.56 -0.39 -0.25 0.09 0.00 0.00 178.44 178.37 3dpd h TRP 212 N -0.95 -1.06 0.00 1.13 -0.00 -0.27 -3.03 115.95 111.77 3dpd h TRP 212 Ca -0.01 0.01 -0.70 0.00 -0.00 0.00 0.00 58.89 58.20 3dpd h TRP 212 Cb 0.49 0.43 -0.02 0.00 -0.00 0.00 0.00 29.16 30.06 3dpd h TRP 212 CO 0.11 -0.52 3.08 1.17 -0.00 0.00 0.00 178.44 182.28 3dpd n LYS 213 N -5.47 2.73 0.00 2.65 4.81 0.10 -2.73 118.16 120.25 3dpd n LYS 213 Ca -0.09 -2.46 0.00 0.00 -0.87 0.00 0.00 58.31 54.90 3dpd n LYS 213 Cb 0.38 -3.19 0.00 0.00 0.02 0.00 0.00 35.03 32.23 3dpd n LYS 213 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3dpd n LYS 214 N 6.00 0.00 -2.49 1.64 4.81 -1.15 -4.73 118.16 122.25 3dpd n LYS 214 Ca 0.54 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.59 3dpd n LYS 214 Cb 0.38 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.39 3dpd n LYS 214 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3dpd s ILE 215 N 0.00 3.56 -0.93 3.15 1.01 -1.10 -4.90 121.20 121.99 3dpd s ILE 215 Ca 0.00 1.38 -0.25 0.00 0.00 0.00 0.00 60.65 61.78 3dpd s ILE 215 Cb 0.00 -3.81 -0.13 0.00 0.01 0.00 0.00 42.46 38.53 3dpd s ILE 215 CO 0.00 0.19 2.19 0.00 0.00 0.00 0.00 174.94 177.32 3dpd s ALA 216 N -1.39 0.96 0.00 9.38 0.00 -1.25 -4.68 121.76 124.77 3dpd s ALA 216 Ca 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3dpd s ALA 216 Cb -0.28 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.23 3dpd s ALA 216 CO 0.35 -5.87 0.00 -1.71 0.00 0.00 0.00 175.76 168.54 3dpd n ASN 217 N 17.48 0.00 -2.29 0.00 2.85 -1.26 -2.08 115.26 129.96 3dpd n ASN 217 Ca 0.44 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.81 3dpd n ASN 217 Cb 0.45 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.52 3dpd n ASN 217 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3dpd n ASN 218 N 11.02 3.02 -3.67 1.20 5.15 -1.26 -5.02 115.26 125.69 3dpd n ASN 218 Ca 0.00 -2.88 -0.12 0.00 -0.60 0.00 0.00 54.58 50.99 3dpd n ASN 218 Cb 0.00 -0.41 -0.08 0.00 -0.53 0.00 0.00 39.78 38.75 3dpd n ASN 218 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dpd n ILE 220 N 3.30 0.00 -4.24 0.00 -5.35 0.31 -3.85 119.36 109.54 3dpd n ILE 220 Ca -0.16 -0.93 -0.19 0.00 -0.27 0.00 0.00 62.75 61.20 3dpd n ILE 220 Cb 0.56 0.21 -0.15 0.00 -1.74 0.00 0.00 39.64 38.52 3dpd n ILE 220 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3dpd s PHE 221 N -1.78 0.72 -0.29 4.28 0.08 -1.26 -0.49 117.98 119.23 3dpd s PHE 221 Ca 0.01 -0.17 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3dpd s PHE 221 Cb 0.00 -0.55 0.09 0.00 -0.57 0.00 0.00 43.02 41.99 3dpd s PHE 221 CO 0.01 -0.10 0.08 0.96 -0.10 0.00 0.00 175.22 176.07 3dpd s ILE 222 N 0.37 0.85 -0.22 0.64 -4.36 -1.20 -4.21 121.20 113.07 3dpd s ILE 222 Ca -0.05 -1.27 -0.29 0.00 -0.26 0.00 0.00 60.65 58.79 3dpd s ILE 222 Cb -0.09 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 3dpd s ILE 222 CO 0.00 -0.58 1.98 -0.69 0.24 0.00 0.00 174.94 175.89 3dpd s VAL 223 N 1.65 3.24 0.16 8.37 1.01 -1.11 -3.94 120.40 129.77 3dpd s VAL 223 Ca 0.07 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 3dpd s VAL 223 Cb -0.17 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 3dpd s VAL 223 CO -0.22 -0.16 0.58 -0.63 0.00 0.00 0.00 175.10 174.67 3dpd s ILE 224 N 6.98 4.81 0.39 2.22 1.01 -0.92 -2.77 121.20 132.93 3dpd s ILE 224 Ca 0.89 0.90 0.05 0.00 0.00 0.00 0.00 60.65 62.49 3dpd s ILE 224 Cb -0.30 -3.75 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 3dpd s ILE 224 CO 0.35 0.23 0.03 -1.00 0.00 0.00 0.00 174.94 174.55 3dpd s HIS 225 N -1.48 2.26 0.00 3.97 3.76 -0.31 -2.80 115.29 120.69 3dpd s HIS 225 Ca 0.39 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 3dpd s HIS 225 Cb -0.15 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 31.96 3dpd s HIS 225 CO 0.19 0.26 0.00 -2.13 -0.85 0.00 0.00 174.74 172.21 3dpd n ARG 226 N -0.91 0.00 0.00 1.40 3.00 -1.15 -2.08 116.66 116.92 3dpd n ARG 226 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 3dpd n ARG 226 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.13 3dpd n ARG 226 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3dpd n SER 227 N 0.00 0.00 0.00 6.15 7.64 -1.26 -4.70 113.62 121.45 3dpd n SER 227 Ca 0.00 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.83 3dpd n SER 227 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3dpd n SER 227 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3dpd n THR 228 N -2.05 0.00 -1.23 0.44 5.66 -1.26 -5.11 114.28 110.74 3dpd n THR 228 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 3dpd n THR 228 Cb 0.00 0.15 0.14 0.00 -1.55 0.00 0.00 70.33 69.07 3dpd n THR 228 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3dpd s THR 229 N 0.00 2.64 -0.29 1.09 2.01 -1.26 -5.07 115.64 114.75 3dpd s THR 229 Ca 0.00 0.21 -0.23 0.00 0.31 0.00 0.00 61.69 61.98 3dpd s THR 229 Cb 0.00 -2.72 0.18 0.00 0.01 0.00 0.00 72.50 69.97 3dpd s THR 229 CO 0.00 -0.27 1.31 -0.94 -0.69 0.00 0.00 174.62 174.03 3dpd s SER 230 N -3.47 -0.15 0.02 3.53 1.04 -1.26 -2.93 113.70 110.48 3dpd s SER 230 Ca 0.63 0.28 0.01 0.00 0.48 0.00 0.00 55.95 57.36 3dpd s SER 230 Cb -0.18 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 3dpd s SER 230 CO 0.57 -0.05 -0.04 -1.10 0.98 0.00 0.00 173.24 173.60 3dpd s GLN 231 N 0.32 0.34 0.04 4.02 -1.52 -1.12 -4.98 119.66 116.75 3dpd s GLN 231 Ca 0.03 -0.41 -0.17 0.00 -1.95 0.00 0.00 55.36 52.86 3dpd s GLN 231 Cb -0.04 -0.18 -0.06 0.00 -0.22 0.00 0.00 33.01 32.51 3dpd s GLN 231 CO -0.13 0.03 0.48 0.99 -0.25 0.00 0.00 175.29 176.42 3dpd s THR 232 N -0.76 4.90 0.05 -0.19 2.01 -1.26 -2.16 115.64 118.23 3dpd s THR 232 Ca -0.06 1.00 0.08 0.00 0.31 0.00 0.00 61.69 63.02 3dpd s THR 232 Cb -0.06 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 3dpd s THR 232 CO -0.00 0.56 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.63 3dpd s ILE 233 N -1.11 1.81 -0.45 1.82 1.09 -1.25 -5.00 121.20 118.12 3dpd s ILE 233 Ca 0.26 -1.30 -0.23 0.00 -1.10 0.00 0.00 60.65 58.28 3dpd s ILE 233 Cb -0.18 -1.58 0.02 0.00 -1.06 0.00 0.00 42.46 39.67 3dpd s ILE 233 CO 0.16 0.21 0.77 -0.54 -0.10 0.00 0.00 174.94 175.45 3dpd s LYS 234 N -1.30 3.41 -0.09 2.79 1.02 -1.26 -3.25 119.74 121.06 3dpd s LYS 234 Ca 0.09 -0.12 0.02 0.00 0.02 0.00 0.00 55.97 55.98 3dpd s LYS 234 Cb -0.09 -3.93 0.01 0.00 -0.52 0.00 0.00 37.83 33.30 3dpd s LYS 234 CO 0.02 -1.10 -0.13 0.08 -0.92 0.00 0.00 175.35 173.31 3dpd s VAL 235 N 3.23 1.28 0.86 3.17 1.01 0.35 -4.90 120.40 125.41 3dpd s VAL 235 Ca 0.29 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3dpd s VAL 235 Cb -0.12 -1.18 0.11 0.00 0.00 0.00 0.00 36.38 35.19 3dpd s VAL 235 CO 0.22 0.39 1.14 -0.94 0.00 0.00 0.00 175.10 175.92 3dpd s SER 236 N 0.89 3.44 0.18 3.32 1.04 -1.26 0.11 113.70 121.43 3dpd s SER 236 Ca -0.10 2.14 -0.09 0.00 0.48 0.00 0.00 55.95 58.38 3dpd s SER 236 Cb -0.15 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.47 3dpd s SER 236 CO 0.01 -2.76 1.60 1.55 0.98 0.00 0.00 173.24 174.62 3dpd h PRO 237 N -1.48 1.00 0.00 4.02 0.13 -1.92 -2.90 132.00 130.84 3dpd h PRO 237 Ca -0.44 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 3dpd h PRO 237 Cb 1.26 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dpd h PRO 237 CO 0.45 1.06 0.00 -0.25 -0.23 0.00 0.00 178.00 179.03 3dpd n ASP 238 N -4.14 0.00 -3.08 1.44 8.00 -1.26 -2.74 116.55 114.77 3dpd n ASP 238 Ca 0.01 -0.67 -0.10 0.00 0.71 0.00 0.00 54.79 54.74 3dpd n ASP 238 Cb 0.41 -0.05 0.10 0.00 -0.02 0.00 0.00 41.12 41.56 3dpd n ASP 238 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dpd n ASP 239 N -1.05 -2.67 -3.89 -2.24 8.00 -1.10 -4.58 116.55 109.02 3dpd n ASP 239 Ca 0.18 -0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.31 3dpd n ASP 239 Cb 0.10 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 40.80 3dpd n ASP 239 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dpd s THR 240 N -1.34 0.14 0.44 -3.53 -4.23 -1.26 -0.07 115.64 105.78 3dpd s THR 240 Ca 0.22 -1.26 0.10 0.00 -1.18 0.00 0.00 61.69 59.57 3dpd s THR 240 Cb -0.04 -1.43 0.25 0.00 1.34 0.00 0.00 72.50 72.62 3dpd s THR 240 CO 0.18 -0.62 2.06 -0.65 -0.54 0.00 0.00 174.62 175.05 3dpd h PRO 241 N 2.75 0.33 -0.22 3.99 0.11 -1.82 -0.38 132.00 136.77 3dpd h PRO 241 Ca -0.34 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.61 3dpd h PRO 241 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dpd h PRO 241 CO 0.56 0.26 -0.37 0.78 -0.21 0.00 0.00 178.00 179.02 3dpd h GLY 242 N 0.42 0.70 0.66 -0.55 0.00 -1.90 -3.16 103.07 99.23 3dpd h GLY 242 Ca 0.09 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.65 3dpd h GLY 242 CO -0.01 0.72 -0.07 0.00 0.00 0.00 0.00 176.54 177.18 3dpd h ALA 243 N 0.62 0.05 -2.11 3.60 0.00 -1.73 -3.30 119.26 116.41 3dpd h ALA 243 Ca 0.02 0.05 -0.45 0.00 0.00 0.00 0.00 54.91 54.53 3dpd h ALA 243 Cb 0.96 0.16 0.16 0.00 0.00 0.00 0.00 17.79 19.07 3dpd h ALA 243 CO 0.08 -0.51 0.41 0.42 0.00 0.00 0.00 179.25 179.65 3dpd s ILE 244 N -6.19 1.98 0.00 0.00 1.01 -0.23 -2.25 121.20 115.52 3dpd s ILE 244 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3dpd s ILE 244 Cb 0.09 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3dpd s ILE 244 CO 0.68 0.00 0.00 -0.11 0.00 0.00 0.00 174.94 175.51 3dpd n LEU 245 N -3.77 0.00 0.01 2.97 0.00 -1.26 -4.23 117.00 110.72 3dpd n LEU 245 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 56.13 3dpd n LEU 245 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 44.01 3dpd n LEU 245 CO 0.47 0.00 0.06 -0.61 0.00 0.00 0.00 177.39 177.31 3dpd h GLN 246 N 0.00 -0.12 0.00 1.96 -0.00 -1.68 0.63 115.11 115.90 3dpd h GLN 246 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 3dpd h GLN 246 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.51 3dpd h GLN 246 CO 0.00 -0.08 0.00 0.43 0.00 0.00 0.00 178.83 179.18 3dpd n SER 247 N -4.36 0.01 0.00 -0.69 7.64 -0.95 -1.32 113.62 113.95 3dpd n SER 247 Ca -0.02 0.50 -0.20 0.00 1.01 0.00 0.00 58.87 60.16 3dpd n SER 247 Cb 0.05 -0.50 -0.14 0.00 -1.01 0.00 0.00 64.21 62.61 3dpd n SER 247 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3dpd n PHE 248 N -1.51 1.24 0.09 1.43 7.35 -1.22 -4.04 117.46 120.81 3dpd n PHE 248 Ca 0.03 0.27 0.19 0.00 -0.76 0.00 0.00 57.45 57.18 3dpd n PHE 248 Cb 0.12 -1.17 0.74 0.00 0.35 0.00 0.00 39.48 39.53 3dpd n PHE 248 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3dpd h PHE 249 N 0.07 0.00 -2.70 -5.13 0.05 0.16 -2.93 116.94 106.46 3dpd h PHE 249 Ca -0.41 0.00 -0.81 0.00 3.82 0.00 0.00 57.97 60.57 3dpd h PHE 249 Cb 2.03 0.00 -0.28 0.00 2.00 0.00 0.00 35.95 39.70 3dpd h PHE 249 CO 0.07 0.00 0.84 0.25 -0.18 0.00 0.00 178.31 179.29 3dpd n THR 250 N -4.09 5.54 -1.51 -1.55 -2.24 -1.17 -4.30 114.28 104.96 3dpd n THR 250 Ca 0.06 -5.95 -0.01 0.00 -2.27 0.00 0.00 64.05 55.88 3dpd n THR 250 Cb 0.50 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 66.80 3dpd n THR 250 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3dpd n LYS 251 N 0.88 0.00 0.10 -0.78 4.81 -1.11 -5.00 118.16 117.06 3dpd n LYS 251 Ca 0.32 -0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 3dpd n LYS 251 Cb 0.31 0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.57 3dpd n LYS 251 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3dpd n MET 252 N 0.00 0.00 -0.66 1.64 2.81 -1.26 -5.13 117.12 114.52 3dpd n MET 252 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3dpd n MET 252 Cb 0.29 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.80 3dpd n MET 252 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3dpd n ASP 269 N -2.96 0.00 -4.28 7.83 4.64 -1.26 -5.19 116.55 115.33 3dpd n ASP 269 Ca 0.00 0.00 -0.18 0.00 -1.38 0.00 0.00 54.79 53.23 3dpd n ASP 269 Cb 0.00 -0.29 -0.11 0.00 -1.04 0.00 0.00 41.12 39.69 3dpd n ASP 269 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3dpd s PHE 270 N -3.35 1.53 0.26 -0.67 2.99 -1.26 -4.83 117.98 112.64 3dpd s PHE 270 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 56.93 56.47 3dpd s PHE 270 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 43.02 42.21 3dpd s PHE 270 CO 0.00 0.22 -0.13 0.54 -0.00 0.00 0.00 175.22 175.85 3dpd s VAL 271 N -2.47 2.84 -0.28 -0.44 0.11 -0.31 -4.97 120.40 114.87 3dpd s VAL 271 Ca 0.14 -2.14 -0.11 0.00 -2.93 0.00 0.00 61.98 56.95 3dpd s VAL 271 Cb -0.03 -2.48 -0.05 0.00 -1.53 0.00 0.00 36.38 32.30 3dpd s VAL 271 CO 0.04 -0.33 0.18 -0.76 -3.33 0.00 0.00 175.10 170.90 3dpd s LEU 272 N -3.40 3.97 0.04 2.54 1.43 -1.26 -2.66 118.68 119.35 3dpd s LEU 272 Ca 0.29 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.42 3dpd s LEU 272 Cb -0.06 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3dpd s LEU 272 CO 0.16 -0.06 -0.25 -0.60 0.23 0.00 0.00 176.35 175.84 3dpd s ARG 273 N 1.74 1.87 0.20 1.70 3.52 -0.90 -0.04 118.95 127.05 3dpd s ARG 273 Ca 0.07 -1.08 -0.30 0.00 -0.13 0.00 0.00 55.73 54.29 3dpd s ARG 273 Cb -0.16 -2.03 -0.08 0.00 -1.56 0.00 0.00 34.95 31.12 3dpd s ARG 273 CO 0.10 0.52 1.17 0.08 -0.81 0.00 0.00 175.30 176.36 3dpd s VAL 274 N -0.83 3.58 0.27 7.11 1.01 0.49 0.51 120.40 132.55 3dpd s VAL 274 Ca 0.12 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 3dpd s VAL 274 Cb -0.10 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 3dpd s VAL 274 CO 0.03 0.25 1.51 0.00 0.00 0.00 0.00 175.10 176.89 3dpd n GLY 276 N 2.18 2.93 3.65 0.00 0.00 -1.26 -4.52 105.19 108.17 3dpd n GLY 276 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3dpd n GLY 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dpd s ARG 277 N 0.00 2.02 -0.71 1.61 0.52 -0.96 -4.40 118.95 117.03 3dpd s ARG 277 Ca 0.00 -2.22 0.02 0.00 -0.52 0.00 0.00 55.73 53.01 3dpd s ARG 277 Cb 0.00 -1.39 0.36 0.00 0.52 0.00 0.00 34.95 34.44 3dpd s ARG 277 CO 0.00 -0.25 1.43 -0.25 0.02 0.00 0.00 175.30 176.25 3dpd n ASP 278 N -1.10 5.88 -3.93 0.23 10.43 -0.43 -4.59 116.55 123.03 3dpd n ASP 278 Ca -0.11 -3.73 -0.30 0.00 2.57 0.00 0.00 54.79 53.22 3dpd n ASP 278 Cb 0.67 -0.79 -0.15 0.00 1.84 0.00 0.00 41.12 42.68 3dpd n ASP 278 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3dpd s GLU 279 N -3.83 1.54 -0.17 -1.24 2.56 -1.26 -4.87 118.70 111.43 3dpd s GLU 279 Ca 0.47 -1.12 -0.09 0.00 0.00 0.00 0.00 54.97 54.23 3dpd s GLU 279 Cb 0.32 -2.62 -0.05 0.00 2.00 0.00 0.00 34.13 33.79 3dpd s GLU 279 CO -0.21 -0.68 0.14 0.71 -0.56 0.00 0.00 175.26 174.66 3dpd s TYR 280 N 1.35 3.48 -1.07 5.30 1.51 -1.26 -0.38 117.35 126.27 3dpd s TYR 280 Ca -0.02 0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 56.29 3dpd s TYR 280 Cb -0.19 -2.09 0.17 0.00 -0.11 0.00 0.00 41.96 39.75 3dpd s TYR 280 CO -0.08 0.44 1.24 -0.51 -1.11 0.00 0.00 175.55 175.54 3dpd s LEU 281 N -0.12 5.33 0.45 -1.29 1.43 0.95 -4.55 118.68 120.87 3dpd s LEU 281 Ca 0.11 -2.72 0.03 0.00 -1.03 0.00 0.00 54.13 50.52 3dpd s LEU 281 Cb -0.11 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 3dpd s LEU 281 CO 0.00 -0.79 0.10 -0.69 0.23 0.00 0.00 176.35 175.21 3dpd s VAL 282 N 1.53 0.68 0.00 -1.59 1.01 -1.26 -4.49 120.40 116.28 3dpd s VAL 282 Ca 0.36 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.34 3dpd s VAL 282 Cb -0.05 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3dpd s VAL 282 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3dpd n GLY 283 N -1.04 -0.21 3.58 4.51 0.00 -1.26 -4.76 105.19 106.01 3dpd n GLY 283 Ca -0.10 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 3dpd n GLY 283 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpd s GLU 284 N -3.87 3.50 -0.07 1.61 0.41 -1.26 -4.61 118.70 114.40 3dpd s GLU 284 Ca 0.00 -1.69 -0.10 0.00 -0.41 0.00 0.00 54.97 52.76 3dpd s GLU 284 Cb 0.00 -5.44 0.02 0.00 -1.78 0.00 0.00 34.13 26.94 3dpd s GLU 284 CO 0.00 -2.81 0.27 -0.08 -0.49 0.00 0.00 175.26 172.15 3dpd s THR 285 N 6.43 0.02 0.14 3.63 -1.32 -1.26 -5.12 115.64 118.15 3dpd s THR 285 Ca 0.58 -0.17 -0.35 0.00 -1.21 0.00 0.00 61.69 60.54 3dpd s THR 285 Cb 0.02 -0.44 -0.15 0.00 -1.51 0.00 0.00 72.50 70.42 3dpd s THR 285 CO 0.09 -0.09 1.39 -2.65 -2.21 0.00 0.00 174.62 171.14 3dpd n PRO 286 N 2.44 1.52 -0.15 7.08 -0.02 -1.26 -4.14 135.00 140.46 3dpd n PRO 286 Ca -0.16 0.55 0.22 0.00 -2.02 0.00 0.00 63.50 62.09 3dpd n PRO 286 Cb 0.57 -2.21 0.63 0.00 -0.02 0.00 0.00 33.50 32.48 3dpd n PRO 286 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3dpd h ILE 287 N 3.28 0.66 0.00 4.25 -0.00 -0.61 0.53 117.51 125.63 3dpd h ILE 287 Ca -0.46 -0.06 -0.03 0.00 -0.00 0.00 0.00 64.86 64.31 3dpd h ILE 287 Cb 1.31 0.48 -0.00 0.00 -0.00 0.00 0.00 36.82 38.60 3dpd h ILE 287 CO 0.80 0.03 -0.16 0.07 -0.00 0.00 0.00 178.15 178.89 3dpd h LYS 288 N 0.17 0.00 0.00 2.19 2.10 -1.76 -2.86 116.57 116.41 3dpd h LYS 288 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 3dpd h LYS 288 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3dpd h LYS 288 CO -0.07 0.16 0.00 0.09 -2.00 0.00 0.00 179.45 177.63 3dpd n ASN 289 N -3.33 0.00 -4.68 7.07 4.13 0.19 -4.68 115.26 113.96 3dpd n ASN 289 Ca 0.00 -0.28 -0.42 0.00 1.68 0.00 0.00 54.58 55.56 3dpd n ASN 289 Cb 0.38 -0.21 -0.03 0.00 -1.54 0.00 0.00 39.78 38.39 3dpd n ASN 289 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3dpd s PHE 290 N -2.42 3.45 0.16 3.10 0.40 -1.08 -1.20 117.98 120.39 3dpd s PHE 290 Ca 0.28 1.46 -0.24 0.00 -0.60 0.00 0.00 56.93 57.83 3dpd s PHE 290 Cb 0.17 -3.15 0.04 0.00 0.51 0.00 0.00 43.02 40.59 3dpd s PHE 290 CO 0.36 -0.28 1.60 1.96 0.70 0.00 0.00 175.22 179.56 3dpd h GLN 291 N 7.25 -0.27 -0.55 0.44 1.08 -1.53 -2.15 115.11 119.39 3dpd h GLN 291 Ca -0.28 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.04 3dpd h GLN 291 Cb 1.12 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.54 3dpd h GLN 291 CO 0.88 -0.18 0.12 2.35 -0.95 0.00 0.00 178.83 181.04 3dpd h TRP 292 N -0.28 0.18 -0.57 2.96 2.91 -1.93 -0.94 115.95 118.27 3dpd h TRP 292 Ca 0.15 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.25 3dpd h TRP 292 Cb 0.53 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.13 3dpd h TRP 292 CO -0.49 -0.01 0.30 0.28 -1.03 0.00 0.00 178.44 177.48 3dpd h VAL 293 N 0.25 0.96 0.00 2.65 2.07 -1.74 0.90 116.25 121.34 3dpd h VAL 293 Ca 0.28 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 3dpd h VAL 293 Cb 0.39 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3dpd h VAL 293 CO -0.36 0.10 -0.03 0.03 0.02 0.00 0.00 177.57 177.33 3dpd h ARG 294 N 0.57 0.00 -0.05 1.57 3.08 -0.70 0.14 114.38 118.99 3dpd h ARG 294 Ca 0.25 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.15 3dpd h ARG 294 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3dpd h ARG 294 CO -0.17 0.03 -0.65 1.25 -1.07 0.00 0.00 179.97 179.36 3dpd h HIS 295 N 0.00 0.27 0.17 3.04 2.76 0.42 -1.92 115.15 119.88 3dpd h HIS 295 Ca -0.00 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 3dpd h HIS 295 Cb 0.05 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.97 3dpd h HIS 295 CO 0.00 0.79 -0.08 0.00 -1.30 0.00 0.00 177.93 177.35 3dpd h LEU 297 N -0.64 0.27 -0.01 0.00 3.38 -1.26 0.23 115.31 117.28 3dpd h LEU 297 Ca -0.02 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3dpd h LEU 297 Cb 0.47 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3dpd h LEU 297 CO 0.04 0.18 -0.50 0.50 0.09 0.00 0.00 178.44 178.75 3dpd h LYS 298 N 0.42 -0.60 -0.52 1.13 3.64 -1.34 0.80 116.57 120.10 3dpd h LYS 298 Ca 0.24 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3dpd h LYS 298 Cb 0.22 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3dpd h LYS 298 CO -0.22 -0.40 0.00 0.09 -2.27 0.00 0.00 179.45 176.65 3dpd n ASN 299 N -5.26 1.08 -3.62 4.20 4.13 -1.00 -4.92 115.26 109.87 3dpd n ASN 299 Ca -0.07 -2.06 -0.20 0.00 1.68 0.00 0.00 54.58 53.93 3dpd n ASN 299 Cb 0.37 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 3dpd n ASN 299 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dpd n GLY 300 N 0.37 -1.23 3.25 7.41 0.00 0.56 -5.00 105.19 110.56 3dpd n GLY 300 Ca 0.03 0.62 -0.14 0.00 0.00 0.00 0.00 46.02 46.53 3dpd n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpd s GLU 301 N -4.41 1.17 0.67 1.61 2.02 0.18 -5.00 118.70 114.93 3dpd s GLU 301 Ca 0.02 -1.58 -0.12 0.00 0.02 0.00 0.00 54.97 53.31 3dpd s GLU 301 Cb -0.00 -0.24 -0.00 0.00 0.10 0.00 0.00 34.13 33.98 3dpd s GLU 301 CO 0.87 -0.17 1.06 -1.21 0.02 0.00 0.00 175.26 175.82 3dpd s GLU 302 N -3.95 3.03 -0.83 1.61 2.02 -1.26 -4.51 118.70 114.82 3dpd s GLU 302 Ca 0.27 1.03 -0.00 0.00 0.02 0.00 0.00 54.97 56.29 3dpd s GLU 302 Cb 0.06 -2.00 0.20 0.00 0.10 0.00 0.00 34.13 32.50 3dpd s GLU 302 CO 0.06 -1.03 0.69 0.42 0.02 0.00 0.00 175.26 175.42 3dpd s ILE 303 N -2.88 3.95 0.16 -1.63 1.01 -1.26 -4.97 121.20 115.59 3dpd s ILE 303 Ca 0.60 -3.91 -0.21 0.00 0.00 0.00 0.00 60.65 57.13 3dpd s ILE 303 Cb -0.15 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 3dpd s ILE 303 CO 0.50 -1.05 0.70 -1.00 0.00 0.00 0.00 174.94 174.08 3dpd s HIS 304 N -1.29 3.77 -0.12 3.97 3.76 -1.25 -2.77 115.29 121.37 3dpd s HIS 304 Ca 0.26 1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 56.49 3dpd s HIS 304 Cb -0.08 -2.63 0.03 0.00 1.11 0.00 0.00 32.58 31.02 3dpd s HIS 304 CO -0.13 0.46 0.32 0.14 -0.85 0.00 0.00 174.74 174.68 3dpd s VAL 305 N -1.30 -0.00 0.21 -0.90 -7.23 -1.11 -3.16 120.40 106.91 3dpd s VAL 305 Ca 0.37 0.02 -0.27 0.00 -1.81 0.00 0.00 61.98 60.28 3dpd s VAL 305 Cb -0.19 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.21 3dpd s VAL 305 CO 0.22 0.01 0.86 0.54 -0.31 0.00 0.00 175.10 176.42 3dpd s VAL 306 N 0.31 4.23 -1.09 1.32 0.11 0.18 -1.16 120.40 124.31 3dpd s VAL 306 Ca -0.01 1.87 -0.15 0.00 -2.93 0.00 0.00 61.98 60.75 3dpd s VAL 306 Cb -0.03 -4.20 0.16 0.00 -1.53 0.00 0.00 36.38 30.78 3dpd s VAL 306 CO -0.01 0.47 1.30 -0.22 -3.33 0.00 0.00 175.10 173.31 3dpd s LEU 307 N -1.27 5.12 0.51 2.54 2.96 -0.88 -2.12 118.68 125.55 3dpd s LEU 307 Ca 0.39 -2.65 0.01 0.00 -0.22 0.00 0.00 54.13 51.67 3dpd s LEU 307 Cb -0.24 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 3dpd s LEU 307 CO 0.28 -0.85 0.01 1.51 -1.32 0.00 0.00 176.35 175.99 3dpd s ASP 308 N 3.08 4.15 0.32 3.68 -4.77 -1.09 -4.93 116.67 117.11 3dpd s ASP 308 Ca 0.38 -1.65 -0.16 0.00 -3.30 0.00 0.00 52.55 47.83 3dpd s ASP 308 Cb -0.04 0.53 -0.09 0.00 -1.09 0.00 0.00 42.92 42.23 3dpd s ASP 308 CO -0.04 -0.87 0.75 -0.89 0.70 0.00 0.00 175.17 174.82 3dpd s THR 309 N -2.88 4.65 0.33 2.11 2.01 -1.26 -1.16 115.64 119.44 3dpd s THR 309 Ca 0.06 1.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 3dpd s THR 309 Cb 0.01 -3.64 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 3dpd s THR 309 CO 0.03 -0.15 1.56 -2.65 -0.69 0.00 0.00 174.62 172.72 3dpd n PRO 310 N -0.27 2.71 -1.78 4.92 -0.02 -1.26 -4.84 135.00 134.46 3dpd n PRO 310 Ca 0.03 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 62.05 3dpd n PRO 310 Cb 0.53 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 3dpd n PRO 310 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dpd s PRO 311 N -1.16 4.14 -0.40 0.52 0.04 -1.26 -4.84 135.00 132.03 3dpd s PRO 311 Ca 0.59 2.56 -0.31 0.00 0.04 0.00 0.00 61.00 63.89 3dpd s PRO 311 Cb -0.48 -3.07 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 3dpd s PRO 311 CO 0.55 -0.68 2.30 -3.47 0.04 0.00 0.00 177.00 175.74 3dpd n ASP 312 N 3.32 2.32 0.00 6.66 2.03 -1.26 -4.78 116.55 124.84 3dpd n ASP 312 Ca 0.13 0.10 0.01 0.00 0.52 0.00 0.00 54.79 55.55 3dpd n ASP 312 Cb 0.36 -1.39 0.08 0.00 -0.72 0.00 0.00 41.12 39.45 3dpd n ASP 312 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3dpd n PRO 313 N 8.59 0.06 -0.01 -0.67 -0.04 -1.26 -1.24 135.00 140.43 3dpd n PRO 313 Ca 0.39 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 64.16 3dpd n PRO 313 Cb 0.35 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.87 3dpd n PRO 313 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dpd n ALA 314 N -1.19 2.58 0.30 0.55 0.00 -1.26 -3.53 120.51 117.96 3dpd n ALA 314 Ca 0.02 -0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.16 3dpd n ALA 314 Cb 0.02 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 18.40 3dpd n ALA 314 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dpd h LEU 315 N 2.01 0.00 -2.67 0.00 3.38 -1.55 -3.25 115.31 113.23 3dpd h LEU 315 Ca 0.00 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3dpd h LEU 315 Cb 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.09 3dpd h LEU 315 CO 0.00 0.02 0.19 0.47 0.09 0.00 0.00 178.44 179.22 3dpd n ASP 316 N -2.63 3.33 -4.76 -0.43 8.00 -1.23 -1.57 116.55 117.26 3dpd n ASP 316 Ca 0.02 -2.64 -0.36 0.00 0.71 0.00 0.00 54.79 52.52 3dpd n ASP 316 Cb 0.51 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 40.99 3dpd n ASP 316 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dpd s GLU 317 N -1.68 3.28 -0.04 -1.24 2.12 -1.23 -4.39 118.70 115.52 3dpd s GLU 317 Ca 0.27 1.83 0.01 0.00 0.36 0.00 0.00 54.97 57.44 3dpd s GLU 317 Cb 0.22 -2.12 -0.03 0.00 0.26 0.00 0.00 34.13 32.45 3dpd s GLU 317 CO 0.06 -0.96 -0.03 0.08 -0.54 0.00 0.00 175.26 173.87 3dpd s VAL 318 N -1.57 3.98 1.20 3.70 1.01 -1.26 -0.43 120.40 127.03 3dpd s VAL 318 Ca 0.72 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 3dpd s VAL 318 Cb -0.30 -2.70 0.24 0.00 0.00 0.00 0.00 36.38 33.61 3dpd s VAL 318 CO 0.34 0.50 0.51 -1.14 0.00 0.00 0.00 175.10 175.31 3dpd n ARG 319 N 1.84 -2.87 -2.28 2.72 0.63 -1.26 -4.85 116.66 110.59 3dpd n ARG 319 Ca -0.17 -0.84 -0.41 0.00 -0.92 0.00 0.00 57.85 55.51 3dpd n ARG 319 Cb 0.53 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.64 3dpd n ARG 319 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3dpd s LYS 320 N -4.05 3.19 0.50 -0.14 -2.85 -1.26 -5.12 119.74 110.02 3dpd s LYS 320 Ca 0.56 0.61 0.06 0.00 -1.00 0.00 0.00 55.97 56.20 3dpd s LYS 320 Cb -0.13 -4.18 0.01 0.00 -2.06 0.00 0.00 37.83 31.47 3dpd s LYS 320 CO 0.54 -2.06 0.35 -2.00 0.10 0.00 0.00 175.35 172.28 3dpd s GLU 321 N 5.79 2.29 -0.43 1.78 2.56 -1.26 -5.15 118.70 124.28 3dpd s GLU 321 Ca 0.58 -1.93 0.07 0.00 0.00 0.00 0.00 54.97 53.69 3dpd s GLU 321 Cb -0.13 -2.10 0.34 0.00 2.00 0.00 0.00 34.13 34.25 3dpd s GLU 321 CO 0.25 -0.46 1.23 0.28 -0.56 0.00 0.00 175.26 176.00 3dpd n VAL 352 N -1.62 0.00 -1.33 3.70 0.31 -0.40 -5.25 118.33 113.73 3dpd n VAL 352 Ca -0.01 -1.44 0.00 0.00 -0.01 0.00 0.00 64.34 62.87 3dpd n VAL 352 Cb 0.64 1.25 0.00 0.00 -0.91 0.00 0.00 33.84 34.82 3dpd n VAL 352 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3dpd n SER 353 N -0.05 0.05 0.00 4.52 7.64 -1.10 -4.91 113.62 119.77 3dpd n SER 353 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3dpd n SER 353 Cb 0.76 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 3dpd n SER 353 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dpd n LEU 354 N 0.00 0.00 -1.37 -3.43 -0.00 -1.24 -2.61 117.00 108.35 3dpd n LEU 354 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 3dpd n LEU 354 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.50 3dpd n LEU 354 CO 0.00 0.00 0.73 0.79 -0.00 0.00 0.00 177.39 178.91 3dpd n TRP 355 N 0.00 1.05 -2.38 1.47 8.01 -1.26 -4.44 117.44 119.89 3dpd n TRP 355 Ca 0.00 -0.87 -0.37 0.00 -1.31 0.00 0.00 57.50 54.96 3dpd n TRP 355 Cb 0.00 -0.46 0.02 0.00 -2.01 0.00 0.00 31.31 28.86 3dpd n TRP 355 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3dpd n ASP 356 N -0.04 6.66 -3.32 -0.99 9.92 -1.26 -4.82 116.55 122.70 3dpd n ASP 356 Ca 0.20 -3.75 -0.12 0.00 -0.53 0.00 0.00 54.79 50.59 3dpd n ASP 356 Cb 0.87 -0.94 -0.06 0.00 -0.64 0.00 0.00 41.12 40.35 3dpd n ASP 356 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dpd n ASP 358 N 4.56 1.50 -4.79 0.00 9.92 -1.26 -3.04 116.55 123.45 3dpd n ASP 358 Ca 0.08 -2.08 -0.36 0.00 -0.53 0.00 0.00 54.79 51.90 3dpd n ASP 358 Cb 0.48 -0.26 -0.06 0.00 -0.64 0.00 0.00 41.12 40.64 3dpd n ASP 358 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3dpd s ARG 359 N -1.65 4.43 0.44 -1.24 6.06 -1.26 -4.82 118.95 120.90 3dpd s ARG 359 Ca 0.15 1.36 -0.24 0.00 -2.50 0.00 0.00 55.73 54.50 3dpd s ARG 359 Cb 0.09 -2.66 -0.08 0.00 0.06 0.00 0.00 34.95 32.36 3dpd s ARG 359 CO 0.08 0.13 1.20 0.15 -2.50 0.00 0.00 175.30 174.36 3dpd s LYS 360 N -2.30 3.85 0.23 5.12 -0.14 -1.26 -2.11 119.74 123.13 3dpd s LYS 360 Ca 0.54 1.88 -0.30 0.00 -1.36 0.00 0.00 55.97 56.73 3dpd s LYS 360 Cb -0.19 -2.54 -0.09 0.00 -1.68 0.00 0.00 37.83 33.34 3dpd s LYS 360 CO 0.24 -0.51 1.09 0.12 -0.76 0.00 0.00 175.35 175.53 3dpd s PHE 361 N -1.44 3.62 0.02 3.18 5.36 -1.19 -4.81 117.98 122.71 3dpd s PHE 361 Ca 0.61 1.67 -0.03 0.00 -0.96 0.00 0.00 56.93 58.22 3dpd s PHE 361 Cb -0.31 -3.26 -0.02 0.00 -0.34 0.00 0.00 43.02 39.09 3dpd s PHE 361 CO 0.39 -0.50 0.03 -0.98 -1.46 0.00 0.00 175.22 172.70 3dpd s ARG 362 N -0.89 0.45 -0.01 10.12 1.70 -1.26 -0.79 118.95 128.27 3dpd s ARG 362 Ca 0.47 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 3dpd s ARG 362 Cb -0.30 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.26 3dpd s ARG 362 CO 0.37 -0.09 0.01 0.54 -1.08 0.00 0.00 175.30 175.05 3dpd s VAL 363 N -2.04 0.04 -0.31 4.99 0.11 -0.51 -4.24 120.40 118.43 3dpd s VAL 363 Ca -0.10 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 3dpd s VAL 363 Cb -0.05 -0.10 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 3dpd s VAL 363 CO -0.03 0.06 0.54 -0.75 -3.33 0.00 0.00 175.10 171.59 3dpd s LYS 364 N 0.54 3.84 -1.08 1.54 2.20 0.52 0.44 119.74 127.74 3dpd s LYS 364 Ca -0.05 0.10 -0.13 0.00 -0.36 0.00 0.00 55.97 55.53 3dpd s LYS 364 Cb -0.07 -3.74 0.20 0.00 -1.51 0.00 0.00 37.83 32.72 3dpd s LYS 364 CO -0.01 -0.52 1.19 0.42 -0.36 0.00 0.00 175.35 176.06 3dpd s ILE 365 N 2.41 5.35 0.16 5.43 -1.09 -0.88 -0.65 121.20 131.94 3dpd s ILE 365 Ca 0.21 -2.66 -0.15 0.00 -2.23 0.00 0.00 60.65 55.81 3dpd s ILE 365 Cb -0.15 -4.73 0.04 0.00 -1.58 0.00 0.00 42.46 36.03 3dpd s ILE 365 CO 0.12 -1.39 1.75 0.03 -1.23 0.00 0.00 174.94 174.22 3dpd h ARG 366 N 7.39 0.27 0.00 2.79 3.08 -1.51 -2.58 114.38 123.83 3dpd h ARG 366 Ca 0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3dpd h ARG 366 Cb 0.92 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3dpd h ARG 366 CO 1.08 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 180.57 3dpd n GLY 367 N -1.23 -0.13 3.12 0.04 0.00 -1.05 -0.61 105.19 105.32 3dpd n GLY 367 Ca 0.02 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 3dpd n GLY 367 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dpd s ILE 368 N -2.00 1.58 -0.25 -0.61 -4.36 -0.58 -0.57 121.20 114.41 3dpd s ILE 368 Ca 0.00 -0.74 0.02 0.00 -0.26 0.00 0.00 60.65 59.67 3dpd s ILE 368 Cb 0.00 -1.39 0.06 0.00 1.25 0.00 0.00 42.46 42.37 3dpd s ILE 368 CO 0.00 0.45 -0.10 -0.62 0.24 0.00 0.00 174.94 174.91 3dpd s ASP 369 N 0.51 4.17 -0.16 4.36 2.15 -0.62 -1.76 116.67 125.31 3dpd s ASP 369 Ca -0.17 -1.27 -0.03 0.00 0.43 0.00 0.00 52.55 51.51 3dpd s ASP 369 Cb -0.17 -1.43 -0.02 0.00 -0.30 0.00 0.00 42.92 41.00 3dpd s ASP 369 CO 0.06 -0.19 -0.04 -0.51 -0.17 0.00 0.00 175.17 174.32 3dpd s ILE 370 N 1.20 3.76 0.06 4.11 -1.16 0.16 -1.89 121.20 127.44 3dpd s ILE 370 Ca -0.07 -0.40 -0.18 0.00 -0.51 0.00 0.00 60.65 59.49 3dpd s ILE 370 Cb -0.19 -2.65 -0.08 0.00 0.61 0.00 0.00 42.46 40.15 3dpd s ILE 370 CO -0.06 0.48 1.29 -0.65 -2.81 0.00 0.00 174.94 173.20 3dpd h PRO 371 N 6.91 -0.38 -4.28 3.50 0.11 -1.83 -3.42 132.00 132.61 3dpd h PRO 371 Ca -0.32 0.03 -0.47 0.00 0.11 0.00 0.00 66.00 65.34 3dpd h PRO 371 Cb 1.19 0.09 -0.34 0.00 0.11 0.00 0.00 31.00 32.04 3dpd h PRO 371 CO 0.61 -0.25 -0.80 0.08 -0.21 0.00 0.00 178.00 177.44 3dpd s VAL 372 N -4.45 0.87 0.68 3.15 1.01 -1.26 -4.98 120.40 115.42 3dpd s VAL 372 Ca -0.09 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 3dpd s VAL 372 Cb 0.03 -0.84 0.15 0.00 0.00 0.00 0.00 36.38 35.72 3dpd s VAL 372 CO 0.32 0.31 0.35 -0.11 0.00 0.00 0.00 175.10 175.96 3dpd n LEU 373 N 4.11 0.00 0.00 3.92 7.94 -1.26 -5.10 117.00 126.61 3dpd n LEU 373 Ca -0.21 -0.35 0.00 0.00 -1.11 0.00 0.00 56.01 54.34 3dpd n LEU 373 Cb 0.51 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.97 3dpd n LEU 373 CO 0.23 -2.07 0.00 0.18 -1.11 0.00 0.00 177.39 174.62 3dpd n LEU 379 N 0.00 0.00 -5.01 -1.96 7.99 -1.26 -5.18 117.00 111.58 3dpd n LEU 379 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.88 3dpd n LEU 379 Cb 0.24 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.56 3dpd n LEU 379 CO 0.16 0.00 0.17 0.28 -1.51 0.00 0.00 177.39 176.48 3dpd s THR 380 N 0.00 2.91 -0.16 -5.08 -1.32 -1.26 -2.85 115.64 107.88 3dpd s THR 380 Ca 0.00 -1.01 -0.11 0.00 -1.21 0.00 0.00 61.69 59.37 3dpd s THR 380 Cb 0.00 -2.91 0.05 0.00 -1.51 0.00 0.00 72.50 68.13 3dpd s THR 380 CO 0.00 0.00 0.39 -0.69 -2.21 0.00 0.00 174.62 172.11 3dpd s VAL 381 N -2.38 -0.02 0.11 5.08 1.01 -0.55 0.12 120.40 123.76 3dpd s VAL 381 Ca 0.56 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.65 3dpd s VAL 381 Cb -0.09 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3dpd s VAL 381 CO 0.34 0.02 -0.13 0.72 0.00 0.00 0.00 175.10 176.05 3dpd s PHE 382 N 0.93 1.30 -0.07 5.22 -0.71 -1.07 -2.98 117.98 120.59 3dpd s PHE 382 Ca -0.06 -0.55 -0.11 0.00 -1.04 0.00 0.00 56.93 55.17 3dpd s PHE 382 Cb -0.06 -0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 41.01 3dpd s PHE 382 CO -0.07 0.10 0.26 0.08 -1.34 0.00 0.00 175.22 174.25 3dpd s VAL 383 N -2.01 5.29 -0.33 -2.49 1.01 -1.26 -2.42 120.40 118.20 3dpd s VAL 383 Ca 0.06 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.56 3dpd s VAL 383 Cb -0.06 -3.54 0.10 0.00 0.00 0.00 0.00 36.38 32.88 3dpd s VAL 383 CO 0.02 0.59 0.06 -0.70 0.00 0.00 0.00 175.10 175.07 3dpd s GLU 384 N -0.96 1.25 0.07 2.72 2.12 0.49 -2.48 118.70 121.92 3dpd s GLU 384 Ca 0.19 -1.60 -0.24 0.00 0.36 0.00 0.00 54.97 53.68 3dpd s GLU 384 Cb -0.14 -2.81 -0.06 0.00 0.26 0.00 0.00 34.13 31.38 3dpd s GLU 384 CO 0.08 -0.94 0.74 0.00 -0.54 0.00 0.00 175.26 174.60 3dpd s ALA 385 N 1.14 3.41 -0.04 6.30 0.00 -1.09 -2.19 121.76 129.30 3dpd s ALA 385 Ca 0.10 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.32 3dpd s ALA 385 Cb -0.18 -2.94 0.03 0.00 0.00 0.00 0.00 23.12 20.02 3dpd s ALA 385 CO -0.13 0.15 0.01 -0.80 0.00 0.00 0.00 175.76 174.99 3dpd s ASN 386 N -0.40 0.63 -0.59 0.00 0.01 -0.23 -1.76 114.94 112.60 3dpd s ASN 386 Ca 0.36 -0.02 -0.25 0.00 -0.71 0.00 0.00 52.86 52.24 3dpd s ASN 386 Cb -0.21 -0.24 0.04 0.00 0.41 0.00 0.00 41.25 41.25 3dpd s ASN 386 CO 0.23 -0.13 1.04 -0.63 -1.51 0.00 0.00 177.10 176.11 3dpd s ILE 387 N 1.24 4.22 0.28 0.60 -1.09 -0.21 -1.34 121.20 124.89 3dpd s ILE 387 Ca -0.07 0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.80 3dpd s ILE 387 Cb -0.13 -4.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.07 3dpd s ILE 387 CO -0.02 -1.29 0.30 -1.10 -1.23 0.00 0.00 174.94 171.59 3dpd s GLN 388 N 4.41 3.04 -0.30 2.79 -0.21 0.45 -0.17 119.66 129.68 3dpd s GLN 388 Ca 0.33 -1.02 -0.03 0.00 0.02 0.00 0.00 55.36 54.66 3dpd s GLN 388 Cb -0.11 -2.67 0.19 0.00 1.00 0.00 0.00 33.01 31.42 3dpd s GLN 388 CO 0.19 0.30 0.72 -1.58 -2.12 0.00 0.00 175.29 172.80 3dpd s HIS 389 N -2.13 -1.37 -1.18 0.91 2.46 0.22 -0.11 115.29 114.09 3dpd s HIS 389 Ca 0.36 1.24 -0.03 0.00 0.47 0.00 0.00 55.06 57.11 3dpd s HIS 389 Cb -0.08 0.40 -0.02 0.00 -0.13 0.00 0.00 32.58 32.75 3dpd s HIS 389 CO 0.27 -0.77 0.91 0.41 -2.47 0.00 0.00 174.74 173.10 3dpd n GLY 390 N 5.41 -0.58 3.34 1.59 0.00 -1.26 -0.83 105.19 112.86 3dpd n GLY 390 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3dpd n GLY 390 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dpd n GLN 391 N -3.94 -0.92 -3.37 1.61 6.02 -1.22 -4.42 117.38 111.15 3dpd n GLN 391 Ca -0.23 0.20 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 3dpd n GLN 391 Cb 0.66 -4.34 -0.09 0.00 1.02 0.00 0.00 30.24 27.49 3dpd n GLN 391 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3dpd s GLN 392 N -1.27 3.68 -0.20 -1.09 0.74 -0.01 -5.05 119.66 116.46 3dpd s GLN 392 Ca 0.00 -0.27 -0.26 0.00 0.05 0.00 0.00 55.36 54.88 3dpd s GLN 392 Cb 0.00 -3.77 -0.01 0.00 1.10 0.00 0.00 33.01 30.33 3dpd s GLN 392 CO 0.00 -0.49 0.90 0.54 -0.55 0.00 0.00 175.29 175.68 3dpd s VAL 393 N 2.10 4.81 0.00 1.34 0.11 -1.26 -0.61 120.40 126.90 3dpd s VAL 393 Ca 0.14 1.74 0.00 0.00 -2.93 0.00 0.00 61.98 60.93 3dpd s VAL 393 Cb -0.16 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.50 3dpd s VAL 393 CO 0.12 -0.06 0.00 0.18 -3.33 0.00 0.00 175.10 172.01 3dpd n LEU 394 N 5.73 1.02 -4.69 2.54 4.77 0.76 -5.01 117.00 122.12 3dpd n LEU 394 Ca 0.07 0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 3dpd n LEU 394 Cb 0.48 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3dpd n LEU 394 CO 0.49 -0.12 -0.26 0.00 -1.33 0.00 0.00 177.39 176.17 3dpd s GLN 396 N -3.76 0.84 0.29 0.00 -2.07 -1.26 -1.05 119.66 112.65 3dpd s GLN 396 Ca 0.34 0.69 0.02 0.00 -1.82 0.00 0.00 55.36 54.59 3dpd s GLN 396 Cb -0.04 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 3dpd s GLN 396 CO 0.21 -0.16 0.13 1.03 -1.32 0.00 0.00 175.29 175.19 3dpd s ARG 397 N -0.14 1.52 0.30 9.60 1.81 -0.72 -4.98 118.95 126.34 3dpd s ARG 397 Ca -0.04 -1.85 0.03 0.00 -1.72 0.00 0.00 55.73 52.15 3dpd s ARG 397 Cb -0.03 -0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.27 3dpd s ARG 397 CO 0.03 -0.39 0.28 1.03 -0.68 0.00 0.00 175.30 175.58 3dpd s ARG 398 N -3.91 1.64 0.10 3.54 0.52 -1.26 -2.66 118.95 116.92 3dpd s ARG 398 Ca 0.36 -1.86 0.07 0.00 -0.52 0.00 0.00 55.73 53.79 3dpd s ARG 398 Cb 0.06 0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.83 3dpd s ARG 398 CO 0.16 -0.61 -0.19 0.95 0.02 0.00 0.00 175.30 175.63 3dpd s THR 399 N -3.58 1.57 0.14 0.02 -4.23 -1.03 -4.98 115.64 103.55 3dpd s THR 399 Ca 0.38 -1.51 -0.35 0.00 -1.18 0.00 0.00 61.69 59.04 3dpd s THR 399 Cb 0.03 -1.46 -0.15 0.00 1.34 0.00 0.00 72.50 72.26 3dpd s THR 399 CO 0.22 -0.12 1.51 -1.54 -0.54 0.00 0.00 174.62 174.16 3dpd n SER 400 N 1.08 2.69 -4.57 3.99 3.41 -1.26 -4.53 113.62 114.43 3dpd n SER 400 Ca -0.20 1.09 -0.39 0.00 -0.26 0.00 0.00 58.87 59.12 3dpd n SER 400 Cb 0.54 -1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 3dpd n SER 400 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3dpd s PRO 401 N 0.80 2.58 0.33 4.33 0.02 -1.26 -4.81 135.00 136.98 3dpd s PRO 401 Ca 0.80 1.60 0.08 0.00 0.02 0.00 0.00 61.00 63.50 3dpd s PRO 401 Cb -0.76 -4.48 -0.03 0.00 0.02 0.00 0.00 34.50 29.26 3dpd s PRO 401 CO 0.40 -2.74 0.25 0.15 -0.33 0.00 0.00 177.00 174.74 3dpd s LYS 402 N 7.35 2.66 0.33 5.54 1.02 -1.16 -4.89 119.74 130.58 3dpd s LYS 402 Ca 0.96 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.33 3dpd s LYS 402 Cb -0.23 -2.42 -0.11 0.00 -0.52 0.00 0.00 37.83 34.55 3dpd s LYS 402 CO 0.30 0.12 1.55 -1.25 -0.92 0.00 0.00 175.35 175.15 3dpd s PRO 403 N -3.95 4.11 -0.74 -1.68 0.04 -1.26 -1.49 135.00 130.03 3dpd s PRO 403 Ca 0.39 2.59 -0.24 0.00 0.04 0.00 0.00 61.00 63.78 3dpd s PRO 403 Cb -0.05 -3.00 0.05 0.00 0.04 0.00 0.00 34.50 31.55 3dpd s PRO 403 CO 0.25 -0.60 1.16 0.12 0.04 0.00 0.00 177.00 177.97 3dpd s PHE 404 N -0.49 2.50 0.25 0.56 5.36 -1.13 -4.74 117.98 120.28 3dpd s PHE 404 Ca 0.59 -0.38 0.04 0.00 -0.96 0.00 0.00 56.93 56.22 3dpd s PHE 404 Cb -0.47 -4.48 -0.05 0.00 -0.34 0.00 0.00 43.02 37.67 3dpd s PHE 404 CO 0.55 -1.87 -0.01 0.95 -1.46 0.00 0.00 175.22 173.38 3dpd s THR 405 N 4.85 1.19 0.55 0.12 -4.23 -1.26 -4.96 115.64 111.90 3dpd s THR 405 Ca 0.30 -2.05 0.44 0.00 -1.18 0.00 0.00 61.69 59.20 3dpd s THR 405 Cb -0.11 -2.38 0.66 0.00 1.34 0.00 0.00 72.50 72.00 3dpd s THR 405 CO 0.10 -0.31 1.67 -0.33 -0.54 0.00 0.00 174.62 175.21 3dpd h GLU 406 N 2.41 0.01 -3.44 3.99 4.39 -1.92 -3.34 114.58 116.68 3dpd h GLU 406 Ca -0.39 -0.00 -0.32 0.00 0.34 0.00 0.00 59.36 58.99 3dpd h GLU 406 Cb 1.23 -0.00 -0.36 0.00 -0.10 0.00 0.00 28.75 29.52 3dpd h GLU 406 CO 0.65 0.01 -0.73 -2.00 -1.16 0.00 0.00 179.01 175.78 3dpd s GLU 407 N -4.92 -0.05 -0.31 2.33 2.12 -1.26 -0.67 118.70 115.94 3dpd s GLU 407 Ca -0.05 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.54 3dpd s GLU 407 Cb 0.26 -0.33 0.10 0.00 0.26 0.00 0.00 34.13 34.41 3dpd s GLU 407 CO 0.86 -0.22 0.08 0.08 -0.54 0.00 0.00 175.26 175.51 3dpd s VAL 408 N 1.45 1.16 0.85 3.70 1.01 -0.72 -5.00 120.40 122.84 3dpd s VAL 408 Ca -0.04 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.27 3dpd s VAL 408 Cb -0.13 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.52 3dpd s VAL 408 CO -0.03 -0.62 1.21 -0.76 0.00 0.00 0.00 175.10 174.90 3dpd s LEU 409 N 1.48 2.56 0.00 3.92 1.43 -1.26 -1.53 118.68 125.28 3dpd s LEU 409 Ca 0.09 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3dpd s LEU 409 Cb -0.18 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3dpd s LEU 409 CO -0.21 -2.11 0.00 0.79 0.23 0.00 0.00 176.35 175.06 3dpd n TRP 410 N -3.42 -2.15 -1.81 0.29 8.01 0.21 -4.86 117.44 113.71 3dpd n TRP 410 Ca 0.10 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.18 3dpd n TRP 410 Cb 0.61 0.45 -0.03 0.00 -2.01 0.00 0.00 31.31 30.33 3dpd n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3dpd n ASN 411 N -2.40 -3.18 -4.62 -0.99 5.15 -0.97 -4.89 115.26 103.36 3dpd n ASN 411 Ca 0.00 0.25 -0.39 0.00 -0.60 0.00 0.00 54.58 53.84 3dpd n ASN 411 Cb 0.00 -2.90 -0.09 0.00 -0.53 0.00 0.00 39.78 36.27 3dpd n ASN 411 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dpd s VAL 412 N -2.19 5.18 0.25 3.44 1.01 -1.23 -4.88 120.40 121.97 3dpd s VAL 412 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3dpd s VAL 412 Cb 0.00 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3dpd s VAL 412 CO 0.00 0.18 1.24 0.26 0.00 0.00 0.00 175.10 176.78 3dpd s TRP 413 N 1.89 3.31 -0.39 5.22 0.52 -1.26 -2.08 118.94 126.16 3dpd s TRP 413 Ca 0.16 1.42 -0.10 0.00 0.02 0.00 0.00 56.10 57.60 3dpd s TRP 413 Cb -0.15 -3.52 0.05 0.00 -1.15 0.00 0.00 33.47 28.70 3dpd s TRP 413 CO 0.09 -1.44 0.21 -0.51 0.02 0.00 0.00 176.95 175.32 3dpd s LEU 414 N -0.84 4.82 -0.27 2.99 1.43 0.17 -4.94 118.68 122.04 3dpd s LEU 414 Ca 0.51 -1.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.21 3dpd s LEU 414 Cb -0.35 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3dpd s LEU 414 CO 0.42 -0.43 0.59 -0.70 0.23 0.00 0.00 176.35 176.46 3dpd s GLU 415 N 1.48 4.02 0.81 1.70 2.56 -1.26 -1.43 118.70 126.58 3dpd s GLU 415 Ca 0.02 0.38 -0.04 0.00 0.00 0.00 0.00 54.97 55.33 3dpd s GLU 415 Cb -0.21 -3.68 0.17 0.00 2.00 0.00 0.00 34.13 32.41 3dpd s GLU 415 CO 0.04 -0.44 1.11 -0.06 -0.56 0.00 0.00 175.26 175.35 3dpd s PHE 416 N 2.47 1.27 -0.06 5.30 0.40 0.03 -4.97 117.98 122.42 3dpd s PHE 416 Ca 0.24 -0.23 0.21 0.00 -0.60 0.00 0.00 56.93 56.55 3dpd s PHE 416 Cb -0.15 -3.29 -0.32 0.00 0.51 0.00 0.00 43.02 39.77 3dpd s PHE 416 CO 0.10 -2.10 0.44 0.45 0.70 0.00 0.00 175.22 174.81 3dpd n SER 417 N -3.13 0.03 -2.94 1.36 2.88 -1.26 -4.58 113.62 105.98 3dpd n SER 417 Ca 0.17 0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 3dpd n SER 417 Cb 0.60 1.80 0.08 0.00 -0.75 0.00 0.00 64.21 65.94 3dpd n SER 417 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dpd n ILE 418 N -2.35 0.00 -4.09 2.46 3.06 -1.26 -4.89 119.36 112.29 3dpd n ILE 418 Ca -0.08 -0.07 -0.12 0.00 -2.50 0.00 0.00 62.75 59.98 3dpd n ILE 418 Cb 0.65 -0.68 -0.11 0.00 0.54 0.00 0.00 39.64 40.05 3dpd n ILE 418 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3dpd s LYS 419 N -3.67 0.60 0.27 9.51 1.02 -1.26 -3.20 119.74 123.01 3dpd s LYS 419 Ca 0.20 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 3dpd s LYS 419 Cb -0.03 -0.21 0.47 0.00 -0.52 0.00 0.00 37.83 37.55 3dpd s LYS 419 CO 0.16 0.01 1.84 0.82 -0.92 0.00 0.00 175.35 177.27 3dpd h ILE 420 N 4.01 0.97 0.00 2.17 1.08 -1.53 -0.41 117.51 123.79 3dpd h ILE 420 Ca -0.35 -0.34 -0.07 0.00 -0.39 0.00 0.00 64.86 63.70 3dpd h ILE 420 Cb 1.19 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3dpd h ILE 420 CO 0.49 0.18 -0.33 0.07 -0.69 0.00 0.00 178.15 177.87 3dpd h LYS 421 N 1.00 0.00 0.00 2.37 2.10 -1.83 -2.90 116.57 117.31 3dpd h LYS 421 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 3dpd h LYS 421 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3dpd h LYS 421 CO -0.23 0.33 0.00 -0.25 -2.00 0.00 0.00 179.45 177.30 3dpd n ASP 422 N -3.72 0.74 -4.68 7.07 8.00 -0.19 -4.53 116.55 119.24 3dpd n ASP 422 Ca -0.01 0.57 -0.42 0.00 0.71 0.00 0.00 54.79 55.64 3dpd n ASP 422 Cb 0.43 -0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 3dpd n ASP 422 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dpd s LEU 423 N -4.40 4.37 0.29 0.64 1.43 -1.03 -4.17 118.68 115.81 3dpd s LEU 423 Ca 0.11 2.49 -0.18 0.00 -1.03 0.00 0.00 54.13 55.52 3dpd s LEU 423 Cb 0.13 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 3dpd s LEU 423 CO 0.59 -0.91 0.76 -2.16 0.23 0.00 0.00 176.35 174.86 3dpd s PRO 424 N 2.95 4.15 -0.71 1.29 0.04 -1.26 -4.96 135.00 136.49 3dpd s PRO 424 Ca 0.75 0.82 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 3dpd s PRO 424 Cb -0.40 -2.60 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 3dpd s PRO 424 CO 0.33 0.24 2.31 0.21 0.04 0.00 0.00 177.00 180.13 3dpd s LYS 425 N -2.56 1.94 0.00 4.56 2.47 -1.26 0.28 119.74 125.17 3dpd s LYS 425 Ca 0.50 0.66 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 3dpd s LYS 425 Cb -0.13 -4.73 0.00 0.00 -1.46 0.00 0.00 37.83 31.51 3dpd s LYS 425 CO 0.19 -3.85 0.00 0.41 0.16 0.00 0.00 175.35 172.26 3dpd n GLY 426 N 6.50 0.96 3.53 5.54 0.00 -1.26 -4.69 105.19 115.76 3dpd n GLY 426 Ca 0.41 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.95 3dpd n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpd n ALA 427 N 0.00 -1.30 -2.79 4.61 0.00 0.14 -4.85 120.51 116.32 3dpd n ALA 427 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 3dpd n ALA 427 Cb 0.00 -1.90 -0.16 0.00 0.00 0.00 0.00 19.45 17.39 3dpd n ALA 427 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dpd s LEU 428 N 1.18 2.00 -0.64 0.00 0.20 0.84 -2.12 118.68 120.14 3dpd s LEU 428 Ca 0.66 -0.43 -0.21 0.00 0.69 0.00 0.00 54.13 54.84 3dpd s LEU 428 Cb -0.84 -1.17 0.09 0.00 -0.43 0.00 0.00 46.19 43.84 3dpd s LEU 428 CO 0.57 0.20 0.85 -0.22 -0.29 0.00 0.00 176.35 177.46 3dpd s LEU 429 N -0.09 4.89 -0.29 -0.68 2.96 0.28 -0.41 118.68 125.33 3dpd s LEU 429 Ca -0.03 -1.25 -0.18 0.00 -0.22 0.00 0.00 54.13 52.45 3dpd s LEU 429 Cb -0.12 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 3dpd s LEU 429 CO 0.03 -1.28 0.53 0.21 -1.32 0.00 0.00 176.35 174.52 3dpd s ASN 430 N 3.65 6.40 -0.18 3.68 3.84 -0.45 -0.53 114.94 131.35 3dpd s ASN 430 Ca 0.18 0.34 -0.06 0.00 0.21 0.00 0.00 52.86 53.53 3dpd s ASN 430 Cb -0.20 -2.28 -0.03 0.00 -0.55 0.00 0.00 41.25 38.19 3dpd s ASN 430 CO 0.07 -0.37 0.02 -0.76 -2.79 0.00 0.00 177.10 173.27 3dpd s LEU 431 N 2.38 3.53 0.10 3.21 1.43 0.24 -1.06 118.68 128.50 3dpd s LEU 431 Ca 0.21 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 3dpd s LEU 431 Cb -0.15 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3dpd s LEU 431 CO 0.11 0.15 -0.08 -1.10 0.23 0.00 0.00 176.35 175.66 3dpd s GLN 432 N 0.49 0.84 -0.12 1.70 -0.21 -0.93 -0.10 119.66 121.32 3dpd s GLN 432 Ca 0.00 -1.24 -0.00 0.00 0.02 0.00 0.00 55.36 54.14 3dpd s GLN 432 Cb -0.13 -0.38 0.03 0.00 1.00 0.00 0.00 33.01 33.53 3dpd s GLN 432 CO 0.02 0.03 -0.07 0.42 -2.12 0.00 0.00 175.29 173.57 3dpd s ILE 433 N -3.00 1.04 0.07 1.08 1.01 0.72 -0.38 121.20 121.75 3dpd s ILE 433 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3dpd s ILE 433 Cb 0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3dpd s ILE 433 CO -0.02 0.32 0.09 -0.31 0.00 0.00 0.00 174.94 175.03 3dpd s TYR 434 N 1.70 3.24 0.00 3.97 2.02 -1.02 0.04 117.35 127.30 3dpd s TYR 434 Ca 0.04 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.85 3dpd s TYR 434 Cb -0.13 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 3dpd s TYR 434 CO -0.08 0.53 0.00 0.00 -1.57 0.00 0.00 175.55 174.43 3dpd n GLY 436 N 5.00 5.82 0.00 0.00 0.00 0.12 -4.68 105.19 111.45 3dpd n GLY 436 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.34 3dpd n GLY 436 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dpd n ARG 459 N -0.40 0.00 -2.68 1.61 1.85 -1.26 -4.53 116.66 111.24 3dpd n ARG 459 Ca 0.42 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.87 3dpd n ARG 459 Cb 0.45 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.81 3dpd n ARG 459 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3dpd s LEU 460 N -4.14 4.59 0.10 2.89 2.96 -1.26 -4.05 118.68 119.77 3dpd s LEU 460 Ca 0.00 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 3dpd s LEU 460 Cb 0.00 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.08 3dpd s LEU 460 CO 0.00 0.03 0.00 0.18 -1.32 0.00 0.00 176.35 175.24 3dpd n LEU 461 N 1.78 0.74 -4.20 -0.68 4.77 0.11 -4.78 117.00 114.74 3dpd n LEU 461 Ca -0.01 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 55.85 3dpd n LEU 461 Cb 0.47 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.22 3dpd n LEU 461 CO 0.51 -0.62 -0.53 -0.31 -1.33 0.00 0.00 177.39 175.12 3dpd s TYR 462 N -2.00 1.93 0.03 -1.77 2.02 -1.17 -0.49 117.35 115.90 3dpd s TYR 462 Ca 0.00 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 3dpd s TYR 462 Cb 0.00 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3dpd s TYR 462 CO 0.00 -0.12 -0.07 1.52 -1.57 0.00 0.00 175.55 175.31 3dpd s TYR 463 N -0.22 0.64 0.01 2.71 -0.85 -0.26 -0.20 117.35 119.17 3dpd s TYR 463 Ca 0.01 -0.35 -0.15 0.00 -0.52 0.00 0.00 57.07 56.06 3dpd s TYR 463 Cb -0.10 -0.39 0.02 0.00 0.38 0.00 0.00 41.96 41.87 3dpd s TYR 463 CO 0.01 -0.05 0.31 0.54 -1.52 0.00 0.00 175.55 174.85 3dpd s VAL 464 N -0.93 0.07 0.27 -3.49 0.11 0.85 -1.44 120.40 115.84 3dpd s VAL 464 Ca -0.05 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 58.53 3dpd s VAL 464 Cb -0.07 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 3dpd s VAL 464 CO 0.00 -0.30 -0.11 0.20 -3.33 0.00 0.00 175.10 171.56 3dpd s ASN 465 N -1.63 2.95 -0.25 3.54 0.01 -1.26 0.80 114.94 119.10 3dpd s ASN 465 Ca -0.10 -1.12 -0.08 0.00 -0.71 0.00 0.00 52.86 50.85 3dpd s ASN 465 Cb -0.03 -0.20 0.12 0.00 0.41 0.00 0.00 41.25 41.54 3dpd s ASN 465 CO 0.01 -0.22 0.53 -0.22 -1.51 0.00 0.00 177.10 175.69 3dpd s LEU 466 N -3.44 -0.92 -0.25 0.60 2.96 0.30 -4.81 118.68 113.13 3dpd s LEU 466 Ca 0.28 1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 55.11 3dpd s LEU 466 Cb 0.01 1.82 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 3dpd s LEU 466 CO 0.12 -0.23 1.87 -0.76 -1.32 0.00 0.00 176.35 176.02 3dpd s LEU 467 N 2.75 3.65 0.25 -0.68 1.43 -1.26 1.00 118.68 125.81 3dpd s LEU 467 Ca -0.01 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 3dpd s LEU 467 Cb -0.12 -3.52 0.37 0.00 0.03 0.00 0.00 46.19 42.95 3dpd s LEU 467 CO -0.16 -1.61 1.84 -0.07 0.23 0.00 0.00 176.35 176.58 3dpd h LEU 468 N 13.31 0.82 -9.03 1.79 3.38 -1.75 -3.38 115.31 120.45 3dpd h LEU 468 Ca -0.37 0.03 -0.64 0.00 0.09 0.00 0.00 57.88 56.99 3dpd h LEU 468 Cb 1.19 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.61 3dpd h LEU 468 CO 1.00 0.51 -0.62 -0.63 0.09 0.00 0.00 178.44 178.79 3dpd s ILE 469 N -6.04 4.32 0.74 1.22 1.01 -1.25 0.54 121.20 121.73 3dpd s ILE 469 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3dpd s ILE 469 Cb 0.19 -2.90 0.14 0.00 0.01 0.00 0.00 42.46 39.90 3dpd s ILE 469 CO 0.79 0.51 1.01 1.51 0.00 0.00 0.00 174.94 178.76 3dpd s ASP 470 N 0.10 4.25 0.66 3.58 1.47 -0.47 -4.67 116.67 121.59 3dpd s ASP 470 Ca 0.02 -0.50 0.34 0.00 1.18 0.00 0.00 52.55 53.58 3dpd s ASP 470 Cb -0.13 0.20 1.83 0.00 -0.34 0.00 0.00 42.92 44.48 3dpd s ASP 470 CO 0.02 -1.94 2.05 1.12 0.68 0.00 0.00 175.17 177.09 3dpd h HIS 471 N -0.56 0.00 -0.62 2.11 -0.00 -1.96 0.51 115.15 114.62 3dpd h HIS 471 Ca -0.34 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 59.87 3dpd h HIS 471 Cb 1.26 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.58 3dpd h HIS 471 CO -0.24 0.00 0.18 0.54 -0.00 0.00 0.00 177.93 178.41 3dpd n ARG 472 N -3.04 3.60 -2.12 5.12 1.74 -1.26 -4.91 116.66 115.79 3dpd n ARG 472 Ca -0.02 -3.08 -0.15 0.00 -0.77 0.00 0.00 57.85 53.83 3dpd n ARG 472 Cb 0.31 -2.14 -0.03 0.00 -1.02 0.00 0.00 32.46 29.58 3dpd n ARG 472 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dpd n PHE 473 N -0.20 -0.96 -4.12 -1.55 3.01 0.17 -4.94 117.46 108.87 3dpd n PHE 473 Ca 0.36 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.47 3dpd n PHE 473 Cb 1.27 -3.09 -0.08 0.00 -0.01 0.00 0.00 39.48 37.57 3dpd n PHE 473 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dpd s LEU 474 N -5.24 3.93 0.21 4.37 1.43 -1.25 -1.84 118.68 120.29 3dpd s LEU 474 Ca 0.00 0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 3dpd s LEU 474 Cb 0.00 -1.94 -0.10 0.00 0.03 0.00 0.00 46.19 44.18 3dpd s LEU 474 CO 0.00 0.36 1.55 -0.22 0.23 0.00 0.00 176.35 178.26 3dpd s LEU 475 N -0.72 4.37 0.64 1.79 2.96 -1.13 -1.37 118.68 125.22 3dpd s LEU 475 Ca 0.12 2.70 -0.17 0.00 -0.22 0.00 0.00 54.13 56.56 3dpd s LEU 475 Cb -0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3dpd s LEU 475 CO 0.03 -0.81 1.17 -0.60 -1.32 0.00 0.00 176.35 174.81 3dpd s ARG 476 N 0.48 2.75 0.09 1.98 3.52 0.19 -4.91 118.95 123.04 3dpd s ARG 476 Ca 0.66 1.66 -0.26 0.00 -0.13 0.00 0.00 55.73 57.66 3dpd s ARG 476 Cb -0.44 -1.92 0.08 0.00 -1.56 0.00 0.00 34.95 31.11 3dpd s ARG 476 CO 0.37 -1.34 0.84 0.50 -0.81 0.00 0.00 175.30 174.85 3dpd s ARG 477 N -3.70 1.08 0.12 5.12 6.06 -1.26 -4.95 118.95 121.42 3dpd s ARG 477 Ca 0.73 -0.48 0.00 0.00 -2.50 0.00 0.00 55.73 53.48 3dpd s ARG 477 Cb -0.26 0.45 0.00 0.00 0.06 0.00 0.00 34.95 35.19 3dpd s ARG 477 CO 0.38 -0.48 0.00 0.41 -2.50 0.00 0.00 175.30 173.11 3dpd n GLY 478 N -0.35 -1.85 3.86 8.12 0.00 -1.23 -4.90 105.19 108.84 3dpd n GLY 478 Ca -0.09 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 3dpd n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpd s GLU 479 N 0.00 3.78 -0.07 1.61 0.41 -1.26 -1.39 118.70 121.79 3dpd s GLU 479 Ca 0.00 0.22 -0.05 0.00 -0.41 0.00 0.00 54.97 54.74 3dpd s GLU 479 Cb 0.00 -3.10 0.02 0.00 -1.78 0.00 0.00 34.13 29.27 3dpd s GLU 479 CO 0.00 0.63 0.17 0.71 -0.49 0.00 0.00 175.26 176.28 3dpd s TYR 480 N -1.24 -0.19 -0.55 1.61 1.51 -1.05 -5.02 117.35 112.41 3dpd s TYR 480 Ca 0.28 0.48 0.06 0.00 -1.01 0.00 0.00 57.07 56.87 3dpd s TYR 480 Cb -0.15 0.03 0.21 0.00 -0.11 0.00 0.00 41.96 41.93 3dpd s TYR 480 CO 0.15 -0.12 0.53 0.28 -1.11 0.00 0.00 175.55 175.28 3dpd n VAL 481 N 3.41 0.63 -2.68 0.71 0.31 -1.26 -1.26 118.33 118.19 3dpd n VAL 481 Ca -0.17 -4.42 -0.40 0.00 -0.01 0.00 0.00 64.34 59.33 3dpd n VAL 481 Cb 0.57 -1.99 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 3dpd n VAL 481 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dpd s LEU 482 N -1.29 4.57 -0.36 7.52 1.02 -0.94 -4.78 118.68 124.43 3dpd s LEU 482 Ca 0.33 1.96 -0.17 0.00 0.02 0.00 0.00 54.13 56.27 3dpd s LEU 482 Cb 0.07 -3.60 -0.00 0.00 0.02 0.00 0.00 46.19 42.67 3dpd s LEU 482 CO -0.12 0.01 0.43 -1.00 0.02 0.00 0.00 176.35 175.68 3dpd s HIS 483 N -0.72 3.19 0.76 0.29 3.76 -1.26 -1.35 115.29 119.97 3dpd s HIS 483 Ca 0.44 0.01 -0.12 0.00 -0.15 0.00 0.00 55.06 55.24 3dpd s HIS 483 Cb -0.26 -2.79 0.04 0.00 1.11 0.00 0.00 32.58 30.68 3dpd s HIS 483 CO 0.33 -0.51 1.11 -1.64 -0.85 0.00 0.00 174.74 173.18 3dpd s MET 484 N 2.17 2.44 0.03 1.40 1.00 -0.51 0.14 119.30 125.97 3dpd s MET 484 Ca 0.14 0.44 0.00 0.00 0.00 0.00 0.00 55.69 56.28 3dpd s MET 484 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 34.83 32.65 3dpd s MET 484 CO 0.13 -1.33 0.14 -1.58 0.00 0.00 0.00 175.02 172.37 3dpd s TRP 485 N -3.34 3.38 -0.20 -0.03 0.52 -0.52 -4.38 118.94 114.38 3dpd s TRP 485 Ca 0.60 0.22 -0.07 0.00 0.02 0.00 0.00 56.10 56.87 3dpd s TRP 485 Cb -0.12 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 3dpd s TRP 485 CO 0.52 0.58 0.05 -1.14 0.02 0.00 0.00 176.95 176.98 3dpd s GLN 486 N -2.15 3.84 0.38 4.98 0.74 -1.26 -1.11 119.66 125.08 3dpd s GLN 486 Ca 0.29 -0.41 -0.27 0.00 0.05 0.00 0.00 55.36 55.02 3dpd s GLN 486 Cb -0.12 -3.21 -0.11 0.00 1.10 0.00 0.00 33.01 30.67 3dpd s GLN 486 CO 0.21 0.12 1.31 -0.89 -0.55 0.00 0.00 175.29 175.50 3dpd n ILE 487 N 3.97 2.25 0.10 -2.34 2.08 0.36 -5.01 119.36 120.77 3dpd n ILE 487 Ca -0.16 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.42 3dpd n ILE 487 Cb 0.52 -1.64 -0.14 0.00 -0.75 0.00 0.00 39.64 37.64 3dpd n ILE 487 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 3dpd h SER 488 N 2.41 0.87 0.00 4.38 0.87 -1.96 -3.50 113.55 116.62 3dpd h SER 488 Ca -0.48 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.26 3dpd h SER 488 Cb 1.28 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3dpd h SER 488 CO 0.62 1.63 0.00 0.49 -0.53 0.00 0.00 176.83 179.04 3dpd n PHE 497 N -3.77 0.00 -3.86 2.24 0.99 -1.26 -5.14 117.46 106.67 3dpd n PHE 497 Ca -0.14 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.06 3dpd n PHE 497 Cb 1.01 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.48 3dpd n PHE 497 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3dpd s ASN 498 N 0.00 4.67 0.36 4.37 2.20 -1.26 -4.59 114.94 120.69 3dpd s ASN 498 Ca 0.00 -1.16 0.27 0.00 -0.94 0.00 0.00 52.86 51.03 3dpd s ASN 498 Cb 0.00 0.19 1.01 0.00 -2.00 0.00 0.00 41.25 40.45 3dpd s ASN 498 CO 0.00 -0.99 1.80 0.00 -2.94 0.00 0.00 177.10 174.97 3dpd h ALA 499 N 0.85 1.00 0.00 3.54 0.00 -1.29 -3.05 119.26 120.32 3dpd h ALA 499 Ca -0.38 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3dpd h ALA 499 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3dpd h ALA 499 CO 0.58 0.00 -0.41 -0.44 0.00 0.00 0.00 179.25 178.98 3dpd h ASP 500 N 0.00 0.00 0.10 0.00 5.19 -1.95 -2.70 116.42 117.06 3dpd h ASP 500 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3dpd h ASP 500 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3dpd h ASP 500 CO 0.00 0.41 0.00 0.29 -3.12 0.00 0.00 179.24 176.82 3dpd n LYS 501 N -3.35 0.81 0.00 3.56 5.02 -1.15 -2.99 118.16 120.06 3dpd n LYS 501 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 3dpd n LYS 501 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 3dpd n LYS 501 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dpd n LEU 502 N -1.05 1.24 -4.77 -0.35 4.77 -1.02 -4.95 117.00 110.86 3dpd n LEU 502 Ca 0.20 -0.54 -0.41 0.00 -0.03 0.00 0.00 56.01 55.23 3dpd n LEU 502 Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3dpd n LEU 502 CO 0.17 0.28 1.12 1.07 -1.33 0.00 0.00 177.39 178.70 3dpd n THR 503 N -1.10 2.04 1.15 -5.08 5.66 -1.16 -4.93 114.28 110.85 3dpd n THR 503 Ca 0.06 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.68 3dpd n THR 503 Cb 0.37 -1.94 0.35 0.00 -1.55 0.00 0.00 70.33 67.55 3dpd n THR 503 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3dpd n SER 504 N 0.44 0.75 -4.81 1.09 3.41 -1.26 -4.32 113.62 108.92 3dpd n SER 504 Ca 0.02 -0.58 -0.32 0.00 -0.26 0.00 0.00 58.87 57.73 3dpd n SER 504 Cb 0.39 0.15 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 3dpd n SER 504 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpd s ALA 505 N -2.71 2.67 0.23 7.33 0.00 -1.26 -4.78 121.76 123.24 3dpd s ALA 505 Ca 0.19 0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.47 3dpd s ALA 505 Cb 0.19 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3dpd s ALA 505 CO 0.59 -1.09 0.07 0.95 0.00 0.00 0.00 175.76 176.28 3dpd s THR 506 N -2.77 3.91 -0.16 0.00 -4.23 -1.26 -4.69 115.64 106.44 3dpd s THR 506 Ca 0.61 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 59.26 3dpd s THR 506 Cb -0.15 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.59 3dpd s THR 506 CO 0.47 -0.28 1.68 0.21 -0.54 0.00 0.00 174.62 176.16 3dpd s ASN 507 N -3.50 6.41 0.00 3.99 3.84 0.37 -4.86 114.94 121.19 3dpd s ASN 507 Ca 0.31 1.86 0.15 0.00 0.21 0.00 0.00 52.86 55.39 3dpd s ASN 507 Cb -0.08 -2.53 0.75 0.00 -0.55 0.00 0.00 41.25 38.84 3dpd s ASN 507 CO 0.21 -1.20 1.44 -0.81 -2.79 0.00 0.00 177.10 173.96 3dpd n PRO 508 N 7.56 0.18 -2.34 0.43 -0.04 -1.26 -4.20 135.00 135.34 3dpd n PRO 508 Ca 0.19 0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 3dpd n PRO 508 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 3dpd n PRO 508 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3dpd n ASP 509 N -1.32 4.84 0.00 3.54 -0.08 -1.26 -4.78 116.55 117.48 3dpd n ASP 509 Ca 0.07 -3.01 0.06 0.00 -1.51 0.00 0.00 54.79 50.40 3dpd n ASP 509 Cb 0.13 -1.56 0.38 0.00 2.34 0.00 0.00 41.12 42.42 3dpd n ASP 509 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3dpd n LYS 510 N 5.03 0.39 -0.08 -0.67 5.02 -1.26 -1.94 118.16 124.65 3dpd n LYS 510 Ca 0.43 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 3dpd n LYS 510 Cb 0.39 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.74 3dpd n LYS 510 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dpd n GLU 511 N -1.02 0.68 0.00 1.97 1.02 -1.26 -4.65 120.64 117.38 3dpd n GLU 511 Ca 0.09 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3dpd n GLU 511 Cb 0.05 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3dpd n GLU 511 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dpd n ASN 512 N -2.80 0.51 -4.81 1.62 3.02 -1.15 -4.73 115.26 106.91 3dpd n ASN 512 Ca -0.29 -0.41 -0.35 0.00 -0.03 0.00 0.00 54.58 53.51 3dpd n ASN 512 Cb 1.12 0.91 -0.06 0.00 -0.61 0.00 0.00 39.78 41.13 3dpd n ASN 512 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dpd s SER 513 N -1.01 7.05 0.53 6.41 1.04 -0.82 -4.76 113.70 122.14 3dpd s SER 513 Ca 0.00 1.59 -0.21 0.00 0.48 0.00 0.00 55.95 57.81 3dpd s SER 513 Cb 0.00 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.57 3dpd s SER 513 CO 0.00 -0.15 1.23 -0.32 0.98 0.00 0.00 173.24 174.97 3dpd s MET 514 N -2.54 3.32 0.11 4.02 1.75 -1.26 -4.58 119.30 120.12 3dpd s MET 514 Ca 0.53 1.91 0.10 0.00 -1.25 0.00 0.00 55.69 56.97 3dpd s MET 514 Cb -0.14 -2.19 -0.04 0.00 2.84 0.00 0.00 34.83 35.30 3dpd s MET 514 CO 0.19 -0.95 -0.26 0.45 -0.65 0.00 0.00 175.02 173.80 3dpd s SER 515 N -1.35 3.14 -0.15 1.11 0.15 -0.79 -1.42 113.70 114.40 3dpd s SER 515 Ca 0.71 -0.71 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 3dpd s SER 515 Cb -0.32 -0.21 0.04 0.00 -1.71 0.00 0.00 66.02 63.82 3dpd s SER 515 CO 0.37 0.17 -0.03 -0.51 1.20 0.00 0.00 173.24 174.44 3dpd s ILE 516 N -1.04 0.86 -0.20 6.45 1.10 -0.45 -1.60 121.20 126.32 3dpd s ILE 516 Ca 0.12 -0.43 -0.13 0.00 -0.51 0.00 0.00 60.65 59.71 3dpd s ILE 516 Cb -0.10 -1.06 -0.05 0.00 0.15 0.00 0.00 42.46 41.40 3dpd s ILE 516 CO 0.05 0.13 0.25 -0.44 -2.11 0.00 0.00 174.94 172.82 3dpd s SER 517 N 1.75 6.30 0.31 4.50 0.01 0.26 -2.20 113.70 124.62 3dpd s SER 517 Ca 0.02 0.34 0.05 0.00 1.31 0.00 0.00 55.95 57.66 3dpd s SER 517 Cb -0.15 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 3dpd s SER 517 CO -0.07 0.06 0.22 0.27 0.41 0.00 0.00 173.24 174.13 3dpd s ILE 518 N 0.83 0.10 -0.13 1.44 -4.36 -0.39 -1.36 121.20 117.33 3dpd s ILE 518 Ca 0.13 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 3dpd s ILE 518 Cb -0.13 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.13 3dpd s ILE 518 CO 0.04 0.00 0.35 -0.22 0.24 0.00 0.00 174.94 175.35 3dpd s LEU 519 N -3.35 0.52 -0.14 0.37 2.96 0.18 -2.54 118.68 116.67 3dpd s LEU 519 Ca 0.38 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.98 3dpd s LEU 519 Cb 0.04 1.17 -0.02 0.00 0.50 0.00 0.00 46.19 47.87 3dpd s LEU 519 CO 0.22 -0.14 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.28 3dpd s LEU 520 N 0.50 3.08 0.08 -0.68 1.02 -0.48 -0.36 118.68 121.84 3dpd s LEU 520 Ca -0.03 -0.18 -0.21 0.00 0.02 0.00 0.00 54.13 53.73 3dpd s LEU 520 Cb -0.04 -1.72 -0.12 0.00 0.02 0.00 0.00 46.19 44.33 3dpd s LEU 520 CO -0.03 0.18 0.48 -0.90 0.02 0.00 0.00 176.35 176.10 3dpd n ASP 521 N 3.44 -0.50 -4.69 2.29 5.75 -1.26 -3.50 116.55 118.08 3dpd n ASP 521 Ca -0.18 0.74 -0.39 0.00 -0.01 0.00 0.00 54.79 54.95 3dpd n ASP 521 Cb 0.53 -0.61 -0.06 0.00 -1.03 0.00 0.00 41.12 39.95 3dpd n ASP 521 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3dpd s ASN 522 N -0.40 6.74 0.00 -1.12 -0.87 -1.26 -4.61 114.94 113.42 3dpd s ASN 522 Ca 0.48 0.89 0.00 0.00 -1.57 0.00 0.00 52.86 52.67 3dpd s ASN 522 Cb -0.69 -2.34 0.00 0.00 -0.02 0.00 0.00 41.25 38.20 3dpd s ASN 522 CO 0.37 -0.15 0.00 -1.22 -2.57 0.00 0.00 177.10 173.52 3dpd n TYR 523 N 4.37 0.00 0.00 2.20 4.02 -1.26 -5.14 117.16 121.34 3dpd n TYR 523 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3dpd n TYR 523 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3dpd n TYR 523 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dpd n HIS 525 N -1.38 -1.94 -2.06 0.00 8.25 -1.26 -4.84 115.22 111.99 3dpd n HIS 525 Ca 0.00 -1.42 -0.41 0.00 -0.26 0.00 0.00 57.72 55.63 3dpd n HIS 525 Cb 0.00 1.40 -0.02 0.00 1.12 0.00 0.00 29.99 32.50 3dpd n HIS 525 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3dpd s PRO 526 N 0.28 4.29 -0.01 -0.41 0.02 -1.26 -1.28 135.00 136.63 3dpd s PRO 526 Ca 0.25 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.55 3dpd s PRO 526 Cb 0.26 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.75 3dpd s PRO 526 CO -0.14 -0.26 -0.07 0.42 -0.33 0.00 0.00 177.00 176.61 3dpd s ILE 527 N -1.15 0.60 -0.42 2.83 1.01 -1.07 -2.83 121.20 120.16 3dpd s ILE 527 Ca 0.50 -0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.59 3dpd s ILE 527 Cb -0.41 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.57 3dpd s ILE 527 CO 0.54 0.18 0.98 0.00 0.00 0.00 0.00 174.94 176.64 3dpd s ALA 528 N 0.00 3.31 0.17 9.38 0.00 -0.77 -3.64 121.76 130.21 3dpd s ALA 528 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3dpd s ALA 528 Cb -0.05 -3.65 -0.08 0.00 0.00 0.00 0.00 23.12 19.34 3dpd s ALA 528 CO -0.00 -1.88 1.20 -0.51 0.00 0.00 0.00 175.76 174.57 3dpd s LEU 529 N 3.77 4.44 -0.67 0.00 1.43 -1.26 -4.88 118.68 121.52 3dpd s LEU 529 Ca 0.40 2.21 -0.26 0.00 -1.03 0.00 0.00 54.13 55.46 3dpd s LEU 529 Cb -0.10 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 3dpd s LEU 529 CO 0.24 -0.39 2.06 -2.84 0.23 0.00 0.00 176.35 175.65 3dpd s PRO 530 N -0.07 2.38 0.15 1.29 0.02 -1.26 -4.90 135.00 132.61 3dpd s PRO 530 Ca 0.54 0.58 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 3dpd s PRO 530 Cb -0.32 -4.62 -0.17 0.00 0.02 0.00 0.00 34.50 29.40 3dpd s PRO 530 CO 0.36 -3.19 0.62 1.63 -0.33 0.00 0.00 177.00 176.09 3dpd n LYS 531 N 9.04 0.00 0.07 5.54 5.02 -1.26 -5.31 118.16 131.26 3dpd n LYS 531 Ca 0.31 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.39 3dpd n LYS 531 Cb 0.51 -1.08 -0.13 0.00 -0.02 0.00 0.00 35.03 34.31 3dpd n LYS 531 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3dpd h HIS 532 N 1.39 0.81 -4.22 2.13 2.07 -2.02 -3.54 115.15 111.78 3dpd h HIS 532 Ca -0.32 -0.53 0.00 0.00 -2.85 0.00 0.00 60.37 56.67 3dpd h HIS 532 Cb 1.39 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.32 3dpd h HIS 532 CO 0.44 1.38 -0.84 0.39 -3.07 0.00 0.00 177.93 176.23 3dpd n GLU 546 N -3.96 -4.86 -3.53 5.12 -0.58 -1.26 -5.17 120.64 106.41 3dpd n GLU 546 Ca -0.14 3.44 -0.12 0.00 -0.42 0.00 0.00 57.16 59.93 3dpd n GLU 546 Cb 0.90 -3.82 -0.04 0.00 -0.57 0.00 0.00 31.44 27.91 3dpd n GLU 546 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dpd s MET 547 N -0.84 0.84 -0.04 3.49 0.23 -1.26 -5.14 119.30 116.58 3dpd s MET 547 Ca 0.00 -0.01 -0.38 0.00 -1.03 0.00 0.00 55.69 54.27 3dpd s MET 547 Cb 0.00 0.39 -0.17 0.00 -1.53 0.00 0.00 34.83 33.52 3dpd s MET 547 CO 0.00 -0.31 1.43 -2.30 -2.03 0.00 0.00 175.02 171.82 3dpd n PRO 548 N 0.40 1.00 -0.28 3.16 -0.02 -1.26 -4.67 135.00 133.32 3dpd n PRO 548 Ca -0.13 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 3dpd n PRO 548 Cb 0.59 -2.00 0.24 0.00 -0.02 0.00 0.00 33.50 32.31 3dpd n PRO 548 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3dpd h ASN 549 N 5.15 0.30 0.05 2.55 2.35 -2.00 0.83 115.58 124.81 3dpd h ASN 549 Ca -0.48 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.40 3dpd h ASN 549 Cb 1.34 0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.82 3dpd h ASN 549 CO 0.82 0.07 -0.03 -0.61 -1.65 0.00 0.00 177.43 176.03 3dpd h GLN 550 N 0.44 0.00 0.17 0.81 -0.00 -1.99 0.31 115.11 114.85 3dpd h GLN 550 Ca 0.48 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.79 3dpd h GLN 550 Cb 0.80 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.29 3dpd h GLN 550 CO -0.46 0.03 -1.65 -0.07 0.00 0.00 0.00 178.83 176.68 3dpd h LEU 551 N 0.00 0.57 0.11 -2.39 4.07 0.13 -2.98 115.31 114.81 3dpd h LEU 551 Ca -0.00 -0.80 0.02 0.00 0.08 0.00 0.00 57.88 57.18 3dpd h LEU 551 Cb 0.06 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 3dpd h LEU 551 CO 0.00 1.66 -0.21 -0.09 -1.08 0.00 0.00 178.44 178.73 3dpd h ARG 552 N 0.10 -0.38 -0.15 1.13 9.65 0.65 0.11 114.38 125.49 3dpd h ARG 552 Ca -0.30 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.65 3dpd h ARG 552 Cb 2.08 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 30.74 3dpd h ARG 552 CO 0.19 -0.25 0.11 0.87 2.80 0.00 0.00 179.97 183.68 3dpd h LYS 553 N -0.40 0.00 -0.02 0.20 1.79 -1.10 -0.02 116.57 117.02 3dpd h LYS 553 Ca 0.03 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.27 3dpd h LYS 553 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3dpd h LYS 553 CO -0.12 0.00 -0.91 0.37 -1.08 0.00 0.00 179.45 177.71 3dpd h GLN 554 N 0.00 0.48 -0.07 3.15 4.15 -0.97 -2.47 115.11 119.39 3dpd h GLN 554 Ca 0.07 -0.48 -0.03 0.00 0.77 0.00 0.00 58.65 58.98 3dpd h GLN 554 Cb 0.29 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 3dpd h GLN 554 CO -0.00 1.13 -0.07 1.25 -1.93 0.00 0.00 178.83 179.21 3dpd h LEU 555 N 0.29 0.18 -0.73 -2.39 5.85 0.16 -3.02 115.31 115.64 3dpd h LEU 555 Ca -0.08 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 58.24 3dpd h LEU 555 Cb 1.54 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.45 3dpd h LEU 555 CO 0.16 0.63 0.39 -0.33 -0.34 0.00 0.00 178.44 178.95 3dpd h GLU 556 N -0.28 0.64 0.00 1.25 5.08 -1.10 0.12 114.58 120.30 3dpd h GLU 556 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dpd h GLU 556 Cb 0.59 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3dpd h GLU 556 CO 0.02 0.43 -0.01 0.00 -1.00 0.00 0.00 179.01 178.44 3dpd h ALA 557 N 1.42 1.84 0.14 3.43 0.00 -1.41 -0.50 119.26 124.19 3dpd h ALA 557 Ca 0.35 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.00 3dpd h ALA 557 Cb 0.33 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.15 3dpd h ALA 557 CO -0.25 0.01 -1.08 0.82 0.00 0.00 0.00 179.25 178.76 3dpd h ILE 558 N 0.00 1.37 -0.39 0.00 2.04 -0.91 -3.33 117.51 116.30 3dpd h ILE 558 Ca -0.00 -2.48 -0.12 0.00 1.00 0.00 0.00 64.86 63.27 3dpd h ILE 558 Cb 0.02 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3dpd h ILE 558 CO 0.00 0.73 -0.23 0.40 0.00 0.00 0.00 178.15 179.05 3dpd h ILE 559 N 0.00 1.27 -0.39 -0.67 2.04 -0.53 -3.13 117.51 116.10 3dpd h ILE 559 Ca -0.17 -1.35 -0.23 0.00 1.00 0.00 0.00 64.86 64.11 3dpd h ILE 559 Cb 1.80 1.22 -0.12 0.00 -0.74 0.00 0.00 36.82 38.99 3dpd h ILE 559 CO 0.20 0.45 0.29 0.00 0.00 0.00 0.00 178.15 179.10 3dpd n ALA 560 N -2.50 4.22 -2.79 1.87 0.00 -0.26 -4.73 120.51 116.32 3dpd n ALA 560 Ca -0.00 -1.23 -0.23 0.00 0.00 0.00 0.00 53.44 51.98 3dpd n ALA 560 Cb 0.44 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 3dpd n ALA 560 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dpd s THR 561 N -1.54 4.29 0.85 0.00 2.01 -1.19 -5.02 115.64 115.05 3dpd s THR 561 Ca 0.24 -1.42 -0.11 0.00 0.31 0.00 0.00 61.69 60.71 3dpd s THR 561 Cb 0.19 -3.29 0.11 0.00 0.01 0.00 0.00 72.50 69.52 3dpd s THR 561 CO 0.02 -0.30 1.10 1.51 -0.69 0.00 0.00 174.62 176.26 3dpd s ASP 562 N -3.66 3.75 0.28 3.53 -4.77 -1.26 -4.95 116.67 109.59 3dpd s ASP 562 Ca 0.32 1.73 -0.03 0.00 -3.30 0.00 0.00 52.55 51.27 3dpd s ASP 562 Cb -0.08 -2.39 0.37 0.00 -1.09 0.00 0.00 42.92 39.74 3dpd s ASP 562 CO 0.24 -2.50 1.94 -0.65 0.70 0.00 0.00 175.17 174.90 3dpd h PRO 563 N -1.45 1.19 0.00 2.11 0.11 -1.94 -3.04 132.00 128.97 3dpd h PRO 563 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3dpd h PRO 563 Cb 1.26 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dpd h PRO 563 CO 0.51 0.78 0.00 -0.07 -0.21 0.00 0.00 178.00 179.02 3dpd h LEU 564 N 1.22 0.00 -9.19 2.35 3.38 -1.95 -3.44 115.31 107.68 3dpd h LEU 564 Ca 0.35 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.76 3dpd h LEU 564 Cb -0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3dpd h LEU 564 CO -0.09 0.00 0.86 0.21 0.09 0.00 0.00 178.44 179.52 3dpd s ASN 565 N -4.65 6.96 1.21 -0.43 2.47 -1.15 -5.01 114.94 114.34 3dpd s ASN 565 Ca 0.07 1.73 -0.19 0.00 0.42 0.00 0.00 52.86 54.90 3dpd s ASN 565 Cb 0.10 -2.54 0.29 0.00 -1.45 0.00 0.00 41.25 37.65 3dpd s ASN 565 CO 0.52 -0.73 1.08 -2.16 -3.72 0.00 0.00 177.10 172.10 3dpd s PRO 566 N 3.22 -1.25 -0.09 0.43 0.04 -1.26 -4.92 135.00 131.17 3dpd s PRO 566 Ca 0.55 0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.66 3dpd s PRO 566 Cb -0.23 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.75 3dpd s PRO 566 CO 0.17 -3.75 -0.13 -0.51 0.04 0.00 0.00 177.00 172.81 3dpd s LEU 567 N -7.01 1.64 0.96 -3.56 1.43 -1.26 -5.13 118.68 105.75 3dpd s LEU 567 Ca 0.70 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 3dpd s LEU 567 Cb -0.12 -0.96 0.16 0.00 0.03 0.00 0.00 46.19 45.30 3dpd s LEU 567 CO 0.57 0.01 1.14 0.42 0.23 0.00 0.00 176.35 178.72 3dpd s THR 568 N 0.92 1.96 0.21 5.49 -4.23 -1.26 -4.79 115.64 113.94 3dpd s THR 568 Ca -0.09 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.34 3dpd s THR 568 Cb -0.15 -2.71 0.15 0.00 1.34 0.00 0.00 72.50 71.12 3dpd s THR 568 CO 0.00 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.85 3dpd h ALA 569 N -1.67 1.00 -0.17 3.99 0.00 -2.00 -1.24 119.26 119.17 3dpd h ALA 569 Ca -0.50 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.26 3dpd h ALA 569 Cb 1.32 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3dpd h ALA 569 CO 0.57 0.63 -0.16 1.49 0.00 0.00 0.00 179.25 181.78 3dpd h GLU 570 N 1.12 -0.17 0.11 0.00 4.57 -1.98 0.15 114.58 118.37 3dpd h GLU 570 Ca 0.26 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 3dpd h GLU 570 Cb 0.22 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 3dpd h GLU 570 CO -0.02 -0.12 -0.47 -0.44 -1.18 0.00 0.00 179.01 176.78 3dpd h ASP 571 N -0.18 -1.41 -0.43 1.04 3.45 -1.76 0.40 116.42 117.53 3dpd h ASP 571 Ca 0.11 0.15 0.05 0.00 0.43 0.00 0.00 57.03 57.77 3dpd h ASP 571 Cb 0.34 0.53 -0.05 0.00 -0.56 0.00 0.00 39.33 39.59 3dpd h ASP 571 CO -0.28 -0.52 0.17 0.11 -1.57 0.00 0.00 179.24 177.15 3dpd h LYS 572 N -0.70 0.34 -0.11 3.56 1.57 -0.89 0.20 116.57 120.53 3dpd h LYS 572 Ca 0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3dpd h LYS 572 Cb 0.72 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3dpd h LYS 572 CO -0.27 0.22 -0.17 1.49 -0.57 0.00 0.00 179.45 180.15 3dpd h GLU 573 N 0.35 0.18 -0.15 3.15 4.81 -0.50 0.19 114.58 122.60 3dpd h GLU 573 Ca 0.20 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3dpd h GLU 573 Cb 0.17 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3dpd h GLU 573 CO -0.19 0.35 -0.20 1.25 -0.73 0.00 0.00 179.01 179.48 3dpd h LEU 574 N 0.17 0.43 0.01 1.64 5.85 0.08 -2.65 115.31 120.84 3dpd h LEU 574 Ca 0.03 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 3dpd h LEU 574 Cb 0.40 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3dpd h LEU 574 CO 0.03 0.86 -0.01 0.25 -0.34 0.00 0.00 178.44 179.23 3dpd h LEU 575 N 0.01 -0.01 0.11 2.25 5.85 -0.26 -3.03 115.31 120.23 3dpd h LEU 575 Ca 0.02 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3dpd h LEU 575 Cb 0.77 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3dpd h LEU 575 CO 0.05 0.03 -0.08 -0.25 -0.34 0.00 0.00 178.44 177.85 3dpd h TRP 576 N -0.05 -0.22 -0.65 1.25 2.91 -1.02 -3.05 115.95 115.13 3dpd h TRP 576 Ca -0.00 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.18 3dpd h TRP 576 Cb 0.05 0.08 -0.12 0.00 -0.51 0.00 0.00 29.16 28.66 3dpd h TRP 576 CO -0.07 -0.11 -0.05 1.58 -1.03 0.00 0.00 178.44 178.76 3dpd n HIS 577 N -2.72 0.35 -1.75 2.65 -0.00 -1.00 0.12 115.22 112.87 3dpd n HIS 577 Ca -0.02 0.78 -0.33 0.00 0.46 0.00 0.00 57.72 58.61 3dpd n HIS 577 Cb 0.08 -0.95 -0.01 0.00 -0.12 0.00 0.00 29.99 28.99 3dpd n HIS 577 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3dpd n PHE 578 N -4.92 2.24 0.03 1.57 0.99 -1.15 -4.79 117.46 111.43 3dpd n PHE 578 Ca 0.14 -2.18 -0.06 0.00 -0.00 0.00 0.00 57.45 55.35 3dpd n PHE 578 Cb 0.44 -1.33 -0.04 0.00 -1.00 0.00 0.00 39.48 37.55 3dpd n PHE 578 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3dpd h ARG 579 N 3.18 -0.25 -0.57 -1.08 -0.00 0.93 -0.76 114.38 115.84 3dpd h ARG 579 Ca 0.49 0.02 0.11 0.00 -0.50 0.00 0.00 59.98 60.10 3dpd h ARG 579 Cb 0.41 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 30.40 3dpd h ARG 579 CO 1.14 -0.16 0.39 1.88 0.00 0.00 0.00 179.97 183.22 3dpd h TYR 580 N -0.25 0.32 -0.03 3.04 -1.99 -1.86 0.16 116.97 116.36 3dpd h TYR 580 Ca 0.00 0.01 -0.16 0.00 2.00 0.00 0.00 58.73 60.58 3dpd h TYR 580 Cb 0.27 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 3dpd h TYR 580 CO -0.39 0.15 -0.72 1.49 -0.00 0.00 0.00 178.16 178.68 3dpd h GLU 581 N 0.30 0.18 0.00 4.88 4.57 -1.88 -2.39 114.58 120.24 3dpd h GLU 581 Ca 0.27 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3dpd h GLU 581 Cb 0.66 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 3dpd h GLU 581 CO -0.06 0.82 -0.06 0.43 -1.18 0.00 0.00 179.01 178.96 3dpd n SER 582 N -3.77 0.14 0.18 1.04 7.64 -0.18 -3.08 113.62 115.60 3dpd n SER 582 Ca -0.03 0.43 0.12 0.00 1.01 0.00 0.00 58.87 60.40 3dpd n SER 582 Cb 0.70 -0.44 0.20 0.00 -1.01 0.00 0.00 64.21 63.66 3dpd n SER 582 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3dpd h LEU 583 N 0.00 0.00 -0.20 -3.43 5.85 -0.50 -3.20 115.31 113.82 3dpd h LEU 583 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3dpd h LEU 583 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3dpd h LEU 583 CO 0.00 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.39 3dpd n LYS 584 N -2.87 1.14 -3.80 1.25 5.02 -1.18 -4.54 118.16 113.18 3dpd n LYS 584 Ca 0.04 -0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 55.83 3dpd n LYS 584 Cb 0.51 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.92 3dpd n LYS 584 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dpd s HIS 585 N -1.99 2.22 0.32 2.13 3.76 -1.21 -5.00 115.29 115.52 3dpd s HIS 585 Ca 0.42 -2.13 0.10 0.00 -0.15 0.00 0.00 55.06 53.30 3dpd s HIS 585 Cb 0.20 -2.02 0.92 0.00 1.11 0.00 0.00 32.58 32.79 3dpd s HIS 585 CO 0.33 -0.88 1.69 -1.35 -0.85 0.00 0.00 174.74 173.68 3dpd h PRO 586 N 7.79 0.42 0.00 8.40 0.11 -1.84 0.67 132.00 147.54 3dpd h PRO 586 Ca -0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3dpd h PRO 586 Cb 1.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3dpd h PRO 586 CO 0.49 0.28 0.00 1.63 -0.21 0.00 0.00 178.00 180.18 3dpd n LYS 587 N -5.00 0.03 0.04 1.05 5.02 -1.26 -1.68 118.16 116.35 3dpd n LYS 587 Ca 0.28 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.98 3dpd n LYS 587 Cb 0.82 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 3dpd n LYS 587 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dpd n ALA 588 N -1.33 2.96 -0.01 7.82 0.00 0.23 -4.59 120.51 125.60 3dpd n ALA 588 Ca 0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 3dpd n ALA 588 Cb 0.02 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 3dpd n ALA 588 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dpd h TYR 589 N 0.00 -1.32 -0.20 0.00 -1.99 -1.41 0.93 116.97 112.98 3dpd h TYR 589 Ca 0.00 0.05 0.05 0.00 2.00 0.00 0.00 58.73 60.83 3dpd h TYR 589 Cb 0.90 0.60 -0.07 0.00 2.00 0.00 0.00 36.73 40.16 3dpd h TYR 589 CO 0.00 -0.50 -0.41 -1.35 -0.00 0.00 0.00 178.16 175.90 3dpd h PRO 590 N -0.51 -0.43 -0.30 4.88 0.11 -1.81 0.18 132.00 134.13 3dpd h PRO 590 Ca 0.07 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3dpd h PRO 590 Cb 0.64 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 3dpd h PRO 590 CO -0.42 -0.28 0.12 0.87 -0.21 0.00 0.00 178.00 178.08 3dpd h LYS 591 N -0.44 0.41 -0.03 1.05 6.56 -1.74 -2.97 116.57 119.41 3dpd h LYS 591 Ca 0.09 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 3dpd h LYS 591 Cb 0.61 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.19 3dpd h LYS 591 CO -0.44 0.34 -0.02 1.25 -2.06 0.00 0.00 179.45 178.53 3dpd h LEU 592 N 0.41 0.06 0.00 2.94 5.85 0.29 -3.12 115.31 121.75 3dpd h LEU 592 Ca 0.10 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.40 3dpd h LEU 592 Cb 0.08 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3dpd h LEU 592 CO -0.01 0.48 0.00 0.49 -0.34 0.00 0.00 178.44 179.06 3dpd n PHE 593 N -4.84 0.00 1.01 1.25 3.01 0.44 -1.82 117.46 116.51 3dpd n PHE 593 Ca -0.08 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.49 3dpd n PHE 593 Cb 0.24 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.68 3dpd n PHE 593 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3dpd n SER 594 N -1.00 1.69 -1.14 4.37 7.64 -1.13 -3.83 113.62 120.21 3dpd n SER 594 Ca 0.18 -1.33 0.12 0.00 1.01 0.00 0.00 58.87 58.84 3dpd n SER 594 Cb 0.08 0.62 0.21 0.00 -1.01 0.00 0.00 64.21 64.12 3dpd n SER 594 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3dpd n SER 595 N -0.49 3.40 -4.77 6.43 7.64 -0.76 -4.93 113.62 120.14 3dpd n SER 595 Ca 0.08 -1.99 -0.39 0.00 1.01 0.00 0.00 58.87 57.57 3dpd n SER 595 Cb 0.42 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 3dpd n SER 595 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dpd s VAL 596 N -1.54 4.50 -1.03 0.44 1.01 -1.25 -4.77 120.40 117.76 3dpd s VAL 596 Ca 0.38 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.85 3dpd s VAL 596 Cb 0.23 -4.11 0.17 0.00 0.00 0.00 0.00 36.38 32.67 3dpd s VAL 596 CO 0.32 0.48 1.18 -0.54 0.00 0.00 0.00 175.10 176.54 3dpd s LYS 597 N -0.84 3.83 0.09 2.72 1.02 -1.26 -4.85 119.74 120.45 3dpd s LYS 597 Ca 0.36 -2.29 0.13 0.00 0.02 0.00 0.00 55.97 54.19 3dpd s LYS 597 Cb -0.22 -4.86 0.59 0.00 -0.52 0.00 0.00 37.83 32.81 3dpd s LYS 597 CO 0.25 -1.65 1.41 0.91 -0.92 0.00 0.00 175.35 175.34 3dpd n TRP 598 N 5.48 0.25 1.78 3.18 7.02 -1.26 -1.82 117.44 132.08 3dpd n TRP 598 Ca 0.27 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.86 3dpd n TRP 598 Cb 0.46 -0.68 0.01 0.00 -2.42 0.00 0.00 31.31 28.68 3dpd n TRP 598 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3dpd n GLY 599 N -0.60 -0.55 2.79 6.99 0.00 -1.26 -4.36 105.19 108.20 3dpd n GLY 599 Ca 0.02 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3dpd n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dpd s GLN 600 N -1.84 0.81 0.16 1.61 -0.21 -0.76 -4.81 119.66 114.61 3dpd s GLN 600 Ca 0.02 -0.11 -0.16 0.00 0.02 0.00 0.00 55.36 55.13 3dpd s GLN 600 Cb 0.01 -1.39 0.05 0.00 1.00 0.00 0.00 33.01 32.68 3dpd s GLN 600 CO 0.01 -0.38 1.78 -0.56 -2.12 0.00 0.00 175.29 174.02 3dpd h GLN 601 N 8.27 0.38 -0.74 2.91 -0.00 -1.80 -1.15 115.11 122.99 3dpd h GLN 601 Ca -0.21 -0.02 0.13 0.00 -0.00 0.00 0.00 58.65 58.55 3dpd h GLN 601 Cb 1.12 -0.09 -0.09 0.00 -0.00 0.00 0.00 27.48 28.43 3dpd h GLN 601 CO 0.31 0.25 0.33 0.93 -0.00 0.00 0.00 178.83 180.65 3dpd h GLU 602 N 0.39 0.49 0.33 0.06 3.07 -1.95 0.15 114.58 117.12 3dpd h GLU 602 Ca 0.16 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3dpd h GLU 602 Cb 0.07 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3dpd h GLU 602 CO -0.12 0.32 -0.16 0.82 -1.40 0.00 0.00 179.01 178.48 3dpd h ILE 603 N 0.51 0.68 -0.62 3.13 1.08 -1.71 -1.62 117.51 118.96 3dpd h ILE 603 Ca 0.39 -0.46 0.11 0.00 -0.39 0.00 0.00 64.86 64.51 3dpd h ILE 603 Cb 0.54 0.92 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 3dpd h ILE 603 CO -0.35 0.09 0.19 0.58 -0.69 0.00 0.00 178.15 177.97 3dpd h VAL 604 N -0.70 0.70 -0.93 1.67 2.07 -0.67 0.36 116.25 118.75 3dpd h VAL 604 Ca -0.04 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.43 3dpd h VAL 604 Cb 0.49 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3dpd h VAL 604 CO 0.07 0.06 0.59 0.00 0.02 0.00 0.00 177.57 178.31 3dpd h ALA 605 N 1.46 1.31 -0.64 1.67 0.00 -0.69 0.10 119.26 122.47 3dpd h ALA 605 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3dpd h ALA 605 Cb 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3dpd h ALA 605 CO -0.36 0.32 0.21 0.87 0.00 0.00 0.00 179.25 180.29 3dpd h LYS 606 N 1.04 0.99 -0.50 0.00 1.57 0.58 -2.07 116.57 118.18 3dpd h LYS 606 Ca 0.42 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 3dpd h LYS 606 Cb 0.23 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 3dpd h LYS 606 CO -0.19 0.86 0.21 1.15 -0.57 0.00 0.00 179.45 180.91 3dpd h THR 607 N 0.92 0.88 0.00 -0.16 2.02 0.13 0.27 112.91 116.97 3dpd h THR 607 Ca 0.21 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3dpd h THR 607 Cb 0.28 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3dpd h THR 607 CO -0.01 0.07 -0.01 1.88 0.37 0.00 0.00 175.52 177.83 3dpd h TYR 608 N 0.41 0.00 -0.19 3.16 0.99 -0.35 -0.16 116.97 120.83 3dpd h TYR 608 Ca 0.23 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.77 3dpd h TYR 608 Cb 0.21 0.00 0.01 0.00 1.00 0.00 0.00 36.73 37.95 3dpd h TYR 608 CO -0.14 0.01 -0.64 1.96 -0.00 0.00 0.00 178.16 179.35 3dpd h GLN 609 N 0.00 0.76 -0.71 4.88 4.20 0.18 -2.81 115.11 121.61 3dpd h GLN 609 Ca -0.00 -0.57 -0.02 0.00 0.06 0.00 0.00 58.65 58.11 3dpd h GLN 609 Cb 0.13 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3dpd h GLN 609 CO 0.00 1.19 0.34 -0.07 -0.67 0.00 0.00 178.83 179.63 3dpd h LEU 610 N 0.49 0.90 -1.02 1.46 3.38 -0.21 -2.22 115.31 118.08 3dpd h LEU 610 Ca -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3dpd h LEU 610 Cb 1.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3dpd h LEU 610 CO 0.14 0.76 -0.14 -0.07 0.09 0.00 0.00 178.44 179.21 3dpd h LEU 611 N 1.00 0.00 -2.15 1.67 3.38 -1.41 -3.07 115.31 114.71 3dpd h LEU 611 Ca 0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3dpd h LEU 611 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dpd h LEU 611 CO -0.03 0.14 0.15 0.00 0.09 0.00 0.00 178.44 178.79 3dpd h ALA 612 N 1.86 1.96 -2.93 1.53 0.00 -1.13 -3.36 119.26 117.19 3dpd h ALA 612 Ca -0.00 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 3dpd h ALA 612 Cb 0.74 0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.14 3dpd h ALA 612 CO 0.02 -0.24 -0.77 0.50 0.00 0.00 0.00 179.25 178.76 3dpd s ARG 613 N -4.83 0.21 -0.38 0.00 3.52 -1.16 -5.02 118.95 111.29 3dpd s ARG 613 Ca -0.05 -0.41 0.12 0.00 -0.13 0.00 0.00 55.73 55.26 3dpd s ARG 613 Cb 0.17 -1.50 0.36 0.00 -1.56 0.00 0.00 34.95 32.42 3dpd s ARG 613 CO 0.62 -0.88 0.77 2.89 -0.81 0.00 0.00 175.30 177.89 3dpd n ARG 614 N 5.22 1.16 0.18 5.12 1.85 -1.26 -4.92 116.66 124.01 3dpd n ARG 614 Ca -0.06 -3.48 0.06 0.00 -1.00 0.00 0.00 57.85 53.37 3dpd n ARG 614 Cb 0.45 -1.70 0.56 0.00 -1.05 0.00 0.00 32.46 30.71 3dpd n ARG 614 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3dpd h GLU 615 N 3.00 0.16 0.43 2.89 5.08 -1.95 0.04 114.58 124.22 3dpd h GLU 615 Ca 0.08 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3dpd h GLU 615 Cb 0.96 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3dpd h GLU 615 CO 0.52 0.13 -0.21 0.28 -1.00 0.00 0.00 179.01 178.74 3dpd h VAL 616 N 0.16 0.54 -0.51 3.13 2.07 -1.91 -0.08 116.25 119.65 3dpd h VAL 616 Ca 0.04 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 3dpd h VAL 616 Cb 0.03 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3dpd h VAL 616 CO -0.01 0.06 -0.11 -0.25 0.02 0.00 0.00 177.57 177.28 3dpd h TRP 617 N -0.79 1.05 -0.30 1.57 2.91 -1.78 0.56 115.95 119.17 3dpd h TRP 617 Ca -0.06 -0.21 -0.05 0.00 1.13 0.00 0.00 58.89 59.70 3dpd h TRP 617 Cb 0.54 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 3dpd h TRP 617 CO -0.00 0.99 -0.04 -0.44 -1.03 0.00 0.00 178.44 177.92 3dpd h ASP 618 N 0.84 0.45 0.23 2.65 3.32 -0.96 -3.15 116.42 119.80 3dpd h ASP 618 Ca 0.13 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3dpd h ASP 618 Cb 0.65 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3dpd h ASP 618 CO 0.05 0.55 -1.56 0.00 -1.72 0.00 0.00 179.24 176.55 3dpd n GLN 619 N -4.27 0.51 -1.80 3.56 6.02 -0.05 -4.96 117.38 116.40 3dpd n GLN 619 Ca 0.01 -0.09 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 3dpd n GLN 619 Cb 0.26 -1.58 0.06 0.00 1.02 0.00 0.00 30.24 30.00 3dpd n GLN 619 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3dpd s SER 620 N -4.37 4.80 0.33 1.08 1.04 0.18 -4.93 113.70 111.83 3dpd s SER 620 Ca -0.03 2.44 -0.29 0.00 0.48 0.00 0.00 55.95 58.56 3dpd s SER 620 Cb 0.14 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 3dpd s SER 620 CO 0.87 -1.86 1.29 0.00 0.98 0.00 0.00 173.24 174.52 3dpd s ALA 621 N -1.64 3.47 0.18 5.32 0.00 -1.26 -4.92 121.76 122.92 3dpd s ALA 621 Ca 0.78 1.23 -0.33 0.00 0.00 0.00 0.00 51.96 53.65 3dpd s ALA 621 Cb -0.32 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.18 3dpd s ALA 621 CO 0.38 -0.62 1.22 -0.11 0.00 0.00 0.00 175.76 176.63 3dpd n LEU 622 N 0.78 1.85 -3.66 0.00 7.94 -1.26 -4.98 117.00 117.67 3dpd n LEU 622 Ca 0.00 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 55.75 3dpd n LEU 622 Cb 0.42 -1.26 -0.15 0.00 0.53 0.00 0.00 43.42 42.97 3dpd n LEU 622 CO 0.59 -1.13 -0.32 -0.62 -1.11 0.00 0.00 177.39 174.79 3dpd s ASP 623 N 0.06 3.78 0.21 1.96 -1.08 -1.26 -5.01 116.67 115.33 3dpd s ASP 623 Ca 0.72 -1.69 -0.10 0.00 -0.52 0.00 0.00 52.55 50.97 3dpd s ASP 623 Cb -0.81 -0.71 0.30 0.00 -1.46 0.00 0.00 42.92 40.24 3dpd s ASP 623 CO 0.52 -0.40 1.70 0.58 0.52 0.00 0.00 175.17 178.09 3dpd h VAL 624 N 6.23 0.63 0.00 1.11 2.07 -1.97 0.67 116.25 124.99 3dpd h VAL 624 Ca -0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3dpd h VAL 624 Cb 1.00 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3dpd h VAL 624 CO 0.45 0.05 -0.00 1.23 0.02 0.00 0.00 177.57 179.31 3dpd h GLY 625 N 0.25 0.00 0.49 2.17 0.00 -1.93 1.10 103.07 105.16 3dpd h GLY 625 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.36 3dpd h GLY 625 CO -0.41 0.00 -1.48 -2.00 0.00 0.00 0.00 176.54 172.65 3dpd h LEU 626 N 0.00 0.34 -0.52 3.11 6.46 -1.18 -3.22 115.31 120.30 3dpd h LEU 626 Ca -0.00 -0.83 0.02 0.00 -0.12 0.00 0.00 57.88 56.95 3dpd h LEU 626 Cb 0.01 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 3dpd h LEU 626 CO 0.00 1.64 0.32 0.74 -0.62 0.00 0.00 178.44 180.52 3dpd h THR 627 N -0.33 1.07 -0.88 1.05 2.02 0.10 -2.65 112.91 113.30 3dpd h THR 627 Ca -0.33 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3dpd h THR 627 Cb 1.74 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 3dpd h THR 627 CO 0.03 0.12 0.57 0.24 0.37 0.00 0.00 175.52 176.85 3dpd h MET 628 N 0.63 1.09 -0.86 6.66 2.86 0.11 -2.49 114.93 122.93 3dpd h MET 628 Ca 0.21 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.89 3dpd h MET 628 Cb 0.00 -0.25 -0.08 0.00 0.06 0.00 0.00 31.60 31.34 3dpd h MET 628 CO -0.08 0.72 0.50 1.96 1.06 0.00 0.00 176.91 181.06 3dpd h GLN 629 N 1.12 0.79 0.00 1.72 4.20 -1.48 0.12 115.11 121.58 3dpd h GLN 629 Ca 0.34 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3dpd h GLN 629 Cb -0.03 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.57 3dpd h GLN 629 CO -0.10 0.52 0.00 1.28 -0.67 0.00 0.00 178.83 179.86 3dpd n LEU 630 N -4.73 0.00 -0.88 1.46 4.77 -0.94 -2.60 117.00 114.07 3dpd n LEU 630 Ca 0.15 0.23 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 3dpd n LEU 630 Cb 0.31 -0.23 0.18 0.00 -2.33 0.00 0.00 43.42 41.35 3dpd n LEU 630 CO 0.26 -0.10 0.64 0.18 -1.33 0.00 0.00 177.39 177.04 3dpd n LEU 631 N -1.23 3.07 0.00 2.23 4.77 0.41 -4.39 117.00 121.86 3dpd n LEU 631 Ca 0.09 -1.64 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 3dpd n LEU 631 Cb 0.12 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3dpd n LEU 631 CO 0.12 0.70 0.00 -0.90 -1.33 0.00 0.00 177.39 175.99 3dpd n ASP 632 N 1.04 0.00 0.00 -1.43 5.68 -1.07 -4.77 116.55 116.00 3dpd n ASP 632 Ca 0.15 -0.75 0.05 0.00 -0.50 0.00 0.00 54.79 53.74 3dpd n ASP 632 Cb 0.49 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.74 3dpd n ASP 632 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dpd n ASN 634 N -1.32 1.66 -3.40 0.00 5.03 -1.26 -3.39 115.26 112.58 3dpd n ASN 634 Ca 0.05 -1.74 -0.25 0.00 0.87 0.00 0.00 54.58 53.51 3dpd n ASN 634 Cb 0.09 -0.12 -0.10 0.00 -1.02 0.00 0.00 39.78 38.63 3dpd n ASN 634 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3dpd s PHE 635 N -1.76 0.44 -2.00 3.10 0.40 -1.17 -4.87 117.98 112.13 3dpd s PHE 635 Ca 0.31 -1.51 0.20 0.00 -0.60 0.00 0.00 56.93 55.33 3dpd s PHE 635 Cb 0.17 -0.74 1.19 0.00 0.51 0.00 0.00 43.02 44.15 3dpd s PHE 635 CO 0.25 -0.88 1.76 0.45 0.70 0.00 0.00 175.22 177.49 3dpd n SER 636 N 3.84 0.00 -4.70 1.36 2.88 -1.26 -4.77 113.62 110.97 3dpd n SER 636 Ca 0.15 -1.35 -0.38 0.00 -1.33 0.00 0.00 58.87 55.97 3dpd n SER 636 Cb 0.42 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.81 3dpd n SER 636 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dpd s ASP 637 N -1.64 6.55 0.28 -3.46 -1.08 -1.26 -4.71 116.67 111.35 3dpd s ASP 637 Ca 0.30 0.66 0.06 0.00 -0.52 0.00 0.00 52.55 53.04 3dpd s ASP 637 Cb 0.14 -2.26 0.41 0.00 -1.46 0.00 0.00 42.92 39.75 3dpd s ASP 637 CO 0.23 -0.04 1.67 1.05 0.52 0.00 0.00 175.17 178.60 3dpd h GLU 638 N 7.04 0.27 -0.29 4.34 4.11 -1.86 -1.53 114.58 126.65 3dpd h GLU 638 Ca -0.38 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 58.88 3dpd h GLU 638 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3dpd h GLU 638 CO 0.74 0.66 0.06 -0.91 0.07 0.00 0.00 179.01 179.63 3dpd h ASN 639 N 0.22 0.45 -0.00 3.06 -0.26 -1.96 0.33 115.58 117.43 3dpd h ASN 639 Ca 0.02 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.51 3dpd h ASN 639 Cb 0.86 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.00 3dpd h ASN 639 CO 0.07 0.58 0.00 0.58 -1.06 0.00 0.00 177.43 177.60 3dpd h VAL 640 N 0.30 1.13 -0.97 2.81 2.07 -1.92 -3.03 116.25 116.64 3dpd h VAL 640 Ca 0.09 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3dpd h VAL 640 Cb 0.32 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3dpd h VAL 640 CO 0.00 0.10 0.60 0.03 0.02 0.00 0.00 177.57 178.33 3dpd h ARG 641 N -0.16 1.30 0.00 1.57 3.08 -1.22 -2.16 114.38 116.80 3dpd h ARG 641 Ca 0.00 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3dpd h ARG 641 Cb 0.16 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3dpd h ARG 641 CO -0.00 0.89 -0.00 0.00 -1.07 0.00 0.00 179.97 179.79 3dpd h ALA 642 N 1.33 1.03 0.00 0.04 0.00 -0.21 0.04 119.26 121.49 3dpd h ALA 642 Ca 0.35 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3dpd h ALA 642 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dpd h ALA 642 CO -0.07 0.00 -0.17 -0.84 0.00 0.00 0.00 179.25 178.17 3dpd h ILE 643 N 0.00 0.33 0.05 0.00 3.07 -1.34 -1.97 117.51 117.66 3dpd h ILE 643 Ca -0.00 -1.27 -0.11 0.00 1.55 0.00 0.00 64.86 65.03 3dpd h ILE 643 Cb 0.05 2.00 0.01 0.00 -0.27 0.00 0.00 36.82 38.61 3dpd h ILE 643 CO 0.00 0.17 -0.45 0.00 -1.05 0.00 0.00 178.15 176.82 3dpd h ALA 644 N 1.83 -0.02 -0.43 0.16 0.00 -1.08 -2.92 119.26 116.80 3dpd h ALA 644 Ca -0.00 -0.58 0.11 0.00 0.00 0.00 0.00 54.91 54.44 3dpd h ALA 644 Cb 0.98 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3dpd h ALA 644 CO 0.02 0.21 0.30 0.28 0.00 0.00 0.00 179.25 180.06 3dpd h VAL 645 N -0.53 0.82 -0.65 0.00 2.07 -1.44 0.32 116.25 116.85 3dpd h VAL 645 Ca -0.07 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3dpd h VAL 645 Cb 1.29 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3dpd h VAL 645 CO 0.09 0.01 0.15 -0.61 0.02 0.00 0.00 177.57 177.23 3dpd h GLN 646 N 0.07 1.04 -0.23 1.57 4.15 -1.31 -2.55 115.11 117.85 3dpd h GLN 646 Ca 0.20 -0.25 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 3dpd h GLN 646 Cb 0.70 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 3dpd h GLN 646 CO -0.02 0.94 -0.40 0.87 -1.93 0.00 0.00 178.83 178.29 3dpd h LYS 647 N 0.96 0.54 -0.79 1.69 1.79 -0.22 -3.05 116.57 117.49 3dpd h LYS 647 Ca 0.20 -0.27 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3dpd h LYS 647 Cb 0.37 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 3dpd h LYS 647 CO 0.00 0.85 0.51 -0.07 -1.08 0.00 0.00 179.45 179.67 3dpd h LEU 648 N 0.44 0.86 -1.13 2.94 3.38 -1.02 -2.58 115.31 118.21 3dpd h LEU 648 Ca 0.04 -0.01 0.40 0.00 0.09 0.00 0.00 57.88 58.40 3dpd h LEU 648 Cb 0.89 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.29 3dpd h LEU 648 CO 0.08 0.61 0.65 -0.33 0.09 0.00 0.00 178.44 179.53 3dpd h GLU 649 N 1.02 0.10 -0.75 1.13 4.39 -1.34 0.10 114.58 119.23 3dpd h GLU 649 Ca 0.31 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.06 3dpd h GLU 649 Cb -0.04 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 3dpd h GLU 649 CO -0.10 0.07 0.44 0.77 -1.16 0.00 0.00 179.01 179.04 3dpd h SER 650 N 0.11 0.68 -1.53 1.42 0.02 -1.62 -3.44 113.55 109.19 3dpd h SER 650 Ca 0.81 0.02 -0.71 0.00 -0.84 0.00 0.00 61.79 61.08 3dpd h SER 650 Cb 2.22 -0.11 0.05 0.00 0.14 0.00 0.00 62.40 64.69 3dpd h SER 650 CO -0.62 0.44 0.41 0.18 -1.14 0.00 0.00 176.83 176.10 3dpd n LEU 651 N -4.71 1.36 -4.83 5.07 4.77 0.36 -4.98 117.00 114.04 3dpd n LEU 651 Ca 0.10 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.90 3dpd n LEU 651 Cb 0.18 -1.13 0.05 0.00 -2.33 0.00 0.00 43.42 40.19 3dpd n LEU 651 CO 0.30 -1.17 0.72 -1.83 -1.33 0.00 0.00 177.39 174.08 3dpd s GLU 652 N 0.64 2.79 0.25 3.23 -1.05 -1.26 -4.79 118.70 118.51 3dpd s GLU 652 Ca 0.87 0.78 -0.07 0.00 -0.15 0.00 0.00 54.97 56.39 3dpd s GLU 652 Cb -1.03 -1.99 0.44 0.00 -0.44 0.00 0.00 34.13 31.10 3dpd s GLU 652 CO 0.51 -1.16 1.62 -0.44 0.95 0.00 0.00 175.26 176.74 3dpd h ASP 653 N -0.75 -0.49 -0.74 0.83 3.32 -1.93 -1.07 116.42 115.59 3dpd h ASP 653 Ca -0.45 0.22 0.14 0.00 0.02 0.00 0.00 57.03 56.96 3dpd h ASP 653 Cb 1.23 0.41 -0.14 0.00 0.22 0.00 0.00 39.33 41.05 3dpd h ASP 653 CO 0.59 -0.22 -0.24 -0.78 -1.72 0.00 0.00 179.24 176.86 3dpd h ASP 654 N 0.06 -0.89 -0.14 6.45 3.58 -1.92 0.22 116.42 123.78 3dpd h ASP 654 Ca 0.42 0.24 -0.11 0.00 0.42 0.00 0.00 57.03 57.99 3dpd h ASP 654 Cb 0.73 0.52 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 3dpd h ASP 654 CO -0.74 -0.27 -0.28 0.44 -2.88 0.00 0.00 179.24 175.51 3dpd h ASP 655 N -0.04 0.63 -0.71 2.28 3.32 -1.57 -2.80 116.42 117.52 3dpd h ASP 655 Ca 0.33 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dpd h ASP 655 Cb 0.56 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3dpd h ASP 655 CO -0.78 0.88 0.44 0.58 -1.72 0.00 0.00 179.24 178.64 3dpd h VAL 656 N 0.53 1.20 -0.23 -1.35 2.07 -0.44 -1.12 116.25 116.91 3dpd h VAL 656 Ca 0.07 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 3dpd h VAL 656 Cb 0.75 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3dpd h VAL 656 CO 0.06 0.20 -0.30 -0.07 0.02 0.00 0.00 177.57 177.48 3dpd h LEU 657 N 0.98 0.48 -1.02 2.57 3.38 -1.10 0.55 115.31 121.15 3dpd h LEU 657 Ca 0.26 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3dpd h LEU 657 Cb -0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3dpd h LEU 657 CO -0.05 0.76 0.14 0.45 0.09 0.00 0.00 178.44 179.83 3dpd h HIS 658 N 0.41 0.87 -0.02 1.13 3.86 -0.97 -3.23 115.15 117.21 3dpd h HIS 658 Ca 0.05 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3dpd h HIS 658 Cb 0.73 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.95 3dpd h HIS 658 CO 0.02 0.73 -0.03 0.66 0.86 0.00 0.00 177.93 180.17 3dpd n TYR 659 N -4.27 0.00 -0.27 2.45 4.02 -0.95 -4.75 117.16 113.39 3dpd n TYR 659 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.90 3dpd n TYR 659 Cb 0.22 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.58 3dpd n TYR 659 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3dpd h LEU 660 N 2.41 -1.15 0.04 7.72 5.85 0.09 0.16 115.31 130.43 3dpd h LEU 660 Ca 0.00 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3dpd h LEU 660 Cb 0.53 0.61 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3dpd h LEU 660 CO 0.00 -0.29 -0.16 0.25 -0.34 0.00 0.00 178.44 177.90 3dpd h LEU 661 N -0.09 -0.46 -1.02 2.25 5.85 -1.85 0.23 115.31 120.22 3dpd h LEU 661 Ca 0.29 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 3dpd h LEU 661 Cb 0.57 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3dpd h LEU 661 CO -0.79 -0.23 0.19 1.56 -0.34 0.00 0.00 178.44 178.84 3dpd h GLN 662 N -0.29 0.90 0.36 1.25 1.08 -1.76 0.61 115.11 117.26 3dpd h GLN 662 Ca 0.04 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 3dpd h GLN 662 Cb 0.34 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3dpd h GLN 662 CO -0.13 0.77 -0.17 -0.07 -0.95 0.00 0.00 178.83 178.28 3dpd h LEU 663 N 0.88 -0.41 -0.45 1.46 3.38 -0.42 0.31 115.31 120.06 3dpd h LEU 663 Ca 0.20 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.18 3dpd h LEU 663 Cb 0.24 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.00 3dpd h LEU 663 CO -0.01 -0.18 -0.36 0.58 0.09 0.00 0.00 178.44 178.56 3dpd h VAL 664 N -0.62 0.18 -0.91 1.22 2.07 -0.35 0.21 116.25 118.04 3dpd h VAL 664 Ca -0.05 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.60 3dpd h VAL 664 Cb 0.45 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3dpd h VAL 664 CO 0.08 0.00 0.58 1.56 0.02 0.00 0.00 177.57 179.81 3dpd h GLN 665 N -0.25 0.76 0.00 1.57 1.08 -0.47 -0.63 115.11 117.17 3dpd h GLN 665 Ca 0.18 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3dpd h GLN 665 Cb 0.55 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3dpd h GLN 665 CO -0.59 0.51 0.07 0.00 -0.95 0.00 0.00 178.83 177.87 3dpd n ALA 666 N -2.41 0.94 0.27 3.87 0.00 0.11 -0.80 120.51 122.49 3dpd n ALA 666 Ca 0.17 0.18 0.16 0.00 0.00 0.00 0.00 53.44 53.95 3dpd n ALA 666 Cb 0.42 -1.19 0.75 0.00 0.00 0.00 0.00 19.45 19.42 3dpd n ALA 666 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dpd h VAL 667 N 0.00 0.26 0.00 0.00 2.07 -0.92 -2.37 116.25 115.29 3dpd h VAL 667 Ca 0.00 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3dpd h VAL 667 Cb 0.15 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3dpd h VAL 667 CO 0.00 0.07 -0.15 0.11 0.02 0.00 0.00 177.57 177.63 3dpd h LYS 668 N 0.00 0.00 -0.01 1.57 1.57 -1.15 -2.44 116.57 116.11 3dpd h LYS 668 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dpd h LYS 668 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3dpd h LYS 668 CO 0.01 0.15 -0.18 1.19 -0.57 0.00 0.00 179.45 180.04 3dpd n PHE 669 N -3.94 0.00 -2.32 -1.35 0.99 -0.89 -4.79 117.46 105.16 3dpd n PHE 669 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.00 3dpd n PHE 669 Cb 0.24 -0.13 -0.03 0.00 -1.00 0.00 0.00 39.48 38.56 3dpd n PHE 669 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3dpd s GLU 670 N -2.44 4.29 0.53 -1.08 0.41 -0.92 -4.78 118.70 114.71 3dpd s GLU 670 Ca 0.27 1.84 0.32 0.00 -0.41 0.00 0.00 54.97 56.99 3dpd s GLU 670 Cb 0.20 -3.64 1.34 0.00 -1.78 0.00 0.00 34.13 30.25 3dpd s GLU 670 CO 0.49 -0.58 1.98 -1.00 -0.49 0.00 0.00 175.26 175.65 3dpd h PRO 671 N 7.92 0.00 -6.28 0.39 0.13 -1.89 -3.44 132.00 128.82 3dpd h PRO 671 Ca -0.35 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.19 3dpd h PRO 671 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.11 3dpd h PRO 671 CO 0.91 0.06 -0.80 0.71 -0.23 0.00 0.00 178.00 178.65 3dpd s TYR 672 N -3.73 2.08 0.03 1.56 1.51 -1.26 -4.92 117.35 112.62 3dpd s TYR 672 Ca 0.00 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.41 3dpd s TYR 672 Cb 0.10 -1.03 -0.17 0.00 -0.11 0.00 0.00 41.96 40.75 3dpd s TYR 672 CO 0.56 0.43 1.44 0.45 -1.11 0.00 0.00 175.55 177.33 3dpd h HIS 673 N 3.18 -0.14 -3.34 2.71 3.86 -1.92 -3.38 115.15 116.11 3dpd h HIS 673 Ca -0.44 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.18 3dpd h HIS 673 Cb 1.21 0.05 -0.08 0.00 1.06 0.00 0.00 27.41 29.65 3dpd h HIS 673 CO 0.69 0.13 0.67 0.34 0.86 0.00 0.00 177.93 180.62 3dpd s ASP 674 N -5.29 6.84 0.06 2.45 -1.08 -1.26 -4.85 116.67 113.54 3dpd s ASP 674 Ca -0.15 0.91 -0.06 0.00 -0.52 0.00 0.00 52.55 52.74 3dpd s ASP 674 Cb 0.03 -2.49 -0.02 0.00 -1.46 0.00 0.00 42.92 38.99 3dpd s ASP 674 CO 0.63 -0.77 0.10 -0.94 0.52 0.00 0.00 175.17 174.72 3dpd s SER 675 N 1.61 0.25 0.35 -0.34 1.04 -1.26 -5.02 113.70 110.33 3dpd s SER 675 Ca 0.40 -0.72 0.12 0.00 0.48 0.00 0.00 55.95 56.23 3dpd s SER 675 Cb -0.13 0.27 0.91 0.00 0.10 0.00 0.00 66.02 67.17 3dpd s SER 675 CO 0.14 -0.63 1.79 0.00 0.98 0.00 0.00 173.24 175.51 3dpd h ALA 676 N 3.11 1.94 -0.27 5.32 0.00 -1.94 -1.06 119.26 126.35 3dpd h ALA 676 Ca -0.34 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3dpd h ALA 676 Cb 1.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3dpd h ALA 676 CO 0.58 -0.30 -0.11 1.25 0.00 0.00 0.00 179.25 180.66 3dpd h LEU 677 N 0.58 0.56 -1.05 0.00 5.85 -1.96 -0.89 115.31 118.41 3dpd h LEU 677 Ca 0.56 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3dpd h LEU 677 Cb 1.13 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 3dpd h LEU 677 CO -0.32 0.84 0.64 0.00 -0.34 0.00 0.00 178.44 179.25 3dpd h ALA 678 N 0.75 1.33 -0.19 1.25 0.00 -1.57 -1.99 119.26 118.84 3dpd h ALA 678 Ca 0.06 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3dpd h ALA 678 Cb 0.62 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dpd h ALA 678 CO 0.04 0.60 -0.45 0.00 0.00 0.00 0.00 179.25 179.44 3dpd h ARG 679 N 1.28 0.64 -0.54 0.00 3.08 -1.03 -2.65 114.38 115.15 3dpd h ARG 679 Ca 0.36 -0.43 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3dpd h ARG 679 Cb -0.09 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 3dpd h ARG 679 CO -0.09 1.05 0.21 0.35 -1.07 0.00 0.00 179.97 180.42 3dpd h PHE 680 N 0.32 0.36 -0.47 3.04 3.57 -0.87 0.79 116.94 123.68 3dpd h PHE 680 Ca -0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3dpd h PHE 680 Cb 1.06 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 3dpd h PHE 680 CO 0.09 0.12 0.29 -0.07 -2.23 0.00 0.00 178.31 176.51 3dpd h LEU 681 N 0.39 0.49 0.21 0.59 3.38 -1.33 -0.56 115.31 118.48 3dpd h LEU 681 Ca 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3dpd h LEU 681 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3dpd h LEU 681 CO -0.26 0.35 -0.14 0.25 0.09 0.00 0.00 178.44 178.73 3dpd h LEU 682 N 0.59 -0.35 0.65 1.67 7.12 -0.95 -0.36 115.31 123.68 3dpd h LEU 682 Ca 0.18 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.19 3dpd h LEU 682 Cb -0.01 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 3dpd h LEU 682 CO -0.07 -0.22 -0.45 0.11 -0.13 0.00 0.00 178.44 177.68 3dpd h LYS 683 N -0.34 -1.01 -0.62 1.25 1.57 -0.63 -0.68 116.57 116.10 3dpd h LYS 683 Ca -0.02 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.01 3dpd h LYS 683 Cb 0.29 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3dpd h LYS 683 CO 0.01 -0.67 0.57 0.00 -0.57 0.00 0.00 179.45 178.79 3dpd h ARG 684 N -1.05 0.00 0.16 3.15 2.47 -1.03 0.10 114.38 118.18 3dpd h ARG 684 Ca -0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3dpd h ARG 684 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 3dpd h ARG 684 CO 0.06 0.00 -0.07 0.78 0.56 0.00 0.00 179.97 181.29 3dpd h GLY 685 N 0.00 -0.22 1.16 0.04 0.00 -0.38 -2.60 103.07 101.07 3dpd h GLY 685 Ca 0.29 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3dpd h GLY 685 CO -0.00 -0.08 0.31 1.41 0.00 0.00 0.00 176.54 178.18 3dpd h LEU 686 N -0.51 0.00 0.00 3.11 3.38 -0.20 0.34 115.31 121.42 3dpd h LEU 686 Ca -0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 3dpd h LEU 686 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3dpd h LEU 686 CO 0.04 0.00 -1.38 0.03 0.09 0.00 0.00 178.44 177.21 3dpd h ARG 687 N 0.00 0.00 -3.57 1.13 2.47 -0.79 -3.46 114.38 110.16 3dpd h ARG 687 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 3dpd h ARG 687 Cb 0.63 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 28.62 3dpd h ARG 687 CO 0.00 0.39 -0.73 1.21 0.56 0.00 0.00 179.97 181.40 3dpd s ASN 688 N -5.95 0.10 0.21 7.04 3.84 0.12 -4.90 114.94 115.40 3dpd s ASN 688 Ca -0.02 0.03 -0.07 0.00 0.21 0.00 0.00 52.86 53.00 3dpd s ASN 688 Cb 0.08 -0.08 0.16 0.00 -0.55 0.00 0.00 41.25 40.87 3dpd s ASN 688 CO 0.81 -0.11 1.75 0.11 -2.79 0.00 0.00 177.10 176.87 3dpd h LYS 689 N 7.15 1.15 0.85 0.43 1.79 -1.84 0.49 116.57 126.58 3dpd h LYS 689 Ca -0.43 -0.25 -0.04 0.00 -2.18 0.00 0.00 60.65 57.75 3dpd h LYS 689 Cb 1.13 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.62 3dpd h LYS 689 CO 0.48 0.97 -0.41 -0.09 -1.08 0.00 0.00 179.45 179.33 3dpd h ARG 690 N 1.10 -1.10 -0.52 3.15 9.65 -1.90 0.97 114.38 125.72 3dpd h ARG 690 Ca 0.24 0.08 0.05 0.00 -1.10 0.00 0.00 59.98 59.25 3dpd h ARG 690 Cb 0.31 0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 29.09 3dpd h ARG 690 CO -0.01 -0.73 0.24 0.82 2.80 0.00 0.00 179.97 183.10 3dpd h ILE 691 N -1.20 0.92 -0.73 1.20 2.04 -1.86 -1.72 117.51 116.16 3dpd h ILE 691 Ca -0.12 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3dpd h ILE 691 Cb 0.88 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3dpd h ILE 691 CO 0.19 0.09 0.48 1.23 0.00 0.00 0.00 178.15 180.14 3dpd h GLY 692 N 0.47 1.02 0.90 5.37 0.00 0.37 0.24 103.07 111.43 3dpd h GLY 692 Ca 0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3dpd h GLY 692 CO -0.19 0.34 -0.31 0.84 0.00 0.00 0.00 176.54 177.23 3dpd h HIS 693 N 0.94 -0.80 -0.43 5.60 -0.00 0.18 -2.58 115.15 118.06 3dpd h HIS 693 Ca 0.28 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.56 3dpd h HIS 693 Cb -0.04 0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 3dpd h HIS 693 CO -0.00 -0.47 0.00 0.74 -0.00 0.00 0.00 177.93 178.20 3dpd h PHE 694 N -0.98 0.74 -0.63 5.26 -1.00 -1.13 -2.64 116.94 116.56 3dpd h PHE 694 Ca -0.09 -0.09 0.06 0.00 2.81 0.00 0.00 57.97 60.66 3dpd h PHE 694 Cb 0.70 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 40.00 3dpd h PHE 694 CO -0.01 0.70 0.34 1.25 -1.61 0.00 0.00 178.31 178.98 3dpd h LEU 695 N 0.66 0.50 0.26 1.54 5.85 -0.52 -0.47 115.31 123.14 3dpd h LEU 695 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3dpd h LEU 695 Cb 0.41 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3dpd h LEU 695 CO 0.02 0.33 -0.48 0.15 -0.34 0.00 0.00 178.44 178.11 3dpd h PHE 696 N 0.64 -1.37 -0.47 1.25 3.57 -1.09 0.07 116.94 119.54 3dpd h PHE 696 Ca 0.29 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 3dpd h PHE 696 Cb 0.19 0.56 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 3dpd h PHE 696 CO -0.09 -0.60 0.10 -1.49 -2.23 0.00 0.00 178.31 174.00 3dpd h TRP 697 N -0.81 0.74 0.39 0.41 4.06 -1.38 0.47 115.95 119.82 3dpd h TRP 697 Ca -0.02 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 3dpd h TRP 697 Cb 0.78 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 3dpd h TRP 697 CO -0.35 0.64 -0.19 0.74 -3.56 0.00 0.00 178.44 175.73 3dpd h PHE 698 N 0.70 -0.48 -0.38 0.49 0.05 -0.97 0.30 116.94 116.65 3dpd h PHE 698 Ca 0.15 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.95 3dpd h PHE 698 Cb 0.29 0.16 -0.03 0.00 2.00 0.00 0.00 35.95 38.37 3dpd h PHE 698 CO 0.01 -0.20 0.21 -0.07 -0.18 0.00 0.00 178.31 178.09 3dpd h LEU 699 N -0.71 0.33 -0.97 1.54 3.38 -0.77 -2.51 115.31 115.60 3dpd h LEU 699 Ca -0.05 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dpd h LEU 699 Cb 0.50 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3dpd h LEU 699 CO 0.09 0.24 0.64 -0.09 0.09 0.00 0.00 178.44 179.41 3dpd h ARG 700 N 0.43 1.28 -0.52 1.13 2.43 0.03 -2.07 114.38 117.09 3dpd h ARG 700 Ca 0.15 -0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 3dpd h ARG 700 Cb 0.03 -0.29 -0.10 0.00 -0.42 0.00 0.00 29.97 29.19 3dpd h ARG 700 CO -0.08 0.85 -0.17 1.03 -1.51 0.00 0.00 179.97 180.09 3dpd h SER 701 N 1.32 -0.59 -0.43 -3.80 0.87 0.04 -2.18 113.55 108.77 3dpd h SER 701 Ca 0.36 0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.98 3dpd h SER 701 Cb -0.15 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 3dpd h SER 701 CO -0.08 -0.20 -0.11 -0.33 -0.53 0.00 0.00 176.83 175.58 3dpd h GLU 702 N -0.04 0.84 -0.83 2.24 4.39 -1.25 -3.25 114.58 116.67 3dpd h GLU 702 Ca 0.25 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3dpd h GLU 702 Cb 0.42 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 3dpd h GLU 702 CO -0.55 0.96 0.55 0.82 -1.16 0.00 0.00 179.01 179.62 3dpd h ILE 703 N 0.66 1.15 0.46 3.13 2.04 -0.81 -0.43 117.51 123.72 3dpd h ILE 703 Ca 0.11 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3dpd h ILE 703 Cb 0.65 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3dpd h ILE 703 CO 0.04 0.19 -0.22 0.00 0.00 0.00 0.00 178.15 178.16 3dpd h ALA 704 N 1.51 -0.62 -0.28 1.87 0.00 -1.45 -3.36 119.26 116.93 3dpd h ALA 704 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dpd h ALA 704 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dpd h ALA 704 CO -0.09 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 178.36 3dpd n GLN 705 N -5.32 2.84 -3.95 0.00 10.64 -1.20 -4.84 117.38 115.55 3dpd n GLN 705 Ca -0.11 -2.30 -0.31 0.00 -1.83 0.00 0.00 57.00 52.45 3dpd n GLN 705 Cb 0.28 -1.46 -0.14 0.00 -0.86 0.00 0.00 30.24 28.07 3dpd n GLN 705 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3dpd s SER 706 N -1.40 4.47 0.46 2.61 0.15 -0.17 -4.93 113.70 114.88 3dpd s SER 706 Ca 0.28 -2.80 0.19 0.00 0.70 0.00 0.00 55.95 54.32 3dpd s SER 706 Cb 0.19 -1.65 1.13 0.00 -1.71 0.00 0.00 66.02 63.98 3dpd s SER 706 CO 0.12 -0.27 2.00 -0.09 1.20 0.00 0.00 173.24 176.19 3dpd h ARG 707 N 6.79 0.00 -0.30 5.44 9.65 -1.87 0.16 114.38 134.25 3dpd h ARG 707 Ca -0.07 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.67 3dpd h ARG 707 Cb 0.92 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 3dpd h ARG 707 CO 0.65 0.19 -0.40 0.45 2.80 0.00 0.00 179.97 183.66 3dpd h HIS 708 N 0.00 0.85 0.00 2.20 3.86 -1.95 -3.35 115.15 116.76 3dpd h HIS 708 Ca -0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 3dpd h HIS 708 Cb 0.37 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3dpd h HIS 708 CO 0.00 0.99 -0.03 0.66 0.86 0.00 0.00 177.93 180.41 3dpd n TYR 709 N -4.04 0.00 0.34 2.45 4.02 -1.12 -4.62 117.16 114.20 3dpd n TYR 709 Ca -0.02 -0.52 -0.17 0.00 -0.01 0.00 0.00 57.90 57.18 3dpd n TYR 709 Cb 0.53 -0.07 -0.09 0.00 -0.02 0.00 0.00 39.34 39.69 3dpd n TYR 709 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3dpd h GLN 710 N 0.00 -0.85 0.00 -0.72 3.07 -1.10 -2.18 115.11 113.33 3dpd h GLN 710 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.80 3dpd h GLN 710 Cb 0.74 0.19 0.00 0.00 0.08 0.00 0.00 27.48 28.50 3dpd h GLN 710 CO 0.00 -0.57 0.00 1.04 0.09 0.00 0.00 178.83 179.39 3dpd n GLN 711 N -5.49 0.00 -0.24 0.06 6.02 -1.26 0.17 117.38 116.65 3dpd n GLN 711 Ca -0.13 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 3dpd n GLN 711 Cb 0.37 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 30.23 3dpd n GLN 711 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3dpd h ARG 712 N 0.00 -0.00 -0.53 -1.09 2.43 -1.92 0.34 114.38 113.60 3dpd h ARG 712 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3dpd h ARG 712 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3dpd h ARG 712 CO 0.00 -0.00 0.18 0.74 -1.51 0.00 0.00 179.97 179.38 3dpd h PHE 713 N -0.00 0.79 -0.52 2.20 0.05 -0.59 -1.97 116.94 116.91 3dpd h PHE 713 Ca 0.33 -0.05 -0.09 0.00 3.82 0.00 0.00 57.97 61.99 3dpd h PHE 713 Cb 0.51 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.20 3dpd h PHE 713 CO -0.56 0.63 -0.03 0.00 -0.18 0.00 0.00 178.31 178.17 3dpd h ALA 714 N 1.44 0.97 0.00 2.45 0.00 0.55 -1.26 119.26 123.41 3dpd h ALA 714 Ca 0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3dpd h ALA 714 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dpd h ALA 714 CO -0.01 0.62 -0.37 0.28 0.00 0.00 0.00 179.25 179.77 3dpd h VAL 715 N 0.82 0.99 0.00 0.00 2.07 -0.42 -1.23 116.25 118.48 3dpd h VAL 715 Ca 0.15 -1.41 -0.16 0.00 0.82 0.00 0.00 66.70 66.10 3dpd h VAL 715 Cb 0.53 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3dpd h VAL 715 CO 0.03 0.36 -0.75 0.40 0.02 0.00 0.00 177.57 177.63 3dpd h ILE 716 N 0.00 1.37 0.00 4.57 2.04 -0.86 -2.83 117.51 121.80 3dpd h ILE 716 Ca -0.00 -2.73 -0.02 0.00 1.00 0.00 0.00 64.86 63.10 3dpd h ILE 716 Cb 0.79 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 3dpd h ILE 716 CO 0.05 0.74 -0.10 0.25 0.00 0.00 0.00 178.15 179.09 3dpd h LEU 717 N 0.00 0.08 -0.70 1.44 6.46 -0.93 -3.05 115.31 118.61 3dpd h LEU 717 Ca -0.01 -0.79 0.15 0.00 -0.12 0.00 0.00 57.88 57.11 3dpd h LEU 717 Cb 1.48 -0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 41.28 3dpd h LEU 717 CO 0.10 0.87 0.16 -0.08 -0.62 0.00 0.00 178.44 178.86 3dpd h GLU 718 N -0.69 0.26 -0.49 1.25 4.81 -1.27 0.77 114.58 119.22 3dpd h GLU 718 Ca -0.01 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3dpd h GLU 718 Cb 0.88 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 3dpd h GLU 718 CO 0.02 0.17 0.33 0.00 -0.73 0.00 0.00 179.01 178.79 3dpd h ALA 719 N 1.58 1.92 0.03 2.92 0.00 -1.55 -2.59 119.26 121.56 3dpd h ALA 719 Ca 0.39 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.13 3dpd h ALA 719 Cb 0.64 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dpd h ALA 719 CO -0.49 -0.00 -0.60 -0.92 0.00 0.00 0.00 179.25 177.25 3dpd h TYR 720 N 0.42 0.55 0.00 0.00 3.20 0.56 -3.28 116.97 118.42 3dpd h TYR 720 Ca 0.21 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3dpd h TYR 720 Cb 0.30 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3dpd h TYR 720 CO -0.00 1.15 0.00 -0.07 -1.64 0.00 0.00 178.16 177.60 3dpd h LEU 721 N -0.22 0.00 -1.53 2.82 3.38 -0.70 -2.31 115.31 116.74 3dpd h LEU 721 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dpd h LEU 721 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3dpd h LEU 721 CO 0.12 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.19 3dpd n ARG 722 N -2.69 2.07 0.00 1.13 1.74 -1.00 -4.20 116.66 113.71 3dpd n ARG 722 Ca -0.01 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.71 3dpd n ARG 722 Cb 0.11 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3dpd n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dpd n GLY 723 N 0.91 1.00 0.15 -0.13 0.00 -0.90 -4.81 105.19 101.42 3dpd n GLY 723 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3dpd n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpd n GLY 725 N 0.93 3.38 0.26 0.00 0.00 -1.26 -4.61 105.19 103.89 3dpd n GLY 725 Ca 0.01 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.34 3dpd n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpd h THR 726 N 0.00 1.14 0.47 2.61 1.03 -0.86 0.10 112.91 117.40 3dpd h THR 726 Ca 0.00 -0.57 -0.02 0.00 -0.01 0.00 0.00 66.41 65.82 3dpd h THR 726 Cb 0.00 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.10 3dpd h THR 726 CO 0.00 0.19 -0.39 0.00 -0.01 0.00 0.00 175.52 175.31 3dpd h ALA 727 N 1.70 -1.11 -0.76 0.00 0.00 -1.55 0.55 119.26 118.10 3dpd h ALA 727 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dpd h ALA 727 Cb 0.24 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3dpd h ALA 727 CO 0.01 -1.11 0.30 0.52 0.00 0.00 0.00 179.25 178.97 3dpd h MET 728 N -0.84 1.13 -0.94 0.00 2.07 -1.78 -0.50 114.93 114.07 3dpd h MET 728 Ca -0.06 -0.21 0.24 0.00 -2.07 0.00 0.00 59.70 57.61 3dpd h MET 728 Cb 0.70 -0.18 -0.06 0.00 -1.87 0.00 0.00 31.60 30.19 3dpd h MET 728 CO -0.01 0.92 0.64 1.25 1.07 0.00 0.00 176.91 180.79 3dpd h LEU 729 N 1.09 0.25 0.11 1.22 5.85 -0.53 0.33 115.31 123.63 3dpd h LEU 729 Ca 0.25 0.03 -0.30 0.00 0.84 0.00 0.00 57.88 58.71 3dpd h LEU 729 Cb 0.21 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3dpd h LEU 729 CO -0.02 0.08 -1.48 -0.74 -0.34 0.00 0.00 178.44 175.94 3dpd h HIS 730 N 0.24 0.41 -0.20 1.25 2.76 0.60 -3.04 115.15 117.17 3dpd h HIS 730 Ca 0.48 -0.30 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3dpd h HIS 730 Cb 1.49 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.42 3dpd h HIS 730 CO -0.00 1.33 0.08 -0.44 -1.30 0.00 0.00 177.93 177.60 3dpd h ASP 731 N 0.06 0.27 -0.98 3.26 3.32 0.68 -1.51 116.42 121.52 3dpd h ASP 731 Ca -0.22 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 56.72 3dpd h ASP 731 Cb 2.00 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 41.42 3dpd h ASP 731 CO 0.16 0.36 0.64 -0.26 -1.72 0.00 0.00 179.24 178.42 3dpd h PHE 732 N 0.16 1.18 0.23 4.55 0.05 -0.61 0.60 116.94 123.10 3dpd h PHE 732 Ca 0.07 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 3dpd h PHE 732 Cb 0.18 -0.39 0.00 0.00 2.00 0.00 0.00 35.95 37.74 3dpd h PHE 732 CO -0.01 0.64 -0.11 1.15 -0.18 0.00 0.00 178.31 179.80 3dpd h THR 733 N 1.18 0.82 -0.60 -1.55 2.02 -1.36 0.19 112.91 113.61 3dpd h THR 733 Ca 0.41 -0.22 0.10 0.00 0.77 0.00 0.00 66.41 67.46 3dpd h THR 733 Cb 0.10 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.38 3dpd h THR 733 CO -0.14 0.05 0.20 -0.61 0.37 0.00 0.00 175.52 175.38 3dpd h GLN 734 N -0.42 0.35 -0.50 6.66 4.15 -0.76 -0.04 115.11 124.55 3dpd h GLN 734 Ca -0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3dpd h GLN 734 Cb 0.32 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3dpd h GLN 734 CO 0.05 0.23 0.27 1.96 -1.93 0.00 0.00 178.83 179.41 3dpd h GLN 735 N 0.36 0.70 -0.58 1.69 4.20 -0.56 -2.52 115.11 118.39 3dpd h GLN 735 Ca 0.31 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.83 3dpd h GLN 735 Cb 0.40 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3dpd h GLN 735 CO -0.33 0.55 -0.04 0.28 -0.67 0.00 0.00 178.83 178.62 3dpd h VAL 736 N 0.66 1.27 -0.14 -0.54 2.07 0.14 -2.56 116.25 117.15 3dpd h VAL 736 Ca 0.17 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3dpd h VAL 736 Cb 0.06 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3dpd h VAL 736 CO -0.03 0.43 -0.04 1.56 0.02 0.00 0.00 177.57 179.52 3dpd h GLN 737 N 0.94 -0.00 0.25 1.57 4.20 -0.77 -1.28 115.11 120.01 3dpd h GLN 737 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3dpd h GLN 737 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 3dpd h GLN 737 CO 0.04 -0.00 -0.24 0.28 -0.67 0.00 0.00 178.83 178.24 3dpd h VAL 738 N -0.00 0.49 0.12 -0.54 2.07 -1.39 -1.91 116.25 115.08 3dpd h VAL 738 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3dpd h VAL 738 Cb 0.10 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3dpd h VAL 738 CO -0.14 0.00 -0.43 0.40 0.02 0.00 0.00 177.57 177.42 3dpd h ILE 739 N -0.51 0.00 -0.76 4.57 1.08 -1.28 1.00 117.51 121.60 3dpd h ILE 739 Ca -0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.63 3dpd h ILE 739 Cb 0.47 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.11 3dpd h ILE 739 CO -0.05 0.00 0.20 -0.33 -0.69 0.00 0.00 178.15 177.28 3dpd h GLU 740 N -0.63 0.27 0.09 2.37 5.08 -1.20 0.31 114.58 120.87 3dpd h GLU 740 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dpd h GLU 740 Cb 0.62 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3dpd h GLU 740 CO -0.22 0.18 -0.04 0.52 -1.00 0.00 0.00 179.01 178.44 3dpd h MET 741 N 0.28 -0.12 -0.19 2.33 2.86 -0.75 -2.26 114.93 117.08 3dpd h MET 741 Ca 0.44 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 58.06 3dpd h MET 741 Cb 0.76 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 3dpd h MET 741 CO -0.52 -0.06 0.00 -0.07 1.06 0.00 0.00 176.91 177.32 3dpd h LEU 742 N -0.14 0.25 -0.81 1.22 3.38 0.92 -1.55 115.31 118.59 3dpd h LEU 742 Ca -0.01 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3dpd h LEU 742 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dpd h LEU 742 CO 0.02 0.30 -0.09 1.56 0.09 0.00 0.00 178.44 180.33 3dpd h GLN 743 N 0.28 0.80 0.19 1.13 4.20 -0.15 0.22 115.11 121.79 3dpd h GLN 743 Ca 0.07 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.53 3dpd h GLN 743 Cb 0.19 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3dpd h GLN 743 CO 0.00 0.86 -0.34 -0.22 -0.67 0.00 0.00 178.83 178.46 3dpd h LYS 744 N 0.73 -0.59 0.16 1.46 1.63 -0.70 -1.54 116.57 117.71 3dpd h LYS 744 Ca 0.13 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 3dpd h LYS 744 Cb 0.57 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 3dpd h LYS 744 CO 0.04 -0.40 -0.19 0.28 -3.45 0.00 0.00 179.45 175.73 3dpd h VAL 745 N -0.62 0.57 -0.88 2.00 2.07 -1.30 -0.53 116.25 117.57 3dpd h VAL 745 Ca 0.01 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.76 3dpd h VAL 745 Cb 0.61 0.57 -0.14 0.00 -1.52 0.00 0.00 31.29 30.82 3dpd h VAL 745 CO -0.16 0.00 0.26 0.74 0.02 0.00 0.00 177.57 178.44 3dpd h THR 746 N -0.40 0.34 0.00 2.57 2.02 -0.68 0.50 112.91 117.26 3dpd h THR 746 Ca 0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3dpd h THR 746 Cb 0.39 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3dpd h THR 746 CO -0.07 0.04 -0.12 -0.07 0.37 0.00 0.00 175.52 175.68 3dpd h LEU 747 N 0.24 0.00 0.06 2.58 3.38 -1.04 -3.12 115.31 117.41 3dpd h LEU 747 Ca 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 3dpd h LEU 747 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3dpd h LEU 747 CO -0.63 0.04 -0.03 0.44 0.09 0.00 0.00 178.44 178.35 3dpd h ASP 748 N 0.00 -0.07 0.37 -0.43 3.45 0.16 -3.13 116.42 116.77 3dpd h ASP 748 Ca -0.00 -0.56 0.00 0.00 0.43 0.00 0.00 57.03 56.90 3dpd h ASP 748 Cb 1.03 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3dpd h ASP 748 CO 0.01 0.58 0.00 -0.38 -1.57 0.00 0.00 179.24 177.87 3dpd n ILE 749 N -4.82 1.22 0.08 0.35 2.08 0.01 -2.70 119.36 115.59 3dpd n ILE 749 Ca -0.08 0.35 -0.22 0.00 0.56 0.00 0.00 62.75 63.36 3dpd n ILE 749 Cb 0.31 -1.22 -0.15 0.00 -0.75 0.00 0.00 39.64 37.83 3dpd n ILE 749 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3dpd h LYS 750 N 0.00 0.42 -0.63 0.38 3.11 -1.49 -3.35 116.57 115.02 3dpd h LYS 750 Ca 0.00 -0.68 -0.07 0.00 -2.81 0.00 0.00 60.65 57.09 3dpd h LYS 750 Cb 0.19 0.25 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 3dpd h LYS 750 CO 0.00 1.31 0.12 0.66 -2.81 0.00 0.00 179.45 178.73 3dpd h SER 751 N -0.11 0.95 0.00 4.20 4.64 -1.49 -3.16 113.55 118.58 3dpd h SER 751 Ca -0.18 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3dpd h SER 751 Cb 1.82 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3dpd h SER 751 CO 0.20 0.94 0.00 0.18 -0.87 0.00 0.00 176.83 177.28 3dpd n LEU 752 N -4.23 1.31 -3.65 5.97 4.77 -1.24 -4.53 117.00 115.41 3dpd n LEU 752 Ca 0.04 -0.62 -0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3dpd n LEU 752 Cb 0.27 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3dpd n LEU 752 CO 0.42 0.24 1.03 -0.55 -1.33 0.00 0.00 177.39 177.20 3dpd s SER 753 N 1.43 -0.10 0.00 -1.43 0.15 -1.20 -4.98 113.70 107.58 3dpd s SER 753 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 3dpd s SER 753 Cb 0.00 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 3dpd s SER 753 CO 0.00 -0.03 0.00 0.00 1.20 0.00 0.00 173.24 174.41 3dpd n ALA 754 N 2.58 0.00 0.31 5.45 0.00 -1.26 -4.91 120.51 122.68 3dpd n ALA 754 Ca -0.15 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.46 3dpd n ALA 754 Cb 0.56 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.72 3dpd n ALA 754 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3dpd h GLU 755 N 0.00 0.00 -5.81 0.00 5.08 -2.00 -3.38 114.58 108.47 3dpd h GLU 755 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 3dpd h GLU 755 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3dpd h GLU 755 CO 0.00 0.00 1.93 0.15 -1.00 0.00 0.00 179.01 180.09 3dpd s LYS 756 N -3.64 3.67 0.00 2.33 -0.14 -1.26 -4.79 119.74 115.91 3dpd s LYS 756 Ca 0.01 -1.75 0.00 0.00 -1.36 0.00 0.00 55.97 52.87 3dpd s LYS 756 Cb 0.09 -5.47 0.00 0.00 -1.68 0.00 0.00 37.83 30.78 3dpd s LYS 756 CO 0.46 -2.58 0.41 2.48 -0.76 0.00 0.00 175.35 175.36 3dpd n TYR 757 N 9.58 0.00 -3.99 3.18 0.18 -1.26 -4.58 117.16 120.27 3dpd n TYR 757 Ca 0.47 -0.20 -0.34 0.00 1.88 0.00 0.00 57.90 59.71 3dpd n TYR 757 Cb 0.47 -0.16 -0.14 0.00 -0.38 0.00 0.00 39.34 39.13 3dpd n TYR 757 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3dpd s ASP 758 N 0.90 4.63 -0.47 9.48 1.01 -1.26 -4.63 116.67 126.33 3dpd s ASP 758 Ca 0.00 -1.29 -0.29 0.00 0.71 0.00 0.00 52.55 51.68 3dpd s ASP 758 Cb 0.00 -1.63 -0.09 0.00 1.01 0.00 0.00 42.92 42.20 3dpd s ASP 758 CO 0.00 -0.22 2.37 0.52 0.21 0.00 0.00 175.17 178.05 3dpd n VAL 759 N 4.54 0.07 -0.57 -1.27 0.31 -1.26 -4.91 118.33 115.24 3dpd n VAL 759 Ca -0.14 -0.51 -0.30 0.00 -0.01 0.00 0.00 64.34 63.38 3dpd n VAL 759 Cb 0.43 -2.22 0.22 0.00 -0.91 0.00 0.00 33.84 31.36 3dpd n VAL 759 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3dpd n SER 760 N 13.08 -1.83 0.11 4.52 7.64 -1.26 -4.93 113.62 130.95 3dpd n SER 760 Ca 0.40 -0.08 -0.19 0.00 1.01 0.00 0.00 58.87 60.01 3dpd n SER 760 Cb 0.39 -1.17 -0.15 0.00 -1.01 0.00 0.00 64.21 62.27 3dpd n SER 760 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dpd h SER 761 N -2.37 0.57 0.87 6.43 4.64 -2.02 -3.25 113.55 118.42 3dpd h SER 761 Ca -0.57 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.13 3dpd h SER 761 Cb 1.33 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3dpd h SER 761 CO 0.44 1.49 0.00 0.00 -0.87 0.00 0.00 176.83 177.90 3dpd n GLN 762 N -3.59 0.10 0.08 4.77 10.64 -1.26 -3.02 117.38 125.11 3dpd n GLN 762 Ca -0.12 0.01 0.10 0.00 -1.83 0.00 0.00 57.00 55.16 3dpd n GLN 762 Cb 1.06 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.91 3dpd n GLN 762 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 3dpd n VAL 763 N -1.45 0.61 0.20 -0.39 3.14 -1.23 -3.26 118.33 115.95 3dpd n VAL 763 Ca 0.09 -0.56 0.06 0.00 -2.96 0.00 0.00 64.34 60.96 3dpd n VAL 763 Cb 0.31 -0.34 0.40 0.00 -1.06 0.00 0.00 33.84 33.15 3dpd n VAL 763 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3dpd h ILE 764 N 0.00 0.95 0.18 1.55 2.04 -1.57 -2.56 117.51 118.10 3dpd h ILE 764 Ca -0.02 -1.34 -0.32 0.00 1.00 0.00 0.00 64.86 64.18 3dpd h ILE 764 Cb 1.06 1.79 0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3dpd h ILE 764 CO 0.00 0.34 -1.52 -1.28 0.00 0.00 0.00 178.15 175.69 3dpd h SER 765 N 0.00 0.61 -0.43 1.72 0.87 -1.68 -2.81 113.55 111.83 3dpd h SER 765 Ca -0.00 -0.75 0.08 0.00 -1.23 0.00 0.00 61.79 59.89 3dpd h SER 765 Cb 0.76 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 3dpd h SER 765 CO 0.05 1.60 -0.03 1.56 -0.53 0.00 0.00 176.83 179.48 3dpd h GLN 766 N 0.11 0.08 0.53 2.24 1.08 -1.46 0.49 115.11 118.17 3dpd h GLN 766 Ca -0.25 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.92 3dpd h GLN 766 Cb 2.08 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 29.50 3dpd h GLN 766 CO 0.21 0.05 -0.25 1.25 -0.95 0.00 0.00 178.83 179.14 3dpd h LEU 767 N 0.08 -0.60 -1.10 1.46 7.12 -1.55 -1.54 115.31 119.18 3dpd h LEU 767 Ca 0.21 0.02 0.29 0.00 0.13 0.00 0.00 57.88 58.53 3dpd h LEU 767 Cb 0.31 0.15 -0.13 0.00 -0.53 0.00 0.00 40.66 40.47 3dpd h LEU 767 CO -0.37 -0.35 0.62 0.11 -0.13 0.00 0.00 178.44 178.32 3dpd h LYS 768 N -0.87 0.42 0.12 1.25 1.57 -1.37 -0.50 116.57 117.19 3dpd h LYS 768 Ca -0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3dpd h LYS 768 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3dpd h LYS 768 CO 0.12 0.28 -0.06 0.37 -0.57 0.00 0.00 179.45 179.59 3dpd h GLN 769 N 0.43 -0.15 -1.01 3.15 5.75 0.06 -3.00 115.11 120.35 3dpd h GLN 769 Ca 0.68 0.01 0.24 0.00 -0.15 0.00 0.00 58.65 59.42 3dpd h GLN 769 Cb 1.51 0.03 -0.11 0.00 1.07 0.00 0.00 27.48 29.99 3dpd h GLN 769 CO -0.48 -0.10 0.62 0.87 -2.65 0.00 0.00 178.83 177.09 3dpd h LYS 770 N -0.18 0.55 -0.35 1.69 1.79 -0.68 -0.97 116.57 118.43 3dpd h LYS 770 Ca -0.02 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3dpd h LYS 770 Cb 0.12 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 3dpd h LYS 770 CO 0.03 0.37 0.08 -0.07 -1.08 0.00 0.00 179.45 178.77 3dpd h LEU 771 N 0.57 0.04 -1.10 2.94 3.38 -1.14 -1.18 115.31 118.82 3dpd h LEU 771 Ca 0.61 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.55 3dpd h LEU 771 Cb 1.23 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3dpd h LEU 771 CO -0.40 0.06 -0.26 -0.33 0.09 0.00 0.00 178.44 177.61 3dpd h GLU 772 N 0.21 0.32 -0.40 1.13 5.08 -1.06 -2.08 114.58 117.78 3dpd h GLU 772 Ca 0.16 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3dpd h GLU 772 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3dpd h GLU 772 CO -0.20 0.56 0.34 -0.91 -1.00 0.00 0.00 179.01 177.79 3dpd h ASN 773 N 0.29 0.00 0.19 1.42 4.21 -0.44 -1.07 115.58 120.18 3dpd h ASN 773 Ca 0.04 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.20 3dpd h ASN 773 Cb 0.61 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 3dpd h ASN 773 CO 0.04 0.00 -1.92 -0.07 -1.29 0.00 0.00 177.43 174.20 3dpd h LEU 774 N 0.00 0.38 -1.55 1.61 3.38 -1.03 -3.36 115.31 114.74 3dpd h LEU 774 Ca 0.19 -0.81 0.12 0.00 0.09 0.00 0.00 57.88 57.47 3dpd h LEU 774 Cb 0.86 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3dpd h LEU 774 CO -0.00 1.72 0.47 -0.61 0.09 0.00 0.00 178.44 180.11 3dpd h GLN 775 N 0.07 0.47 0.00 1.13 5.75 -0.73 0.34 115.11 122.13 3dpd h GLN 775 Ca -0.39 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 3dpd h GLN 775 Cb 2.04 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 30.48 3dpd h GLN 775 CO 0.10 0.31 0.00 0.09 -2.65 0.00 0.00 178.83 176.68 3dpd n ASN 776 N -4.48 0.00 -1.82 -0.69 3.02 -0.86 -4.43 115.26 106.00 3dpd n ASN 776 Ca 0.12 0.39 0.02 0.00 -0.03 0.00 0.00 54.58 55.09 3dpd n ASN 776 Cb 0.42 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.62 3dpd n ASN 776 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3dpd n SER 777 N -0.76 0.88 0.00 6.41 2.88 -1.23 -4.95 113.62 116.84 3dpd n SER 777 Ca 0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 3dpd n SER 777 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 3dpd n SER 777 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dpd n GLN 778 N 0.12 0.00 -1.47 -1.46 1.13 -0.19 -4.97 117.38 110.53 3dpd n GLN 778 Ca 0.02 0.00 -0.55 0.00 -1.94 0.00 0.00 57.00 54.54 3dpd n GLN 778 Cb 1.02 -0.12 -0.08 0.00 0.11 0.00 0.00 30.24 31.16 3dpd n GLN 778 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3dpd n LEU 779 N -1.99 1.88 -4.14 1.08 7.94 -0.07 -4.85 117.00 116.86 3dpd n LEU 779 Ca 0.00 0.64 -0.35 0.00 -1.11 0.00 0.00 56.01 55.19 3dpd n LEU 779 Cb 0.00 -1.15 0.07 0.00 0.53 0.00 0.00 43.42 42.87 3dpd n LEU 779 CO 0.00 -0.66 -0.92 -2.65 -1.11 0.00 0.00 177.39 172.05 3dpd n PRO 780 N 7.32 -0.09 -0.26 1.96 -0.02 -1.26 -4.81 135.00 137.84 3dpd n PRO 780 Ca 0.41 -0.01 -0.03 0.00 -2.02 0.00 0.00 63.50 61.84 3dpd n PRO 780 Cb 0.14 -1.28 0.02 0.00 -0.02 0.00 0.00 33.50 32.36 3dpd n PRO 780 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dpd h GLU 781 N -1.16 -0.10 -0.65 -0.52 4.39 -1.96 -3.41 114.58 111.17 3dpd h GLU 781 Ca -0.44 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.39 3dpd h GLU 781 Cb 1.30 0.02 -0.20 0.00 -0.10 0.00 0.00 28.75 29.77 3dpd h GLU 781 CO 0.27 -0.07 -0.21 -1.54 -1.16 0.00 0.00 179.01 176.31 3dpd s SER 782 N -5.23 -1.07 1.08 1.42 1.04 -1.26 -3.98 113.70 105.70 3dpd s SER 782 Ca -0.14 0.14 -0.16 0.00 0.48 0.00 0.00 55.95 56.26 3dpd s SER 782 Cb 0.18 1.68 0.23 0.00 0.10 0.00 0.00 66.02 68.21 3dpd s SER 782 CO 0.70 -0.20 1.14 0.72 0.98 0.00 0.00 173.24 176.59 3dpd s PHE 783 N 2.89 1.30 -0.08 5.02 -0.71 -0.98 -4.69 117.98 120.73 3dpd s PHE 783 Ca 0.18 0.62 -0.02 0.00 -1.04 0.00 0.00 56.93 56.67 3dpd s PHE 783 Cb -0.06 -3.51 -0.03 0.00 -1.21 0.00 0.00 43.02 38.20 3dpd s PHE 783 CO -0.24 -3.26 0.00 0.50 -1.34 0.00 0.00 175.22 170.88 3dpd s ARG 784 N -5.38 2.99 -0.45 1.99 3.52 -1.26 -1.26 118.95 119.09 3dpd s ARG 784 Ca 0.69 -0.40 -0.28 0.00 -0.13 0.00 0.00 55.73 55.61 3dpd s ARG 784 Cb -0.11 -2.80 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 3dpd s ARG 784 CO 0.55 0.70 1.75 0.08 -0.81 0.00 0.00 175.30 177.58 3dpd s VAL 785 N -0.89 3.51 0.20 7.11 1.01 -0.52 -4.88 120.40 125.93 3dpd s VAL 785 Ca 0.13 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 3dpd s VAL 785 Cb -0.11 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.53 3dpd s VAL 785 CO 0.02 -0.66 1.55 -0.65 0.00 0.00 0.00 175.10 175.36 3dpd h PRO 786 N 13.24 -0.04 0.00 2.72 0.11 -1.96 0.51 132.00 146.58 3dpd h PRO 786 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3dpd h PRO 786 Cb 1.15 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dpd h PRO 786 CO 1.11 -0.03 0.00 2.48 -0.21 0.00 0.00 178.00 181.35 3dpd n TYR 787 N -5.40 0.00 -3.05 0.65 0.18 -1.26 -3.86 117.16 104.42 3dpd n TYR 787 Ca 0.06 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.67 3dpd n TYR 787 Cb 0.35 -0.22 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 3dpd n TYR 787 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3dpd n ASP 788 N -1.22 -1.40 0.22 9.48 -0.08 0.17 -4.87 116.55 118.85 3dpd n ASP 788 Ca 0.10 -2.81 0.17 0.00 -1.51 0.00 0.00 54.79 50.74 3dpd n ASP 788 Cb 0.13 0.43 0.77 0.00 2.34 0.00 0.00 41.12 44.79 3dpd n ASP 788 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3dpd h PRO 789 N 4.56 0.00 0.00 -0.67 0.13 -1.40 0.53 132.00 135.14 3dpd h PRO 789 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 3dpd h PRO 789 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3dpd h PRO 789 CO 0.33 0.00 -0.39 0.78 -0.23 0.00 0.00 178.00 178.48 3dpd h GLY 790 N 0.00 0.00 -4.91 1.56 0.00 -1.89 -3.45 103.07 94.38 3dpd h GLY 790 Ca 0.09 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.86 3dpd h GLY 790 CO -0.00 0.00 0.05 1.08 0.00 0.00 0.00 176.54 177.66 3dpd s LEU 791 N -7.09 4.38 -0.26 3.11 1.43 0.18 -1.31 118.68 119.12 3dpd s LEU 791 Ca 0.00 1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 54.24 3dpd s LEU 791 Cb 0.11 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 3dpd s LEU 791 CO 0.69 0.01 0.06 -0.54 0.23 0.00 0.00 176.35 176.80 3dpd s LYS 792 N 0.21 3.46 -0.19 1.70 -0.14 -1.26 -1.44 119.74 122.07 3dpd s LYS 792 Ca 0.34 -0.61 -0.14 0.00 -1.36 0.00 0.00 55.97 54.21 3dpd s LYS 792 Cb -0.18 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.63 3dpd s LYS 792 CO 0.18 -0.26 0.29 0.00 -0.76 0.00 0.00 175.35 174.80 3dpd s ALA 793 N 1.56 3.59 0.13 5.17 0.00 -0.39 -1.73 121.76 130.09 3dpd s ALA 793 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3dpd s ALA 793 Cb -0.16 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3dpd s ALA 793 CO 0.02 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3dpd n GLY 794 N 3.71 1.56 3.69 0.00 0.00 0.32 -2.32 105.19 112.15 3dpd n GLY 794 Ca -0.12 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3dpd n GLY 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpd s ALA 795 N -3.34 1.64 1.00 4.61 0.00 -1.26 -4.52 121.76 119.89 3dpd s ALA 795 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3dpd s ALA 795 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3dpd s ALA 795 CO 0.00 -2.55 0.00 1.28 0.00 0.00 0.00 175.76 174.49 3dpd n LEU 796 N -3.89 0.00 -2.72 0.00 4.77 -1.26 -1.37 117.00 112.53 3dpd n LEU 796 Ca 0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.02 3dpd n LEU 796 Cb 0.52 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.70 3dpd n LEU 796 CO 0.49 -0.24 0.40 0.00 -1.33 0.00 0.00 177.39 176.71 3dpd n ALA 797 N -3.00 -0.45 -0.20 -1.18 0.00 -1.06 -4.28 120.51 110.35 3dpd n ALA 797 Ca 0.00 -1.37 0.12 0.00 0.00 0.00 0.00 53.44 52.19 3dpd n ALA 797 Cb 0.00 -1.20 0.23 0.00 0.00 0.00 0.00 19.45 18.48 3dpd n ALA 797 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dpd n ILE 798 N 0.14 -0.24 -0.22 0.00 -0.00 -1.26 0.59 119.36 118.37 3dpd n ILE 798 Ca 0.03 1.24 0.03 0.00 -0.00 0.00 0.00 62.75 64.05 3dpd n ILE 798 Cb 0.73 -1.88 0.14 0.00 -0.00 0.00 0.00 39.64 38.63 3dpd n ILE 798 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 3dpd h GLU 799 N 0.00 0.27 -0.17 0.38 4.11 -1.97 -1.03 114.58 116.17 3dpd h GLU 799 Ca 0.40 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.81 3dpd h GLU 799 Cb 0.93 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3dpd h GLU 799 CO -0.51 0.18 0.00 1.63 0.07 0.00 0.00 179.01 180.37 3dpd n LYS 800 N -5.13 1.68 -3.40 1.06 5.02 0.20 -4.91 118.16 112.67 3dpd n LYS 800 Ca 0.11 -1.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.03 3dpd n LYS 800 Cb 0.37 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3dpd n LYS 800 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dpd n LYS 802 N 0.33 0.00 -3.78 0.00 2.85 -0.69 -4.91 118.16 111.97 3dpd n LYS 802 Ca -0.03 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.94 3dpd n LYS 802 Cb 0.52 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.74 3dpd n LYS 802 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3dpd s VAL 803 N -2.96 0.89 0.34 0.58 1.01 -1.26 -1.85 120.40 117.15 3dpd s VAL 803 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 3dpd s VAL 803 Cb 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 36.38 34.75 3dpd s VAL 803 CO 0.00 -0.40 0.47 0.23 0.00 0.00 0.00 175.10 175.40 3dpd n MET 804 N 4.88 0.36 -1.04 2.72 2.81 -1.25 -4.74 117.12 120.85 3dpd n MET 804 Ca -0.06 0.13 -0.29 0.00 -1.81 0.00 0.00 57.70 55.67 3dpd n MET 804 Cb 0.44 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.63 3dpd n MET 804 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dpd n ALA 805 N -0.55 6.29 -2.62 3.04 0.00 -1.26 -4.27 120.51 121.14 3dpd n ALA 805 Ca 0.13 -2.69 -0.32 0.00 0.00 0.00 0.00 53.44 50.56 3dpd n ALA 805 Cb 0.35 -3.07 -0.10 0.00 0.00 0.00 0.00 19.45 16.63 3dpd n ALA 805 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dpd s SER 806 N 2.57 4.76 0.00 0.00 0.15 -1.26 -4.97 113.70 114.95 3dpd s SER 806 Ca 0.58 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 57.09 3dpd s SER 806 Cb 0.17 -1.12 0.09 0.00 -1.71 0.00 0.00 66.02 63.44 3dpd s SER 806 CO -0.04 0.25 0.40 0.29 1.20 0.00 0.00 173.24 175.34 3dpd n LYS 807 N 1.28 0.08 -0.00 5.44 4.01 -1.26 -0.10 118.16 127.61 3dpd n LYS 807 Ca -0.14 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.67 3dpd n LYS 807 Cb 0.52 -1.28 -0.02 0.00 -0.51 0.00 0.00 35.03 33.74 3dpd n LYS 807 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3dpd n LYS 808 N -0.78 0.71 -3.02 1.97 5.02 -1.26 -4.98 118.16 115.82 3dpd n LYS 808 Ca 0.01 -0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 3dpd n LYS 808 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3dpd n LYS 808 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dpd n LYS 809 N -1.55 -1.54 0.00 1.97 4.76 0.86 -4.80 118.16 117.86 3dpd n LYS 809 Ca -0.00 1.63 0.00 0.00 -2.87 0.00 0.00 58.31 57.06 3dpd n LYS 809 Cb 0.07 -5.74 0.00 0.00 -1.84 0.00 0.00 35.03 27.52 3dpd n LYS 809 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3dpd n PRO 810 N -1.47 0.17 -3.58 1.97 -0.02 -1.26 -4.73 135.00 126.08 3dpd n PRO 810 Ca 0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 3dpd n PRO 810 Cb 0.49 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.82 3dpd n PRO 810 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dpd s LEU 811 N 0.00 0.77 -0.45 2.45 1.43 -0.11 -3.95 118.68 118.82 3dpd s LEU 811 Ca 0.00 -1.25 -0.29 0.00 -1.03 0.00 0.00 54.13 51.56 3dpd s LEU 811 Cb 0.00 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.83 3dpd s LEU 811 CO 0.00 -0.42 1.21 0.86 0.23 0.00 0.00 176.35 178.23 3dpd s TRP 812 N 2.03 2.72 -0.01 0.29 -0.11 -0.77 -2.84 118.94 120.25 3dpd s TRP 812 Ca 0.08 0.73 0.07 0.00 1.22 0.00 0.00 56.10 58.20 3dpd s TRP 812 Cb -0.16 -4.36 -0.02 0.00 -1.50 0.00 0.00 33.47 27.42 3dpd s TRP 812 CO -0.31 -1.44 -0.23 -0.51 -4.62 0.00 0.00 176.95 169.83 3dpd s LEU 813 N 4.67 2.22 0.02 5.86 1.43 -0.73 -1.70 118.68 130.46 3dpd s LEU 813 Ca 0.51 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 3dpd s LEU 813 Cb -0.09 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3dpd s LEU 813 CO 0.31 0.31 -0.26 -1.61 0.23 0.00 0.00 176.35 175.33 3dpd s GLU 814 N -0.77 1.92 0.09 1.70 0.41 -1.26 -1.46 118.70 119.34 3dpd s GLU 814 Ca 0.11 -1.04 0.06 0.00 -0.41 0.00 0.00 54.97 53.68 3dpd s GLU 814 Cb -0.10 -2.01 -0.03 0.00 -1.78 0.00 0.00 34.13 30.21 3dpd s GLU 814 CO 0.00 0.53 -0.15 -0.06 -0.49 0.00 0.00 175.26 175.09 3dpd s PHE 815 N -0.74 1.33 0.37 1.61 0.40 0.50 -2.56 117.98 118.89 3dpd s PHE 815 Ca 0.11 -0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 3dpd s PHE 815 Cb -0.10 -0.73 -0.07 0.00 0.51 0.00 0.00 43.02 42.63 3dpd s PHE 815 CO 0.01 0.10 0.73 0.15 0.70 0.00 0.00 175.22 176.90 3dpd s LYS 816 N -2.02 3.80 -0.23 0.44 1.02 -0.47 0.83 119.74 123.10 3dpd s LYS 816 Ca 0.02 0.44 -0.25 0.00 0.02 0.00 0.00 55.97 56.20 3dpd s LYS 816 Cb -0.09 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 3dpd s LYS 816 CO 0.03 0.05 0.85 0.00 -0.92 0.00 0.00 175.35 175.35 3dpd h ALA 818 N 7.60 1.00 -2.03 0.00 0.00 -1.59 -3.40 119.26 120.84 3dpd h ALA 818 Ca -0.23 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.02 3dpd h ALA 818 Cb 1.09 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 3dpd h ALA 818 CO 0.88 0.00 0.22 0.34 0.00 0.00 0.00 179.25 180.69 3dpd s ASP 819 N -5.06 6.28 0.00 0.00 2.15 -1.26 -4.91 116.67 113.88 3dpd s ASP 819 Ca -0.03 -0.61 0.06 0.00 0.43 0.00 0.00 52.55 52.39 3dpd s ASP 819 Cb 0.11 -2.34 0.33 0.00 -0.30 0.00 0.00 42.92 40.72 3dpd s ASP 819 CO 0.40 -0.97 0.73 -2.65 -0.17 0.00 0.00 175.17 172.52 3dpd n PRO 820 N 6.58 0.23 0.06 4.34 -0.02 -1.26 -1.86 135.00 143.07 3dpd n PRO 820 Ca -0.03 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.55 3dpd n PRO 820 Cb 0.47 -1.37 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 3dpd n PRO 820 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3dpd n THR 821 N -0.87 0.49 -1.65 3.45 -1.04 -1.26 -4.89 114.28 108.50 3dpd n THR 821 Ca 0.04 -0.55 -0.47 0.00 -2.04 0.00 0.00 64.05 61.03 3dpd n THR 821 Cb 0.02 -0.27 -0.04 0.00 -1.82 0.00 0.00 70.33 68.22 3dpd n THR 821 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dpd n ALA 822 N -2.24 1.11 -1.00 2.41 0.00 -0.78 -4.20 120.51 115.82 3dpd n ALA 822 Ca -0.03 0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.31 3dpd n ALA 822 Cb 0.59 -2.58 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 3dpd n ALA 822 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dpd n LEU 823 N 7.71 6.50 -3.63 0.00 7.99 -1.26 -4.72 117.00 129.58 3dpd n LEU 823 Ca 0.25 -3.50 -0.05 0.00 -0.01 0.00 0.00 56.01 52.70 3dpd n LEU 823 Cb 0.32 -1.30 -0.06 0.00 -0.11 0.00 0.00 43.42 42.27 3dpd n LEU 823 CO 0.72 1.37 1.00 -0.55 -1.51 0.00 0.00 177.39 178.41 3dpd s SER 824 N 2.66 -0.19 0.00 -1.43 0.15 -1.26 -5.01 113.70 108.62 3dpd s SER 824 Ca 0.55 0.30 0.24 0.00 0.70 0.00 0.00 55.95 57.74 3dpd s SER 824 Cb 0.16 0.28 0.34 0.00 -1.71 0.00 0.00 66.02 65.09 3dpd s SER 824 CO -0.04 -0.12 1.30 -3.20 1.20 0.00 0.00 173.24 172.38 3dpd n ASN 825 N 1.23 0.61 -4.51 5.45 4.05 -1.26 -4.96 115.26 115.87 3dpd n ASN 825 Ca -0.08 -0.41 -0.54 0.00 0.45 0.00 0.00 54.58 54.00 3dpd n ASN 825 Cb 0.57 0.42 -0.06 0.00 1.23 0.00 0.00 39.78 41.94 3dpd n ASN 825 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3dpd n GLU 826 N -1.51 0.39 -0.79 1.20 2.13 -1.26 -4.88 120.64 115.92 3dpd n GLU 826 Ca 0.05 0.14 -0.12 0.00 0.66 0.00 0.00 57.16 57.89 3dpd n GLU 826 Cb 0.34 -1.58 0.09 0.00 0.27 0.00 0.00 31.44 30.55 3dpd n GLU 826 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3dpd n THR 827 N 1.41 0.00 -4.07 6.31 -2.24 -1.26 -4.65 114.28 109.78 3dpd n THR 827 Ca 0.19 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 3dpd n THR 827 Cb 0.16 -1.79 -0.15 0.00 -2.10 0.00 0.00 70.33 66.44 3dpd n THR 827 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dpd s ILE 828 N -2.21 2.30 -0.28 2.28 1.01 0.24 -4.87 121.20 119.67 3dpd s ILE 828 Ca 0.31 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 59.73 3dpd s ILE 828 Cb -0.01 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3dpd s ILE 828 CO 0.22 0.36 0.44 -0.83 0.00 0.00 0.00 174.94 175.13 3dpd s GLY 829 N 1.27 1.86 0.01 6.18 0.00 -1.26 -0.37 107.32 115.00 3dpd s GLY 829 Ca 0.01 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.98 3dpd s GLY 829 CO -0.09 1.11 -0.12 -0.42 0.00 0.00 0.00 173.10 173.58 3dpd s ILE 830 N 2.20 0.92 0.13 0.90 1.01 -0.53 -0.81 121.20 125.02 3dpd s ILE 830 Ca 0.17 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.25 3dpd s ILE 830 Cb -0.16 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3dpd s ILE 830 CO 0.10 0.14 -0.16 -0.63 0.00 0.00 0.00 174.94 174.39 3dpd s ILE 831 N -0.50 2.94 -0.10 2.92 1.01 0.28 -1.77 121.20 125.99 3dpd s ILE 831 Ca 0.03 -1.54 -0.00 0.00 0.00 0.00 0.00 60.65 59.14 3dpd s ILE 831 Cb -0.06 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3dpd s ILE 831 CO 0.00 0.05 -0.07 -0.36 0.00 0.00 0.00 174.94 174.56 3dpd s PHE 832 N -1.29 1.31 0.14 3.97 0.40 -1.13 0.02 117.98 121.40 3dpd s PHE 832 Ca 0.20 -0.59 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3dpd s PHE 832 Cb -0.10 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 3dpd s PHE 832 CO 0.11 -0.43 -0.07 0.21 0.70 0.00 0.00 175.22 175.74 3dpd s LYS 833 N 1.56 1.02 -0.03 0.44 2.20 -1.05 -0.93 119.74 122.95 3dpd s LYS 833 Ca 0.01 -1.44 -0.03 0.00 -0.36 0.00 0.00 55.97 54.16 3dpd s LYS 833 Cb -0.13 -0.46 0.01 0.00 -1.51 0.00 0.00 37.83 35.74 3dpd s LYS 833 CO -0.06 0.02 0.09 -1.58 -0.36 0.00 0.00 175.35 173.46 3dpd s HIS 834 N -3.45 -0.09 0.00 4.03 5.65 -1.25 -2.81 115.29 117.36 3dpd s HIS 834 Ca 0.17 0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.72 3dpd s HIS 834 Cb 0.04 0.01 0.00 0.00 -1.18 0.00 0.00 32.58 31.45 3dpd s HIS 834 CO -0.00 -0.06 0.00 0.41 -0.65 0.00 0.00 174.74 174.44 3dpd n GLY 835 N 3.21 1.14 3.38 1.59 0.00 -0.56 -4.90 105.19 109.04 3dpd n GLY 835 Ca -0.14 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 3dpd n GLY 835 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dpd s ASP 836 N -0.62 3.86 -0.77 1.61 1.01 -1.25 -5.00 116.67 115.51 3dpd s ASP 836 Ca 0.00 -0.33 -0.26 0.00 0.71 0.00 0.00 52.55 52.68 3dpd s ASP 836 Cb 0.00 -1.32 -0.02 0.00 1.01 0.00 0.00 42.92 42.59 3dpd s ASP 836 CO 0.00 0.22 1.78 -0.62 0.21 0.00 0.00 175.17 176.76 3dpd s ASP 837 N 0.01 5.45 0.00 0.27 2.15 -1.26 -4.47 116.67 118.82 3dpd s ASP 837 Ca -0.05 -0.29 0.06 0.00 0.43 0.00 0.00 52.55 52.70 3dpd s ASP 837 Cb -0.14 -2.55 0.28 0.00 -0.30 0.00 0.00 42.92 40.21 3dpd s ASP 837 CO 0.04 -2.35 0.99 0.18 -0.17 0.00 0.00 175.17 173.86 3dpd n LEU 838 N 12.39 0.00 0.04 -1.34 4.77 -1.26 -1.92 117.00 129.68 3dpd n LEU 838 Ca 0.26 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.47 3dpd n LEU 838 Cb 0.50 -0.26 0.22 0.00 -2.33 0.00 0.00 43.42 41.56 3dpd n LEU 838 CO 0.67 -0.21 0.73 0.03 -1.33 0.00 0.00 177.39 177.28 3dpd h ARG 839 N 0.00 0.41 -0.18 3.23 3.08 -1.90 -1.05 114.38 117.96 3dpd h ARG 839 Ca 0.00 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.72 3dpd h ARG 839 Cb 0.05 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.08 3dpd h ARG 839 CO 0.00 0.65 -0.57 1.96 -1.07 0.00 0.00 179.97 180.94 3dpd h GLN 840 N 0.36 0.70 -0.83 0.04 4.20 -1.69 -2.56 115.11 115.34 3dpd h GLN 840 Ca 0.05 -0.51 0.06 0.00 0.06 0.00 0.00 58.65 58.31 3dpd h GLN 840 Cb 0.67 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 3dpd h GLN 840 CO 0.05 1.13 0.54 -0.44 -0.67 0.00 0.00 178.83 179.45 3dpd h ASP 841 N 0.40 0.81 0.93 1.46 5.19 -1.61 -1.93 116.42 121.67 3dpd h ASP 841 Ca -0.02 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 3dpd h ASP 841 Cb 1.19 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 40.54 3dpd h ASP 841 CO 0.12 0.53 -0.45 0.24 -3.12 0.00 0.00 179.24 176.57 3dpd h MET 842 N 0.93 -1.20 -0.13 3.56 2.86 -0.94 -0.38 114.93 119.63 3dpd h MET 842 Ca 0.35 0.08 0.03 0.00 -2.06 0.00 0.00 59.70 58.10 3dpd h MET 842 Cb 0.19 0.27 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 3dpd h MET 842 CO -0.12 -0.80 -0.54 -0.07 1.06 0.00 0.00 176.91 176.44 3dpd h LEU 843 N -1.34 -1.69 -1.35 1.22 4.07 -1.30 0.36 115.31 115.28 3dpd h LEU 843 Ca -0.13 0.20 0.18 0.00 0.08 0.00 0.00 57.88 58.21 3dpd h LEU 843 Cb 0.96 0.66 -0.07 0.00 1.08 0.00 0.00 40.66 43.28 3dpd h LEU 843 CO 0.21 -0.48 0.59 0.40 -1.08 0.00 0.00 178.44 178.07 3dpd h ILE 844 N -0.58 0.75 -0.25 1.22 1.08 -1.38 -0.04 117.51 118.30 3dpd h ILE 844 Ca 0.04 -0.20 -0.15 0.00 -0.39 0.00 0.00 64.86 64.15 3dpd h ILE 844 Cb 0.68 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 3dpd h ILE 844 CO -0.43 0.10 -0.44 -0.07 -0.69 0.00 0.00 178.15 176.62 3dpd h LEU 845 N 0.57 0.82 -1.02 1.44 4.07 -0.09 -2.85 115.31 118.25 3dpd h LEU 845 Ca 0.47 -0.53 -0.09 0.00 0.08 0.00 0.00 57.88 57.81 3dpd h LEU 845 Cb 0.94 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 3dpd h LEU 845 CO -0.22 1.20 -0.29 -0.61 -1.08 0.00 0.00 178.44 177.43 3dpd h GLN 846 N 0.47 0.34 -0.52 1.13 5.75 0.60 -1.59 115.11 121.29 3dpd h GLN 846 Ca 0.02 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.34 3dpd h GLN 846 Cb 1.04 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 3dpd h GLN 846 CO 0.10 0.61 0.12 0.82 -2.65 0.00 0.00 178.83 177.83 3dpd h ILE 847 N 0.30 1.22 -0.37 2.39 1.08 -1.05 -2.16 117.51 118.91 3dpd h ILE 847 Ca 0.04 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 3dpd h ILE 847 Cb 0.68 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3dpd h ILE 847 CO 0.05 0.29 0.12 -0.07 -0.69 0.00 0.00 178.15 177.85 3dpd h LEU 848 N 0.76 0.48 -0.90 1.44 4.07 -1.06 0.68 115.31 120.78 3dpd h LEU 848 Ca 0.17 -0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.97 3dpd h LEU 848 Cb 0.28 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3dpd h LEU 848 CO -0.00 0.47 -0.48 0.03 -1.08 0.00 0.00 178.44 177.38 3dpd h ARG 849 N 0.53 0.00 0.31 1.13 3.08 -1.05 -2.34 114.38 116.04 3dpd h ARG 849 Ca 0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3dpd h ARG 849 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3dpd h ARG 849 CO -0.01 0.48 -0.15 0.82 -1.07 0.00 0.00 179.97 180.04 3dpd h ILE 850 N 0.00 0.67 -0.39 2.04 1.08 -0.33 -2.52 117.51 118.06 3dpd h ILE 850 Ca -0.00 -0.61 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 3dpd h ILE 850 Cb 0.95 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 3dpd h ILE 850 CO 0.06 0.11 0.29 0.24 -0.69 0.00 0.00 178.15 178.17 3dpd h MET 851 N -0.78 0.00 -0.22 2.37 2.86 -0.99 0.44 114.93 118.61 3dpd h MET 851 Ca -0.04 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.40 3dpd h MET 851 Cb 0.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.17 3dpd h MET 851 CO 0.07 0.00 -0.62 0.93 1.06 0.00 0.00 176.91 178.35 3dpd h GLU 852 N 0.00 0.80 -0.03 1.72 5.08 -1.29 -2.04 114.58 118.81 3dpd h GLU 852 Ca 0.18 -0.57 -0.18 0.00 -1.00 0.00 0.00 59.36 57.79 3dpd h GLU 852 Cb 0.76 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3dpd h GLU 852 CO -0.00 1.20 -0.78 0.66 -1.00 0.00 0.00 179.01 179.09 3dpd h SER 853 N 0.55 0.33 -0.81 1.42 4.64 -0.70 -1.90 113.55 117.07 3dpd h SER 853 Ca -0.02 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3dpd h SER 853 Cb 1.24 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 3dpd h SER 853 CO 0.13 0.98 0.54 0.40 -0.87 0.00 0.00 176.83 178.02 3dpd h ILE 854 N 0.17 1.20 -0.11 0.95 2.04 -0.11 -1.40 117.51 120.25 3dpd h ILE 854 Ca -0.03 -0.37 -0.18 0.00 1.00 0.00 0.00 64.86 65.27 3dpd h ILE 854 Cb 1.36 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3dpd h ILE 854 CO 0.12 0.20 -0.69 -0.50 0.00 0.00 0.00 178.15 177.28 3dpd h TRP 855 N 1.09 0.63 -0.24 1.37 6.55 -1.17 -3.00 115.95 121.18 3dpd h TRP 855 Ca 0.30 -0.27 0.07 0.00 0.95 0.00 0.00 58.89 59.95 3dpd h TRP 855 Cb -0.10 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.08 3dpd h TRP 855 CO -0.00 1.02 0.20 1.49 -1.05 0.00 0.00 178.44 180.10 3dpd h GLU 856 N 0.34 0.00 -0.08 0.49 4.81 -0.44 0.31 114.58 120.00 3dpd h GLU 856 Ca -0.02 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 3dpd h GLU 856 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3dpd h GLU 856 CO 0.12 0.00 -0.40 1.79 -0.73 0.00 0.00 179.01 179.79 3dpd h THR 857 N 0.00 1.30 -0.56 0.32 1.35 -1.30 -1.83 112.91 112.18 3dpd h THR 857 Ca 0.11 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3dpd h THR 857 Cb 0.51 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3dpd h THR 857 CO -0.00 0.43 0.00 1.21 -0.25 0.00 0.00 175.52 176.91 3dpd n GLU 858 N -4.04 4.32 -3.38 4.72 2.13 0.91 -4.98 120.64 120.32 3dpd n GLU 858 Ca -0.01 -3.04 -0.20 0.00 0.66 0.00 0.00 57.16 54.57 3dpd n GLU 858 Cb 0.46 -2.09 0.01 0.00 0.27 0.00 0.00 31.44 30.09 3dpd n GLU 858 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3dpd n SER 859 N 0.66 -6.26 -3.67 4.31 7.64 -0.14 -5.01 113.62 111.15 3dpd n SER 859 Ca 0.26 -0.28 -0.09 0.00 1.01 0.00 0.00 58.87 59.77 3dpd n SER 859 Cb 1.06 -3.18 -0.09 0.00 -1.01 0.00 0.00 64.21 60.99 3dpd n SER 859 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dpd s LEU 860 N -3.67 -0.46 -0.03 -3.43 0.20 -0.79 -4.91 118.68 105.59 3dpd s LEU 860 Ca 0.15 1.16 0.04 0.00 0.69 0.00 0.00 54.13 56.16 3dpd s LEU 860 Cb -0.02 1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 47.50 3dpd s LEU 860 CO 0.84 -0.21 -0.13 -0.62 -0.29 0.00 0.00 176.35 175.93 3dpd s ASP 861 N 1.52 4.16 0.00 3.68 -1.08 -1.26 -3.65 116.67 120.03 3dpd s ASP 861 Ca -0.10 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 3dpd s ASP 861 Cb -0.07 -0.89 0.00 0.00 -1.46 0.00 0.00 42.92 40.50 3dpd s ASP 861 CO -0.16 0.33 0.77 0.18 0.52 0.00 0.00 175.17 176.81 3dpd n LEU 862 N 2.10 1.14 -2.62 -1.34 7.99 -1.26 -4.95 117.00 118.05 3dpd n LEU 862 Ca -0.17 -1.14 -0.10 0.00 -0.01 0.00 0.00 56.01 54.59 3dpd n LEU 862 Cb 0.52 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.83 3dpd n LEU 862 CO 0.26 0.29 -0.09 0.00 -1.51 0.00 0.00 177.39 176.34 3dpd n LEU 864 N -2.84 1.46 -3.76 0.00 4.77 -1.26 -4.80 117.00 110.58 3dpd n LEU 864 Ca -0.07 0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 55.94 3dpd n LEU 864 Cb 0.56 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.19 3dpd n LEU 864 CO 0.17 -2.80 -0.10 0.18 -1.33 0.00 0.00 177.39 173.51 3dpd n LEU 865 N -3.19 2.21 -3.68 2.23 4.77 -1.26 -5.00 117.00 113.07 3dpd n LEU 865 Ca 0.09 -5.02 -0.42 0.00 -0.03 0.00 0.00 56.01 50.63 3dpd n LEU 865 Cb 0.53 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3dpd n LEU 865 CO 0.50 1.80 2.62 -2.65 -1.33 0.00 0.00 177.39 178.33 3dpd n PRO 866 N 2.11 3.23 -1.06 3.23 -0.02 -1.26 -4.90 135.00 136.33 3dpd n PRO 866 Ca 0.23 -2.79 -0.36 0.00 -2.02 0.00 0.00 63.50 58.56 3dpd n PRO 866 Cb 0.38 -3.11 0.06 0.00 -0.02 0.00 0.00 33.50 30.81 3dpd n PRO 866 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3dpd n TYR 867 N 5.03 -3.14 -2.28 6.00 0.18 -1.26 -4.86 117.16 116.83 3dpd n TYR 867 Ca 0.54 0.18 -0.41 0.00 1.88 0.00 0.00 57.90 60.09 3dpd n TYR 867 Cb 0.35 -1.65 -0.03 0.00 -0.38 0.00 0.00 39.34 37.63 3dpd n TYR 867 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 3dpd s GLY 868 N -1.31 2.78 -0.16 -7.48 0.00 -1.26 -4.88 107.32 95.02 3dpd s GLY 868 Ca 0.52 1.07 -0.04 0.00 0.00 0.00 0.00 44.72 46.26 3dpd s GLY 868 CO 0.72 1.85 0.23 0.00 0.00 0.00 0.00 173.10 175.90 3dpd s ILE 870 N 2.36 2.03 0.51 0.00 -1.09 -1.00 -4.69 121.20 119.32 3dpd s ILE 870 Ca 0.05 -0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 57.34 3dpd s ILE 870 Cb -0.14 -1.79 -0.07 0.00 -1.58 0.00 0.00 42.46 38.88 3dpd s ILE 870 CO -0.10 0.55 0.96 -0.55 -1.23 0.00 0.00 174.94 174.57 3dpd s SER 871 N 0.75 6.59 0.00 3.58 0.15 -1.26 -1.72 113.70 121.79 3dpd s SER 871 Ca -0.09 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.07 3dpd s SER 871 Cb -0.16 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3dpd s SER 871 CO -0.00 -0.58 0.00 0.35 1.20 0.00 0.00 173.24 174.20 3dpd n THR 872 N -1.62 0.00 -3.44 6.45 -2.24 -1.21 -4.52 114.28 107.70 3dpd n THR 872 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3dpd n THR 872 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3dpd n THR 872 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dpd n GLY 873 N 0.26 5.14 0.00 3.38 0.00 -1.16 -4.76 105.19 108.04 3dpd n GLY 873 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3dpd n GLY 873 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dpd n ASP 874 N -1.06 0.00 -0.93 1.61 8.00 -1.26 -3.88 116.55 119.03 3dpd n ASP 874 Ca 0.00 0.65 0.02 0.00 0.71 0.00 0.00 54.79 56.17 3dpd n ASP 874 Cb 0.00 -0.15 0.21 0.00 -0.02 0.00 0.00 41.12 41.17 3dpd n ASP 874 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dpd n LYS 875 N -1.09 2.12 -3.96 -1.24 5.02 -1.26 -4.70 118.16 113.04 3dpd n LYS 875 Ca 0.00 -3.02 -0.22 0.00 -2.02 0.00 0.00 58.31 53.05 3dpd n LYS 875 Cb 0.00 -1.78 -0.05 0.00 -0.02 0.00 0.00 35.03 33.18 3dpd n LYS 875 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3dpd s ILE 876 N -3.07 3.21 -4.40 -0.18 -0.00 -1.25 -1.50 121.20 114.00 3dpd s ILE 876 Ca 0.42 -1.55 0.00 0.00 -0.00 0.00 0.00 60.65 59.52 3dpd s ILE 876 Cb 0.37 -3.06 0.00 0.00 -0.00 0.00 0.00 42.46 39.77 3dpd s ILE 876 CO 0.03 -0.17 0.00 0.61 -0.00 0.00 0.00 174.94 175.41 3dpd n GLY 877 N -1.26 -2.28 3.38 6.27 0.00 -1.12 -3.01 105.19 107.16 3dpd n GLY 877 Ca -0.02 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 3dpd n GLY 877 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dpd s MET 878 N -1.92 1.42 0.03 1.61 0.23 -0.70 -2.51 119.30 117.46 3dpd s MET 878 Ca 0.00 -1.70 -0.10 0.00 -1.03 0.00 0.00 55.69 52.86 3dpd s MET 878 Cb 0.00 -0.99 0.01 0.00 -1.53 0.00 0.00 34.83 32.31 3dpd s MET 878 CO 0.00 0.04 0.21 0.42 -2.03 0.00 0.00 175.02 173.67 3dpd s ILE 879 N -3.11 0.09 0.58 3.16 1.01 0.10 -2.38 121.20 120.65 3dpd s ILE 879 Ca 0.27 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 3dpd s ILE 879 Cb 0.03 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 3dpd s ILE 879 CO 0.09 -0.43 0.92 -0.70 0.00 0.00 0.00 174.94 174.82 3dpd s GLU 880 N -2.17 3.23 -0.09 2.79 2.12 0.56 0.10 118.70 125.25 3dpd s GLU 880 Ca -0.08 0.26 0.05 0.00 0.36 0.00 0.00 54.97 55.56 3dpd s GLU 880 Cb -0.03 -2.23 -0.00 0.00 0.26 0.00 0.00 34.13 32.12 3dpd s GLU 880 CO -0.02 -0.57 -0.24 0.42 -0.54 0.00 0.00 175.26 174.32 3dpd s ILE 881 N -3.00 2.11 -0.07 -3.70 1.01 0.01 -4.70 121.20 112.86 3dpd s ILE 881 Ca 0.53 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 3dpd s ILE 881 Cb -0.11 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3dpd s ILE 881 CO 0.48 0.56 0.67 -0.69 0.00 0.00 0.00 174.94 175.96 3dpd s VAL 882 N 0.15 5.07 0.28 2.92 1.01 -1.26 -4.67 120.40 123.90 3dpd s VAL 882 Ca -0.13 1.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3dpd s VAL 882 Cb -0.16 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 3dpd s VAL 882 CO 0.07 0.26 1.13 -0.54 0.00 0.00 0.00 175.10 176.02 3dpd s LYS 883 N 0.79 4.59 -1.35 2.72 -0.14 -1.26 -3.64 119.74 121.45 3dpd s LYS 883 Ca 0.36 1.86 -0.07 0.00 -1.36 0.00 0.00 55.97 56.77 3dpd s LYS 883 Cb -0.17 -3.18 0.02 0.00 -1.68 0.00 0.00 37.83 32.82 3dpd s LYS 883 CO 0.17 0.14 1.03 -0.25 -0.76 0.00 0.00 175.35 175.68 3dpd n ASP 884 N 1.21 -4.29 -4.23 2.83 8.00 -1.26 -4.78 116.55 114.03 3dpd n ASP 884 Ca -0.01 -0.65 -0.31 0.00 0.71 0.00 0.00 54.79 54.54 3dpd n ASP 884 Cb 0.44 -4.66 -0.17 0.00 -0.02 0.00 0.00 41.12 36.71 3dpd n ASP 884 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dpd s ALA 885 N -3.38 2.04 0.30 2.24 0.00 -1.24 -0.33 121.76 121.40 3dpd s ALA 885 Ca 0.38 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.47 3dpd s ALA 885 Cb -0.18 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 3dpd s ALA 885 CO 0.76 0.36 -0.08 0.99 0.00 0.00 0.00 175.76 177.79 3dpd s THR 886 N 0.02 1.90 0.39 0.00 2.01 0.12 -4.93 115.64 115.15 3dpd s THR 886 Ca -0.08 -2.16 -0.24 0.00 0.31 0.00 0.00 61.69 59.52 3dpd s THR 886 Cb -0.15 -2.52 -0.09 0.00 0.01 0.00 0.00 72.50 69.75 3dpd s THR 886 CO 0.05 -0.27 1.04 -0.89 -0.69 0.00 0.00 174.62 173.86 3dpd s THR 887 N -2.84 3.79 0.16 -0.82 2.01 -1.26 -1.28 115.64 115.39 3dpd s THR 887 Ca 0.31 1.36 -0.10 0.00 0.31 0.00 0.00 61.69 63.57 3dpd s THR 887 Cb 0.03 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.85 3dpd s THR 887 CO 0.14 0.00 1.55 0.40 -0.69 0.00 0.00 174.62 176.02 3dpd h ILE 888 N 2.21 1.27 -0.36 1.82 1.08 -1.40 -2.24 117.51 119.90 3dpd h ILE 888 Ca -0.48 -1.36 -0.01 0.00 -0.39 0.00 0.00 64.86 62.62 3dpd h ILE 888 Cb 1.21 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 3dpd h ILE 888 CO 0.62 0.47 0.20 0.00 -0.69 0.00 0.00 178.15 178.76 3dpd h ALA 889 N 0.88 0.45 -0.41 1.87 0.00 -1.77 -2.40 119.26 117.88 3dpd h ALA 889 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dpd h ALA 889 Cb 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dpd h ALA 889 CO 0.06 -0.03 0.24 0.87 0.00 0.00 0.00 179.25 180.39 3dpd h LYS 890 N 0.45 0.55 0.00 0.00 1.57 -1.87 0.66 116.57 117.94 3dpd h LYS 890 Ca 0.13 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3dpd h LYS 890 Cb 0.04 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3dpd h LYS 890 CO -0.02 0.40 -0.14 0.82 -0.57 0.00 0.00 179.45 179.94 3dpd h ILE 891 N 0.57 0.49 0.11 1.86 2.04 -0.91 -2.16 117.51 119.50 3dpd h ILE 891 Ca 0.15 -0.71 -0.30 0.00 1.00 0.00 0.00 64.86 65.00 3dpd h ILE 891 Cb -0.00 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3dpd h ILE 891 CO -0.03 0.14 -1.59 1.56 0.00 0.00 0.00 178.15 178.24 3dpd h GLN 892 N 0.00 0.23 0.00 2.37 1.08 -0.62 -3.34 115.11 114.83 3dpd h GLN 892 Ca -0.00 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 3dpd h GLN 892 Cb 0.47 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3dpd h GLN 892 CO 0.02 1.19 0.13 1.96 -0.95 0.00 0.00 178.83 181.17 3dpd h GLN 893 N -0.26 0.00 0.00 1.46 4.20 0.69 -0.77 115.11 120.43 3dpd h GLN 893 Ca -0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3dpd h GLN 893 Cb 1.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.59 3dpd h GLN 893 CO 0.04 0.00 0.00 0.45 -0.67 0.00 0.00 178.83 178.65 3dpd n SER 894 N -2.76 0.00 -0.30 1.46 2.88 -0.86 -2.35 113.62 111.70 3dpd n SER 894 Ca -0.02 0.34 0.06 0.00 -1.33 0.00 0.00 58.87 57.92 3dpd n SER 894 Cb 0.18 -0.25 0.21 0.00 -0.75 0.00 0.00 64.21 63.60 3dpd n SER 894 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3dpd h THR 895 N 0.00 0.79 0.00 2.46 2.02 -1.68 -3.37 112.91 113.12 3dpd h THR 895 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3dpd h THR 895 Cb 0.00 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3dpd h THR 895 CO 0.00 0.12 0.00 0.52 0.37 0.00 0.00 175.52 176.53 3dpd n VAL 896 N -4.82 0.00 0.00 3.16 0.31 -0.30 -5.11 118.33 111.56 3dpd n VAL 896 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 3dpd n VAL 896 Cb 0.39 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 3dpd n VAL 896 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dpd n GLY 897 N 3.52 -0.23 2.18 2.92 0.00 -0.99 -4.93 105.19 107.65 3dpd n GLY 897 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 3dpd n GLY 897 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dpd n ASN 898 N 0.00 6.71 -1.30 1.61 3.02 -1.26 -4.45 115.26 119.59 3dpd n ASN 898 Ca 0.00 -3.25 -0.01 0.00 -0.03 0.00 0.00 54.58 51.29 3dpd n ASN 898 Cb 0.00 -1.10 -0.00 0.00 -0.61 0.00 0.00 39.78 38.07 3dpd n ASN 898 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3dpd n THR 899 N 0.27 0.00 -0.61 3.41 -2.24 -1.26 -5.07 114.28 108.78 3dpd n THR 899 Ca 0.42 -0.10 0.07 0.00 -2.27 0.00 0.00 64.05 62.16 3dpd n THR 899 Cb 0.57 0.05 0.16 0.00 -2.10 0.00 0.00 70.33 69.00 3dpd n THR 899 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dpd n GLY 900 N 0.95 3.71 1.83 3.38 0.00 -1.26 -4.79 105.19 109.02 3dpd n GLY 900 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.29 3dpd n GLY 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpd n ALA 901 N -0.46 3.87 -1.65 4.61 0.00 -1.26 -4.92 120.51 120.70 3dpd n ALA 901 Ca 0.14 -0.50 -0.58 0.00 0.00 0.00 0.00 53.44 52.49 3dpd n ALA 901 Cb 0.59 -1.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 3dpd n ALA 901 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dpd n PHE 902 N 2.02 1.62 -4.25 0.00 0.99 -1.26 -4.95 117.46 111.64 3dpd n PHE 902 Ca 0.12 0.77 -0.35 0.00 -0.00 0.00 0.00 57.45 57.99 3dpd n PHE 902 Cb 0.47 -2.32 -0.10 0.00 -1.00 0.00 0.00 39.48 36.54 3dpd n PHE 902 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3dpd s LYS 903 N 2.04 3.35 0.22 -1.08 -0.14 -1.26 -5.02 119.74 117.85 3dpd s LYS 903 Ca 0.95 -0.38 -0.09 0.00 -1.36 0.00 0.00 55.97 55.09 3dpd s LYS 903 Cb -1.16 -2.94 0.18 0.00 -1.68 0.00 0.00 37.83 32.23 3dpd s LYS 903 CO 0.63 0.55 1.88 -0.44 -0.76 0.00 0.00 175.35 177.20 3dpd h ASP 904 N 5.70 0.97 0.76 2.83 3.45 -1.92 -2.83 116.42 125.38 3dpd h ASP 904 Ca -0.45 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 56.96 3dpd h ASP 904 Cb 1.19 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 3dpd h ASP 904 CO 0.60 0.73 0.00 -0.33 -1.57 0.00 0.00 179.24 178.66 3dpd h GLU 905 N 1.12 0.00 -0.05 3.56 3.07 -1.90 -3.36 114.58 117.02 3dpd h GLU 905 Ca 0.30 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.16 3dpd h GLU 905 Cb -0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3dpd h GLU 905 CO -0.06 0.00 -0.05 0.28 -1.40 0.00 0.00 179.01 177.78 3dpd h VAL 906 N 0.00 0.00 -0.13 3.13 2.07 -1.87 -2.08 116.25 117.36 3dpd h VAL 906 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3dpd h VAL 906 Cb 0.38 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 3dpd h VAL 906 CO 0.00 0.00 -0.30 0.25 0.02 0.00 0.00 177.57 177.54 3dpd h LEU 907 N -0.03 -0.94 -1.63 2.57 6.46 -1.80 -1.35 115.31 118.59 3dpd h LEU 907 Ca 0.01 0.14 0.20 0.00 -0.12 0.00 0.00 57.88 58.11 3dpd h LEU 907 Cb 0.05 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 3dpd h LEU 907 CO -0.06 -0.34 0.58 -1.13 -0.62 0.00 0.00 178.44 176.86 3dpd h ASN 908 N -0.37 0.31 -0.31 1.25 -0.73 -1.76 -0.10 115.58 113.86 3dpd h ASN 908 Ca 0.10 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.22 3dpd h ASN 908 Cb 0.53 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 3dpd h ASN 908 CO -0.35 0.13 -0.10 0.45 -0.37 0.00 0.00 177.43 177.20 3dpd h HIS 909 N 0.32 0.71 -0.67 0.67 3.86 -0.53 -3.10 115.15 116.40 3dpd h HIS 909 Ca 0.44 -0.16 0.13 0.00 -1.16 0.00 0.00 60.37 59.62 3dpd h HIS 909 Cb 1.21 -0.17 -0.09 0.00 1.06 0.00 0.00 27.41 29.42 3dpd h HIS 909 CO -0.00 0.82 0.19 2.35 0.86 0.00 0.00 177.93 182.14 3dpd h TRP 910 N 0.39 0.31 0.54 2.45 7.01 -0.57 0.32 115.95 126.39 3dpd h TRP 910 Ca 0.08 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 3dpd h TRP 910 Cb 0.60 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.63 3dpd h TRP 910 CO 0.05 -0.01 -0.26 -0.07 -2.79 0.00 0.00 178.44 175.36 3dpd h LEU 911 N 0.32 -0.61 -1.28 0.65 3.38 -1.51 0.07 115.31 116.32 3dpd h LEU 911 Ca 0.36 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.53 3dpd h LEU 911 Cb 0.55 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3dpd h LEU 911 CO -0.42 -0.39 0.60 0.50 0.09 0.00 0.00 178.44 178.82 3dpd h LYS 912 N -0.83 0.60 -0.12 1.13 3.64 -1.46 0.58 116.57 120.11 3dpd h LYS 912 Ca -0.07 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.06 3dpd h LYS 912 Cb 0.55 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3dpd h LYS 912 CO 0.12 0.39 -0.76 1.05 -2.27 0.00 0.00 179.45 177.99 3dpd h GLU 913 N 0.61 0.62 -0.00 1.90 4.11 -0.91 -3.25 114.58 117.66 3dpd h GLU 913 Ca 0.50 -0.51 -0.21 0.00 0.07 0.00 0.00 59.36 59.20 3dpd h GLU 913 Cb 0.94 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3dpd h GLU 913 CO -0.25 1.13 -0.91 0.87 0.07 0.00 0.00 179.01 179.93 3dpd h LYS 914 N 0.43 0.34 -4.16 1.06 1.79 0.44 -3.40 116.57 113.06 3dpd h LYS 914 Ca -0.04 -0.36 -0.75 0.00 -2.18 0.00 0.00 60.65 57.31 3dpd h LYS 914 Cb 1.36 0.10 -0.23 0.00 -1.58 0.00 0.00 32.23 31.88 3dpd h LYS 914 CO 0.15 1.05 -0.15 -1.12 -1.08 0.00 0.00 179.45 178.29 3dpd s SER 915 N -7.02 6.22 0.00 0.86 0.01 0.19 -5.01 113.70 108.95 3dpd s SER 915 Ca -0.05 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.42 3dpd s SER 915 Cb 0.09 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.10 3dpd s SER 915 CO 0.85 -0.88 0.07 -2.65 0.41 0.00 0.00 173.24 171.04 3dpd n PRO 916 N 5.34 0.00 -1.58 12.44 -0.02 -1.26 -4.38 135.00 145.54 3dpd n PRO 916 Ca -0.12 0.05 -0.62 0.00 -2.02 0.00 0.00 63.50 60.79 3dpd n PRO 916 Cb 0.41 -0.57 -0.09 0.00 -0.02 0.00 0.00 33.50 33.23 3dpd n PRO 916 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3dpd n THR 917 N -0.12 0.00 -0.18 3.45 5.66 -1.26 -4.76 114.28 117.07 3dpd n THR 917 Ca 0.00 0.00 0.29 0.00 -3.05 0.00 0.00 64.05 61.29 3dpd n THR 917 Cb 0.00 -0.19 0.73 0.00 -1.55 0.00 0.00 70.33 69.32 3dpd n THR 917 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3dpd h GLU 918 N 3.71 0.00 0.06 1.09 4.39 -1.97 -0.19 114.58 121.67 3dpd h GLU 918 Ca -0.48 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 3dpd h GLU 918 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 3dpd h GLU 918 CO 0.77 0.00 -0.03 1.49 -1.16 0.00 0.00 179.01 180.08 3dpd h GLU 919 N 0.00 -0.08 -0.57 2.33 4.22 -1.93 -2.72 114.58 115.83 3dpd h GLU 919 Ca 0.43 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.91 3dpd h GLU 919 Cb 1.76 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 3dpd h GLU 919 CO -0.00 0.04 0.38 -0.22 -2.18 0.00 0.00 179.01 177.03 3dpd h LYS 920 N -0.18 0.61 -0.85 1.92 3.64 -1.36 -1.03 116.57 119.32 3dpd h LYS 920 Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3dpd h LYS 920 Cb 0.15 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3dpd h LYS 920 CO 0.01 0.41 0.49 0.35 -2.27 0.00 0.00 179.45 178.44 3dpd h PHE 921 N 0.63 1.15 -0.06 1.91 3.57 -1.25 0.29 116.94 123.18 3dpd h PHE 921 Ca 0.23 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3dpd h PHE 921 Cb 0.13 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3dpd h PHE 921 CO -0.00 0.78 0.03 1.96 -2.23 0.00 0.00 178.31 178.85 3dpd h GLN 922 N 1.18 0.09 -0.54 1.11 1.08 -0.92 -1.90 115.11 115.20 3dpd h GLN 922 Ca 0.30 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.45 3dpd h GLN 922 Cb -0.00 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 3dpd h GLN 922 CO -0.05 0.18 0.17 0.00 -0.95 0.00 0.00 178.83 178.17 3dpd h ALA 923 N 0.91 0.71 0.00 3.87 0.00 -0.98 -2.22 119.26 121.54 3dpd h ALA 923 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3dpd h ALA 923 Cb 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dpd h ALA 923 CO -0.00 0.37 -0.10 0.00 0.00 0.00 0.00 179.25 179.52 3dpd h ALA 924 N 1.03 1.59 -0.05 0.00 0.00 -0.37 -1.21 119.26 120.24 3dpd h ALA 924 Ca 0.17 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3dpd h ALA 924 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dpd h ALA 924 CO -0.01 0.12 -0.74 0.28 0.00 0.00 0.00 179.25 178.91 3dpd h VAL 925 N 0.00 1.41 0.06 0.00 2.07 -0.74 -2.95 116.25 116.10 3dpd h VAL 925 Ca -0.00 -2.22 -0.00 0.00 0.82 0.00 0.00 66.70 65.29 3dpd h VAL 925 Cb 0.20 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3dpd h VAL 925 CO 0.01 0.66 -0.03 -0.08 0.02 0.00 0.00 177.57 178.15 3dpd h GLU 926 N 0.20 -0.07 -0.69 1.57 4.81 -0.93 -3.05 114.58 116.42 3dpd h GLU 926 Ca -0.03 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.34 3dpd h GLU 926 Cb 1.31 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.57 3dpd h GLU 926 CO 0.12 0.41 -0.22 0.00 -0.73 0.00 0.00 179.01 178.58 3dpd h ARG 927 N -0.59 -0.04 -0.42 1.92 2.47 -1.36 -1.05 114.38 115.31 3dpd h ARG 927 Ca -0.01 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.79 3dpd h ARG 927 Cb 0.52 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.78 3dpd h ARG 927 CO 0.01 -0.03 -0.00 0.35 0.56 0.00 0.00 179.97 180.86 3dpd h PHE 928 N -0.04 -0.03 -0.96 3.04 3.57 -1.30 0.70 116.94 121.92 3dpd h PHE 928 Ca 0.32 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.87 3dpd h PHE 928 Cb 0.53 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 3dpd h PHE 928 CO -0.59 -0.09 0.63 0.28 -2.23 0.00 0.00 178.31 176.31 3dpd h VAL 929 N 0.11 1.19 -0.00 1.41 2.07 -1.11 0.64 116.25 120.55 3dpd h VAL 929 Ca 0.21 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3dpd h VAL 929 Cb 0.30 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3dpd h VAL 929 CO -0.35 0.23 -0.01 1.88 0.02 0.00 0.00 177.57 179.34 3dpd h TYR 930 N 1.24 0.01 -0.77 1.57 -1.99 -0.46 -1.86 116.97 114.72 3dpd h TYR 930 Ca 0.37 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.08 3dpd h TYR 930 Cb -0.05 -0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 3dpd h TYR 930 CO -0.01 0.70 0.41 0.66 -0.00 0.00 0.00 178.16 179.93 3dpd h SER 931 N -0.68 0.97 -0.48 3.88 4.64 0.55 0.18 113.55 122.61 3dpd h SER 931 Ca -0.00 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 3dpd h SER 931 Cb 0.70 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3dpd h SER 931 CO 0.00 0.80 -0.01 0.00 -0.87 0.00 0.00 176.83 176.75 3dpd h ALA 933 N 1.15 -0.09 -0.27 0.00 0.00 -0.81 0.08 119.26 119.32 3dpd h ALA 933 Ca 0.15 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3dpd h ALA 933 Cb 0.51 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3dpd h ALA 933 CO 0.03 -0.40 -0.32 0.78 0.00 0.00 0.00 179.25 179.33 3dpd h GLY 934 N -0.40 -0.35 2.00 0.00 0.00 -0.41 -1.33 103.07 102.58 3dpd h GLY 934 Ca -0.01 0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.65 3dpd h GLY 934 CO 0.02 -0.21 -0.36 -0.97 0.00 0.00 0.00 176.54 175.02 3dpd h TYR 935 N -0.32 0.00 -0.22 5.60 -1.99 -1.23 -2.38 116.97 116.42 3dpd h TYR 935 Ca 0.13 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 3dpd h TYR 935 Cb 0.54 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 3dpd h TYR 935 CO -0.47 0.36 0.03 0.00 -0.00 0.00 0.00 178.16 178.08 3dpd h VAL 937 N 0.17 0.00 -0.61 0.00 2.07 -1.21 -2.73 116.25 113.94 3dpd h VAL 937 Ca 0.07 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.48 3dpd h VAL 937 Cb 0.33 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.01 3dpd h VAL 937 CO 0.01 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.64 3dpd h ALA 938 N -1.41 0.65 -0.53 1.67 0.00 -1.51 -0.69 119.26 117.44 3dpd h ALA 938 Ca -0.08 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3dpd h ALA 938 Cb 0.60 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3dpd h ALA 938 CO 0.13 -0.37 0.04 0.00 0.00 0.00 0.00 179.25 179.06 3dpd h THR 939 N 0.17 1.24 0.51 0.00 1.03 -1.43 -1.78 112.91 112.66 3dpd h THR 939 Ca 0.32 -0.98 -0.03 0.00 -0.01 0.00 0.00 66.41 65.71 3dpd h THR 939 Cb 0.51 0.79 0.01 0.00 -1.07 0.00 0.00 68.15 68.39 3dpd h THR 939 CO -0.48 0.35 -0.25 0.15 -0.01 0.00 0.00 175.52 175.29 3dpd h PHE 940 N 0.81 -0.64 -0.97 0.00 3.57 -0.83 -0.19 116.94 118.70 3dpd h PHE 940 Ca 0.16 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.78 3dpd h PHE 940 Cb 0.42 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 3dpd h PHE 940 CO 0.02 -0.39 0.61 0.28 -2.23 0.00 0.00 178.31 176.61 3dpd h VAL 941 N -0.71 0.87 0.00 1.41 2.07 -1.25 0.25 116.25 118.89 3dpd h VAL 941 Ca -0.07 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3dpd h VAL 941 Cb 0.54 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3dpd h VAL 941 CO 0.12 0.16 0.00 0.18 0.02 0.00 0.00 177.57 178.04 3dpd n LEU 942 N -4.61 0.66 -1.16 2.57 4.77 -0.68 -4.69 117.00 113.86 3dpd n LEU 942 Ca 0.19 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.69 3dpd n LEU 942 Cb 0.42 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3dpd n LEU 942 CO 0.27 -0.16 0.05 0.61 -1.33 0.00 0.00 177.39 176.83 3dpd n GLY 943 N 1.29 0.63 2.32 -0.72 0.00 0.07 -4.94 105.19 103.83 3dpd n GLY 943 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 3dpd n GLY 943 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dpd n ILE 944 N -2.92 0.54 0.00 -0.61 -5.35 -0.23 -4.88 119.36 105.91 3dpd n ILE 944 Ca -0.00 -1.70 -0.05 0.00 -0.27 0.00 0.00 62.75 60.72 3dpd n ILE 944 Cb 0.51 1.07 -0.12 0.00 -1.74 0.00 0.00 39.64 39.37 3dpd n ILE 944 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3dpd h GLY 945 N 1.57 0.00 -7.39 3.28 0.00 -1.59 -3.41 103.07 95.52 3dpd h GLY 945 Ca -0.29 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.32 3dpd h GLY 945 CO 0.01 0.00 1.95 1.34 0.00 0.00 0.00 176.54 179.84 3dpd n ASP 946 N -3.00 4.95 -4.24 0.19 2.03 -1.21 -3.32 116.55 111.96 3dpd n ASP 946 Ca -0.14 -2.96 -0.17 0.00 0.52 0.00 0.00 54.79 52.05 3dpd n ASP 946 Cb 0.97 -1.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.63 3dpd n ASP 946 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dpd s ARG 947 N 2.50 1.02 0.97 -0.67 1.70 -1.26 -4.97 118.95 118.24 3dpd s ARG 947 Ca 0.47 -1.28 -0.15 0.00 -0.47 0.00 0.00 55.73 54.29 3dpd s ARG 947 Cb 0.03 -0.81 -0.07 0.00 -0.57 0.00 0.00 34.95 33.53 3dpd s ARG 947 CO 0.02 0.14 -0.29 1.58 -1.08 0.00 0.00 175.30 175.67 3dpd n HIS 948 N 0.36 -3.61 0.39 5.89 -0.00 -1.26 -4.85 115.22 112.13 3dpd n HIS 948 Ca -0.14 0.08 0.13 0.00 -0.00 0.00 0.00 57.72 57.79 3dpd n HIS 948 Cb 0.58 -1.58 0.52 0.00 -0.00 0.00 0.00 29.99 29.50 3dpd n HIS 948 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 3dpd h ASN 949 N -1.21 0.00 1.13 0.26 -0.00 -1.96 -3.04 115.58 110.76 3dpd h ASN 949 Ca -0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 55.70 3dpd h ASN 949 Cb 1.29 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.59 3dpd h ASN 949 CO 0.28 0.00 -0.76 -0.78 -0.00 0.00 0.00 177.43 176.17 3dpd h ASP 950 N 0.00 0.00 -0.04 1.15 3.58 -1.97 -3.11 116.42 116.03 3dpd h ASP 950 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3dpd h ASP 950 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 3dpd h ASP 950 CO 0.00 0.76 0.00 0.59 -2.88 0.00 0.00 179.24 177.71 3dpd n ASN 951 N -3.35 0.63 -4.11 2.28 5.03 -1.15 -4.77 115.26 109.82 3dpd n ASN 951 Ca 0.01 -2.02 -0.23 0.00 0.87 0.00 0.00 54.58 53.20 3dpd n ASN 951 Cb 0.82 -0.21 -0.15 0.00 -1.02 0.00 0.00 39.78 39.22 3dpd n ASN 951 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3dpd s ILE 952 N -1.63 1.19 0.42 2.41 1.01 -1.23 -0.86 121.20 122.51 3dpd s ILE 952 Ca 0.03 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3dpd s ILE 952 Cb 0.02 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 3dpd s ILE 952 CO 0.02 0.34 0.04 0.23 0.00 0.00 0.00 174.94 175.57 3dpd n MET 953 N 2.84 0.82 -3.52 2.79 2.81 0.21 -1.35 117.12 121.71 3dpd n MET 953 Ca -0.15 -3.23 -0.15 0.00 -1.81 0.00 0.00 57.70 52.36 3dpd n MET 953 Cb 0.54 1.13 -0.05 0.00 -0.71 0.00 0.00 33.22 34.13 3dpd n MET 953 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3dpd s ILE 954 N -2.72 0.00 0.13 2.02 2.07 -0.41 -1.92 121.20 120.37 3dpd s ILE 954 Ca 0.06 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.35 3dpd s ILE 954 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3dpd s ILE 954 CO 0.04 0.00 0.01 0.42 -1.91 0.00 0.00 174.94 173.51 3dpd s THR 955 N -1.61 3.97 -1.79 4.00 -4.23 0.11 0.16 115.64 116.25 3dpd s THR 955 Ca -0.06 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 3dpd s THR 955 Cb -0.00 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.89 3dpd s THR 955 CO 0.04 0.02 0.03 -0.62 -0.54 0.00 0.00 174.62 173.55 3dpd n GLU 956 N 0.24 0.00 -0.03 3.99 1.02 0.55 0.80 120.64 127.21 3dpd n GLU 956 Ca -0.10 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.06 3dpd n GLU 956 Cb 0.53 -1.03 0.03 0.00 -0.02 0.00 0.00 31.44 30.96 3dpd n GLU 956 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3dpd n THR 957 N -0.48 1.11 0.00 2.62 -2.24 -1.26 -4.62 114.28 109.41 3dpd n THR 957 Ca 0.00 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 3dpd n THR 957 Cb 0.00 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3dpd n THR 957 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dpd n GLY 958 N -0.68 2.32 3.72 3.38 0.00 0.24 -4.32 105.19 109.86 3dpd n GLY 958 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3dpd n GLY 958 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dpd s ASN 959 N -2.02 6.87 0.13 1.61 3.84 -1.25 -2.52 114.94 121.59 3dpd s ASN 959 Ca 0.00 2.35 0.10 0.00 0.21 0.00 0.00 52.86 55.51 3dpd s ASN 959 Cb 0.00 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 38.06 3dpd s ASN 959 CO 0.00 -0.59 -0.20 -0.22 -2.79 0.00 0.00 177.10 173.30 3dpd s LEU 960 N 0.57 2.60 0.07 3.21 2.96 -1.26 0.05 118.68 126.88 3dpd s LEU 960 Ca 0.61 -0.63 -0.26 0.00 -0.22 0.00 0.00 54.13 53.63 3dpd s LEU 960 Cb -0.36 -1.45 0.09 0.00 0.50 0.00 0.00 46.19 44.96 3dpd s LEU 960 CO 0.34 0.17 0.81 0.72 -1.32 0.00 0.00 176.35 177.07 3dpd s PHE 961 N -1.18 -0.36 0.51 5.38 -0.12 -0.81 -4.68 117.98 116.72 3dpd s PHE 961 Ca 0.17 0.18 0.07 0.00 -0.05 0.00 0.00 56.93 57.30 3dpd s PHE 961 Cb -0.10 0.56 0.05 0.00 -0.63 0.00 0.00 43.02 42.90 3dpd s PHE 961 CO 0.09 -0.69 0.70 -1.01 -0.05 0.00 0.00 175.22 174.27 3dpd s HIS 962 N -3.34 2.32 0.32 3.49 3.76 -1.26 0.66 115.29 121.23 3dpd s HIS 962 Ca 0.05 -0.42 -0.05 0.00 -0.15 0.00 0.00 55.06 54.49 3dpd s HIS 962 Cb -0.01 -2.44 0.02 0.00 1.11 0.00 0.00 32.58 31.25 3dpd s HIS 962 CO -0.08 -0.81 0.51 0.44 -0.85 0.00 0.00 174.74 173.95 3dpd n ILE 963 N -2.13 0.00 -3.03 0.60 -6.64 -0.04 -4.81 119.36 103.32 3dpd n ILE 963 Ca 0.11 -1.33 -0.23 0.00 -1.77 0.00 0.00 62.75 59.53 3dpd n ILE 963 Cb 0.60 0.93 0.02 0.00 -1.44 0.00 0.00 39.64 39.74 3dpd n ILE 963 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 3dpd n ASP 964 N -1.61 -3.56 -0.60 7.28 2.03 -1.26 -4.79 116.55 114.03 3dpd n ASP 964 Ca -0.02 -0.36 0.03 0.00 0.52 0.00 0.00 54.79 54.95 3dpd n ASP 964 Cb 0.51 -1.10 0.11 0.00 -0.72 0.00 0.00 41.12 39.93 3dpd n ASP 964 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3dpd n PHE 965 N -0.94 0.43 -3.22 -0.67 3.01 -1.26 -5.04 117.46 109.76 3dpd n PHE 965 Ca -0.13 -0.18 -0.38 0.00 1.01 0.00 0.00 57.45 57.77 3dpd n PHE 965 Cb 0.48 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 39.84 3dpd n PHE 965 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dpd n GLY 966 N 0.62 4.89 2.87 1.37 0.00 -1.26 -4.62 105.19 109.06 3dpd n GLY 966 Ca 0.08 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.41 3dpd n GLY 966 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dpd n ASN 979 N 1.38 -0.29 -2.12 1.61 3.02 -1.26 -4.92 115.26 112.68 3dpd n ASN 979 Ca 0.26 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.81 3dpd n ASN 979 Cb 0.36 -1.22 0.01 0.00 -0.61 0.00 0.00 39.78 38.32 3dpd n ASN 979 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3dpd n LYS 980 N -0.29 0.25 -3.95 3.52 2.85 -1.26 -5.17 118.16 114.12 3dpd n LYS 980 Ca 0.00 -0.61 -0.37 0.00 -1.05 0.00 0.00 58.31 56.28 3dpd n LYS 980 Cb 0.02 0.85 -0.07 0.00 -0.65 0.00 0.00 35.03 35.19 3dpd n LYS 980 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3dpd s GLU 981 N -2.02 3.38 0.31 -1.58 0.41 -1.26 -5.10 118.70 112.84 3dpd s GLU 981 Ca 0.11 -0.17 -0.01 0.00 -0.41 0.00 0.00 54.97 54.50 3dpd s GLU 981 Cb -0.01 -3.13 -0.01 0.00 -1.78 0.00 0.00 34.13 29.19 3dpd s GLU 981 CO 0.02 0.76 0.37 1.03 -0.49 0.00 0.00 175.26 176.95 3dpd s ARG 982 N -1.00 1.72 -0.15 1.61 0.52 -1.26 -5.06 118.95 115.33 3dpd s ARG 982 Ca 0.15 -1.75 -0.30 0.00 -0.52 0.00 0.00 55.73 53.31 3dpd s ARG 982 Cb -0.12 0.39 0.12 0.00 0.52 0.00 0.00 34.95 35.86 3dpd s ARG 982 CO 0.04 -0.68 0.96 0.54 0.02 0.00 0.00 175.30 176.18 3dpd s VAL 983 N -3.43 0.00 0.12 3.52 0.11 -1.26 -4.93 120.40 114.52 3dpd s VAL 983 Ca 0.34 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 3dpd s VAL 983 Cb 0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 3dpd s VAL 983 CO 0.20 0.00 1.69 1.55 -3.33 0.00 0.00 175.10 175.20 3dpd h PRO 984 N 2.75 -0.14 0.00 1.54 0.13 -1.93 -3.33 132.00 131.02 3dpd h PRO 984 Ca -0.20 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3dpd h PRO 984 Cb 1.16 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dpd h PRO 984 CO 0.31 -0.09 0.00 1.97 -0.23 0.00 0.00 178.00 179.95 3dpd n PHE 985 N -5.24 0.00 -4.09 1.56 1.16 -1.26 -3.29 117.46 106.30 3dpd n PHE 985 Ca -0.04 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.21 3dpd n PHE 985 Cb 0.17 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.88 3dpd n PHE 985 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3dpd s VAL 986 N -0.34 2.19 -0.32 1.97 1.01 -1.21 -4.57 120.40 119.13 3dpd s VAL 986 Ca 0.00 -1.10 0.17 0.00 0.00 0.00 0.00 61.98 61.05 3dpd s VAL 986 Cb 0.00 -2.03 0.46 0.00 0.00 0.00 0.00 36.38 34.81 3dpd s VAL 986 CO 0.00 0.37 1.09 -0.11 0.00 0.00 0.00 175.10 176.45 3dpd n LEU 987 N 4.58 0.74 -4.42 3.92 7.94 -1.26 -4.91 117.00 123.59 3dpd n LEU 987 Ca -0.19 -3.50 -0.35 0.00 -1.11 0.00 0.00 56.01 50.86 3dpd n LEU 987 Cb 0.48 0.35 0.08 0.00 0.53 0.00 0.00 43.42 44.87 3dpd n LEU 987 CO 0.25 1.52 -0.06 0.35 -1.11 0.00 0.00 177.39 178.33 3dpd n THR 988 N -0.35 1.07 -0.09 1.96 -2.24 -1.26 -4.60 114.28 108.76 3dpd n THR 988 Ca 0.05 -0.33 0.25 0.00 -2.27 0.00 0.00 64.05 61.74 3dpd n THR 988 Cb 0.82 -0.65 0.71 0.00 -2.10 0.00 0.00 70.33 69.11 3dpd n THR 988 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3dpd h PRO 989 N -0.80 0.00 -0.01 -0.78 0.11 -1.94 0.14 132.00 128.72 3dpd h PRO 989 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 3dpd h PRO 989 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 3dpd h PRO 989 CO 0.39 0.00 -0.63 0.38 -0.21 0.00 0.00 178.00 177.92 3dpd h ASP 990 N 0.00 0.04 0.39 -2.05 2.03 -1.86 -1.25 116.42 113.72 3dpd h ASP 990 Ca 0.34 -0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.60 3dpd h ASP 990 Cb 1.40 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.89 3dpd h ASP 990 CO -0.00 0.66 -0.19 -0.26 -1.03 0.00 0.00 179.24 178.42 3dpd h PHE 991 N 0.03 -0.48 -0.08 4.15 -1.00 -1.04 -3.10 116.94 115.42 3dpd h PHE 991 Ca -0.01 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.78 3dpd h PHE 991 Cb 1.13 0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.84 3dpd h PHE 991 CO 0.00 -0.21 0.19 -0.07 -1.61 0.00 0.00 178.31 176.61 3dpd h LEU 992 N -1.07 0.00 -0.78 1.54 3.38 -1.44 0.94 115.31 117.87 3dpd h LEU 992 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3dpd h LEU 992 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3dpd h LEU 992 CO 0.09 0.00 -0.13 0.15 0.09 0.00 0.00 178.44 178.64 3dpd h PHE 993 N 0.00 0.87 0.00 1.13 3.57 -1.15 -1.37 116.94 119.99 3dpd h PHE 993 Ca 0.04 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3dpd h PHE 993 Cb 0.42 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3dpd h PHE 993 CO 0.00 0.87 0.00 0.28 -2.23 0.00 0.00 178.31 177.23 3dpd n VAL 994 N -4.15 0.71 0.05 1.41 0.31 0.31 -2.80 118.33 114.17 3dpd n VAL 994 Ca 0.01 -0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.33 3dpd n VAL 994 Cb 0.38 -0.87 -0.06 0.00 -0.91 0.00 0.00 33.84 32.38 3dpd n VAL 994 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3dpd h MET 995 N 0.00 0.00 0.00 5.55 2.86 -1.17 -3.49 114.93 118.67 3dpd h MET 995 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dpd h MET 995 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3dpd h MET 995 CO 0.00 0.23 0.00 0.41 1.06 0.00 0.00 176.91 178.61 3dpd n GLY 996 N 1.34 0.69 2.69 8.32 0.00 -0.61 -3.18 105.19 114.45 3dpd n GLY 996 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3dpd n GLY 996 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dpd n THR 997 N 0.00 0.02 -0.27 2.61 -1.04 -0.96 -4.06 114.28 110.58 3dpd n THR 997 Ca 0.00 -1.69 0.07 0.00 -2.04 0.00 0.00 64.05 60.40 3dpd n THR 997 Cb 0.00 1.22 0.20 0.00 -1.82 0.00 0.00 70.33 69.93 3dpd n THR 997 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3dpd h SER 998 N 2.65 -0.12 0.00 8.00 0.87 -1.87 -3.39 113.55 119.69 3dpd h SER 998 Ca -0.15 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3dpd h SER 998 Cb 1.17 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 3dpd h SER 998 CO 0.09 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 3dpd n GLY 999 N -1.38 1.54 1.75 5.77 0.00 -1.26 -4.95 105.19 106.65 3dpd n GLY 999 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3dpd n GLY 999 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dpd n LYS 1000N 0.00 0.34 0.00 1.61 4.76 -1.26 -5.08 118.16 118.53 3dpd n LYS 1000Ca 0.00 -2.29 0.00 0.00 -2.87 0.00 0.00 58.31 53.15 3dpd n LYS 1000Cb 0.00 -0.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 3dpd n LYS 1000CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3dpd n LYS 1001N 0.28 3.39 -2.18 1.97 2.85 -1.26 -5.15 118.16 118.06 3dpd n LYS 1001Ca 0.06 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.29 3dpd n LYS 1001Cb 1.08 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 35.45 3dpd n LYS 1001CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3dpd n THR 1002N 0.00 0.00 -3.58 0.58 5.66 -1.26 -4.93 114.28 110.74 3dpd n THR 1002Ca 0.00 -0.41 0.02 0.00 -3.05 0.00 0.00 64.05 60.61 3dpd n THR 1002Cb 0.00 0.23 -0.00 0.00 -1.55 0.00 0.00 70.33 69.01 3dpd n THR 1002CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dpd s SER 1003N -1.46 -0.02 0.00 1.09 1.04 -1.26 -4.59 113.70 108.50 3dpd s SER 1003Ca 0.07 -0.04 0.13 0.00 0.48 0.00 0.00 55.95 56.59 3dpd s SER 1003Cb -0.00 0.06 0.78 0.00 0.10 0.00 0.00 66.02 66.96 3dpd s SER 1003CO 0.05 -0.10 1.21 -0.81 0.98 0.00 0.00 173.24 174.57 3dpd n PRO 1004N -0.42 0.42 -0.04 4.02 -0.04 -1.26 -2.35 135.00 135.32 3dpd n PRO 1004Ca -0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.32 3dpd n PRO 1004Cb 0.63 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 3dpd n PRO 1004CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3dpd n HIS 1005N -0.99 0.00 0.21 0.54 8.25 -1.25 -4.15 115.22 117.83 3dpd n HIS 1005Ca 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.60 3dpd n HIS 1005Cb 0.05 -0.31 0.45 0.00 1.12 0.00 0.00 29.99 31.29 3dpd n HIS 1005CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3dpd h PHE 1006N -0.07 0.00 0.00 4.41 3.57 -1.49 0.72 116.94 124.08 3dpd h PHE 1006Ca -0.19 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.12 3dpd h PHE 1006Cb 1.26 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 3dpd h PHE 1006CO 0.00 0.27 -0.88 1.96 -2.23 0.00 0.00 178.31 177.43 3dpd h GLN 1007N 0.00 0.00 -0.24 1.11 4.20 -1.73 -0.77 115.11 117.68 3dpd h GLN 1007Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3dpd h GLN 1007Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3dpd h GLN 1007CO 0.04 0.88 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.77 3dpd h LYS 1008N 0.00 0.49 0.63 1.46 1.63 -1.29 -0.78 116.57 118.71 3dpd h LYS 1008Ca -0.01 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.57 3dpd h LYS 1008Cb 1.60 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.20 3dpd h LYS 1008CO 0.11 0.73 -0.45 0.35 -3.45 0.00 0.00 179.45 176.75 3dpd h PHE 1009N 0.22 -1.21 -0.82 1.91 3.57 0.50 -0.15 116.94 120.96 3dpd h PHE 1009Ca 0.06 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.65 3dpd h PHE 1009Cb 0.57 0.45 -0.08 0.00 2.79 0.00 0.00 35.95 39.68 3dpd h PHE 1009CO 0.06 -0.64 0.46 1.96 -2.23 0.00 0.00 178.31 177.91 3dpd h GLN 1010N -1.03 0.73 -0.67 1.11 4.20 -1.17 -0.03 115.11 118.26 3dpd h GLN 1010Ca -0.08 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.51 3dpd h GLN 1010Cb 0.84 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 3dpd h GLN 1010CO 0.05 0.49 0.14 0.22 -0.67 0.00 0.00 178.83 179.05 3dpd h ASP 1011N 0.76 1.03 -0.21 1.46 3.58 -0.98 -2.74 116.42 119.32 3dpd h ASP 1011Ca 0.40 -0.23 -0.12 0.00 0.42 0.00 0.00 57.03 57.51 3dpd h ASP 1011Cb 0.40 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 3dpd h ASP 1011CO -0.26 1.00 -0.27 0.40 -2.88 0.00 0.00 179.24 177.23 3dpd h ILE 1012N 1.03 1.28 0.33 2.25 2.04 -0.08 -2.40 117.51 121.95 3dpd h ILE 1012Ca 0.21 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 3dpd h ILE 1012Cb 0.39 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3dpd h ILE 1012CO 0.01 0.45 -0.27 0.00 0.00 0.00 0.00 178.15 178.34 3dpd h VAL 1014N -0.58 0.99 0.00 0.00 2.07 -1.59 0.90 116.25 118.04 3dpd h VAL 1014Ca -0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3dpd h VAL 1014Cb 0.49 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3dpd h VAL 1014CO 0.00 0.18 0.00 0.50 0.02 0.00 0.00 177.57 178.28 3dpd h LYS 1015N 1.01 0.00 0.01 1.57 3.64 -1.23 0.86 116.57 122.42 3dpd h LYS 1015Ca 0.44 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.43 3dpd h LYS 1015Cb 0.32 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 3dpd h LYS 1015CO -0.22 0.00 -2.45 0.00 -2.27 0.00 0.00 179.45 174.50 3dpd n ALA 1016N -1.97 1.40 0.19 5.00 0.00 0.13 -3.88 120.51 121.38 3dpd n ALA 1016Ca -0.02 -1.08 -0.15 0.00 0.00 0.00 0.00 53.44 52.20 3dpd n ALA 1016Cb 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 3dpd n ALA 1016CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3dpd h TYR 1017N -0.05 -0.40 -0.00 0.00 3.20 0.11 -1.90 116.97 117.93 3dpd h TYR 1017Ca -0.58 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.28 3dpd h TYR 1017Cb 1.89 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 40.29 3dpd h TYR 1017CO 0.03 -0.22 0.00 -0.07 -1.64 0.00 0.00 178.16 176.27 3dpd h LEU 1018N -0.48 0.00 -0.25 2.82 3.38 -1.07 -1.01 115.31 118.69 3dpd h LEU 1018Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3dpd h LEU 1018Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3dpd h LEU 1018CO 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.49 3dpd h ALA 1019N 2.00 0.36 -0.11 1.53 0.00 -1.52 -2.40 119.26 119.11 3dpd h ALA 1019Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3dpd h ALA 1019Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dpd h ALA 1019CO -0.00 0.22 -0.40 -0.07 0.00 0.00 0.00 179.25 179.00 3dpd h LEU 1020N 0.26 0.25 -1.65 0.00 3.38 -0.52 -2.33 115.31 114.69 3dpd h LEU 1020Ca 0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3dpd h LEU 1020Cb 0.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3dpd h LEU 1020CO 0.04 0.63 -0.20 0.03 0.09 0.00 0.00 178.44 179.03 3dpd h ARG 1021N 0.20 0.00 0.00 1.13 3.08 -1.09 0.49 114.38 118.19 3dpd h ARG 1021Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3dpd h ARG 1021Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 3dpd h ARG 1021CO 0.06 0.20 -0.04 0.45 -1.07 0.00 0.00 179.97 179.57 3dpd h HIS 1022N 0.00 0.00 -0.56 3.04 3.86 -0.89 -0.79 115.15 119.81 3dpd h HIS 1022Ca -0.00 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.84 3dpd h HIS 1022Cb 0.43 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 28.66 3dpd h HIS 1022CO 0.00 0.04 -0.19 0.72 0.86 0.00 0.00 177.93 179.36 3dpd n HIS 1023N -3.82 1.88 -0.21 2.45 8.25 0.14 -4.82 115.22 119.09 3dpd n HIS 1023Ca -0.03 -2.02 -0.04 0.00 -0.26 0.00 0.00 57.72 55.38 3dpd n HIS 1023Cb 0.13 -0.58 0.02 0.00 1.12 0.00 0.00 29.99 30.68 3dpd n HIS 1023CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3dpd h THR 1024N 1.37 0.20 -0.26 1.59 2.02 -0.85 -1.96 112.91 115.02 3dpd h THR 1024Ca 0.32 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.51 3dpd h THR 1024Cb 1.47 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3dpd h THR 1024CO 0.67 0.00 0.13 0.78 0.37 0.00 0.00 175.52 177.47 3dpd h ASN 1025N -0.13 0.20 0.08 4.18 4.21 -1.87 -0.52 115.58 121.72 3dpd h ASN 1025Ca 0.25 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.79 3dpd h ASN 1025Cb 0.54 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.67 3dpd h ASN 1025CO -0.68 0.15 -0.35 0.25 -1.29 0.00 0.00 177.43 175.51 3dpd h LEU 1026N 0.28 -1.02 -1.07 1.61 6.46 -1.65 -0.90 115.31 119.01 3dpd h LEU 1026Ca 0.11 0.12 0.06 0.00 -0.12 0.00 0.00 57.88 58.05 3dpd h LEU 1026Cb 0.03 0.39 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 3dpd h LEU 1026CO -0.07 -0.42 0.62 -0.07 -0.62 0.00 0.00 178.44 177.88 3dpd h LEU 1027N -0.55 0.99 0.05 2.25 4.07 -1.22 -0.65 115.31 120.24 3dpd h LEU 1027Ca 0.04 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3dpd h LEU 1027Cb 0.60 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3dpd h LEU 1027CO -0.23 0.63 -0.02 0.40 -1.08 0.00 0.00 178.44 178.14 3dpd h ILE 1028N 1.12 1.07 0.02 1.22 2.04 -0.55 0.20 117.51 122.63 3dpd h ILE 1028Ca 0.41 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 3dpd h ILE 1028Cb 0.18 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3dpd h ILE 1028CO -0.16 0.09 -0.01 0.40 0.00 0.00 0.00 178.15 178.47 3dpd h ILE 1029N -0.22 1.01 0.27 -0.67 1.08 -0.84 0.24 117.51 118.38 3dpd h ILE 1029Ca -0.01 -0.09 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3dpd h ILE 1029Cb 0.20 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 3dpd h ILE 1029CO 0.01 0.02 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.04 3dpd h LEU 1030N -0.06 -1.09 -0.83 1.44 3.38 -1.10 0.39 115.31 117.44 3dpd h LEU 1030Ca -0.00 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.21 3dpd h LEU 1030Cb 0.06 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 3dpd h LEU 1030CO 0.00 -0.50 0.43 0.15 0.09 0.00 0.00 178.44 178.61 3dpd h PHE 1031N -0.72 0.75 -0.45 1.13 3.57 -0.86 0.52 116.94 120.89 3dpd h PHE 1031Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3dpd h PHE 1031Cb 0.68 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3dpd h PHE 1031CO -0.27 0.19 0.14 1.03 -2.23 0.00 0.00 178.31 177.18 3dpd h SER 1032N 0.63 0.65 -0.26 0.41 0.87 0.16 -1.94 113.55 114.07 3dpd h SER 1032Ca 0.44 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 3dpd h SER 1032Cb 0.60 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3dpd h SER 1032CO -0.35 0.69 -0.10 0.24 -0.53 0.00 0.00 176.83 176.78 3dpd h MET 1033N 0.58 0.53 -0.74 2.24 2.86 0.14 -3.00 114.93 117.54 3dpd h MET 1033Ca 0.14 -0.22 0.13 0.00 -2.06 0.00 0.00 59.70 57.70 3dpd h MET 1033Cb 0.27 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.82 3dpd h MET 1033CO -0.00 0.76 0.31 1.98 1.06 0.00 0.00 176.91 181.02 3dpd h MET 1034N 0.27 0.46 0.03 1.72 -1.53 0.06 0.91 114.93 116.86 3dpd h MET 1034Ca 0.06 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.29 3dpd h MET 1034Cb 0.59 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.53 3dpd h MET 1034CO 0.03 0.31 -0.02 -0.07 0.14 0.00 0.00 176.91 177.30 3dpd h LEU 1035N 0.48 -0.04 -0.26 3.39 3.38 -1.27 0.64 115.31 121.63 3dpd h LEU 1035Ca 0.40 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dpd h LEU 1035Cb 0.57 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3dpd h LEU 1035CO -0.37 0.16 -0.06 1.15 0.09 0.00 0.00 178.44 179.41 3dpd n MET 1036N -5.02 0.85 -0.02 1.13 0.00 -1.08 -1.64 117.12 111.35 3dpd n MET 1036Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.36 3dpd n MET 1036Cb 0.13 -1.49 -0.06 0.00 0.00 0.00 0.00 33.22 31.80 3dpd n MET 1036CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 3dpd n THR 1037N -0.85 0.25 -0.03 3.17 5.66 0.29 -0.70 114.28 122.07 3dpd n THR 1037Ca 0.17 -0.23 -0.05 0.00 -3.05 0.00 0.00 64.05 60.89 3dpd n THR 1037Cb 0.25 -0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 68.74 3dpd n THR 1037CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dpd n GLY 1038N 2.34 -0.08 3.56 1.09 0.00 0.22 -4.96 105.19 107.35 3dpd n GLY 1038Ca -0.06 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 3dpd n GLY 1038CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dpd s MET 1039N -2.11 3.49 0.09 1.61 1.00 -0.65 -4.78 119.30 117.95 3dpd s MET 1039Ca -0.08 0.11 -0.23 0.00 0.00 0.00 0.00 55.69 55.49 3dpd s MET 1039Cb 0.02 -3.99 -0.08 0.00 0.00 0.00 0.00 34.83 30.79 3dpd s MET 1039CO 0.13 -1.45 1.39 -1.35 0.00 0.00 0.00 175.02 173.73 3dpd h PRO 1040N 9.30 -0.27 -4.79 2.03 0.11 -1.93 -3.42 132.00 133.02 3dpd h PRO 1040Ca -0.25 0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.32 3dpd h PRO 1040Cb 1.07 0.06 0.08 0.00 0.11 0.00 0.00 31.00 32.32 3dpd h PRO 1040CO 1.10 -0.18 -0.31 0.00 -0.21 0.00 0.00 178.00 178.40 3dpd n GLN 1041N -4.58 0.00 -1.52 1.05 0.00 -1.26 -4.50 117.38 106.56 3dpd n GLN 1041Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.84 3dpd n GLN 1041Cb 0.24 -0.89 -0.10 0.00 0.00 0.00 0.00 30.24 29.49 3dpd n GLN 1041CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3dpd n LEU 1042N 1.50 1.05 -4.60 2.61 4.77 -1.26 -4.83 117.00 116.23 3dpd n LEU 1042Ca 0.15 -1.82 -0.52 0.00 -0.03 0.00 0.00 56.01 53.79 3dpd n LEU 1042Cb 0.17 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.68 3dpd n LEU 1042CO 0.46 -2.91 0.95 0.35 -1.33 0.00 0.00 177.39 174.91 3dpd n THR 1043N 8.34 0.02 -3.62 -5.08 -2.24 -1.26 -4.92 114.28 105.53 3dpd n THR 1043Ca 0.43 -0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 62.00 3dpd n THR 1043Cb 0.43 -0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 3dpd n THR 1043CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3dpd s SER 1044N 0.71 5.73 0.36 3.42 1.04 -1.26 -4.53 113.70 119.17 3dpd s SER 1044Ca 0.85 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 57.03 3dpd s SER 1044Cb -0.94 -1.16 0.70 0.00 0.10 0.00 0.00 66.02 64.72 3dpd s SER 1044CO 0.47 -0.39 1.97 0.11 0.98 0.00 0.00 173.24 176.39 3dpd h LYS 1045N 1.04 0.77 -0.57 4.02 6.56 -1.96 -1.22 116.57 125.21 3dpd h LYS 1045Ca -0.46 -0.05 -0.05 0.00 -1.06 0.00 0.00 60.65 59.04 3dpd h LYS 1045Cb 1.25 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.71 3dpd h LYS 1045CO 0.55 0.51 0.15 0.93 -2.06 0.00 0.00 179.45 179.53 3dpd h GLU 1046N 0.80 0.88 -0.14 3.15 3.07 -1.99 -1.69 114.58 118.65 3dpd h GLU 1046Ca 0.29 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 3dpd h GLU 1046Cb 0.16 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3dpd h GLU 1046CO -0.09 0.78 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.64 3dpd h ASP 1047N 0.85 0.44 -0.62 1.42 3.32 -1.62 -3.27 116.42 116.94 3dpd h ASP 1047Ca 0.19 -0.53 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 3dpd h ASP 1047Cb 0.29 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3dpd h ASP 1047CO -0.00 0.88 0.14 0.40 -1.72 0.00 0.00 179.24 178.94 3dpd h ILE 1048N 0.00 1.25 0.00 0.35 2.04 -1.37 -2.75 117.51 117.04 3dpd h ILE 1048Ca 0.01 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3dpd h ILE 1048Cb 0.79 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3dpd h ILE 1048CO 0.05 0.35 0.00 -0.62 0.00 0.00 0.00 178.15 177.93 3dpd n GLU 1049N -4.32 0.09 -0.31 2.37 1.02 -0.64 -2.55 120.64 116.29 3dpd n GLU 1049Ca 0.03 0.50 0.14 0.00 -0.02 0.00 0.00 57.16 57.82 3dpd n GLU 1049Cb 0.25 -1.73 0.38 0.00 -0.02 0.00 0.00 31.44 30.32 3dpd n GLU 1049CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3dpd h TYR 1050N 0.00 0.88 0.00 -0.32 3.20 -1.53 0.15 116.97 119.34 3dpd h TYR 1050Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3dpd h TYR 1050Cb 0.10 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 3dpd h TYR 1050CO 0.00 0.23 -0.01 0.97 -1.64 0.00 0.00 178.16 177.72 3dpd h ILE 1051N 0.66 0.91 0.64 1.81 6.09 -1.73 -1.37 117.51 124.53 3dpd h ILE 1051Ca 0.52 -0.03 -0.03 0.00 -1.37 0.00 0.00 64.86 63.95 3dpd h ILE 1051Cb 0.94 1.02 0.01 0.00 0.47 0.00 0.00 36.82 39.25 3dpd h ILE 1051CO -0.28 0.01 -0.31 -0.09 -3.07 0.00 0.00 178.15 174.41 3dpd h ARG 1052N 0.00 -0.83 -0.51 2.19 9.65 -0.91 -2.06 114.38 121.92 3dpd h ARG 1052Ca -0.00 0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 3dpd h ARG 1052Cb 0.02 0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 3dpd h ARG 1052CO 0.00 -0.51 0.28 -0.44 2.80 0.00 0.00 179.97 182.11 3dpd h ASP 1053N -1.10 0.44 -0.64 -3.80 3.32 -1.45 -0.51 116.42 112.68 3dpd h ASP 1053Ca -0.09 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.05 3dpd h ASP 1053Cb 0.70 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 3dpd h ASP 1053CO 0.14 0.31 0.31 0.00 -1.72 0.00 0.00 179.24 178.28 3dpd h ALA 1054N 1.25 0.85 -0.26 3.45 0.00 -1.29 0.05 119.26 123.32 3dpd h ALA 1054Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dpd h ALA 1054Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dpd h ALA 1054CO -0.12 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3dpd n LEU 1055N -4.88 1.70 -3.46 0.00 4.77 -0.77 -4.88 117.00 109.47 3dpd n LEU 1055Ca 0.09 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 54.97 3dpd n LEU 1055Cb 0.22 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3dpd n LEU 1055CO 0.26 0.40 -0.19 0.35 -1.33 0.00 0.00 177.39 176.87 3dpd n THR 1056N 0.38 -5.08 -2.75 -5.08 -2.24 0.00 -4.92 114.28 94.60 3dpd n THR 1056Ca 0.13 0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.73 3dpd n THR 1056Cb 0.30 -4.09 -0.06 0.00 -2.10 0.00 0.00 70.33 64.37 3dpd n THR 1056CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dpd s VAL 1057N -2.04 4.21 0.00 2.28 1.01 -1.05 -4.03 120.40 120.79 3dpd s VAL 1057Ca 0.26 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.74 3dpd s VAL 1057Cb -0.03 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3dpd s VAL 1057CO 0.86 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.39 3dpd n GLY 1058N -0.24 1.60 3.55 4.51 0.00 -1.26 -4.95 105.19 108.41 3dpd n GLY 1058Ca 0.06 -0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3dpd n GLY 1058CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dpd n LYS 1059N 0.00 1.09 -0.65 1.61 4.01 -1.26 -4.89 118.16 118.08 3dpd n LYS 1059Ca 0.00 0.38 -0.31 0.00 -0.51 0.00 0.00 58.31 57.87 3dpd n LYS 1059Cb 0.00 -1.70 0.18 0.00 -0.51 0.00 0.00 35.03 33.01 3dpd n LYS 1059CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3dpd n ASN 1060N 1.31 -1.32 -0.04 4.39 6.94 -1.26 -4.86 115.26 120.41 3dpd n ASN 1060Ca 0.11 0.13 -0.07 0.00 -0.02 0.00 0.00 54.58 54.74 3dpd n ASN 1060Cb 0.32 -1.26 0.12 0.00 -2.36 0.00 0.00 39.78 36.60 3dpd n ASN 1060CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3dpd h GLU 1061N -2.08 0.66 -0.34 -3.83 4.81 -1.97 -3.00 114.58 108.84 3dpd h GLU 1061Ca -0.50 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.44 3dpd h GLU 1061Cb 1.31 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 3dpd h GLU 1061CO 0.41 0.86 0.18 0.93 -0.73 0.00 0.00 179.01 180.66 3dpd h GLU 1062N 0.57 0.48 0.00 1.92 4.39 -2.02 -1.96 114.58 117.97 3dpd h GLU 1062Ca 0.07 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3dpd h GLU 1062Cb 0.75 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3dpd h GLU 1062CO 0.06 0.42 -0.08 0.22 -1.16 0.00 0.00 179.01 178.47 3dpd h ASP 1063N 0.42 0.00 0.53 1.42 1.82 -1.91 -3.15 116.42 115.55 3dpd h ASP 1063Ca 0.12 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 3dpd h ASP 1063Cb 0.09 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.10 3dpd h ASP 1063CO -0.02 0.08 -0.26 0.00 -1.61 0.00 0.00 179.24 177.43 3dpd h ALA 1064N 1.92 -0.80 -1.34 -0.78 0.00 -1.21 -0.23 119.26 116.82 3dpd h ALA 1064Ca -0.00 -0.16 0.43 0.00 0.00 0.00 0.00 54.91 55.18 3dpd h ALA 1064Cb 0.22 0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 3dpd h ALA 1064CO 0.01 -0.75 0.88 -0.22 0.00 0.00 0.00 179.25 179.17 3dpd h LYS 1065N -1.05 0.10 0.23 0.00 3.64 -1.46 0.43 116.57 118.45 3dpd h LYS 1065Ca -0.07 -0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 58.97 3dpd h LYS 1065Cb 0.55 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3dpd h LYS 1065CO 0.12 0.06 -1.48 0.87 -2.27 0.00 0.00 179.45 176.75 3dpd h LYS 1066N 0.10 0.48 -0.86 1.90 1.57 -1.54 -3.29 116.57 114.93 3dpd h LYS 1066Ca 0.80 -0.82 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3dpd h LYS 1066Cb 2.57 0.31 -0.06 0.00 0.08 0.00 0.00 32.23 35.12 3dpd h LYS 1066CO -0.37 1.39 0.56 -0.92 -0.57 0.00 0.00 179.45 179.54 3dpd h TYR 1067N 0.13 0.93 0.35 -1.35 5.03 0.17 -1.43 116.97 120.79 3dpd h TYR 1067Ca -0.25 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.07 3dpd h TYR 1067Cb 2.13 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 40.12 3dpd h TYR 1067CO 0.11 0.45 -0.17 0.35 -1.32 0.00 0.00 178.16 177.59 3dpd h PHE 1068N 0.88 -0.43 -1.03 -3.82 3.57 -1.54 -2.88 116.94 111.70 3dpd h PHE 1068Ca 0.39 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.14 3dpd h PHE 1068Cb 0.34 0.14 -0.11 0.00 2.79 0.00 0.00 35.95 39.12 3dpd h PHE 1068CO -0.00 -0.10 0.64 -0.07 -2.23 0.00 0.00 178.31 176.55 3dpd h LEU 1069N -0.94 0.55 -1.24 0.59 3.38 -1.58 0.90 115.31 116.97 3dpd h LEU 1069Ca -0.05 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3dpd h LEU 1069Cb 0.53 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3dpd h LEU 1069CO 0.08 0.09 0.53 0.44 0.09 0.00 0.00 178.44 179.66 3dpd h ASP 1070N 0.48 0.86 -0.44 -0.43 3.45 -1.20 0.10 116.42 119.24 3dpd h ASP 1070Ca 0.62 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.99 3dpd h ASP 1070Cb 1.40 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 3dpd h ASP 1070CO -0.38 0.59 -0.04 1.56 -1.57 0.00 0.00 179.24 179.40 3dpd h GLN 1071N 1.00 0.80 -0.25 3.56 1.08 0.10 -1.76 115.11 119.64 3dpd h GLN 1071Ca 0.31 -0.28 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 3dpd h GLN 1071Cb 0.02 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 3dpd h GLN 1071CO -0.09 0.89 -0.07 0.82 -0.95 0.00 0.00 178.83 179.43 3dpd h ILE 1072N 0.64 0.73 -0.67 2.54 2.04 0.08 -1.21 117.51 121.66 3dpd h ILE 1072Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.10 3dpd h ILE 1072Cb 0.55 0.73 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 3dpd h ILE 1072CO 0.03 0.00 0.23 -0.08 0.00 0.00 0.00 178.15 178.33 3dpd h GLU 1073N -0.01 0.36 -0.79 2.37 4.57 -0.74 0.21 114.58 120.55 3dpd h GLU 1073Ca 0.12 -0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.45 3dpd h GLU 1073Cb 0.20 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 3dpd h GLU 1073CO -0.26 0.24 0.53 0.28 -1.18 0.00 0.00 179.01 178.62 3dpd h VAL 1074N 0.37 0.73 -0.16 0.32 2.07 -0.33 0.63 116.25 119.89 3dpd h VAL 1074Ca 0.36 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.66 3dpd h VAL 1074Cb 0.52 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3dpd h VAL 1074CO -0.39 0.06 -0.31 0.00 0.02 0.00 0.00 177.57 176.95 3dpd h ARG 1076N 0.11 0.41 -0.26 0.00 2.47 -0.60 -1.43 114.38 115.07 3dpd h ARG 1076Ca 0.01 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3dpd h ARG 1076Cb 0.91 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 3dpd h ARG 1076CO 0.07 0.27 0.00 -0.25 0.56 0.00 0.00 179.97 180.62 3dpd n ASP 1077N -4.88 0.26 0.00 7.04 8.00 0.05 -2.16 116.55 124.87 3dpd n ASP 1077Ca -0.00 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3dpd n ASP 1077Cb 0.04 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3dpd n ASP 1077CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dpd n LYS 1078N -0.13 1.33 0.00 -1.24 5.02 -0.60 -5.04 118.16 117.50 3dpd n LYS 1078Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3dpd n LYS 1078Cb 0.07 -0.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 3dpd n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dpd n GLY 1079N 0.19 1.42 1.47 0.72 0.00 -0.82 0.13 105.19 108.31 3dpd n GLY 1079Ca 0.00 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.53 3dpd n GLY 1079CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dpd n TRP 1080N 1.19 1.52 0.00 1.61 7.02 -1.26 -4.56 117.44 122.96 3dpd n TRP 1080Ca 0.00 -0.73 0.00 0.00 -1.02 0.00 0.00 57.50 55.75 3dpd n TRP 1080Cb 0.00 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 28.53 3dpd n TRP 1080CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3dpd n THR 1081N 0.44 0.00 -0.30 -0.99 -1.04 0.36 0.10 114.28 112.84 3dpd n THR 1081Ca 0.25 1.50 0.10 0.00 -2.04 0.00 0.00 64.05 63.85 3dpd n THR 1081Cb 0.99 -2.45 0.27 0.00 -1.82 0.00 0.00 70.33 67.32 3dpd n THR 1081CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3dpd h VAL 1082N 0.00 0.61 -0.30 12.58 2.07 -1.84 -1.12 116.25 128.25 3dpd h VAL 1082Ca 0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3dpd h VAL 1082Cb 0.00 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3dpd h VAL 1082CO 0.00 0.10 0.06 1.56 0.02 0.00 0.00 177.57 179.30 3dpd h GLN 1083N 0.52 0.49 -0.38 1.57 1.08 -1.84 -2.28 115.11 114.28 3dpd h GLN 1083Ca 0.51 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 3dpd h GLN 1083Cb 0.86 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 3dpd h GLN 1083CO -0.44 0.59 0.25 0.35 -0.95 0.00 0.00 178.83 178.63 3dpd h PHE 1084N 0.32 0.47 -0.34 2.96 3.57 0.84 -1.75 116.94 123.01 3dpd h PHE 1084Ca 0.09 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 3dpd h PHE 1084Cb 0.33 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3dpd h PHE 1084CO 0.02 0.30 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.24 3dpd h ASN 1085N 0.51 0.80 -0.47 0.41 4.21 -1.09 -1.10 115.58 118.85 3dpd h ASN 1085Ca 0.14 -0.44 -0.01 0.00 1.21 0.00 0.00 56.30 57.21 3dpd h ASN 1085Cb -0.05 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.90 3dpd h ASN 1085CO -0.03 1.07 0.28 -0.50 -1.29 0.00 0.00 177.43 176.96 3dpd h TRP 1086N 0.54 0.64 -0.22 1.19 -0.00 -0.77 0.72 115.95 118.05 3dpd h TRP 1086Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.88 3dpd h TRP 1086Cb 0.80 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 29.75 3dpd h TRP 1086CO 0.06 0.44 -0.17 0.35 -0.00 0.00 0.00 178.44 179.13 3dpd h PHE 1087N 0.67 0.60 0.00 0.49 3.04 -1.07 0.29 116.94 120.96 3dpd h PHE 1087Ca 0.18 -0.16 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 3dpd h PHE 1087Cb -0.00 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 3dpd h PHE 1087CO 0.00 0.82 -0.31 -0.07 -2.02 0.00 0.00 178.31 176.73 3dpd h LEU 1088N 0.20 0.00 0.20 0.59 3.38 -0.40 0.16 115.31 119.44 3dpd h LEU 1088Ca 0.04 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 3dpd h LEU 1088Cb 0.69 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.46 3dpd h LEU 1088CO 0.04 0.31 -1.60 -0.74 0.09 0.00 0.00 178.44 176.54 3dpd h HIS 1089N 0.00 0.76 0.00 1.13 2.76 0.61 -2.96 115.15 117.45 3dpd h HIS 1089Ca -0.00 -0.55 -0.01 0.00 -2.20 0.00 0.00 60.37 57.60 3dpd h HIS 1089Cb 0.81 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 3dpd h HIS 1089CO 0.00 1.57 -1.03 1.28 -1.30 0.00 0.00 177.93 178.46 3dpd n LEU 1090N -3.61 1.92 0.20 0.26 4.32 0.10 -2.44 117.00 117.76 3dpd n LEU 1090Ca -0.20 0.33 0.14 0.00 -0.02 0.00 0.00 56.01 56.26 3dpd n LEU 1090Cb 1.08 -0.73 0.70 0.00 -1.62 0.00 0.00 43.42 42.85 3dpd n LEU 1090CO 0.55 -0.25 0.92 0.58 -1.22 0.00 0.00 177.39 177.97 3dpd h VAL 1091N -0.98 0.00 0.00 4.08 2.07 -1.10 -2.73 116.25 117.59 3dpd h VAL 1091Ca -0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3dpd h VAL 1091Cb 1.00 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3dpd h VAL 1091CO -0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.76 3dpd n LEU 1092N -2.50 0.50 -3.15 2.57 4.77 -1.01 -5.00 117.00 113.17 3dpd n LEU 1092Ca -0.01 -0.67 -0.05 0.00 -0.03 0.00 0.00 56.01 55.26 3dpd n LEU 1092Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3dpd n LEU 1092CO 0.16 0.12 0.23 0.61 -1.33 0.00 0.00 177.39 177.18 3dpd n GLY 1093N 0.34 -1.24 0.00 -0.72 0.00 -1.03 -4.96 105.19 97.59 3dpd n GLY 1093Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3dpd n GLY 1093CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71