#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chw h GLU 145 N 0.00 0.24 -0.72 4.33 4.22 -2.07 -2.71 114.58 117.88 2chw h GLU 145 Ca 0.00 -0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.48 2chw h GLU 145 Cb 0.00 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.14 2chw h GLU 145 CO 0.00 0.16 0.42 0.93 -2.18 0.00 0.00 179.01 178.33 2chw h GLU 146 N 0.25 0.74 0.00 1.92 4.39 -2.05 -2.47 114.58 117.35 2chw h GLU 146 Ca 0.15 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2chw h GLU 146 Cb 0.12 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2chw h GLU 146 CO -0.15 0.49 0.00 0.66 -1.16 0.00 0.00 179.01 178.85 2chw h SER 147 N 0.76 0.00 -0.06 1.42 4.64 -1.91 -0.95 113.55 117.46 2chw h SER 147 Ca 0.32 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.52 2chw h SER 147 Cb 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2chw h SER 147 CO -0.18 0.00 -0.43 1.56 -0.87 0.00 0.00 176.83 176.91 2chw h GLN 148 N 0.00 0.40 -0.18 4.77 4.20 -1.26 -2.57 115.11 120.46 2chw h GLN 148 Ca 0.00 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.26 2chw h GLN 148 Cb 0.55 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2chw h GLN 148 CO 0.00 0.99 -0.33 0.00 -0.67 0.00 0.00 178.83 178.83 2chw h ALA 149 N 0.41 1.11 0.00 3.87 0.00 -1.41 -2.87 119.26 120.36 2chw h ALA 149 Ca -0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2chw h ALA 149 Cb 1.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2chw h ALA 149 CO 0.09 0.57 -0.24 0.35 0.00 0.00 0.00 179.25 180.01 2chw h PHE 150 N 0.32 0.00 -0.03 0.00 3.57 -1.22 -1.62 116.94 117.95 2chw h PHE 150 Ca 0.04 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 2chw h PHE 150 Cb 0.73 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2chw h PHE 150 CO 0.02 0.24 -0.73 0.37 -2.23 0.00 0.00 178.31 175.98 2chw h GLN 151 N 0.00 0.20 -0.70 1.11 5.75 -1.24 -2.15 115.11 118.08 2chw h GLN 151 Ca -0.00 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.29 2chw h GLN 151 Cb 0.56 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 2chw h GLN 151 CO 0.03 0.85 0.33 0.00 -2.65 0.00 0.00 178.83 177.39 2chw h ARG 152 N 0.13 1.01 0.00 1.69 3.08 -1.14 -0.55 114.38 118.60 2chw h ARG 152 Ca -0.02 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2chw h ARG 152 Cb 1.30 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2chw h ARG 152 CO 0.11 0.79 0.00 0.94 -1.07 0.00 0.00 179.97 180.74 2chw n GLN 153 N -4.33 0.00 -0.34 0.04 7.27 -0.93 -2.16 117.38 116.93 2chw n GLN 153 Ca 0.07 0.49 0.32 0.00 0.07 0.00 0.00 57.00 57.94 2chw n GLN 153 Cb 0.14 -1.49 0.57 0.00 2.41 0.00 0.00 30.24 31.87 2chw n GLN 153 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2chw n LEU 154 N -1.96 0.28 -0.09 1.69 4.77 -0.82 -0.78 117.00 120.09 2chw n LEU 154 Ca 0.00 1.44 -0.14 0.00 -0.03 0.00 0.00 56.01 57.28 2chw n LEU 154 Cb 0.00 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 2chw n LEU 154 CO 0.00 -1.60 0.52 0.74 -1.33 0.00 0.00 177.39 175.73 2chw h THR 155 N 0.00 1.30 0.00 -5.08 2.02 -0.85 -0.73 112.91 109.57 2chw h THR 155 Ca 0.79 -1.55 -0.16 0.00 0.77 0.00 0.00 66.41 66.25 2chw h THR 155 Cb 2.24 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 70.26 2chw h THR 155 CO -0.61 0.50 -0.78 0.00 0.37 0.00 0.00 175.52 175.00 2chw h ALA 156 N 0.68 0.66 -0.29 6.16 0.00 -0.44 0.17 119.26 126.20 2chw h ALA 156 Ca 0.03 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 2chw h ALA 156 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2chw h ALA 156 CO 0.09 0.97 0.02 -0.07 0.00 0.00 0.00 179.25 180.25 2chw h LEU 157 N 0.00 0.49 -0.15 0.00 3.38 -1.28 -3.31 115.31 114.44 2chw h LEU 157 Ca -0.01 -0.29 -0.23 0.00 0.09 0.00 0.00 57.88 57.44 2chw h LEU 157 Cb 1.42 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2chw h LEU 157 CO 0.10 0.66 -0.95 0.40 0.09 0.00 0.00 178.44 178.75 2chw h ILE 158 N 0.30 1.37 0.00 1.22 2.04 -0.92 -3.48 117.51 118.04 2chw h ILE 158 Ca 0.08 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.58 2chw h ILE 158 Cb 0.40 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2chw h ILE 158 CO 0.01 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.48 2chw n GLY 159 N 0.94 0.46 3.54 5.37 0.00 0.58 -4.81 105.19 111.27 2chw n GLY 159 Ca -0.08 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 2chw n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2chw s TYR 160 N -2.00 -0.67 -0.41 1.61 5.04 -1.21 -4.85 117.35 114.86 2chw s TYR 160 Ca 0.00 1.23 -0.13 0.00 -2.44 0.00 0.00 57.07 55.73 2chw s TYR 160 Cb 0.00 0.39 0.04 0.00 0.35 0.00 0.00 41.96 42.74 2chw s TYR 160 CO 0.00 -0.58 0.28 0.34 -1.34 0.00 0.00 175.55 174.25 2chw s ASP 161 N -0.98 5.95 0.00 4.32 3.68 -1.26 -4.70 116.67 123.68 2chw s ASP 161 Ca -0.09 -1.06 0.14 0.00 2.13 0.00 0.00 52.55 53.67 2chw s ASP 161 Cb -0.01 -2.10 0.41 0.00 -1.45 0.00 0.00 42.92 39.77 2chw s ASP 161 CO 0.09 -0.47 1.33 1.33 0.13 0.00 0.00 175.17 177.58 2chw n VAL 162 N 5.09 0.54 -0.04 1.11 0.24 -1.26 -3.23 118.33 120.79 2chw n VAL 162 Ca -0.11 -0.56 0.02 0.00 -2.04 0.00 0.00 64.34 61.65 2chw n VAL 162 Cb 0.46 0.31 -0.13 0.00 -1.47 0.00 0.00 33.84 33.00 2chw n VAL 162 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2chw n THR 163 N 0.73 0.43 -1.55 3.34 -2.24 -1.26 -4.92 114.28 108.81 2chw n THR 163 Ca 0.15 -0.51 -0.54 0.00 -2.27 0.00 0.00 64.05 60.88 2chw n THR 163 Cb 0.36 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2chw n THR 163 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2chw n ASP 164 N -2.29 0.98 -2.16 3.42 2.03 -1.20 -4.90 116.55 112.42 2chw n ASP 164 Ca -0.12 1.14 -0.06 0.00 0.52 0.00 0.00 54.79 56.26 2chw n ASP 164 Cb 0.68 -1.10 0.05 0.00 -0.72 0.00 0.00 41.12 40.03 2chw n ASP 164 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2chw n VAL 165 N 1.99 1.57 0.13 5.18 0.31 -1.26 -4.85 118.33 121.40 2chw n VAL 165 Ca 0.19 -3.08 -0.24 0.00 -0.01 0.00 0.00 64.34 61.20 2chw n VAL 165 Cb 0.16 0.34 -0.16 0.00 -0.91 0.00 0.00 33.84 33.28 2chw n VAL 165 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2chw h SER 166 N 2.07 0.77 -1.73 4.52 4.64 -1.98 -3.35 113.55 118.50 2chw h SER 166 Ca 0.02 -0.93 -0.70 0.00 -0.47 0.00 0.00 61.79 59.71 2chw h SER 166 Cb 1.42 -0.25 -0.25 0.00 -0.31 0.00 0.00 62.40 63.01 2chw h SER 166 CO 0.33 1.65 0.89 -3.20 -0.87 0.00 0.00 176.83 175.63 2chw n ASN 167 N -3.81 7.28 -4.11 4.97 5.15 -1.26 -4.95 115.26 118.53 2chw n ASN 167 Ca -0.16 -3.68 -0.13 0.00 -0.60 0.00 0.00 54.58 50.01 2chw n ASN 167 Cb 1.05 -1.11 -0.11 0.00 -0.53 0.00 0.00 39.78 39.08 2chw n ASN 167 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2chw s VAL 168 N -4.36 0.67 -0.02 3.44 1.01 -1.26 -4.78 120.40 115.10 2chw s VAL 168 Ca 0.54 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2chw s VAL 168 Cb 0.43 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.90 2chw s VAL 168 CO -0.36 -0.48 0.83 0.00 0.00 0.00 0.00 175.10 175.09 2chw n HIS 169 N 1.05 0.00 -3.50 5.22 1.44 -1.26 -5.08 115.22 113.09 2chw n HIS 169 Ca -0.20 -0.27 -0.01 0.00 -2.01 0.00 0.00 57.72 55.24 2chw n HIS 169 Cb 0.56 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2chw n HIS 169 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2chw n ASP 170 N -0.33 -0.33 -1.65 4.39 5.75 -1.26 -5.08 116.55 118.04 2chw n ASP 170 Ca 0.02 -1.17 -0.16 0.00 -0.01 0.00 0.00 54.79 53.47 2chw n ASP 170 Cb 0.50 0.53 0.12 0.00 -1.03 0.00 0.00 41.12 41.24 2chw n ASP 170 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2chw n ASP 171 N -0.72 4.19 0.36 -1.12 3.85 -1.26 -4.82 116.55 117.03 2chw n ASP 171 Ca -0.00 -3.79 -0.17 0.00 -0.71 0.00 0.00 54.79 50.12 2chw n ASP 171 Cb 0.11 -0.59 -0.08 0.00 -1.35 0.00 0.00 41.12 39.21 2chw n ASP 171 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 2chw h GLU 172 N 1.58 -0.89 -0.85 0.11 4.81 -1.99 -1.14 114.58 116.21 2chw h GLU 172 Ca 0.33 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.84 2chw h GLU 172 Cb 1.45 0.20 -0.14 0.00 0.63 0.00 0.00 28.75 30.89 2chw h GLU 172 CO 0.71 -0.56 0.11 -0.07 -0.73 0.00 0.00 179.01 178.48 2chw h LEU 173 N -1.09 -0.21 -0.31 1.64 3.38 -1.98 0.20 115.31 116.94 2chw h LEU 173 Ca -0.09 0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2chw h LEU 173 Cb 0.74 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2chw h LEU 173 CO 0.16 -0.20 -0.41 -0.33 0.09 0.00 0.00 178.44 177.75 2chw h GLU 174 N 0.14 0.82 -0.67 1.13 4.39 -1.85 0.13 114.58 118.67 2chw h GLU 174 Ca 0.51 -0.47 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2chw h GLU 174 Cb 0.98 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 2chw h GLU 174 CO -0.70 1.10 0.39 0.35 -1.16 0.00 0.00 179.01 179.00 2chw h PHE 175 N 0.59 0.73 -0.42 4.33 3.57 -0.36 -2.16 116.94 123.22 2chw h PHE 175 Ca 0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 2chw h PHE 175 Cb 1.00 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2chw h PHE 175 CO 0.07 0.39 -0.02 1.15 -2.23 0.00 0.00 178.31 177.67 2chw h THR 176 N 0.75 1.26 -0.92 4.41 2.02 -0.26 0.35 112.91 120.53 2chw h THR 176 Ca 0.28 -1.07 0.12 0.00 0.77 0.00 0.00 66.41 66.52 2chw h THR 176 Cb 0.10 1.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.56 2chw h THR 176 CO -0.14 0.36 0.59 0.03 0.37 0.00 0.00 175.52 176.73 2chw h ARG 177 N 0.59 0.80 0.00 6.66 3.08 -0.55 0.33 114.38 125.29 2chw h ARG 177 Ca 0.12 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.96 2chw h ARG 177 Cb 0.52 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2chw h ARG 177 CO 0.03 0.53 -0.76 -0.09 -1.07 0.00 0.00 179.97 178.61 2chw h ARG 178 N 0.83 0.00 -0.01 0.04 2.43 -0.98 -3.24 114.38 113.46 2chw h ARG 178 Ca 0.45 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.50 2chw h ARG 178 Cb 0.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2chw h ARG 178 CO -0.21 0.76 -0.56 0.78 -1.51 0.00 0.00 179.97 179.22 2chw h GLY 179 N 3.02 0.02 1.37 2.80 0.00 0.13 -3.17 103.07 107.24 2chw h GLY 179 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2chw h GLY 179 CO 0.10 0.02 -0.11 1.04 0.00 0.00 0.00 176.54 177.59 2chw n LEU 180 N -3.87 0.24 0.01 3.11 4.77 -0.06 -3.87 117.00 117.34 2chw n LEU 180 Ca -0.01 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2chw n LEU 180 Cb 0.57 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 2chw n LEU 180 CO 0.42 0.05 0.70 0.58 -1.33 0.00 0.00 177.39 177.81 2chw h VAL 181 N 0.21 1.23 0.31 4.08 2.07 -1.64 -2.60 116.25 119.90 2chw h VAL 181 Ca 0.00 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2chw h VAL 181 Cb 0.40 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2chw h VAL 181 CO 0.00 0.19 -0.52 0.74 0.02 0.00 0.00 177.57 178.01 2chw h THR 182 N -0.35 0.01 0.00 2.57 2.02 -1.78 -0.65 112.91 114.73 2chw h THR 182 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2chw h THR 182 Cb 0.34 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2chw h THR 182 CO 0.00 0.00 -0.09 1.55 0.37 0.00 0.00 175.52 177.36 2chw h PRO 183 N -0.88 0.00 0.44 6.66 0.13 -1.76 -0.11 132.00 136.48 2chw h PRO 183 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2chw h PRO 183 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2chw h PRO 183 CO -0.18 0.09 -0.21 -0.09 -0.23 0.00 0.00 178.00 177.38 2chw h ARG 184 N 0.00 -0.57 -1.00 0.86 2.43 -1.05 -2.75 114.38 112.30 2chw h ARG 184 Ca -0.00 0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.44 2chw h ARG 184 Cb 0.19 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 2chw h ARG 184 CO 0.01 -0.38 0.64 0.52 -1.51 0.00 0.00 179.97 179.25 2chw h MET 185 N -1.00 0.45 0.06 0.20 2.86 -0.87 0.23 114.93 116.86 2chw h MET 185 Ca -0.06 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2chw h MET 185 Cb 0.46 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2chw h MET 185 CO 0.10 0.30 -0.27 0.00 1.06 0.00 0.00 176.91 178.10 2chw h ALA 186 N 1.62 -0.41 -0.01 6.32 0.00 -1.05 0.56 119.26 126.29 2chw h ALA 186 Ca 0.56 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.25 2chw h ALA 186 Cb 1.31 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2chw h ALA 186 CO -0.28 -0.79 -0.85 1.49 0.00 0.00 0.00 179.25 178.83 2chw h GLU 187 N -0.44 0.27 -0.49 0.00 4.57 -0.54 -1.28 114.58 116.67 2chw h GLU 187 Ca 0.05 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 57.96 2chw h GLU 187 Cb 0.50 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2chw h GLU 187 CO -0.20 0.97 0.33 0.28 -1.18 0.00 0.00 179.01 179.21 2chw h VAL 188 N 0.16 1.12 0.00 0.32 2.07 -0.57 -0.82 116.25 118.54 2chw h VAL 188 Ca -0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2chw h VAL 188 Cb 1.46 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2chw h VAL 188 CO 0.14 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.85 2chw h ALA 189 N 1.69 1.00 0.04 1.67 0.00 0.64 -3.37 119.26 120.94 2chw h ALA 189 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.73 2chw h ALA 189 Cb -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2chw h ALA 189 CO -0.04 0.00 -2.13 0.45 0.00 0.00 0.00 179.25 177.53 2chw n SER 190 N -2.99 1.41 -4.78 0.00 2.88 -0.40 -5.00 113.62 104.75 2chw n SER 190 Ca 0.03 0.13 -0.34 0.00 -1.33 0.00 0.00 58.87 57.35 2chw n SER 190 Cb 0.42 -0.22 -0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2chw n SER 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2chw s ARG 191 N -2.55 3.41 -0.51 -1.46 1.70 -0.67 -4.98 118.95 113.89 2chw s ARG 191 Ca -0.19 1.51 -0.27 0.00 -0.47 0.00 0.00 55.73 56.30 2chw s ARG 191 Cb 0.07 -2.02 0.03 0.00 -0.57 0.00 0.00 34.95 32.46 2chw s ARG 191 CO 0.75 -0.78 1.07 0.34 -1.08 0.00 0.00 175.30 175.60 2chw s ASP 192 N -1.96 6.51 0.30 -2.89 -1.08 -1.26 -4.93 116.67 111.37 2chw s ASP 192 Ca 0.70 0.18 0.06 0.00 -0.52 0.00 0.00 52.55 52.97 2chw s ASP 192 Cb -0.21 -2.51 0.76 0.00 -1.46 0.00 0.00 42.92 39.50 2chw s ASP 192 CO 0.27 -1.26 1.76 -0.65 0.52 0.00 0.00 175.17 175.81 2chw h PRO 193 N 9.28 0.67 0.41 4.34 0.11 -1.93 0.21 132.00 145.10 2chw h PRO 193 Ca -0.24 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2chw h PRO 193 Cb 1.06 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2chw h PRO 193 CO 1.11 0.44 -0.20 -0.22 -0.21 0.00 0.00 178.00 178.93 2chw h LYS 194 N 0.69 -0.53 -0.32 1.05 3.64 -1.91 -1.39 116.57 117.80 2chw h LYS 194 Ca 0.59 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.93 2chw h LYS 194 Cb 0.97 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2chw h LYS 194 CO -0.41 -0.24 -0.09 -0.07 -2.27 0.00 0.00 179.45 176.37 2chw h LEU 195 N -0.81 0.52 -0.52 5.20 3.38 -1.83 -2.86 115.31 118.39 2chw h LEU 195 Ca -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2chw h LEU 195 Cb 0.54 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2chw h LEU 195 CO 0.09 0.65 0.33 0.22 0.09 0.00 0.00 178.44 179.83 2chw h TYR 196 N 0.50 0.66 -0.19 1.13 3.20 -0.55 0.33 116.97 122.04 2chw h TYR 196 Ca 0.10 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 2chw h TYR 196 Cb 0.47 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2chw h TYR 196 CO 0.02 0.43 -0.21 0.00 -1.64 0.00 0.00 178.16 176.75 2chw h ALA 197 N 1.18 1.28 0.00 1.82 0.00 -1.03 -3.09 119.26 119.42 2chw h ALA 197 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2chw h ALA 197 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2chw h ALA 197 CO -0.04 0.48 -1.32 -1.33 0.00 0.00 0.00 179.25 177.04 2chw n MET 198 N -4.17 0.35 -4.16 0.00 2.81 -1.12 -4.96 117.12 105.86 2chw n MET 198 Ca -0.00 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.41 2chw n MET 198 Cb 0.35 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 2chw n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2chw n HIS 199 N -1.97 -1.30 -1.67 2.03 1.44 0.11 -4.37 115.22 109.48 2chw n HIS 199 Ca 0.00 0.22 -0.45 0.00 -2.01 0.00 0.00 57.72 55.48 2chw n HIS 199 Cb 0.46 -2.72 -0.04 0.00 0.12 0.00 0.00 29.99 27.81 2chw n HIS 199 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2chw n PRO 200 N -4.88 2.53 -2.42 -1.40 -0.04 -1.26 -4.88 135.00 122.65 2chw n PRO 200 Ca -0.18 0.93 -0.43 0.00 -0.04 0.00 0.00 63.50 63.78 2chw n PRO 200 Cb 0.59 -2.82 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 2chw n PRO 200 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2chw s TRP 201 N 4.08 2.72 0.02 0.54 -0.00 -1.26 -5.00 118.94 120.05 2chw s TRP 201 Ca 0.90 0.91 -0.04 0.00 -0.00 0.00 0.00 56.10 57.87 2chw s TRP 201 Cb -0.56 -3.80 -0.01 0.00 -0.00 0.00 0.00 33.47 29.09 2chw s TRP 201 CO 0.46 -1.71 0.06 0.08 -0.00 0.00 0.00 176.95 175.85 2chw s VAL 202 N 4.17 0.11 0.26 5.86 1.01 -1.26 -2.85 120.40 127.69 2chw s VAL 202 Ca 0.56 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2chw s VAL 202 Cb -0.18 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2chw s VAL 202 CO 0.21 -0.50 -0.00 0.28 0.00 0.00 0.00 175.10 175.09 2chw s THR 203 N -1.78 1.17 0.00 3.92 -1.32 -0.40 -4.33 115.64 112.90 2chw s THR 203 Ca -0.12 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.31 2chw s THR 203 Cb -0.06 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 2chw s THR 203 CO -0.01 -0.26 0.51 -1.20 -2.21 0.00 0.00 174.62 171.45 2chw n SER 204 N -0.49 0.97 -4.72 8.08 7.64 -1.26 -4.82 113.62 119.02 2chw n SER 204 Ca -0.05 -1.18 -0.34 0.00 1.01 0.00 0.00 58.87 58.31 2chw n SER 204 Cb 0.64 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.94 2chw n SER 204 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2chw s LYS 205 N -0.18 2.08 0.77 1.43 1.02 -1.26 -5.00 119.74 118.58 2chw s LYS 205 Ca 0.00 1.79 -0.11 0.00 0.02 0.00 0.00 55.97 57.67 2chw s LYS 205 Cb 0.00 -1.82 0.05 0.00 -0.52 0.00 0.00 37.83 35.54 2chw s LYS 205 CO 0.00 -1.89 1.09 -1.25 -0.92 0.00 0.00 175.35 172.38 2chw s PRO 206 N -3.91 2.32 0.03 -1.68 0.04 -1.26 -4.99 135.00 125.55 2chw s PRO 206 Ca 0.75 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2chw s PRO 206 Cb -0.30 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2chw s PRO 206 CO 0.46 -1.60 1.12 -1.17 0.04 0.00 0.00 177.00 175.85 2chw s LEU 207 N -5.88 4.36 1.05 -3.56 0.20 -1.26 -5.03 118.68 108.56 2chw s LEU 207 Ca 0.61 1.87 -0.13 0.00 0.69 0.00 0.00 54.13 57.16 2chw s LEU 207 Cb -0.17 -3.57 0.21 0.00 -0.43 0.00 0.00 46.19 42.23 2chw s LEU 207 CO 0.56 -0.40 1.09 -2.16 -0.29 0.00 0.00 176.35 175.15 2chw s PRO 208 N 1.12 0.03 0.18 0.98 0.04 -1.26 -4.87 135.00 131.22 2chw s PRO 208 Ca 0.56 0.42 -0.06 0.00 0.04 0.00 0.00 61.00 61.96 2chw s PRO 208 Cb -0.26 -1.70 0.08 0.00 0.04 0.00 0.00 34.50 32.66 2chw s PRO 208 CO 0.28 -2.98 1.51 1.49 0.04 0.00 0.00 177.00 177.34 2chw h GLU 209 N -2.07 0.69 0.00 4.56 4.81 -1.91 -2.78 114.58 117.88 2chw h GLU 209 Ca -0.54 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.29 2chw h GLU 209 Cb 1.33 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2chw h GLU 209 CO 0.54 1.02 0.00 0.10 -0.73 0.00 0.00 179.01 179.94 2chw h TYR 210 N 0.55 0.00 0.00 0.92 -0.00 -1.94 -1.39 116.97 115.11 2chw h TYR 210 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.76 2chw h TYR 210 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.76 2chw h TYR 210 CO 0.05 0.00 -1.38 1.28 -0.00 0.00 0.00 178.16 178.11 2chw n LEU 211 N -2.80 0.52 -0.08 0.10 4.77 -1.19 -4.21 117.00 114.12 2chw n LEU 211 Ca -0.00 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 2chw n LEU 211 Cb 0.18 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2chw n LEU 211 CO 0.21 0.13 0.44 -0.50 -1.33 0.00 0.00 177.39 176.34 2chw h TRP 212 N 0.00 1.06 0.00 -1.77 4.06 -1.00 -2.55 115.95 115.74 2chw h TRP 212 Ca 0.00 -0.38 0.00 0.00 2.06 0.00 0.00 58.89 60.57 2chw h TRP 212 Cb 0.68 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2chw h TRP 212 CO 0.00 1.20 0.00 1.63 -3.56 0.00 0.00 178.44 177.71 2chw n LYS 213 N -4.05 0.00 -0.02 0.49 4.76 -0.71 -0.93 118.16 117.70 2chw n LYS 213 Ca -0.05 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.42 2chw n LYS 213 Cb 0.61 -1.42 -0.08 0.00 -1.84 0.00 0.00 35.03 32.29 2chw n LYS 213 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2chw n LYS 214 N -0.92 0.87 -3.14 1.97 5.02 -0.97 -4.52 118.16 116.48 2chw n LYS 214 Ca 0.00 -0.07 -0.37 0.00 -2.02 0.00 0.00 58.31 55.85 2chw n LYS 214 Cb 0.00 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 2chw n LYS 214 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2chw n ILE 215 N -2.02 4.24 -0.47 -0.18 5.41 -0.11 -4.93 119.36 121.30 2chw n ILE 215 Ca -0.06 -5.68 -0.01 0.00 1.00 0.00 0.00 62.75 58.00 2chw n ILE 215 Cb 0.43 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.31 2chw n ILE 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2chw n ALA 216 N 1.03 3.82 -0.80 -1.39 0.00 -1.23 -3.51 120.51 118.43 2chw n ALA 216 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2chw n ALA 216 Cb 0.36 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2chw n ALA 216 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2chw n ASN 217 N 1.71 0.00 -4.06 0.00 0.23 -1.26 -5.03 115.26 106.85 2chw n ASN 217 Ca 0.05 -0.27 -0.28 0.00 -0.53 0.00 0.00 54.58 53.55 2chw n ASN 217 Cb 0.46 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.12 2chw n ASN 217 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2chw n ASN 218 N 0.00 -0.26 -3.72 0.53 2.85 -1.23 -4.98 115.26 108.45 2chw n ASN 218 Ca 0.00 -1.07 -0.13 0.00 -0.11 0.00 0.00 54.58 53.27 2chw n ASN 218 Cb 0.13 -2.69 -0.10 0.00 1.24 0.00 0.00 39.78 38.36 2chw n ASN 218 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2chw s ILE 220 N 0.33 -0.09 0.06 0.00 1.01 0.47 -4.88 121.20 118.10 2chw s ILE 220 Ca -0.01 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.77 2chw s ILE 220 Cb -0.03 -0.14 -0.06 0.00 0.01 0.00 0.00 42.46 42.23 2chw s ILE 220 CO -0.01 0.12 0.53 -0.36 0.00 0.00 0.00 174.94 175.23 2chw s PHE 221 N 1.57 3.77 -0.07 3.97 2.99 -1.26 -2.07 117.98 126.88 2chw s PHE 221 Ca -0.03 1.19 -0.00 0.00 0.00 0.00 0.00 56.93 58.09 2chw s PHE 221 Cb -0.12 -2.44 0.03 0.00 0.00 0.00 0.00 43.02 40.48 2chw s PHE 221 CO -0.03 0.59 -0.02 0.42 -0.00 0.00 0.00 175.22 176.17 2chw s ILE 222 N -1.14 0.51 -0.60 0.64 1.01 -1.16 -4.29 121.20 116.17 2chw s ILE 222 Ca 0.29 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.75 2chw s ILE 222 Cb -0.18 -0.61 0.11 0.00 0.01 0.00 0.00 42.46 41.79 2chw s ILE 222 CO 0.18 0.26 0.68 -0.69 0.00 0.00 0.00 174.94 175.37 2chw s VAL 223 N 1.59 4.92 0.21 2.92 1.01 -0.07 -2.02 120.40 128.96 2chw s VAL 223 Ca -0.00 -1.16 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 2chw s VAL 223 Cb -0.13 -4.47 -0.08 0.00 0.00 0.00 0.00 36.38 31.70 2chw s VAL 223 CO -0.04 -1.09 0.76 -0.63 0.00 0.00 0.00 175.10 174.11 2chw s ILE 224 N 2.39 4.46 0.12 2.22 1.01 -1.00 -1.34 121.20 129.06 2chw s ILE 224 Ca 0.11 1.50 0.09 0.00 0.00 0.00 0.00 60.65 62.35 2chw s ILE 224 Cb -0.24 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2chw s ILE 224 CO 0.05 0.33 -0.22 -1.00 0.00 0.00 0.00 174.94 174.09 2chw s HIS 225 N -1.38 1.97 0.00 3.97 3.76 0.11 -2.49 115.29 121.23 2chw s HIS 225 Ca 0.41 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 2chw s HIS 225 Cb -0.19 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.44 2chw s HIS 225 CO 0.23 0.28 0.00 -2.13 -0.85 0.00 0.00 174.74 172.27 2chw n ARG 226 N 0.89 0.00 0.00 1.40 0.00 0.12 -0.94 116.66 118.13 2chw n ARG 226 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 2chw n ARG 226 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 2chw n ARG 226 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2chw n SER 227 N 0.00 0.00 -2.76 6.15 7.64 -1.26 -4.64 113.62 118.75 2chw n SER 227 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2chw n SER 227 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2chw n SER 227 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2chw n THR 228 N 0.00 1.90 -4.80 0.44 -2.24 -1.26 -5.06 114.28 103.27 2chw n THR 228 Ca 0.00 -4.70 -0.25 0.00 -2.27 0.00 0.00 64.05 56.82 2chw n THR 228 Cb 0.00 -0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 67.31 2chw n THR 228 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2chw s THR 229 N -4.26 1.47 0.10 4.28 2.01 -1.26 -5.16 115.64 112.82 2chw s THR 229 Ca 0.43 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.36 2chw s THR 229 Cb 0.37 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.68 2chw s THR 229 CO -0.11 0.34 0.45 -0.94 -0.69 0.00 0.00 174.62 173.66 2chw s SER 230 N -0.64 -0.32 0.16 3.53 1.04 -1.26 0.15 113.70 116.37 2chw s SER 230 Ca 0.07 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.19 2chw s SER 230 Cb -0.07 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2chw s SER 230 CO -0.00 -0.81 0.46 -1.58 0.98 0.00 0.00 173.24 172.29 2chw s GLN 231 N -3.32 1.23 -0.10 4.02 2.00 -1.04 -5.03 119.66 117.42 2chw s GLN 231 Ca -0.00 -0.80 -0.02 0.00 -2.00 0.00 0.00 55.36 52.54 2chw s GLN 231 Cb 0.01 0.49 -0.03 0.00 0.80 0.00 0.00 33.01 34.28 2chw s GLN 231 CO -0.09 -0.50 0.00 0.99 -0.50 0.00 0.00 175.29 175.20 2chw s THR 232 N -3.84 4.33 -0.02 -0.34 2.01 -1.26 -2.37 115.64 114.15 2chw s THR 232 Ca 0.07 -0.23 0.06 0.00 0.31 0.00 0.00 61.69 61.89 2chw s THR 232 Cb 0.01 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 2chw s THR 232 CO -0.07 0.59 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.63 2chw s ILE 233 N -0.75 2.63 -0.28 1.82 1.09 -0.86 -4.96 121.20 119.89 2chw s ILE 233 Ca 0.12 -0.98 -0.24 0.00 -1.10 0.00 0.00 60.65 58.46 2chw s ILE 233 Cb -0.12 -2.01 -0.00 0.00 -1.06 0.00 0.00 42.46 39.27 2chw s ILE 233 CO 0.02 0.53 0.79 -0.54 -0.10 0.00 0.00 174.94 175.64 2chw s LYS 234 N -0.86 4.04 0.02 2.79 1.02 -1.26 -3.00 119.74 122.48 2chw s LYS 234 Ca 0.12 0.69 0.02 0.00 0.02 0.00 0.00 55.97 56.81 2chw s LYS 234 Cb -0.10 -3.70 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 2chw s LYS 234 CO 0.01 -0.61 -0.07 0.08 -0.92 0.00 0.00 175.35 173.84 2chw s VAL 235 N 2.90 0.52 0.03 3.17 1.01 -0.88 -4.98 120.40 122.17 2chw s VAL 235 Ca 0.33 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 2chw s VAL 235 Cb -0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 2chw s VAL 235 CO 0.11 -0.07 0.34 -0.94 0.00 0.00 0.00 175.10 174.54 2chw s SER 236 N -0.72 6.61 0.43 3.32 1.04 -1.26 0.18 113.70 123.29 2chw s SER 236 Ca -0.02 0.73 0.31 0.00 0.48 0.00 0.00 55.95 57.45 2chw s SER 236 Cb -0.05 -2.16 1.45 0.00 0.10 0.00 0.00 66.02 65.36 2chw s SER 236 CO 0.00 0.24 1.52 -2.65 0.98 0.00 0.00 173.24 173.33 2chw n PRO 237 N 1.21 -0.04 0.04 4.02 -0.02 -1.26 -0.07 135.00 138.88 2chw n PRO 237 Ca -0.11 1.23 0.13 0.00 -2.02 0.00 0.00 63.50 62.73 2chw n PRO 237 Cb 0.53 -2.41 0.38 0.00 -0.02 0.00 0.00 33.50 31.98 2chw n PRO 237 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2chw n ASP 238 N -4.69 0.48 -4.75 2.55 8.00 -1.26 -0.70 116.55 116.18 2chw n ASP 238 Ca 0.39 0.27 -0.42 0.00 0.71 0.00 0.00 54.79 55.74 2chw n ASP 238 Cb 1.52 -0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 42.36 2chw n ASP 238 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2chw n ASP 239 N -1.84 3.56 -4.91 -2.24 10.43 0.90 -4.41 116.55 118.05 2chw n ASP 239 Ca 0.05 1.21 -0.27 0.00 2.57 0.00 0.00 54.79 58.35 2chw n ASP 239 Cb 0.39 -1.58 0.05 0.00 1.84 0.00 0.00 41.12 41.81 2chw n ASP 239 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2chw s THR 240 N -0.89 3.03 0.46 -3.53 -4.23 -1.26 -1.35 115.64 107.87 2chw s THR 240 Ca 0.56 -0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.22 2chw s THR 240 Cb -0.50 -3.27 0.33 0.00 1.34 0.00 0.00 72.50 70.39 2chw s THR 240 CO 0.61 -0.30 2.01 -0.65 -0.54 0.00 0.00 174.62 175.75 2chw h PRO 241 N -0.47 0.29 0.18 3.99 0.11 -1.76 -3.03 132.00 131.30 2chw h PRO 241 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2chw h PRO 241 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2chw h PRO 241 CO 0.62 0.19 -0.09 0.78 -0.21 0.00 0.00 178.00 179.29 2chw h GLY 242 N 0.30 -0.25 -4.94 -0.55 0.00 -1.91 -3.26 103.07 92.46 2chw h GLY 242 Ca 0.22 0.09 -0.38 0.00 0.00 0.00 0.00 47.33 47.26 2chw h GLY 242 CO -0.05 -0.09 2.05 0.00 0.00 0.00 0.00 176.54 178.45 2chw n ALA 243 N -2.48 5.57 0.00 3.60 0.00 -1.15 -1.96 120.51 124.09 2chw n ALA 243 Ca -0.08 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.16 2chw n ALA 243 Cb 0.26 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.84 2chw n ALA 243 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2chw n ILE 244 N 3.52 0.00 -0.01 0.00 5.41 -1.22 -4.04 119.36 123.02 2chw n ILE 244 Ca 0.50 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 64.12 2chw n ILE 244 Cb 0.34 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.17 2chw n ILE 244 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2chw h LEU 245 N 0.00 -0.05 -2.18 1.39 3.38 -1.43 0.17 115.31 116.59 2chw h LEU 245 Ca 0.00 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.38 2chw h LEU 245 Cb 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2chw h LEU 245 CO 0.00 0.60 0.02 1.56 0.09 0.00 0.00 178.44 180.72 2chw h GLN 246 N -0.74 0.00 0.18 1.13 4.20 -1.86 -0.32 115.11 117.71 2chw h GLN 246 Ca -0.01 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 2chw h GLN 246 Cb 0.64 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.44 2chw h GLN 246 CO 0.01 0.00 -1.37 0.66 -0.67 0.00 0.00 178.83 177.46 2chw h SER 247 N 0.00 0.61 -0.28 1.46 4.64 -1.83 -3.11 113.55 115.03 2chw h SER 247 Ca 0.01 -0.92 -0.03 0.00 -0.47 0.00 0.00 61.79 60.38 2chw h SER 247 Cb 0.05 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2chw h SER 247 CO -0.00 1.64 0.08 0.15 -0.87 0.00 0.00 176.83 177.82 2chw h PHE 248 N -0.08 0.53 -0.01 4.77 3.57 0.07 0.21 116.94 126.00 2chw h PHE 248 Ca -0.26 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2chw h PHE 248 Cb 1.94 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.52 2chw h PHE 248 CO 0.14 0.47 -0.05 1.19 -2.23 0.00 0.00 178.31 177.84 2chw n PHE 249 N -4.33 0.00 0.99 0.41 3.01 -0.20 -0.39 117.46 116.95 2chw n PHE 249 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 2chw n PHE 249 Cb 0.19 -0.03 0.04 0.00 -0.01 0.00 0.00 39.48 39.67 2chw n PHE 249 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2chw n THR 250 N -0.10 0.00 0.41 4.37 -1.04 -0.48 -4.08 114.28 113.37 2chw n THR 250 Ca 0.18 -0.36 0.04 0.00 -2.04 0.00 0.00 64.05 61.87 2chw n THR 250 Cb 0.33 1.36 -0.02 0.00 -1.82 0.00 0.00 70.33 70.17 2chw n THR 250 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2chw n LYS 251 N 0.54 3.11 -3.68 -2.82 5.02 0.60 -4.84 118.16 116.08 2chw n LYS 251 Ca 0.11 -0.30 -0.27 0.00 -2.02 0.00 0.00 58.31 55.83 2chw n LYS 251 Cb 0.52 -0.99 -0.17 0.00 -0.02 0.00 0.00 35.03 34.38 2chw n LYS 251 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2chw s MET 252 N -1.54 0.43 0.00 1.97 1.75 0.48 -5.03 119.30 117.36 2chw s MET 252 Ca 0.06 -0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.16 2chw s MET 252 Cb 0.07 -1.97 0.00 0.00 2.84 0.00 0.00 34.83 35.77 2chw s MET 252 CO 0.29 -0.68 0.00 0.00 -0.65 0.00 0.00 175.02 173.98 2chw n ALA 253 N 5.13 0.00 -2.29 4.11 0.00 -1.26 -4.51 120.51 121.68 2chw n ALA 253 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 2chw n ALA 253 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2chw n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2chw n LYS 254 N 0.00 2.47 0.00 0.00 4.01 -1.26 -5.05 118.16 118.32 2chw n LYS 254 Ca 0.00 -2.88 0.00 0.00 -0.51 0.00 0.00 58.31 54.92 2chw n LYS 254 Cb 0.00 -3.57 0.00 0.00 -0.51 0.00 0.00 35.03 30.95 2chw n LYS 254 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2chw n ASP 269 N 10.80 0.00 -2.65 4.39 -0.08 -1.26 -5.24 116.55 122.51 2chw n ASP 269 Ca 0.47 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.68 2chw n ASP 269 Cb 0.46 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.97 2chw n ASP 269 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2chw n PHE 270 N 0.00 -3.67 -3.72 -0.67 3.01 -1.26 -4.68 117.46 106.47 2chw n PHE 270 Ca 0.00 -0.43 -0.12 0.00 1.01 0.00 0.00 57.45 57.91 2chw n PHE 270 Cb 0.00 -0.27 -0.10 0.00 -0.01 0.00 0.00 39.48 39.10 2chw n PHE 270 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2chw s VAL 271 N -1.37 -0.01 0.13 -4.37 1.01 0.13 -4.76 120.40 111.16 2chw s VAL 271 Ca 0.21 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.99 2chw s VAL 271 Cb -0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 36.38 35.73 2chw s VAL 271 CO 0.15 0.01 0.71 -0.76 0.00 0.00 0.00 175.10 175.21 2chw s LEU 272 N 0.62 4.57 -0.00 3.92 1.43 -1.26 -2.42 118.68 125.53 2chw s LEU 272 Ca -0.03 1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 2chw s LEU 272 Cb -0.05 -3.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.01 2chw s LEU 272 CO -0.04 0.22 0.04 -0.60 0.23 0.00 0.00 176.35 176.20 2chw s ARG 273 N -1.07 0.25 0.34 1.70 3.52 -1.07 -2.48 118.95 120.14 2chw s ARG 273 Ca 0.34 -0.28 -0.27 0.00 -0.13 0.00 0.00 55.73 55.38 2chw s ARG 273 Cb -0.22 0.10 -0.09 0.00 -1.56 0.00 0.00 34.95 33.18 2chw s ARG 273 CO 0.24 -0.05 1.08 0.08 -0.81 0.00 0.00 175.30 175.84 2chw s VAL 274 N -0.83 3.57 -0.17 7.11 1.01 -0.72 -0.65 120.40 129.71 2chw s VAL 274 Ca -0.09 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 2chw s VAL 274 Cb -0.06 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2chw s VAL 274 CO -0.00 0.20 1.65 0.00 0.00 0.00 0.00 175.10 176.95 2chw n GLY 276 N 4.54 0.65 2.92 0.00 0.00 -1.24 -4.47 105.19 107.59 2chw n GLY 276 Ca 0.19 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2chw n GLY 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2chw s ARG 277 N -0.49 0.20 -1.26 1.61 0.52 -1.06 -4.70 118.95 113.77 2chw s ARG 277 Ca 0.00 -0.17 -0.19 0.00 -0.52 0.00 0.00 55.73 54.85 2chw s ARG 277 Cb 0.00 -0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.34 2chw s ARG 277 CO 0.00 0.03 1.84 -3.47 0.02 0.00 0.00 175.30 173.73 2chw n ASP 278 N 2.78 4.25 -3.64 0.23 4.64 -0.73 -4.40 116.55 119.68 2chw n ASP 278 Ca -0.14 -2.84 -0.15 0.00 -1.38 0.00 0.00 54.79 50.27 2chw n ASP 278 Cb 0.59 -1.71 -0.07 0.00 -1.04 0.00 0.00 41.12 38.88 2chw n ASP 278 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 2chw s GLU 279 N 4.77 0.88 -0.01 -0.67 2.56 -1.26 -4.69 118.70 120.28 2chw s GLU 279 Ca 0.57 -0.03 -0.12 0.00 0.00 0.00 0.00 54.97 55.40 2chw s GLU 279 Cb 0.04 0.40 0.02 0.00 2.00 0.00 0.00 34.13 36.59 2chw s GLU 279 CO 0.08 -0.27 0.25 0.71 -0.56 0.00 0.00 175.26 175.47 2chw s TYR 280 N -1.47 -0.11 -0.83 5.30 1.51 -1.26 -1.76 117.35 118.73 2chw s TYR 280 Ca -0.11 0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2chw s TYR 280 Cb -0.02 0.05 0.20 0.00 -0.11 0.00 0.00 41.96 42.08 2chw s TYR 280 CO 0.06 -0.34 0.70 -0.51 -1.11 0.00 0.00 175.55 174.34 2chw s LEU 281 N -1.28 5.38 0.16 -1.29 2.01 -1.04 -4.66 118.68 117.97 2chw s LEU 281 Ca -0.13 -3.67 0.07 0.00 0.01 0.00 0.00 54.13 50.40 2chw s LEU 281 Cb -0.06 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.25 2chw s LEU 281 CO 0.03 -0.18 -0.15 -0.69 1.01 0.00 0.00 176.35 176.37 2chw s VAL 282 N -1.26 1.57 0.00 -1.59 1.01 -1.26 -4.48 120.40 114.38 2chw s VAL 282 Ca 0.26 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2chw s VAL 282 Cb -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2chw s VAL 282 CO -0.12 -0.48 0.00 0.61 0.00 0.00 0.00 175.10 175.11 2chw n GLY 283 N 0.12 0.60 3.50 4.51 0.00 -1.26 -4.80 105.19 107.85 2chw n GLY 283 Ca -0.12 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 2chw n GLY 283 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2chw s GLU 284 N -2.73 3.64 -0.11 1.61 0.41 -1.26 -4.33 118.70 115.93 2chw s GLU 284 Ca 0.00 -1.57 -0.14 0.00 -0.41 0.00 0.00 54.97 52.84 2chw s GLU 284 Cb 0.00 -5.12 0.04 0.00 -1.78 0.00 0.00 34.13 27.27 2chw s GLU 284 CO 0.00 -1.96 0.38 0.99 -0.49 0.00 0.00 175.26 174.18 2chw s THR 285 N 3.56 0.01 -0.37 3.63 2.01 -1.26 -5.11 115.64 118.12 2chw s THR 285 Ca 0.39 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.99 2chw s THR 285 Cb -0.02 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 2chw s THR 285 CO -0.08 -0.07 1.87 -2.84 -0.69 0.00 0.00 174.62 172.81 2chw s PRO 286 N -0.23 3.16 0.61 4.92 0.02 -1.26 -4.37 135.00 137.85 2chw s PRO 286 Ca -0.04 1.36 0.12 0.00 0.02 0.00 0.00 61.00 62.46 2chw s PRO 286 Cb -0.03 -4.26 0.63 0.00 0.02 0.00 0.00 34.50 30.86 2chw s PRO 286 CO 0.02 -2.07 1.33 -0.84 -0.33 0.00 0.00 177.00 175.10 2chw h ILE 287 N 6.89 0.00 0.00 2.83 -0.00 -1.09 1.99 117.51 128.14 2chw h ILE 287 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.53 2chw h ILE 287 Cb 1.18 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 38.25 2chw h ILE 287 CO 1.06 0.00 0.12 2.29 -0.00 0.00 0.00 178.15 181.62 2chw n LYS 288 N -2.54 0.06 -0.37 0.16 2.85 0.12 -2.39 118.16 116.05 2chw n LYS 288 Ca -0.01 0.52 0.11 0.00 -1.05 0.00 0.00 58.31 57.88 2chw n LYS 288 Cb 0.71 -1.83 0.31 0.00 -0.65 0.00 0.00 35.03 33.58 2chw n LYS 288 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2chw n ASN 289 N -1.82 3.93 -4.76 -5.58 4.13 0.68 -4.75 115.26 107.08 2chw n ASN 289 Ca -0.01 -2.02 -0.37 0.00 1.68 0.00 0.00 54.58 53.86 2chw n ASN 289 Cb 0.13 -0.48 -0.07 0.00 -1.54 0.00 0.00 39.78 37.83 2chw n ASN 289 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2chw s PHE 290 N -1.04 3.53 0.22 3.10 0.40 -1.01 -1.27 117.98 121.91 2chw s PHE 290 Ca 0.47 0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 57.45 2chw s PHE 290 Cb 0.25 -2.34 0.18 0.00 0.51 0.00 0.00 43.02 41.62 2chw s PHE 290 CO 0.32 0.34 1.79 1.96 0.70 0.00 0.00 175.22 180.32 2chw h GLN 291 N 6.20 1.18 -0.19 0.44 1.08 -1.88 -1.85 115.11 120.09 2chw h GLN 291 Ca -0.44 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 56.53 2chw h GLN 291 Cb 1.18 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 2chw h GLN 291 CO 0.72 0.95 0.03 2.35 -0.95 0.00 0.00 178.83 181.93 2chw h TRP 292 N 1.15 0.27 0.09 2.96 2.91 -1.94 0.70 115.95 122.08 2chw h TRP 292 Ca 0.26 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.27 2chw h TRP 292 Cb 0.21 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.78 2chw h TRP 292 CO 0.02 0.26 -0.04 0.28 -1.03 0.00 0.00 178.44 177.93 2chw h VAL 293 N 0.27 1.10 0.00 2.65 2.07 -1.68 -2.16 116.25 118.50 2chw h VAL 293 Ca 0.07 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2chw h VAL 293 Cb 0.14 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2chw h VAL 293 CO -0.00 0.17 0.00 0.03 0.02 0.00 0.00 177.57 177.79 2chw h ARG 294 N -0.44 0.00 0.20 1.57 3.08 -0.77 -1.26 114.38 116.75 2chw h ARG 294 Ca -0.01 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.74 2chw h ARG 294 Cb 0.37 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.46 2chw h ARG 294 CO 0.02 0.00 -1.30 1.25 -1.07 0.00 0.00 179.97 178.87 2chw h HIS 295 N 0.00 0.93 0.12 3.04 2.76 -0.68 -2.61 115.15 118.70 2chw h HIS 295 Ca 0.00 -0.65 0.00 0.00 -2.20 0.00 0.00 60.37 57.52 2chw h HIS 295 Cb 0.16 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2chw h HIS 295 CO 0.00 1.50 -0.10 0.00 -1.30 0.00 0.00 177.93 178.02 2chw h LEU 297 N -0.24 -0.70 -1.54 0.00 3.38 -1.50 0.26 115.31 114.97 2chw h LEU 297 Ca 0.00 0.06 0.49 0.00 0.09 0.00 0.00 57.88 58.52 2chw h LEU 297 Cb 0.22 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 2chw h LEU 297 CO -0.02 -0.31 1.05 1.17 0.09 0.00 0.00 178.44 180.41 2chw n LYS 298 N -3.86 -0.02 -0.23 1.13 4.81 -0.98 -0.76 118.16 118.25 2chw n LYS 298 Ca -0.05 1.11 0.06 0.00 -0.87 0.00 0.00 58.31 58.56 2chw n LYS 298 Cb 0.22 -2.33 0.17 0.00 0.02 0.00 0.00 35.03 33.11 2chw n LYS 298 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2chw n ASN 299 N -4.25 3.03 -2.10 3.14 3.02 -0.95 -5.00 115.26 112.16 2chw n ASN 299 Ca 0.40 -2.54 -0.14 0.00 -0.03 0.00 0.00 54.58 52.27 2chw n ASN 299 Cb 1.65 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 40.52 2chw n ASN 299 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2chw n GLY 300 N -0.33 0.02 3.52 7.41 0.00 0.06 -5.02 105.19 110.86 2chw n GLY 300 Ca 0.14 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2chw n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2chw s GLU 301 N -5.50 1.87 0.11 1.61 2.02 0.77 -5.02 118.70 114.57 2chw s GLU 301 Ca 0.26 -1.46 -0.12 0.00 0.02 0.00 0.00 54.97 53.68 2chw s GLU 301 Cb -0.12 -2.00 -0.06 0.00 0.10 0.00 0.00 34.13 32.05 2chw s GLU 301 CO 0.33 0.39 0.47 -1.21 0.02 0.00 0.00 175.26 175.26 2chw s GLU 302 N -3.04 3.86 -0.73 1.61 2.02 -1.26 -4.38 118.70 116.78 2chw s GLU 302 Ca 0.26 0.32 -0.18 0.00 0.02 0.00 0.00 54.97 55.39 2chw s GLU 302 Cb -0.07 -2.96 0.14 0.00 0.10 0.00 0.00 34.13 31.34 2chw s GLU 302 CO 0.14 0.51 0.82 0.42 0.02 0.00 0.00 175.26 177.18 2chw s ILE 303 N -1.44 4.97 -0.08 -1.63 1.01 -1.26 -4.99 121.20 117.79 2chw s ILE 303 Ca 0.36 -1.47 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 2chw s ILE 303 Cb -0.14 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 2chw s ILE 303 CO 0.19 -1.20 0.36 -1.00 0.00 0.00 0.00 174.94 173.28 2chw s HIS 304 N 2.12 3.60 0.02 3.97 3.76 -1.26 -0.89 115.29 126.61 2chw s HIS 304 Ca 0.18 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 55.92 2chw s HIS 304 Cb -0.16 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.20 2chw s HIS 304 CO -0.01 0.46 -0.04 0.08 -0.85 0.00 0.00 174.74 174.37 2chw s VAL 305 N -0.34 0.28 -0.07 -0.90 1.01 -0.45 -1.38 120.40 118.54 2chw s VAL 305 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2chw s VAL 305 Cb -0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 2chw s VAL 305 CO 0.09 -0.27 -0.05 0.54 0.00 0.00 0.00 175.10 175.41 2chw s VAL 306 N -0.95 3.86 -0.58 2.92 0.11 0.18 0.04 120.40 125.99 2chw s VAL 306 Ca -0.08 -0.42 -0.22 0.00 -2.93 0.00 0.00 61.98 58.33 2chw s VAL 306 Cb -0.07 -2.59 0.06 0.00 -1.53 0.00 0.00 36.38 32.25 2chw s VAL 306 CO -0.00 0.60 0.88 -0.22 -3.33 0.00 0.00 175.10 173.03 2chw s LEU 307 N -0.82 4.41 0.00 2.54 2.96 -0.12 -2.61 118.68 125.05 2chw s LEU 307 Ca 0.12 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 2chw s LEU 307 Cb -0.11 -2.60 0.00 0.00 0.50 0.00 0.00 46.19 43.98 2chw s LEU 307 CO 0.02 -1.23 0.00 -0.90 -1.32 0.00 0.00 176.35 172.91 2chw n ASP 308 N 7.26 0.69 -4.87 3.68 5.75 -1.02 -4.90 116.55 123.14 2chw n ASP 308 Ca -0.02 -0.92 -0.21 0.00 -0.01 0.00 0.00 54.79 53.63 2chw n ASP 308 Cb 0.46 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.63 2chw n ASP 308 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2chw s THR 309 N -1.55 2.21 0.22 2.12 -4.23 -1.26 0.18 115.64 113.33 2chw s THR 309 Ca 0.00 -0.81 -0.31 0.00 -1.18 0.00 0.00 61.69 59.39 2chw s THR 309 Cb 0.00 -2.41 -0.10 0.00 1.34 0.00 0.00 72.50 71.33 2chw s THR 309 CO 0.00 0.00 1.54 -2.84 -0.54 0.00 0.00 174.62 172.78 2chw s PRO 310 N -4.86 4.21 0.13 3.99 0.02 -1.26 -4.62 135.00 132.61 2chw s PRO 310 Ca 0.63 2.39 -0.34 0.00 0.02 0.00 0.00 61.00 63.70 2chw s PRO 310 Cb -0.06 -3.11 -0.13 0.00 0.02 0.00 0.00 34.50 31.21 2chw s PRO 310 CO 0.41 -0.56 1.63 -0.35 -0.33 0.00 0.00 177.00 177.80 2chw n PRO 311 N 3.13 2.18 -1.39 5.54 -0.04 -1.26 -4.76 135.00 138.40 2chw n PRO 311 Ca 0.11 0.79 -0.50 0.00 -0.04 0.00 0.00 63.50 63.85 2chw n PRO 311 Cb 0.39 -2.57 -0.12 0.00 -0.04 0.00 0.00 33.50 31.16 2chw n PRO 311 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2chw n ASP 312 N 3.93 0.92 0.00 3.54 2.03 -1.26 -4.75 116.55 120.97 2chw n ASP 312 Ca 0.18 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.87 2chw n ASP 312 Cb 0.29 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 2chw n ASP 312 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2chw n PRO 313 N 8.06 0.00 0.00 -0.67 -0.02 -1.26 -0.49 135.00 140.61 2chw n PRO 313 Ca 0.55 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 2chw n PRO 313 Cb 0.07 -1.51 0.29 0.00 -0.02 0.00 0.00 33.50 32.33 2chw n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2chw n ALA 314 N -1.03 3.32 0.63 3.55 0.00 -1.26 -4.03 120.51 121.69 2chw n ALA 314 Ca 0.00 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.15 2chw n ALA 314 Cb 0.01 -1.09 0.45 0.00 0.00 0.00 0.00 19.45 18.82 2chw n ALA 314 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2chw n LEU 315 N -0.88 0.65 -2.37 0.00 4.77 0.35 -2.62 117.00 116.91 2chw n LEU 315 Ca 0.10 0.58 -0.35 0.00 -0.03 0.00 0.00 56.01 56.31 2chw n LEU 315 Cb 0.35 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2chw n LEU 315 CO 0.29 -0.23 1.41 -0.90 -1.33 0.00 0.00 177.39 176.63 2chw n ASP 316 N -2.13 7.59 -4.72 -1.43 5.75 -1.26 -2.45 116.55 117.90 2chw n ASP 316 Ca 0.05 -3.79 -0.42 0.00 -0.01 0.00 0.00 54.79 50.61 2chw n ASP 316 Cb 0.37 -0.96 -0.03 0.00 -1.03 0.00 0.00 41.12 39.47 2chw n ASP 316 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2chw n GLU 317 N -0.88 2.70 -3.93 0.11 2.13 -1.08 -4.64 120.64 115.06 2chw n GLU 317 Ca 0.61 0.97 -0.35 0.00 0.66 0.00 0.00 57.16 59.06 2chw n GLU 317 Cb 0.64 -2.80 -0.09 0.00 0.27 0.00 0.00 31.44 29.46 2chw n GLU 317 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2chw s VAL 318 N 1.00 5.06 0.50 6.31 1.01 -1.26 -1.76 120.40 131.26 2chw s VAL 318 Ca 0.74 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.54 2chw s VAL 318 Cb -0.52 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 2chw s VAL 318 CO 0.35 0.49 1.39 -0.60 0.00 0.00 0.00 175.10 176.73 2chw s ARG 319 N 0.03 3.42 0.10 2.72 3.52 -1.26 -4.97 118.95 122.51 2chw s ARG 319 Ca 0.07 2.32 -0.20 0.00 -0.13 0.00 0.00 55.73 57.79 2chw s ARG 319 Cb -0.12 -2.46 -0.07 0.00 -1.56 0.00 0.00 34.95 30.75 2chw s ARG 319 CO 0.00 -1.00 0.61 -1.59 -0.81 0.00 0.00 175.30 172.51 2chw s LYS 320 N -2.68 4.26 -0.13 5.12 0.00 -1.26 -5.02 119.74 120.03 2chw s LYS 320 Ca 0.66 0.81 0.02 0.00 0.00 0.00 0.00 55.97 57.46 2chw s LYS 320 Cb -0.42 -3.22 0.00 0.00 0.00 0.00 0.00 37.83 34.19 2chw s LYS 320 CO 0.52 0.62 -0.20 -1.21 0.00 0.00 0.00 175.35 175.08 2chw s GLU 321 N -1.17 3.13 0.00 1.78 2.02 -1.26 -5.16 118.70 118.03 2chw s GLU 321 Ca 0.31 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.49 2chw s GLU 321 Cb -0.20 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.56 2chw s GLU 321 CO 0.20 0.08 0.00 -0.85 0.02 0.00 0.00 175.26 174.71 2chw n GLU 322 N 3.84 0.00 0.00 1.61 0.28 -1.26 -5.20 120.64 119.91 2chw n GLU 322 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 2chw n GLU 322 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 2chw n GLU 322 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2chw n ASP 358 N 0.00 2.58 -4.83 0.00 9.92 -1.26 -1.31 116.55 121.64 2chw n ASP 358 Ca 0.00 -2.25 -0.38 0.00 -0.53 0.00 0.00 54.79 51.63 2chw n ASP 358 Cb 0.00 -0.55 -0.06 0.00 -0.64 0.00 0.00 41.12 39.87 2chw n ASP 358 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2chw s ARG 359 N -0.96 3.92 0.25 -1.24 6.06 -1.26 -4.89 118.95 120.83 2chw s ARG 359 Ca 0.11 0.40 -0.30 0.00 -2.50 0.00 0.00 55.73 53.44 2chw s ARG 359 Cb 0.09 -3.23 -0.14 0.00 0.06 0.00 0.00 34.95 31.73 2chw s ARG 359 CO 0.03 0.68 1.24 1.63 -2.50 0.00 0.00 175.30 176.38 2chw n LYS 360 N 1.87 1.70 -2.13 5.12 5.02 -1.26 0.03 118.16 128.51 2chw n LYS 360 Ca -0.14 0.60 -0.39 0.00 -2.02 0.00 0.00 58.31 56.36 2chw n LYS 360 Cb 0.52 -2.15 -0.01 0.00 -0.02 0.00 0.00 35.03 33.38 2chw n LYS 360 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2chw s PHE 361 N -0.48 2.89 0.01 2.13 5.36 0.14 -4.75 117.98 123.27 2chw s PHE 361 Ca 0.65 1.46 0.01 0.00 -0.96 0.00 0.00 56.93 58.08 2chw s PHE 361 Cb -0.69 -3.59 -0.01 0.00 -0.34 0.00 0.00 43.02 38.40 2chw s PHE 361 CO 0.55 -1.85 -0.02 -0.98 -1.46 0.00 0.00 175.22 171.45 2chw s ARG 362 N -2.25 0.19 -0.00 10.12 1.70 -1.26 -1.36 118.95 126.09 2chw s ARG 362 Ca 0.57 -0.19 -0.01 0.00 -0.47 0.00 0.00 55.73 55.63 2chw s ARG 362 Cb -0.36 -0.11 -0.00 0.00 -0.57 0.00 0.00 34.95 33.91 2chw s ARG 362 CO 0.46 0.02 0.01 0.54 -1.08 0.00 0.00 175.30 175.25 2chw s VAL 363 N -0.35 0.03 -0.25 4.99 0.11 -0.69 -4.74 120.40 119.50 2chw s VAL 363 Ca -0.03 -0.25 -0.07 0.00 -2.93 0.00 0.00 61.98 58.70 2chw s VAL 363 Cb -0.03 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 2chw s VAL 363 CO -0.00 -0.14 0.07 -0.75 -3.33 0.00 0.00 175.10 170.95 2chw s LYS 364 N -0.40 3.67 -0.58 1.54 2.20 -1.13 -0.10 119.74 124.93 2chw s LYS 364 Ca -0.04 -0.47 -0.19 0.00 -0.36 0.00 0.00 55.97 54.90 2chw s LYS 364 Cb -0.03 -3.33 0.09 0.00 -1.51 0.00 0.00 37.83 33.06 2chw s LYS 364 CO -0.00 -0.17 0.71 0.42 -0.36 0.00 0.00 175.35 175.95 2chw s ILE 365 N 1.58 4.78 0.05 5.43 1.09 -0.58 -2.37 121.20 131.18 2chw s ILE 365 Ca 0.06 -0.83 -0.35 0.00 -1.10 0.00 0.00 60.65 58.43 2chw s ILE 365 Cb -0.15 -4.47 -0.20 0.00 -1.06 0.00 0.00 42.46 36.58 2chw s ILE 365 CO 0.04 -1.09 1.50 0.03 -0.10 0.00 0.00 174.94 175.32 2chw h ARG 366 N 9.18 -1.19 0.00 2.79 2.47 -1.53 -1.79 114.38 124.32 2chw h ARG 366 Ca -0.29 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2chw h ARG 366 Cb 1.09 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 2chw h ARG 366 CO 1.08 -0.79 0.00 0.41 0.56 0.00 0.00 179.97 181.23 2chw n GLY 367 N -1.47 0.38 3.91 0.04 0.00 -1.25 -0.67 105.19 106.13 2chw n GLY 367 Ca -0.16 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 2chw n GLY 367 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2chw s ILE 368 N -2.00 5.02 -0.05 -0.61 -5.25 0.07 -2.08 121.20 116.30 2chw s ILE 368 Ca 0.00 -0.02 -0.03 0.00 -0.99 0.00 0.00 60.65 59.61 2chw s ILE 368 Cb 0.00 -3.78 0.03 0.00 2.95 0.00 0.00 42.46 41.66 2chw s ILE 368 CO 0.00 -0.45 0.13 -1.81 -1.79 0.00 0.00 174.94 171.02 2chw s ASP 369 N -3.48 -0.11 -0.14 4.36 1.11 -1.07 -2.70 116.67 114.65 2chw s ASP 369 Ca 0.44 0.26 -0.02 0.00 0.18 0.00 0.00 52.55 53.41 2chw s ASP 369 Cb -0.10 0.20 0.04 0.00 1.07 0.00 0.00 42.92 44.13 2chw s ASP 369 CO 0.33 -0.10 0.02 -0.51 1.18 0.00 0.00 175.17 176.09 2chw s ILE 370 N 0.67 0.45 0.34 0.77 2.07 -0.63 -0.06 121.20 124.80 2chw s ILE 370 Ca -0.05 -0.23 0.07 0.00 -1.41 0.00 0.00 60.65 59.03 2chw s ILE 370 Cb -0.07 -0.79 0.31 0.00 0.13 0.00 0.00 42.46 42.04 2chw s ILE 370 CO -0.03 0.01 1.85 -0.65 -1.91 0.00 0.00 174.94 174.22 2chw h PRO 371 N 8.29 0.73 -3.14 3.50 0.11 -1.83 -3.38 132.00 136.27 2chw h PRO 371 Ca -0.18 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.58 2chw h PRO 371 Cb 1.12 -0.16 -0.36 0.00 0.11 0.00 0.00 31.00 31.71 2chw h PRO 371 CO 0.30 0.48 -0.66 0.08 -0.21 0.00 0.00 178.00 178.00 2chw s VAL 372 N -5.74 -0.22 -0.42 3.15 1.01 -1.26 -5.03 120.40 111.89 2chw s VAL 372 Ca -0.10 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.30 2chw s VAL 372 Cb 0.22 -0.26 0.19 0.00 0.00 0.00 0.00 36.38 36.54 2chw s VAL 372 CO 0.79 0.15 0.46 -0.11 0.00 0.00 0.00 175.10 176.39 2chw n LEU 373 N 5.28 -0.84 -4.23 3.92 7.94 -1.26 -4.97 117.00 122.84 2chw n LEU 373 Ca -0.05 -4.21 -0.44 0.00 -1.11 0.00 0.00 56.01 50.20 2chw n LEU 373 Cb 0.50 0.61 0.00 0.00 0.53 0.00 0.00 43.42 45.06 2chw n LEU 373 CO 0.05 1.92 1.10 -0.81 -1.11 0.00 0.00 177.39 178.54 2chw n PRO 374 N 2.48 3.77 0.01 1.96 -0.05 -1.26 -4.80 135.00 137.11 2chw n PRO 374 Ca 0.25 -4.29 0.11 0.00 -0.05 0.00 0.00 63.50 59.52 2chw n PRO 374 Cb 0.51 -2.66 -0.09 0.00 -0.05 0.00 0.00 33.50 31.20 2chw n PRO 374 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32 2chw n ARG 375 N 2.94 0.33 -3.65 0.54 0.63 -1.26 -5.03 116.66 111.15 2chw n ARG 375 Ca 0.28 -0.07 -0.02 0.00 -0.92 0.00 0.00 57.85 57.12 2chw n ARG 375 Cb 0.38 -1.54 -0.01 0.00 0.45 0.00 0.00 32.46 31.74 2chw n ARG 375 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2chw s ASN 376 N -3.86 -0.14 0.19 6.15 0.01 -1.26 -5.10 114.94 110.93 2chw s ASN 376 Ca 0.01 -0.20 -0.31 0.00 -0.71 0.00 0.00 52.86 51.64 2chw s ASN 376 Cb 0.15 0.30 -0.11 0.00 0.41 0.00 0.00 41.25 42.00 2chw s ASN 376 CO 0.86 -0.54 1.61 -0.89 -1.51 0.00 0.00 177.10 176.62 2chw s THR 377 N -2.81 2.42 0.33 1.60 2.01 -1.26 -4.92 115.64 113.01 2chw s THR 377 Ca 0.12 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 2chw s THR 377 Cb 0.01 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.22 2chw s THR 377 CO -0.02 0.03 1.35 -0.62 -0.69 0.00 0.00 174.62 174.66 2chw s ASP 378 N 1.06 6.70 0.00 3.53 -1.08 -1.26 -5.02 116.67 120.60 2chw s ASP 378 Ca 0.70 2.74 0.00 0.00 -0.52 0.00 0.00 52.55 55.47 2chw s ASP 378 Cb -0.46 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.36 2chw s ASP 378 CO 0.33 -0.60 0.00 0.18 0.52 0.00 0.00 175.17 175.60 2chw n LEU 379 N 0.94 0.00 -4.19 -1.34 4.77 -1.26 -5.00 117.00 110.93 2chw n LEU 379 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 2chw n LEU 379 Cb 0.41 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 2chw n LEU 379 CO 0.60 0.00 -0.47 -0.89 -1.33 0.00 0.00 177.39 175.30 2chw s THR 380 N 3.35 1.25 -0.09 -5.08 2.01 -1.26 -4.10 115.64 111.72 2chw s THR 380 Ca 0.00 -1.24 -0.04 0.00 0.31 0.00 0.00 61.69 60.72 2chw s THR 380 Cb 0.00 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.40 2chw s THR 380 CO 0.00 -0.09 0.18 -0.69 -0.69 0.00 0.00 174.62 173.33 2chw s VAL 381 N -1.09 -0.19 0.20 3.82 1.01 0.18 -3.86 120.40 120.47 2chw s VAL 381 Ca 0.01 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2chw s VAL 381 Cb -0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2chw s VAL 381 CO 0.02 0.11 0.02 0.72 0.00 0.00 0.00 175.10 175.98 2chw s PHE 382 N 1.84 1.32 -0.12 5.22 -0.71 -1.09 -1.66 117.98 122.78 2chw s PHE 382 Ca -0.02 -1.04 -0.02 0.00 -1.04 0.00 0.00 56.93 54.80 2chw s PHE 382 Cb -0.12 -0.76 -0.03 0.00 -1.21 0.00 0.00 43.02 40.91 2chw s PHE 382 CO -0.07 -0.22 -0.04 0.08 -1.34 0.00 0.00 175.22 173.63 2chw s VAL 383 N -3.65 3.90 -0.17 -2.49 1.01 -1.26 -2.52 120.40 115.22 2chw s VAL 383 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2chw s VAL 383 Cb 0.06 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2chw s VAL 383 CO 0.07 0.54 -0.17 -0.70 0.00 0.00 0.00 175.10 174.84 2chw s GLU 384 N -0.14 3.10 -0.33 2.72 2.12 0.18 -0.53 118.70 125.82 2chw s GLU 384 Ca 0.03 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.50 2chw s GLU 384 Cb -0.13 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.67 2chw s GLU 384 CO 0.02 -0.12 0.10 0.00 -0.54 0.00 0.00 175.26 174.73 2chw s ALA 385 N 1.12 3.06 -0.17 6.30 0.00 -0.55 -1.46 121.76 130.06 2chw s ALA 385 Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 2chw s ALA 385 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2chw s ALA 385 CO -0.07 -1.25 0.11 -0.80 0.00 0.00 0.00 175.76 173.75 2chw s ASN 386 N 1.43 6.06 -0.39 0.00 0.01 0.31 -2.51 114.94 119.85 2chw s ASN 386 Ca -0.01 0.26 -0.22 0.00 -0.71 0.00 0.00 52.86 52.18 2chw s ASN 386 Cb -0.19 -2.02 0.01 0.00 0.41 0.00 0.00 41.25 39.47 2chw s ASN 386 CO 0.03 0.26 0.72 -0.63 -1.51 0.00 0.00 177.10 175.97 2chw s ILE 387 N -0.10 4.78 -0.06 0.60 1.01 0.62 -0.58 121.20 127.46 2chw s ILE 387 Ca 0.09 0.62 0.03 0.00 0.00 0.00 0.00 60.65 61.40 2chw s ILE 387 Cb -0.12 -4.19 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2chw s ILE 387 CO 0.00 -0.47 -0.16 -1.10 0.00 0.00 0.00 174.94 173.22 2chw s GLN 388 N 2.98 2.62 -0.11 2.79 -0.21 0.48 0.17 119.66 128.39 2chw s GLN 388 Ca 0.28 -0.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.92 2chw s GLN 388 Cb -0.13 -2.38 0.04 0.00 1.00 0.00 0.00 33.01 31.53 2chw s GLN 388 CO 0.18 0.54 -0.00 -1.58 -2.12 0.00 0.00 175.29 172.30 2chw s HIS 389 N -0.51 0.89 -1.50 0.91 2.46 0.08 -0.41 115.29 117.20 2chw s HIS 389 Ca 0.07 -0.44 -0.11 0.00 0.47 0.00 0.00 55.06 55.05 2chw s HIS 389 Cb -0.12 -0.93 0.07 0.00 -0.13 0.00 0.00 32.58 31.48 2chw s HIS 389 CO 0.01 -0.43 0.90 0.41 -2.47 0.00 0.00 174.74 173.17 2chw n GLY 390 N 5.09 -0.45 3.01 1.59 0.00 -1.26 -0.81 105.19 112.36 2chw n GLY 390 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2chw n GLY 390 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2chw n GLN 391 N -4.59 -0.38 -3.00 1.61 7.27 -1.25 -4.25 117.38 112.79 2chw n GLN 391 Ca -0.03 0.09 -0.41 0.00 0.07 0.00 0.00 57.00 56.73 2chw n GLN 391 Cb 0.56 -3.60 -0.05 0.00 2.41 0.00 0.00 30.24 29.55 2chw n GLN 391 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2chw s GLN 392 N -0.63 4.20 -0.71 3.69 0.74 0.01 -5.03 119.66 121.92 2chw s GLN 392 Ca 0.00 0.77 -0.27 0.00 0.05 0.00 0.00 55.36 55.91 2chw s GLN 392 Cb 0.00 -3.61 0.02 0.00 1.10 0.00 0.00 33.01 30.52 2chw s GLN 392 CO 0.00 -0.38 1.35 0.14 -0.55 0.00 0.00 175.29 175.85 2chw s VAL 393 N 2.37 3.69 0.33 1.34 -7.23 -1.26 -0.75 120.40 118.90 2chw s VAL 393 Ca 0.32 0.42 0.09 0.00 -1.81 0.00 0.00 61.98 60.99 2chw s VAL 393 Cb -0.16 -4.77 0.07 0.00 0.56 0.00 0.00 36.38 32.08 2chw s VAL 393 CO 0.09 -1.69 1.77 -0.07 -0.31 0.00 0.00 175.10 174.89 2chw h LEU 394 N 13.40 0.19 -7.00 1.32 3.38 -0.63 -3.47 115.31 122.50 2chw h LEU 394 Ca -0.28 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2chw h LEU 394 Cb 1.07 -0.05 -0.21 0.00 0.09 0.00 0.00 40.66 41.55 2chw h LEU 394 CO 1.26 0.53 0.33 0.00 0.09 0.00 0.00 178.44 180.65 2chw s GLN 396 N -0.86 0.20 0.13 0.00 0.74 -1.26 -0.28 119.66 118.33 2chw s GLN 396 Ca -0.05 0.57 0.09 0.00 0.05 0.00 0.00 55.36 56.02 2chw s GLN 396 Cb -0.01 -0.43 -0.04 0.00 1.10 0.00 0.00 33.01 33.63 2chw s GLN 396 CO 0.05 -0.45 -0.22 1.03 -0.55 0.00 0.00 175.29 175.15 2chw s ARG 397 N 2.42 1.26 0.44 1.67 1.81 -1.05 -5.03 118.95 120.48 2chw s ARG 397 Ca 0.04 -1.29 0.05 0.00 -1.72 0.00 0.00 55.73 52.81 2chw s ARG 397 Cb -0.14 -1.56 -0.06 0.00 -0.45 0.00 0.00 34.95 32.75 2chw s ARG 397 CO -0.11 0.35 0.02 1.03 -0.68 0.00 0.00 175.30 175.92 2chw s ARG 398 N -2.19 2.04 0.51 3.54 0.52 -1.26 -1.49 118.95 120.64 2chw s ARG 398 Ca 0.12 -2.18 0.08 0.00 -0.52 0.00 0.00 55.73 53.22 2chw s ARG 398 Cb -0.09 -1.63 0.04 0.00 0.52 0.00 0.00 34.95 33.80 2chw s ARG 398 CO 0.06 -0.15 0.59 0.95 0.02 0.00 0.00 175.30 176.77 2chw s THR 399 N -2.76 2.25 0.36 0.02 -4.23 0.31 -4.98 115.64 106.61 2chw s THR 399 Ca 0.27 -1.18 -0.19 0.00 -1.18 0.00 0.00 61.69 59.41 2chw s THR 399 Cb 0.07 -2.43 -0.10 0.00 1.34 0.00 0.00 72.50 71.38 2chw s THR 399 CO 0.14 0.00 0.84 -0.94 -0.54 0.00 0.00 174.62 174.12 2chw s SER 400 N -4.43 6.90 -0.61 3.99 1.04 -1.26 -4.60 113.70 114.73 2chw s SER 400 Ca 0.52 1.50 -0.28 0.00 0.48 0.00 0.00 55.95 58.17 2chw s SER 400 Cb -0.05 -2.46 0.02 0.00 0.10 0.00 0.00 66.02 63.63 2chw s SER 400 CO 0.32 -0.24 1.32 -2.16 0.98 0.00 0.00 173.24 173.46 2chw s PRO 401 N -2.93 3.32 0.33 4.02 0.04 -1.26 -4.60 135.00 133.92 2chw s PRO 401 Ca 0.56 0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.86 2chw s PRO 401 Cb -0.11 -4.11 -0.02 0.00 0.04 0.00 0.00 34.50 30.30 2chw s PRO 401 CO 0.16 -1.93 0.49 0.15 0.04 0.00 0.00 177.00 175.91 2chw s LYS 402 N 5.44 3.29 1.16 4.56 1.02 -0.66 -4.85 119.74 129.69 2chw s LYS 402 Ca 0.45 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.63 2chw s LYS 402 Cb -0.09 -2.76 0.28 0.00 -0.52 0.00 0.00 37.83 34.74 2chw s LYS 402 CO 0.22 0.13 1.03 -2.14 -0.92 0.00 0.00 175.35 173.68 2chw s PRO 403 N -4.22 -0.85 -0.45 -1.68 0.02 -1.26 0.49 135.00 127.07 2chw s PRO 403 Ca 0.41 0.75 -0.11 0.00 0.02 0.00 0.00 61.00 62.08 2chw s PRO 403 Cb -0.09 -1.57 0.09 0.00 0.02 0.00 0.00 34.50 32.95 2chw s PRO 403 CO 0.33 -3.65 0.31 0.12 -0.33 0.00 0.00 177.00 173.78 2chw s PHE 404 N -2.53 3.34 0.29 6.54 5.36 -1.26 -4.61 117.98 125.10 2chw s PHE 404 Ca 0.68 -1.50 0.09 0.00 -0.96 0.00 0.00 56.93 55.24 2chw s PHE 404 Cb -0.24 -3.16 -0.04 0.00 -0.34 0.00 0.00 43.02 39.24 2chw s PHE 404 CO 0.64 -0.88 0.05 0.95 -1.46 0.00 0.00 175.22 174.52 2chw s THR 405 N 1.45 3.41 -1.06 0.12 -4.23 -1.26 -4.95 115.64 109.14 2chw s THR 405 Ca 0.04 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2chw s THR 405 Cb -0.24 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2chw s THR 405 CO 0.02 -0.32 0.87 -1.84 -0.54 0.00 0.00 174.62 172.81 2chw n GLU 406 N -0.99 0.00 -3.65 3.99 0.00 -1.26 -4.19 120.64 114.53 2chw n GLU 406 Ca -0.06 0.38 -0.13 0.00 0.00 0.00 0.00 57.16 57.35 2chw n GLU 406 Cb 0.60 -1.54 -0.13 0.00 0.00 0.00 0.00 31.44 30.37 2chw n GLU 406 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2chw s GLU 407 N -2.74 0.16 -0.04 3.44 2.12 -1.26 -1.61 118.70 118.77 2chw s GLU 407 Ca 0.00 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.09 2chw s GLU 407 Cb 0.00 -0.06 0.01 0.00 0.26 0.00 0.00 34.13 34.34 2chw s GLU 407 CO 0.00 -0.30 -0.09 0.08 -0.54 0.00 0.00 175.26 174.41 2chw s VAL 408 N 2.43 0.82 0.21 3.70 1.01 -1.10 -5.02 120.40 122.45 2chw s VAL 408 Ca 0.01 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 61.77 2chw s VAL 408 Cb -0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 2chw s VAL 408 CO -0.09 0.27 -0.21 -0.76 0.00 0.00 0.00 175.10 174.31 2chw s LEU 409 N 0.49 2.49 0.00 3.92 1.43 -1.26 -0.75 118.68 125.00 2chw s LEU 409 Ca -0.08 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 2chw s LEU 409 Cb -0.12 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.04 2chw s LEU 409 CO 0.01 0.06 0.00 0.79 0.23 0.00 0.00 176.35 177.44 2chw n TRP 410 N -0.02 0.00 -3.59 0.29 8.01 0.15 -4.98 117.44 117.31 2chw n TRP 410 Ca -0.10 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.84 2chw n TRP 410 Cb 0.58 0.31 0.05 0.00 -2.01 0.00 0.00 31.31 30.23 2chw n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2chw n ASN 411 N -2.50 -4.55 -4.30 -0.99 5.15 -0.68 -5.03 115.26 102.35 2chw n ASN 411 Ca 0.00 -0.90 -0.28 0.00 -0.60 0.00 0.00 54.58 52.80 2chw n ASN 411 Cb 0.13 -3.98 -0.15 0.00 -0.53 0.00 0.00 39.78 35.25 2chw n ASN 411 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2chw s VAL 412 N -3.51 1.95 -0.16 3.44 -7.23 -1.18 -4.98 120.40 108.74 2chw s VAL 412 Ca 0.35 -1.28 -0.28 0.00 -1.81 0.00 0.00 61.98 58.96 2chw s VAL 412 Cb -0.10 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 2chw s VAL 412 CO 0.82 0.33 0.97 0.26 -0.31 0.00 0.00 175.10 177.17 2chw s TRP 413 N -0.77 3.44 -0.27 2.82 0.52 -1.26 -1.53 118.94 121.89 2chw s TRP 413 Ca 0.10 1.46 -0.16 0.00 0.02 0.00 0.00 56.10 57.52 2chw s TRP 413 Cb -0.09 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 2chw s TRP 413 CO 0.02 -0.30 0.44 -0.51 0.02 0.00 0.00 176.95 176.62 2chw s LEU 414 N 2.36 4.05 -0.25 2.99 1.43 0.85 -4.94 118.68 125.18 2chw s LEU 414 Ca 0.44 0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.73 2chw s LEU 414 Cb -0.17 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2chw s LEU 414 CO 0.13 -0.23 0.59 -1.61 0.23 0.00 0.00 176.35 175.46 2chw s GLU 415 N 2.18 4.10 0.31 1.70 2.02 -1.26 -1.71 118.70 126.04 2chw s GLU 415 Ca 0.18 0.47 -0.05 0.00 0.02 0.00 0.00 54.97 55.59 2chw s GLU 415 Cb -0.16 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.38 2chw s GLU 415 CO 0.10 -0.38 0.58 -0.06 0.02 0.00 0.00 175.26 175.52 2chw s PHE 416 N 2.39 3.48 0.19 1.61 0.40 -0.46 -4.90 117.98 120.68 2chw s PHE 416 Ca 0.25 0.66 -0.06 0.00 -0.60 0.00 0.00 56.93 57.17 2chw s PHE 416 Cb -0.16 -2.12 0.10 0.00 0.51 0.00 0.00 43.02 41.35 2chw s PHE 416 CO 0.09 0.12 1.56 0.66 0.70 0.00 0.00 175.22 178.35 2chw h SER 417 N 1.49 0.83 -3.31 1.36 4.64 -1.97 -3.38 113.55 113.21 2chw h SER 417 Ca -0.48 -0.35 -0.55 0.00 -0.47 0.00 0.00 61.79 59.95 2chw h SER 417 Cb 1.19 -0.23 0.09 0.00 -0.31 0.00 0.00 62.40 63.14 2chw h SER 417 CO 0.65 1.09 0.76 -0.38 -0.87 0.00 0.00 176.83 178.08 2chw n ILE 418 N -4.07 1.34 -1.76 0.95 -0.00 -1.26 -4.82 119.36 109.75 2chw n ILE 418 Ca -0.01 -0.34 -0.29 0.00 -0.00 0.00 0.00 62.75 62.11 2chw n ILE 418 Cb 0.50 -1.83 0.09 0.00 -0.00 0.00 0.00 39.64 38.39 2chw n ILE 418 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 2chw s LYS 419 N -1.00 2.09 0.09 0.38 1.02 -1.26 -0.69 119.74 120.36 2chw s LYS 419 Ca 0.61 0.35 -0.13 0.00 0.02 0.00 0.00 55.97 56.82 2chw s LYS 419 Cb -0.53 -1.94 -0.19 0.00 -0.52 0.00 0.00 37.83 34.65 2chw s LYS 419 CO 0.54 -1.56 1.24 0.82 -0.92 0.00 0.00 175.35 175.47 2chw h ILE 420 N -1.03 1.28 0.00 2.17 1.08 -0.04 -2.99 117.51 117.97 2chw h ILE 420 Ca -0.47 -2.14 0.00 0.00 -0.39 0.00 0.00 64.86 61.86 2chw h ILE 420 Cb 1.30 2.22 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 2chw h ILE 420 CO 0.63 0.67 0.00 0.50 -0.69 0.00 0.00 178.15 179.26 2chw h LYS 421 N 0.45 0.00 0.00 2.37 1.63 -1.46 -2.85 116.57 116.71 2chw h LYS 421 Ca -0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2chw h LYS 421 Cb 1.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.21 2chw h LYS 421 CO 0.19 0.00 -0.97 -0.25 -3.45 0.00 0.00 179.45 174.97 2chw n ASP 422 N -2.67 0.63 -4.69 4.20 8.00 -1.13 -4.71 116.55 116.17 2chw n ASP 422 Ca -0.01 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 2chw n ASP 422 Cb 0.12 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 2chw n ASP 422 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2chw s LEU 423 N -4.05 4.38 0.13 0.64 1.43 -1.08 -4.16 118.68 115.98 2chw s LEU 423 Ca 0.04 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 2chw s LEU 423 Cb 0.14 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.73 2chw s LEU 423 CO 0.79 -0.95 0.49 -2.16 0.23 0.00 0.00 176.35 174.75 2chw s PRO 424 N 2.48 3.86 0.44 1.29 0.04 -1.26 -5.03 135.00 136.81 2chw s PRO 424 Ca 0.77 0.33 -0.23 0.00 0.04 0.00 0.00 61.00 61.91 2chw s PRO 424 Cb -0.44 -2.92 -0.11 0.00 0.04 0.00 0.00 34.50 31.07 2chw s PRO 424 CO 0.34 0.49 0.77 1.17 0.04 0.00 0.00 177.00 179.81 2chw n LYS 425 N 0.70 0.90 -0.73 4.56 4.81 -1.26 -0.96 118.16 126.19 2chw n LYS 425 Ca -0.05 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2chw n LYS 425 Cb 0.52 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.80 2chw n LYS 425 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2chw n GLY 426 N 1.51 1.18 3.71 3.14 0.00 -1.26 -4.85 105.19 108.61 2chw n GLY 426 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2chw n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chw n ALA 427 N 0.83 1.60 -2.93 4.61 0.00 -0.13 -4.83 120.51 119.65 2chw n ALA 427 Ca 0.00 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.48 2chw n ALA 427 Cb 0.00 -2.32 -0.12 0.00 0.00 0.00 0.00 19.45 17.01 2chw n ALA 427 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2chw s LEU 428 N -0.64 3.31 -0.28 0.00 1.43 0.45 -1.78 118.68 121.17 2chw s LEU 428 Ca 0.61 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 2chw s LEU 428 Cb -0.57 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2chw s LEU 428 CO 0.55 0.18 1.08 -0.22 0.23 0.00 0.00 176.35 178.17 2chw s LEU 429 N 0.33 4.01 -0.20 1.79 2.96 0.11 -0.39 118.68 127.30 2chw s LEU 429 Ca -0.03 1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 55.09 2chw s LEU 429 Cb -0.14 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.02 2chw s LEU 429 CO 0.03 -0.80 -0.13 0.21 -1.32 0.00 0.00 176.35 174.33 2chw s ASN 430 N 1.56 3.66 -0.11 3.68 3.84 0.25 0.39 114.94 128.21 2chw s ASN 430 Ca 0.46 -0.53 0.01 0.00 0.21 0.00 0.00 52.86 53.01 2chw s ASN 430 Cb -0.14 -1.60 -0.01 0.00 -0.55 0.00 0.00 41.25 38.95 2chw s ASN 430 CO 0.12 -0.01 -0.15 -0.76 -2.79 0.00 0.00 177.10 173.51 2chw s LEU 431 N 1.36 2.61 -0.03 3.21 1.43 0.89 -0.53 118.68 127.62 2chw s LEU 431 Ca 0.05 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2chw s LEU 431 Cb -0.14 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.53 2chw s LEU 431 CO -0.08 0.20 0.13 -1.10 0.23 0.00 0.00 176.35 175.72 2chw s GLN 432 N 0.15 0.26 -0.20 1.70 -0.21 -0.54 0.40 119.66 121.22 2chw s GLN 432 Ca -0.08 -0.03 0.01 0.00 0.02 0.00 0.00 55.36 55.29 2chw s GLN 432 Cb -0.15 0.11 0.03 0.00 1.00 0.00 0.00 33.01 34.00 2chw s GLN 432 CO 0.05 -0.05 -0.17 0.42 -2.12 0.00 0.00 175.29 173.42 2chw s ILE 433 N -0.43 2.14 0.06 1.08 1.01 -0.16 -0.65 121.20 124.25 2chw s ILE 433 Ca -0.05 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.53 2chw s ILE 433 Cb -0.03 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2chw s ILE 433 CO 0.01 0.39 0.07 -0.31 0.00 0.00 0.00 174.94 175.10 2chw s TYR 434 N 1.25 3.19 0.00 3.97 2.02 -1.05 0.97 117.35 127.70 2chw s TYR 434 Ca 0.02 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 2chw s TYR 434 Cb -0.15 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 2chw s TYR 434 CO -0.11 0.52 0.00 0.00 -1.57 0.00 0.00 175.55 174.39 2chw s LEU 460 N -0.07 4.30 0.00 0.00 2.96 -1.26 -4.38 118.68 120.23 2chw s LEU 460 Ca 0.00 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 2chw s LEU 460 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2chw s LEU 460 CO 0.00 -0.62 0.00 -0.11 -1.32 0.00 0.00 176.35 174.30 2chw n LEU 461 N 5.08 0.45 -3.77 -0.68 0.00 0.27 -4.82 117.00 113.53 2chw n LEU 461 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.99 2chw n LEU 461 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.78 2chw n LEU 461 CO 0.56 0.07 -0.01 -0.31 0.00 0.00 0.00 177.39 177.71 2chw s TYR 462 N -1.69 -0.20 0.04 1.96 2.02 -1.12 -2.24 117.35 116.12 2chw s TYR 462 Ca 0.00 0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 57.08 2chw s TYR 462 Cb 0.00 0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.62 2chw s TYR 462 CO 0.00 -0.31 -0.03 1.52 -1.57 0.00 0.00 175.55 175.15 2chw s TYR 463 N -0.90 0.42 0.09 2.71 -0.85 -0.31 -0.99 117.35 117.52 2chw s TYR 463 Ca -0.10 -0.84 -0.20 0.00 -0.52 0.00 0.00 57.07 55.42 2chw s TYR 463 Cb -0.05 -0.31 0.05 0.00 0.38 0.00 0.00 41.96 42.03 2chw s TYR 463 CO 0.03 -0.29 0.48 0.54 -1.52 0.00 0.00 175.55 174.78 2chw s VAL 464 N -2.88 0.04 -0.01 -3.49 0.11 0.16 -1.66 120.40 112.68 2chw s VAL 464 Ca -0.03 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 58.70 2chw s VAL 464 Cb 0.00 -1.05 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2chw s VAL 464 CO -0.06 -0.19 -0.07 0.20 -3.33 0.00 0.00 175.10 171.64 2chw s ASN 465 N -2.42 0.88 -0.07 3.54 0.01 -1.26 -0.08 114.94 115.55 2chw s ASN 465 Ca -0.01 -0.14 0.01 0.00 -0.71 0.00 0.00 52.86 52.02 2chw s ASN 465 Cb 0.00 -0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.56 2chw s ASN 465 CO -0.08 0.09 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.30 2chw s LEU 466 N -0.12 1.42 -0.09 0.60 2.96 0.16 -4.59 118.68 119.02 2chw s LEU 466 Ca 0.02 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.40 2chw s LEU 466 Cb -0.03 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 2chw s LEU 466 CO -0.00 -0.03 1.66 -0.76 -1.32 0.00 0.00 176.35 175.90 2chw s LEU 467 N 0.97 4.22 0.14 -0.68 1.43 -1.26 0.09 118.68 123.59 2chw s LEU 467 Ca -0.09 2.12 -0.15 0.00 -1.03 0.00 0.00 54.13 54.98 2chw s LEU 467 Cb -0.15 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2chw s LEU 467 CO 0.00 -1.01 1.64 -0.07 0.23 0.00 0.00 176.35 177.14 2chw h LEU 468 N 10.61 0.66 -8.82 1.79 3.38 -1.70 -3.42 115.31 117.82 2chw h LEU 468 Ca -0.38 -0.23 -0.64 0.00 0.09 0.00 0.00 57.88 56.72 2chw h LEU 468 Cb 1.17 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 2chw h LEU 468 CO 0.96 0.72 -0.68 -0.63 0.09 0.00 0.00 178.44 178.90 2chw s ILE 469 N -5.31 3.77 0.48 1.22 1.01 -1.26 -0.89 121.20 120.21 2chw s ILE 469 Ca -0.13 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 2chw s ILE 469 Cb 0.11 -2.64 0.11 0.00 0.01 0.00 0.00 42.46 40.04 2chw s ILE 469 CO 0.78 0.50 0.65 -0.90 0.00 0.00 0.00 174.94 175.97 2chw n ASP 470 N 3.51 0.16 0.00 3.58 5.75 -0.58 -4.46 116.55 124.51 2chw n ASP 470 Ca -0.17 -1.30 0.11 0.00 -0.01 0.00 0.00 54.79 53.42 2chw n ASP 470 Cb 0.52 -0.49 0.61 0.00 -1.03 0.00 0.00 41.12 40.74 2chw n ASP 470 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2chw n HIS 471 N -2.80 0.00 -0.94 2.11 -0.00 -1.26 -2.43 115.22 109.90 2chw n HIS 471 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.89 2chw n HIS 471 Cb 0.30 -0.21 0.25 0.00 -0.00 0.00 0.00 29.99 30.32 2chw n HIS 471 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2chw n ARG 472 N -1.21 2.84 -1.58 -1.40 1.74 -1.26 -4.96 116.66 110.83 2chw n ARG 472 Ca 0.13 -2.78 -0.17 0.00 -0.77 0.00 0.00 57.85 54.26 2chw n ARG 472 Cb 0.15 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.74 2chw n ARG 472 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2chw n PHE 473 N -0.49 -0.08 -3.50 -1.55 3.01 -1.02 -4.98 117.46 108.85 2chw n PHE 473 Ca 0.20 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.29 2chw n PHE 473 Cb 0.85 -3.04 -0.06 0.00 -0.01 0.00 0.00 39.48 37.22 2chw n PHE 473 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2chw s LEU 474 N -4.07 4.38 0.01 4.37 1.43 -1.26 -3.93 118.68 119.61 2chw s LEU 474 Ca 0.00 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 2chw s LEU 474 Cb 0.00 -2.53 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 2chw s LEU 474 CO 0.00 0.22 1.76 -0.22 0.23 0.00 0.00 176.35 178.33 2chw s LEU 475 N -0.39 4.37 -0.28 1.79 2.96 -1.16 -1.52 118.68 124.44 2chw s LEU 475 Ca 0.22 2.45 -0.29 0.00 -0.22 0.00 0.00 54.13 56.29 2chw s LEU 475 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2chw s LEU 475 CO 0.10 -0.96 1.57 -0.60 -1.32 0.00 0.00 176.35 175.14 2chw s ARG 476 N 3.78 3.69 -0.02 1.98 3.52 -0.06 -4.97 118.95 126.87 2chw s ARG 476 Ca 0.78 1.45 0.07 0.00 -0.13 0.00 0.00 55.73 57.90 2chw s ARG 476 Cb -0.38 -4.04 -0.02 0.00 -1.56 0.00 0.00 34.95 28.94 2chw s ARG 476 CO 0.34 -1.42 -0.23 0.50 -0.81 0.00 0.00 175.30 173.69 2chw s ARG 477 N 4.82 2.20 0.00 5.12 3.52 -1.26 -4.85 118.95 128.50 2chw s ARG 477 Ca 0.69 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 2chw s ARG 477 Cb -0.21 -2.12 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 2chw s ARG 477 CO 0.30 0.57 0.00 0.41 -0.81 0.00 0.00 175.30 175.77 2chw n GLY 478 N 2.38 0.60 3.78 8.12 0.00 0.63 -4.89 105.19 115.81 2chw n GLY 478 Ca -0.16 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.25 2chw n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2chw s GLU 479 N -0.37 4.23 -0.06 1.61 0.41 -1.26 0.09 118.70 123.36 2chw s GLU 479 Ca 0.00 0.66 -0.04 0.00 -0.41 0.00 0.00 54.97 55.18 2chw s GLU 479 Cb 0.00 -3.31 0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2chw s GLU 479 CO 0.00 0.46 0.14 0.71 -0.49 0.00 0.00 175.26 176.09 2chw s TYR 480 N -0.47 -0.16 -0.32 1.61 1.51 -0.17 -4.99 117.35 114.36 2chw s TYR 480 Ca 0.29 0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.81 2chw s TYR 480 Cb -0.18 -0.03 0.10 0.00 -0.11 0.00 0.00 41.96 41.74 2chw s TYR 480 CO 0.16 -0.13 0.05 0.08 -1.11 0.00 0.00 175.55 174.61 2chw s VAL 481 N 0.73 1.83 -0.33 0.71 1.01 -1.25 -1.12 120.40 121.97 2chw s VAL 481 Ca -0.05 -1.99 -0.09 0.00 0.00 0.00 0.00 61.98 59.85 2chw s VAL 481 Cb -0.07 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.99 2chw s VAL 481 CO -0.04 -0.57 0.14 -0.76 0.00 0.00 0.00 175.10 173.87 2chw s LEU 482 N 1.14 4.23 -0.03 3.92 1.43 -0.22 -4.91 118.68 124.25 2chw s LEU 482 Ca 0.09 -0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 52.09 2chw s LEU 482 Cb -0.19 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2chw s LEU 482 CO -0.13 -0.27 1.14 -1.00 0.23 0.00 0.00 176.35 176.33 2chw s HIS 483 N 1.53 3.36 0.05 0.29 3.76 -1.26 -2.54 115.29 120.48 2chw s HIS 483 Ca 0.02 1.36 0.03 0.00 -0.15 0.00 0.00 55.06 56.33 2chw s HIS 483 Cb -0.18 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.13 2chw s HIS 483 CO 0.05 -0.96 0.00 -1.64 -0.85 0.00 0.00 174.74 171.34 2chw s MET 484 N 1.73 2.66 0.36 1.40 1.00 0.11 -0.58 119.30 125.99 2chw s MET 484 Ca 0.55 -0.74 -0.14 0.00 0.00 0.00 0.00 55.69 55.35 2chw s MET 484 Cb -0.24 -2.60 -0.08 0.00 0.00 0.00 0.00 34.83 31.90 2chw s MET 484 CO 0.24 0.57 0.77 -1.58 0.00 0.00 0.00 175.02 175.03 2chw s TRP 485 N -1.22 3.39 -0.11 -0.03 0.52 -0.66 -4.25 118.94 116.57 2chw s TRP 485 Ca 0.23 1.22 -0.04 0.00 0.02 0.00 0.00 56.10 57.53 2chw s TRP 485 Cb -0.12 -2.55 -0.04 0.00 -1.15 0.00 0.00 33.47 29.62 2chw s TRP 485 CO 0.15 0.01 0.05 -1.14 0.02 0.00 0.00 176.95 176.04 2chw s GLN 486 N -3.26 3.31 0.11 4.98 0.74 -1.26 -1.16 119.66 123.12 2chw s GLN 486 Ca 0.54 -0.32 -0.30 0.00 0.05 0.00 0.00 55.36 55.33 2chw s GLN 486 Cb -0.10 -2.98 -0.06 0.00 1.10 0.00 0.00 33.01 30.96 2chw s GLN 486 CO 0.21 0.64 1.13 0.42 -0.55 0.00 0.00 175.29 177.13 2chw s ILE 487 N -0.67 4.05 -0.29 -2.34 1.09 -0.95 -4.98 121.20 117.12 2chw s ILE 487 Ca 0.11 1.60 -0.36 0.00 -1.10 0.00 0.00 60.65 60.90 2chw s ILE 487 Cb -0.12 -4.02 -0.12 0.00 -1.06 0.00 0.00 42.46 37.14 2chw s ILE 487 CO 0.02 0.19 2.04 -0.24 -0.10 0.00 0.00 174.94 176.85 2chw n SER 488 N 3.20 2.42 -3.37 3.58 2.88 -1.26 -4.98 113.62 116.09 2chw n SER 488 Ca 0.06 0.66 -0.32 0.00 -1.33 0.00 0.00 58.87 57.94 2chw n SER 488 Cb 0.47 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.65 2chw n SER 488 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2chw n GLY 489 N 5.65 3.18 0.59 0.46 0.00 -1.26 -5.19 105.19 108.63 2chw n GLY 489 Ca 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2chw n GLY 489 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2chw n PHE 497 N 5.26 0.00 -3.64 1.61 3.72 -1.26 -5.29 117.46 117.86 2chw n PHE 497 Ca 0.50 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.81 2chw n PHE 497 Cb 0.24 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 2chw n PHE 497 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2chw s ASN 498 N 0.00 -0.88 0.61 4.37 3.84 -1.26 -4.03 114.94 117.59 2chw s ASN 498 Ca 0.00 1.50 0.38 0.00 0.21 0.00 0.00 52.86 54.95 2chw s ASN 498 Cb 0.00 1.42 2.02 0.00 -0.55 0.00 0.00 41.25 44.13 2chw s ASN 498 CO 0.00 -0.24 2.25 0.00 -2.79 0.00 0.00 177.10 176.32 2chw h ALA 499 N 6.34 1.13 -0.51 1.71 0.00 -1.31 -2.39 119.26 124.24 2chw h ALA 499 Ca -0.30 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2chw h ALA 499 Cb 1.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2chw h ALA 499 CO 0.12 0.02 -0.17 -0.44 0.00 0.00 0.00 179.25 178.79 2chw h ASP 500 N 0.00 1.04 0.00 0.00 3.32 -1.96 -2.55 116.42 116.27 2chw h ASP 500 Ca -0.00 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2chw h ASP 500 Cb 0.13 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2chw h ASP 500 CO 0.00 1.18 0.13 0.29 -1.72 0.00 0.00 179.24 179.12 2chw n LYS 501 N -4.13 0.00 -0.00 3.56 5.02 -0.90 -1.76 118.16 119.95 2chw n LYS 501 Ca 0.01 0.07 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 2chw n LYS 501 Cb 0.44 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 2chw n LYS 501 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2chw n LEU 502 N -0.88 0.15 -4.77 -0.35 4.77 -0.96 -4.98 117.00 109.98 2chw n LEU 502 Ca 0.00 -0.22 -0.37 0.00 -0.03 0.00 0.00 56.01 55.38 2chw n LEU 502 Cb 0.13 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2chw n LEU 502 CO 0.00 0.04 0.85 0.28 -1.33 0.00 0.00 177.39 177.23 2chw s THR 503 N -2.14 3.00 -1.84 -5.08 -1.32 -0.72 -4.90 115.64 102.64 2chw s THR 503 Ca -0.00 0.77 0.30 0.00 -1.21 0.00 0.00 61.69 61.55 2chw s THR 503 Cb 0.05 -3.40 0.60 0.00 -1.51 0.00 0.00 72.50 68.24 2chw s THR 503 CO 0.30 0.01 1.96 -1.54 -2.21 0.00 0.00 174.62 173.14 2chw n SER 504 N -0.42 0.44 -4.72 8.08 3.41 -1.26 -4.26 113.62 114.88 2chw n SER 504 Ca 0.07 -0.77 -0.41 0.00 -0.26 0.00 0.00 58.87 57.49 2chw n SER 504 Cb 0.47 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 2chw n SER 504 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2chw s ALA 505 N -2.29 3.22 0.31 7.33 0.00 -1.26 -4.80 121.76 124.27 2chw s ALA 505 Ca 0.35 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.70 2chw s ALA 505 Cb 0.21 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 2chw s ALA 505 CO 0.43 -0.09 0.73 0.95 0.00 0.00 0.00 175.76 177.78 2chw s THR 506 N 0.34 4.67 0.08 0.00 -4.23 -1.26 -4.82 115.64 110.42 2chw s THR 506 Ca 0.48 0.97 -0.31 0.00 -1.18 0.00 0.00 61.69 61.65 2chw s THR 506 Cb -0.22 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 69.89 2chw s THR 506 CO 0.29 -0.15 1.89 -3.20 -0.54 0.00 0.00 174.62 172.90 2chw n ASN 507 N -0.28 4.04 0.17 3.99 2.85 0.25 -4.92 115.26 121.36 2chw n ASN 507 Ca 0.03 0.96 0.05 0.00 -0.11 0.00 0.00 54.58 55.51 2chw n ASN 507 Cb 0.53 -1.52 0.14 0.00 1.24 0.00 0.00 39.78 40.17 2chw n ASN 507 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2chw h PRO 508 N 9.29 0.00 -5.18 1.20 0.13 -1.93 -3.39 132.00 132.12 2chw h PRO 508 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 2chw h PRO 508 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2chw h PRO 508 CO 0.94 0.40 0.81 -3.47 -0.23 0.00 0.00 178.00 176.45 2chw n ASP 509 N -3.28 2.15 0.00 1.44 -0.08 -1.26 -4.74 116.55 110.78 2chw n ASP 509 Ca 0.02 -2.60 0.08 0.00 -1.51 0.00 0.00 54.79 50.78 2chw n ASP 509 Cb 0.64 -1.56 0.45 0.00 2.34 0.00 0.00 41.12 42.99 2chw n ASP 509 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2chw n LYS 510 N 8.07 0.32 -0.08 -0.67 5.02 -1.26 -3.00 118.16 126.56 2chw n LYS 510 Ca 0.44 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.72 2chw n LYS 510 Cb 0.46 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 2chw n LYS 510 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2chw h GLU 511 N 0.00 0.00 0.00 1.97 4.81 -1.96 -3.39 114.58 116.01 2chw h GLU 511 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2chw h GLU 511 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2chw h GLU 511 CO 0.00 0.44 -0.79 0.09 -0.73 0.00 0.00 179.01 178.02 2chw n ASN 512 N -4.58 0.69 -4.75 1.04 3.02 -1.25 -4.67 115.26 104.76 2chw n ASN 512 Ca -0.14 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.07 2chw n ASN 512 Cb 0.38 0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.87 2chw n ASN 512 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2chw s SER 513 N -4.31 7.61 0.44 6.41 1.04 -1.16 -4.68 113.70 119.05 2chw s SER 513 Ca 0.05 1.91 -0.25 0.00 0.48 0.00 0.00 55.95 58.13 2chw s SER 513 Cb 0.13 -2.60 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 2chw s SER 513 CO 0.75 0.16 1.36 0.80 0.98 0.00 0.00 173.24 177.29 2chw n MET 514 N 1.55 2.12 -2.13 4.02 1.56 -1.26 -4.73 117.12 118.25 2chw n MET 514 Ca -0.02 0.75 -0.01 0.00 -0.27 0.00 0.00 57.70 58.15 2chw n MET 514 Cb 0.47 -2.52 -0.00 0.00 2.15 0.00 0.00 33.22 33.31 2chw n MET 514 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 2chw n SER 515 N -0.01 0.80 -3.56 6.12 3.41 0.91 0.08 113.62 121.37 2chw n SER 515 Ca 0.06 -1.12 -0.15 0.00 -0.26 0.00 0.00 58.87 57.40 2chw n SER 515 Cb 0.41 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 2chw n SER 515 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2chw s ILE 516 N -1.69 0.00 -0.03 -1.33 2.07 -1.05 -2.61 121.20 116.56 2chw s ILE 516 Ca 0.01 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.27 2chw s ILE 516 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 2chw s ILE 516 CO 0.01 0.00 -0.07 -0.44 -1.91 0.00 0.00 174.94 172.53 2chw s SER 517 N -0.81 1.05 0.04 4.50 0.01 -0.88 -1.05 113.70 116.56 2chw s SER 517 Ca -0.06 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 56.95 2chw s SER 517 Cb -0.01 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2chw s SER 517 CO 0.05 0.03 0.18 0.27 0.41 0.00 0.00 173.24 174.18 2chw s ILE 518 N 0.39 0.11 0.00 1.44 -4.36 -0.28 -1.38 121.20 117.12 2chw s ILE 518 Ca -0.06 -0.93 0.07 0.00 -0.26 0.00 0.00 60.65 59.48 2chw s ILE 518 Cb -0.10 -0.93 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 2chw s ILE 518 CO 0.00 -0.51 -0.21 -0.22 0.24 0.00 0.00 174.94 174.24 2chw s LEU 519 N -2.12 2.08 -0.30 0.37 2.96 -1.00 -1.00 118.68 119.66 2chw s LEU 519 Ca -0.05 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 2chw s LEU 519 Cb -0.01 -1.08 0.08 0.00 0.50 0.00 0.00 46.19 45.68 2chw s LEU 519 CO -0.04 0.24 0.01 -0.76 -1.32 0.00 0.00 176.35 174.48 2chw s LEU 520 N -0.70 3.62 -0.21 -0.68 2.01 0.11 -2.84 118.68 119.99 2chw s LEU 520 Ca 0.08 -1.72 0.02 0.00 0.01 0.00 0.00 54.13 52.51 2chw s LEU 520 Cb -0.08 -1.38 0.04 0.00 0.01 0.00 0.00 46.19 44.77 2chw s LEU 520 CO -0.00 -0.32 -0.14 -0.62 1.01 0.00 0.00 176.35 176.27 2chw s ASP 521 N 1.17 3.67 0.00 2.29 2.15 -1.26 0.23 116.67 124.92 2chw s ASP 521 Ca 0.04 -0.98 0.00 0.00 0.43 0.00 0.00 52.55 52.04 2chw s ASP 521 Cb -0.19 -1.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.99 2chw s ASP 521 CO -0.10 -0.10 0.00 0.59 -0.17 0.00 0.00 175.17 175.38 2chw n ASN 522 N 4.57 0.00 0.00 -0.34 3.02 -1.26 -4.91 115.26 116.34 2chw n ASN 522 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2chw n ASN 522 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2chw n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2chw n HIS 525 N 0.00 0.00 0.00 3.10 -0.00 -1.26 -5.03 115.22 112.03 2chw n HIS 525 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2chw n HIS 525 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2chw n HIS 525 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2chw n PRO 526 N 0.00 0.00 -4.63 -1.40 -0.04 -1.26 -2.99 135.00 124.68 2chw n PRO 526 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2chw n PRO 526 Cb 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.30 2chw n PRO 526 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2chw s ILE 527 N 3.42 1.17 0.17 0.52 1.01 -1.25 -4.66 121.20 121.57 2chw s ILE 527 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.18 2chw s ILE 527 Cb 0.00 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2chw s ILE 527 CO 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 174.94 175.16 2chw s ALA 528 N 0.40 1.77 0.00 9.38 0.00 -1.26 -5.20 121.76 126.86 2chw s ALA 528 Ca -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.31 2chw s ALA 528 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2chw s ALA 528 CO 0.03 0.03 0.00 -2.13 0.00 0.00 0.00 175.76 173.68 2chw n ARG 544 N -0.18 0.48 0.00 0.00 0.63 -1.26 -4.93 116.66 111.39 2chw n ARG 544 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2chw n ARG 544 Cb 0.60 -0.84 0.00 0.00 0.45 0.00 0.00 32.46 32.67 2chw n ARG 544 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2chw n ALA 545 N -2.06 1.09 -1.57 5.13 0.00 -1.26 -4.86 120.51 116.98 2chw n ALA 545 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 2chw n ALA 545 Cb 0.34 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 2chw n ALA 545 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2chw n GLU 546 N -0.81 1.02 -3.66 0.00 1.02 -1.26 -4.99 120.64 111.95 2chw n GLU 546 Ca 0.00 0.36 -0.07 0.00 -0.02 0.00 0.00 57.16 57.44 2chw n GLU 546 Cb 0.11 -1.91 -0.08 0.00 -0.02 0.00 0.00 31.44 29.54 2chw n GLU 546 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2chw s MET 547 N -0.01 0.44 0.70 3.49 -1.94 -1.26 -5.14 119.30 115.58 2chw s MET 547 Ca 0.79 1.12 -0.16 0.00 -1.71 0.00 0.00 55.69 55.73 2chw s MET 547 Cb -0.93 0.39 -0.00 0.00 2.01 0.00 0.00 34.83 36.30 2chw s MET 547 CO 0.50 -0.21 0.98 -0.35 -0.01 0.00 0.00 175.02 175.93 2chw n PRO 548 N 5.12 0.59 -0.04 2.03 -0.04 -1.26 -4.87 135.00 136.54 2chw n PRO 548 Ca -0.13 0.26 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 2chw n PRO 548 Cb 0.51 -2.22 -0.09 0.00 -0.04 0.00 0.00 33.50 31.66 2chw n PRO 548 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2chw h ASN 549 N -0.10 0.25 0.09 3.54 2.35 -2.01 -2.67 115.58 117.02 2chw h ASN 549 Ca -0.48 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 54.71 2chw h ASN 549 Cb 1.34 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 2chw h ASN 549 CO 0.48 0.76 -0.05 -0.61 -1.65 0.00 0.00 177.43 176.36 2chw h GLN 550 N -0.25 0.00 0.02 0.81 5.75 -1.99 -0.81 115.11 118.65 2chw h GLN 550 Ca 0.00 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.38 2chw h GLN 550 Cb 0.72 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.28 2chw h GLN 550 CO 0.03 0.05 -0.51 -0.07 -2.65 0.00 0.00 178.83 175.68 2chw h LEU 551 N 0.00 0.41 -1.30 -2.39 3.38 -1.93 -1.79 115.31 111.69 2chw h LEU 551 Ca -0.00 -0.81 -0.02 0.00 0.09 0.00 0.00 57.88 57.14 2chw h LEU 551 Cb 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2chw h LEU 551 CO 0.01 1.17 0.24 0.08 0.09 0.00 0.00 178.44 180.02 2chw h ARG 552 N -0.30 0.72 -0.42 1.13 0.11 -1.09 0.94 114.38 115.46 2chw h ARG 552 Ca -0.07 -0.09 -0.03 0.00 0.10 0.00 0.00 59.98 59.89 2chw h ARG 552 Cb 1.27 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.19 2chw h ARG 552 CO 0.10 0.57 0.16 0.87 0.10 0.00 0.00 179.97 181.76 2chw h LYS 553 N 0.72 0.64 -0.51 0.08 1.57 -1.21 0.24 116.57 118.11 2chw h LYS 553 Ca 0.18 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2chw h LYS 553 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2chw h LYS 553 CO -0.02 0.61 0.03 1.96 -0.57 0.00 0.00 179.45 181.46 2chw h GLN 554 N 0.54 0.83 -0.45 3.15 4.20 -0.20 0.16 115.11 123.34 2chw h GLN 554 Ca 0.14 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2chw h GLN 554 Cb 0.22 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2chw h GLN 554 CO -0.01 0.81 0.26 1.25 -0.67 0.00 0.00 178.83 180.47 2chw h LEU 555 N 0.78 0.55 -0.23 1.46 5.85 0.12 -1.65 115.31 122.19 2chw h LEU 555 Ca 0.15 -0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.59 2chw h LEU 555 Cb 0.42 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.32 2chw h LEU 555 CO 0.02 0.46 -0.77 -0.33 -0.34 0.00 0.00 178.44 177.47 2chw h GLU 556 N 0.59 0.69 -0.52 1.25 5.08 -0.27 -0.00 114.58 121.40 2chw h GLU 556 Ca 0.16 -0.57 0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2chw h GLU 556 Cb 0.02 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 2chw h GLU 556 CO -0.03 1.18 0.21 0.00 -1.00 0.00 0.00 179.01 179.38 2chw h ALA 557 N 0.66 0.66 0.05 3.43 0.00 -0.91 0.43 119.26 123.57 2chw h ALA 557 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2chw h ALA 557 Cb 1.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2chw h ALA 557 CO 0.15 -0.17 -0.07 0.82 0.00 0.00 0.00 179.25 179.98 2chw h ILE 558 N 0.41 0.83 -0.40 0.00 2.04 -1.10 -2.79 117.51 116.51 2chw h ILE 558 Ca 0.25 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 2chw h ILE 558 Cb 0.24 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2chw h ILE 558 CO -0.23 0.00 0.25 0.40 0.00 0.00 0.00 178.15 178.57 2chw h ILE 559 N -0.15 1.11 -0.03 -0.67 2.04 -0.62 -3.02 117.51 116.18 2chw h ILE 559 Ca 0.01 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2chw h ILE 559 Cb 0.15 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2chw h ILE 559 CO -0.04 0.12 0.01 0.00 0.00 0.00 0.00 178.15 178.24 2chw h ALA 560 N 1.72 0.04 -2.21 1.87 0.00 0.12 -3.46 119.26 117.35 2chw h ALA 560 Ca 0.15 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.44 2chw h ALA 560 Cb -0.03 -0.01 0.21 0.00 0.00 0.00 0.00 17.79 17.96 2chw h ALA 560 CO -0.03 -0.39 -0.72 -2.37 0.00 0.00 0.00 179.25 175.73 2chw n THR 561 N -5.00 0.41 -1.02 0.00 5.66 -1.12 -4.96 114.28 108.25 2chw n THR 561 Ca -0.07 -0.29 -0.29 0.00 -3.05 0.00 0.00 64.05 60.36 2chw n THR 561 Cb 0.10 -0.55 0.21 0.00 -1.55 0.00 0.00 70.33 68.54 2chw n THR 561 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2chw s ASP 562 N -1.73 1.71 0.19 1.09 1.47 -1.26 -4.89 116.67 113.24 2chw s ASP 562 Ca 0.56 1.05 0.22 0.00 1.18 0.00 0.00 52.55 55.56 2chw s ASP 562 Cb -0.24 -1.61 0.89 0.00 -0.34 0.00 0.00 42.92 41.62 2chw s ASP 562 CO 0.67 -3.68 1.67 -2.65 0.68 0.00 0.00 175.17 171.86 2chw n PRO 563 N -4.52 0.15 -0.02 2.11 -0.02 -1.26 -2.69 135.00 128.75 2chw n PRO 563 Ca 0.07 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 2chw n PRO 563 Cb 0.58 -1.77 0.09 0.00 -0.02 0.00 0.00 33.50 32.38 2chw n PRO 563 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2chw n LEU 564 N -2.05 2.67 -4.73 2.45 4.77 -1.26 -4.92 117.00 113.92 2chw n LEU 564 Ca 0.03 -1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 54.54 2chw n LEU 564 Cb 0.24 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2chw n LEU 564 CO 0.20 0.48 0.85 0.21 -1.33 0.00 0.00 177.39 177.79 2chw s ASN 565 N -1.58 7.15 0.30 -1.43 2.47 -1.10 -5.00 114.94 115.75 2chw s ASN 565 Ca 0.24 2.13 -0.28 0.00 0.42 0.00 0.00 52.86 55.37 2chw s ASN 565 Cb 0.16 -2.60 -0.09 0.00 -1.45 0.00 0.00 41.25 37.27 2chw s ASN 565 CO 0.24 -0.34 1.02 -2.84 -3.72 0.00 0.00 177.10 171.46 2chw s PRO 566 N 0.04 4.60 -0.25 0.43 0.02 -1.26 -4.95 135.00 133.62 2chw s PRO 566 Ca 0.53 1.57 -0.20 0.00 0.02 0.00 0.00 61.00 62.92 2chw s PRO 566 Cb -0.31 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 2chw s PRO 566 CO 0.34 0.24 0.63 -0.51 -0.33 0.00 0.00 177.00 177.38 2chw s LEU 567 N -1.71 4.06 0.76 -5.54 1.43 -1.26 -5.06 118.68 111.37 2chw s LEU 567 Ca 0.47 0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.14 2chw s LEU 567 Cb -0.26 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.14 2chw s LEU 567 CO 0.33 -0.37 1.08 0.41 0.23 0.00 0.00 176.35 178.03 2chw n THR 568 N 5.18 2.57 -0.13 5.49 -1.04 -1.26 -4.81 114.28 120.28 2chw n THR 568 Ca -0.01 -0.30 -0.04 0.00 -2.04 0.00 0.00 64.05 61.66 2chw n THR 568 Cb 0.49 -1.17 0.03 0.00 -1.82 0.00 0.00 70.33 67.86 2chw n THR 568 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2chw h ALA 569 N -0.52 0.33 -0.51 2.41 0.00 -1.98 0.17 119.26 119.16 2chw h ALA 569 Ca -0.47 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2chw h ALA 569 Cb 1.32 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2chw h ALA 569 CO 0.47 -0.42 0.33 1.49 0.00 0.00 0.00 179.25 181.12 2chw h GLU 570 N 0.05 0.66 -0.29 0.00 4.81 -1.99 -0.94 114.58 116.88 2chw h GLU 570 Ca 0.20 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 2chw h GLU 570 Cb 0.30 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 2chw h GLU 570 CO -0.39 0.44 -0.26 -0.44 -0.73 0.00 0.00 179.01 177.63 2chw h ASP 571 N 0.68 -0.85 -0.76 1.04 3.32 -1.77 0.00 116.42 118.09 2chw h ASP 571 Ca 0.19 0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.45 2chw h ASP 571 Cb -0.06 0.40 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 2chw h ASP 571 CO -0.05 -0.29 0.45 0.11 -1.72 0.00 0.00 179.24 177.74 2chw h LYS 572 N -0.25 0.81 -0.01 3.56 1.57 -0.22 -1.13 116.57 120.90 2chw h LYS 572 Ca 0.15 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2chw h LYS 572 Cb 0.48 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2chw h LYS 572 CO -0.43 0.54 -0.56 0.93 -0.57 0.00 0.00 179.45 179.35 2chw h GLU 573 N 0.84 0.02 0.46 3.15 5.08 -0.69 -1.20 114.58 122.24 2chw h GLU 573 Ca 0.33 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 2chw h GLU 573 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2chw h GLU 573 CO -0.17 0.58 -0.22 1.25 -1.00 0.00 0.00 179.01 179.45 2chw h LEU 574 N 0.01 -0.52 -0.60 1.33 7.12 -0.26 -1.46 115.31 120.93 2chw h LEU 574 Ca -0.01 -0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.04 2chw h LEU 574 Cb 1.00 0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 41.20 2chw h LEU 574 CO 0.07 -0.25 0.22 -0.07 -0.13 0.00 0.00 178.44 178.29 2chw h LEU 575 N -0.78 0.22 0.15 2.25 -0.00 -1.14 -1.83 115.31 114.18 2chw h LEU 575 Ca -0.06 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2chw h LEU 575 Cb 0.55 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2chw h LEU 575 CO 0.10 0.13 -0.07 -0.25 -0.00 0.00 0.00 178.44 178.35 2chw h TRP 576 N 0.40 -0.19 -0.09 1.13 2.91 -1.12 -1.06 115.95 117.93 2chw h TRP 576 Ca 0.30 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.28 2chw h TRP 576 Cb 0.37 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 2chw h TRP 576 CO -0.17 0.13 -0.10 1.25 -1.03 0.00 0.00 178.44 178.52 2chw h HIS 577 N -0.51 0.14 -1.35 2.65 2.76 -1.13 -1.87 115.15 115.84 2chw h HIS 577 Ca -0.02 -0.01 -0.66 0.00 -2.20 0.00 0.00 60.37 57.48 2chw h HIS 577 Cb 0.40 -0.04 -0.34 0.00 1.55 0.00 0.00 27.41 28.97 2chw h HIS 577 CO 0.02 0.24 0.26 1.19 -1.30 0.00 0.00 177.93 178.34 2chw n PHE 578 N -4.35 3.10 0.10 5.26 0.99 -0.70 -4.74 117.46 117.12 2chw n PHE 578 Ca -0.01 -2.68 0.06 0.00 -0.00 0.00 0.00 57.45 54.82 2chw n PHE 578 Cb 0.22 -0.87 0.52 0.00 -1.00 0.00 0.00 39.48 38.35 2chw n PHE 578 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 2chw h ARG 579 N 2.45 0.30 -0.09 -1.08 0.11 -0.32 -0.04 114.38 115.71 2chw h ARG 579 Ca 0.49 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 60.41 2chw h ARG 579 Cb 0.75 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.77 2chw h ARG 579 CO 1.23 0.20 -0.49 1.88 0.10 0.00 0.00 179.97 182.89 2chw h TYR 580 N 0.31 0.66 -0.75 4.08 -1.99 -1.86 0.14 116.97 117.57 2chw h TYR 580 Ca 0.09 -0.30 -0.02 0.00 2.00 0.00 0.00 58.73 60.51 2chw h TYR 580 Cb 0.00 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.60 2chw h TYR 580 CO -0.00 1.07 0.38 1.49 -0.00 0.00 0.00 178.16 181.10 2chw h GLU 581 N 0.06 1.05 -0.06 4.88 4.57 -1.87 -2.58 114.58 120.64 2chw h GLU 581 Ca -0.04 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 2chw h GLU 581 Cb 1.14 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.52 2chw h GLU 581 CO 0.10 0.79 -0.01 0.77 -1.18 0.00 0.00 179.01 179.48 2chw h SER 582 N 1.05 0.07 1.06 1.04 0.02 -0.60 -2.69 113.55 113.49 2chw h SER 582 Ca 0.26 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2chw h SER 582 Cb 0.07 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2chw h SER 582 CO -0.04 0.09 0.00 0.25 -1.14 0.00 0.00 176.83 175.99 2chw h LEU 583 N 0.08 0.00 0.00 5.07 5.85 -0.30 -2.70 115.31 123.30 2chw h LEU 583 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2chw h LEU 583 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2chw h LEU 583 CO 0.00 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.39 2chw n LYS 584 N -2.79 0.22 -3.86 1.25 5.02 -1.01 -4.49 118.16 112.49 2chw n LYS 584 Ca 0.02 0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 2chw n LYS 584 Cb 0.31 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 2chw n LYS 584 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2chw s HIS 585 N -2.71 2.66 0.34 2.13 3.76 -1.02 -4.98 115.29 115.46 2chw s HIS 585 Ca 0.18 -2.42 0.19 0.00 -0.15 0.00 0.00 55.06 52.87 2chw s HIS 585 Cb 0.15 -2.29 1.24 0.00 1.11 0.00 0.00 32.58 32.78 2chw s HIS 585 CO 0.37 -0.89 1.45 -2.30 -0.85 0.00 0.00 174.74 172.52 2chw n PRO 586 N 4.35 -0.06 0.17 8.40 -0.02 -1.26 0.03 135.00 146.61 2chw n PRO 586 Ca 0.02 1.27 0.13 0.00 -2.02 0.00 0.00 63.50 62.90 2chw n PRO 586 Cb 0.41 -2.28 0.57 0.00 -0.02 0.00 0.00 33.50 32.17 2chw n PRO 586 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2chw h LYS 587 N 0.00 0.00 0.00 -0.52 1.57 -1.94 -2.26 116.57 113.42 2chw h LYS 587 Ca 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.56 2chw h LYS 587 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.37 2chw h LYS 587 CO -0.71 0.00 -0.48 0.00 -0.57 0.00 0.00 179.45 177.69 2chw n ALA 588 N -1.84 2.92 0.03 3.86 0.00 0.10 -4.41 120.51 121.17 2chw n ALA 588 Ca 0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 2chw n ALA 588 Cb 0.21 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 2chw n ALA 588 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2chw h TYR 589 N 0.00 -0.65 -0.44 0.00 -1.99 -1.48 0.31 116.97 112.71 2chw h TYR 589 Ca 0.00 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.85 2chw h TYR 589 Cb 0.68 0.30 -0.09 0.00 2.00 0.00 0.00 36.73 39.62 2chw h TYR 589 CO 0.00 -0.33 -0.20 -1.35 -0.00 0.00 0.00 178.16 176.28 2chw h PRO 590 N -0.34 -0.11 -0.24 4.88 0.11 -1.81 -0.82 132.00 133.67 2chw h PRO 590 Ca 0.08 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 2chw h PRO 590 Cb 0.46 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2chw h PRO 590 CO -0.26 -0.07 -0.27 0.87 -0.21 0.00 0.00 178.00 178.05 2chw h LYS 591 N -0.11 0.48 -0.30 1.05 1.57 -1.67 -2.69 116.57 114.90 2chw h LYS 591 Ca 0.21 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2chw h LYS 591 Cb 0.44 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2chw h LYS 591 CO -0.51 0.71 -0.22 1.25 -0.57 0.00 0.00 179.45 180.11 2chw h LEU 592 N 0.42 0.71 -0.03 2.94 5.85 0.15 -2.51 115.31 122.83 2chw h LEU 592 Ca 0.06 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2chw h LEU 592 Cb 0.70 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2chw h LEU 592 CO 0.05 1.00 0.00 0.49 -0.34 0.00 0.00 178.44 179.64 2chw n PHE 593 N -4.32 0.39 -0.53 1.25 3.01 -0.36 -0.92 117.46 115.98 2chw n PHE 593 Ca -0.03 0.12 0.10 0.00 1.01 0.00 0.00 57.45 58.64 2chw n PHE 593 Cb 0.43 -0.69 0.32 0.00 -0.01 0.00 0.00 39.48 39.53 2chw n PHE 593 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2chw n SER 594 N -1.82 4.32 -0.65 4.37 3.41 -1.03 -3.73 113.62 118.49 2chw n SER 594 Ca 0.06 -2.30 0.08 0.00 -0.26 0.00 0.00 58.87 56.45 2chw n SER 594 Cb 0.36 -0.52 0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2chw n SER 594 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2chw n SER 595 N 1.14 2.41 -4.73 4.04 7.64 -0.09 -4.99 113.62 119.04 2chw n SER 595 Ca 0.24 -1.69 -0.41 0.00 1.01 0.00 0.00 58.87 58.02 2chw n SER 595 Cb 0.77 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 2chw n SER 595 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2chw s VAL 596 N -1.26 4.76 -0.96 0.44 1.01 -1.20 -4.81 120.40 118.38 2chw s VAL 596 Ca 0.20 1.84 -0.24 0.00 0.00 0.00 0.00 61.98 63.78 2chw s VAL 596 Cb 0.13 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.34 2chw s VAL 596 CO 0.20 0.28 1.43 -0.54 0.00 0.00 0.00 175.10 176.46 2chw s LYS 597 N 0.40 3.49 0.41 2.72 1.02 -1.26 -4.85 119.74 121.67 2chw s LYS 597 Ca 0.44 -0.93 0.28 0.00 0.02 0.00 0.00 55.97 55.78 2chw s LYS 597 Cb -0.21 -5.12 0.91 0.00 -0.52 0.00 0.00 37.83 32.89 2chw s LYS 597 CO 0.25 -2.22 1.79 -1.49 -0.92 0.00 0.00 175.35 172.77 2chw h TRP 598 N 9.89 0.00 -0.47 3.18 4.06 -1.96 -2.98 115.95 127.66 2chw h TRP 598 Ca 0.10 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.85 2chw h TRP 598 Cb 1.02 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.06 2chw h TRP 598 CO 1.25 0.00 0.25 0.41 -3.56 0.00 0.00 178.44 176.79 2chw n GLY 599 N 0.55 3.05 2.79 1.49 0.00 -1.26 -4.40 105.19 107.40 2chw n GLY 599 Ca 0.03 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 2chw n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2chw s GLN 600 N -1.83 0.76 0.05 1.61 -0.21 -1.13 -4.85 119.66 114.06 2chw s GLN 600 Ca 0.30 -0.03 -0.23 0.00 0.02 0.00 0.00 55.36 55.43 2chw s GLN 600 Cb 0.25 -1.24 -0.15 0.00 1.00 0.00 0.00 33.01 32.88 2chw s GLN 600 CO 0.07 -0.35 1.49 -0.56 -2.12 0.00 0.00 175.29 173.82 2chw h GLN 601 N 8.29 0.15 0.00 2.91 -0.00 -1.84 -2.61 115.11 122.02 2chw h GLN 601 Ca -0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 2chw h GLN 601 Cb 1.12 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.59 2chw h GLN 601 CO 0.29 0.39 0.00 0.93 -0.00 0.00 0.00 178.83 180.45 2chw h GLU 602 N -0.11 0.00 0.17 0.06 5.08 -1.94 -0.69 114.58 117.14 2chw h GLU 602 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 2chw h GLU 602 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.59 2chw h GLU 602 CO 0.00 0.00 -1.36 0.82 -1.00 0.00 0.00 179.01 177.47 2chw h ILE 603 N 0.00 1.18 -0.63 3.13 2.04 -1.81 -2.56 117.51 118.87 2chw h ILE 603 Ca 0.00 -2.53 0.07 0.00 1.00 0.00 0.00 64.86 63.40 2chw h ILE 603 Cb 0.25 2.92 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 2chw h ILE 603 CO 0.00 0.77 0.32 0.58 0.00 0.00 0.00 178.15 179.81 2chw h VAL 604 N -0.13 0.90 -0.91 1.67 2.07 -0.94 0.19 116.25 119.12 2chw h VAL 604 Ca -0.26 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2chw h VAL 604 Cb 1.90 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 2chw h VAL 604 CO 0.16 0.11 0.58 0.00 0.02 0.00 0.00 177.57 178.43 2chw h ALA 605 N 1.36 1.22 -0.46 1.67 0.00 -1.24 -0.42 119.26 121.39 2chw h ALA 605 Ca 0.30 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2chw h ALA 605 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2chw h ALA 605 CO -0.22 0.40 -0.10 0.87 0.00 0.00 0.00 179.25 180.20 2chw h LYS 606 N 1.10 0.83 -0.85 0.00 1.57 -0.70 -2.05 116.57 116.48 2chw h LYS 606 Ca 0.38 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2chw h LYS 606 Cb 0.08 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2chw h LYS 606 CO -0.14 0.90 0.48 1.15 -0.57 0.00 0.00 179.45 181.27 2chw h THR 607 N 0.75 1.24 -0.40 -0.16 2.02 0.30 -1.40 112.91 115.26 2chw h THR 607 Ca 0.13 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 2chw h THR 607 Cb 0.60 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2chw h THR 607 CO 0.04 0.26 -0.15 1.88 0.37 0.00 0.00 175.52 177.92 2chw h TYR 608 N 1.18 0.92 -0.35 3.16 0.99 -0.89 -1.68 116.97 120.30 2chw h TYR 608 Ca 0.30 -0.22 -0.04 0.00 2.00 0.00 0.00 58.73 60.78 2chw h TYR 608 Cb -0.01 -0.22 -0.02 0.00 1.00 0.00 0.00 36.73 37.49 2chw h TYR 608 CO 0.01 0.96 0.05 0.37 -0.00 0.00 0.00 178.16 179.54 2chw h GLN 609 N 0.62 0.52 0.55 4.88 4.15 -1.10 -2.05 115.11 122.67 2chw h GLN 609 Ca 0.09 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2chw h GLN 609 Cb 0.70 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2chw h GLN 609 CO 0.05 0.51 -0.41 1.25 -1.93 0.00 0.00 178.83 178.31 2chw h LEU 610 N 0.51 -1.06 0.00 -2.39 6.46 -1.06 -3.04 115.31 114.73 2chw h LEU 610 Ca 0.11 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2chw h LEU 610 Cb 0.26 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 2chw h LEU 610 CO 0.00 -0.60 0.01 0.18 -0.62 0.00 0.00 178.44 177.41 2chw n LEU 611 N -5.52 0.00 -0.86 2.25 4.77 -0.65 -0.97 117.00 116.02 2chw n LEU 611 Ca -0.12 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2chw n LEU 611 Cb 0.42 -0.04 0.22 0.00 -2.33 0.00 0.00 43.42 41.69 2chw n LEU 611 CO 0.32 -0.04 0.70 0.00 -1.33 0.00 0.00 177.39 177.04 2chw n ALA 612 N -0.96 2.48 -1.72 -1.18 0.00 -1.15 -4.11 120.51 113.87 2chw n ALA 612 Ca 0.00 -0.67 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 2chw n ALA 612 Cb 0.01 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.60 2chw n ALA 612 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2chw n ARG 613 N 1.07 3.04 -0.12 0.00 5.12 -0.14 -4.80 116.66 120.84 2chw n ARG 613 Ca 0.16 -3.69 0.02 0.00 -1.93 0.00 0.00 57.85 52.41 2chw n ARG 613 Cb 0.54 -2.28 0.07 0.00 -1.16 0.00 0.00 32.46 29.63 2chw n ARG 613 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2chw n ARG 614 N -0.76 1.53 -0.26 5.56 0.63 -1.26 -4.24 116.66 117.86 2chw n ARG 614 Ca 0.54 -0.60 0.07 0.00 -0.92 0.00 0.00 57.85 56.94 2chw n ARG 614 Cb 0.69 -1.32 0.20 0.00 0.45 0.00 0.00 32.46 32.48 2chw n ARG 614 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2chw h GLU 615 N 0.88 0.19 -0.02 -0.14 5.08 -1.94 0.35 114.58 118.97 2chw h GLU 615 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2chw h GLU 615 Cb 0.43 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2chw h GLU 615 CO 0.04 0.12 -0.01 0.28 -1.00 0.00 0.00 179.01 178.44 2chw h VAL 616 N 0.19 1.34 -0.42 3.13 2.07 -1.88 -1.90 116.25 118.78 2chw h VAL 616 Ca 0.44 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.96 2chw h VAL 616 Cb 0.80 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 2chw h VAL 616 CO -0.60 0.28 0.18 -0.25 0.02 0.00 0.00 177.57 177.20 2chw h TRP 617 N -0.37 0.32 0.00 1.57 2.91 -1.72 -0.56 115.95 118.11 2chw h TRP 617 Ca 0.01 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 2chw h TRP 617 Cb 0.46 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 2chw h TRP 617 CO 0.08 0.14 -0.13 -0.44 -1.03 0.00 0.00 178.44 177.05 2chw h ASP 618 N 0.36 0.00 -0.00 2.65 3.32 -0.28 -3.16 116.42 119.31 2chw h ASP 618 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2chw h ASP 618 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2chw h ASP 618 CO -0.17 0.13 -0.73 0.00 -1.72 0.00 0.00 179.24 176.75 2chw n GLN 619 N -4.08 1.50 -1.86 3.56 6.02 -0.72 -4.96 117.38 116.84 2chw n GLN 619 Ca -0.02 -0.11 -0.32 0.00 -0.01 0.00 0.00 57.00 56.54 2chw n GLN 619 Cb 0.22 -1.29 0.02 0.00 1.02 0.00 0.00 30.24 30.21 2chw n GLN 619 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2chw s SER 620 N -2.51 5.70 0.64 1.08 1.04 -0.27 -5.02 113.70 114.36 2chw s SER 620 Ca 0.07 1.69 -0.14 0.00 0.48 0.00 0.00 55.95 58.05 2chw s SER 620 Cb 0.13 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 2chw s SER 620 CO 0.65 -1.22 1.07 0.00 0.98 0.00 0.00 173.24 174.72 2chw s ALA 621 N -2.77 2.64 -0.39 5.32 0.00 -1.26 -4.93 121.76 120.37 2chw s ALA 621 Ca 0.60 0.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 2chw s ALA 621 Cb -0.14 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 2chw s ALA 621 CO 0.45 -1.06 1.59 -1.17 0.00 0.00 0.00 175.76 175.57 2chw s LEU 622 N -4.93 3.53 -0.35 0.00 2.96 -1.26 -4.98 118.68 113.65 2chw s LEU 622 Ca 0.63 0.98 -0.11 0.00 -0.22 0.00 0.00 54.13 55.40 2chw s LEU 622 Cb -0.16 -3.46 0.01 0.00 0.50 0.00 0.00 46.19 43.08 2chw s LEU 622 CO 0.44 -1.60 0.20 -0.62 -1.32 0.00 0.00 176.35 173.44 2chw s ASP 623 N 5.03 5.73 0.11 3.68 -1.08 -1.26 -4.98 116.67 123.90 2chw s ASP 623 Ca 0.69 -0.77 -0.15 0.00 -0.52 0.00 0.00 52.55 51.80 2chw s ASP 623 Cb -0.17 -2.04 -0.06 0.00 -1.46 0.00 0.00 42.92 39.19 2chw s ASP 623 CO 0.32 -0.31 1.47 0.58 0.52 0.00 0.00 175.17 177.75 2chw h VAL 624 N 5.74 1.29 -0.47 1.11 2.07 -1.99 -1.14 116.25 122.87 2chw h VAL 624 Ca -0.28 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 65.97 2chw h VAL 624 Cb 1.12 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2chw h VAL 624 CO 0.65 0.43 0.32 1.23 0.02 0.00 0.00 177.57 180.22 2chw h GLY 625 N 0.49 0.51 0.71 2.17 0.00 -1.92 0.55 103.07 105.59 2chw h GLY 625 Ca 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2chw h GLY 625 CO 0.05 0.13 0.00 1.41 0.00 0.00 0.00 176.54 178.14 2chw h LEU 626 N 0.42 0.05 -0.58 3.11 3.38 -1.84 -2.96 115.31 116.89 2chw h LEU 626 Ca 0.20 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2chw h LEU 626 Cb 0.28 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2chw h LEU 626 CO -0.05 0.35 0.26 0.74 0.09 0.00 0.00 178.44 179.83 2chw h THR 627 N -0.24 1.22 -0.97 0.22 2.02 0.09 -2.18 112.91 113.06 2chw h THR 627 Ca 0.01 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.60 2chw h THR 627 Cb 0.32 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2chw h THR 627 CO 0.00 0.25 0.63 0.24 0.37 0.00 0.00 175.52 177.01 2chw h MET 628 N 0.79 1.16 -0.46 6.66 2.86 -0.03 -2.64 114.93 123.27 2chw h MET 628 Ca 0.20 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2chw h MET 628 Cb 0.15 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2chw h MET 628 CO -0.02 0.77 0.30 1.96 1.06 0.00 0.00 176.91 180.97 2chw h GLN 629 N 1.19 0.61 0.00 1.72 4.20 -1.21 0.14 115.11 121.76 2chw h GLN 629 Ca 0.39 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.06 2chw h GLN 629 Cb 0.05 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.70 2chw h GLN 629 CO -0.13 0.41 0.00 1.28 -0.67 0.00 0.00 178.83 179.72 2chw n LEU 630 N -4.46 0.06 -1.10 1.46 4.77 -1.00 -3.01 117.00 113.73 2chw n LEU 630 Ca 0.04 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.63 2chw n LEU 630 Cb 0.06 -0.49 0.22 0.00 -2.33 0.00 0.00 43.42 40.88 2chw n LEU 630 CO 0.36 -0.02 0.69 0.18 -1.33 0.00 0.00 177.39 177.27 2chw n LEU 631 N -1.56 3.42 0.00 2.23 4.77 0.02 -4.51 117.00 121.38 2chw n LEU 631 Ca 0.07 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 2chw n LEU 631 Cb 0.34 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2chw n LEU 631 CO 0.27 0.77 0.00 -0.90 -1.33 0.00 0.00 177.39 176.20 2chw n ASP 632 N 1.37 0.00 0.10 -1.43 5.75 -1.14 -4.80 116.55 116.40 2chw n ASP 632 Ca 0.19 -0.67 0.11 0.00 -0.01 0.00 0.00 54.79 54.41 2chw n ASP 632 Cb 0.57 0.00 0.45 0.00 -1.03 0.00 0.00 41.12 41.11 2chw n ASP 632 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2chw n ASN 634 N -2.06 0.11 -3.77 0.00 4.13 -1.26 -3.80 115.26 108.61 2chw n ASN 634 Ca 0.03 -0.31 -0.24 0.00 1.68 0.00 0.00 54.58 55.73 2chw n ASN 634 Cb 0.22 -0.21 -0.17 0.00 -1.54 0.00 0.00 39.78 38.08 2chw n ASN 634 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2chw s PHE 635 N -2.51 0.82 -0.20 3.10 0.40 -1.14 -4.75 117.98 113.70 2chw s PHE 635 Ca 0.30 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 2chw s PHE 635 Cb 0.20 -0.89 0.03 0.00 0.51 0.00 0.00 43.02 42.87 2chw s PHE 635 CO 0.46 -0.42 0.81 0.43 0.70 0.00 0.00 175.22 177.20 2chw n SER 636 N 5.11 1.67 -4.73 1.36 7.64 -1.26 -4.79 113.62 118.62 2chw n SER 636 Ca -0.08 -1.55 -0.41 0.00 1.01 0.00 0.00 58.87 57.84 2chw n SER 636 Cb 0.49 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 2chw n SER 636 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2chw s ASP 637 N -0.59 7.28 0.16 6.43 -1.08 -1.26 -4.76 116.67 122.85 2chw s ASP 637 Ca 0.03 1.54 -0.15 0.00 -0.52 0.00 0.00 52.55 53.46 2chw s ASP 637 Cb 0.02 -2.51 0.05 0.00 -1.46 0.00 0.00 42.92 39.01 2chw s ASP 637 CO 0.03 -0.08 1.80 -0.08 0.52 0.00 0.00 175.17 177.36 2chw h GLU 638 N 6.01 0.67 0.02 4.34 4.81 -1.94 -2.00 114.58 126.49 2chw h GLU 638 Ca -0.43 -0.06 -0.26 0.00 -0.13 0.00 0.00 59.36 58.48 2chw h GLU 638 Cb 1.21 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 30.47 2chw h GLU 638 CO 0.73 0.49 -1.06 -0.91 -0.73 0.00 0.00 179.01 177.53 2chw h ASN 639 N 0.66 0.83 -0.02 1.04 2.35 -1.99 -0.86 115.58 117.59 2chw h ASN 639 Ca 0.18 -0.68 0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2chw h ASN 639 Cb -0.01 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.05 2chw h ASN 639 CO -0.03 1.48 -0.36 0.58 -1.65 0.00 0.00 177.43 177.45 2chw h VAL 640 N 0.35 0.24 -0.28 2.81 2.07 -1.95 -2.51 116.25 116.98 2chw h VAL 640 Ca -0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2chw h VAL 640 Cb 1.71 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2chw h VAL 640 CO 0.20 0.00 0.10 0.03 0.02 0.00 0.00 177.57 177.92 2chw h ARG 641 N -0.50 0.38 -0.17 1.57 3.08 -1.25 -1.97 114.38 115.51 2chw h ARG 641 Ca 0.06 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 2chw h ARG 641 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2chw h ARG 641 CO -0.30 0.33 -0.35 0.00 -1.07 0.00 0.00 179.97 178.58 2chw h ALA 642 N 1.73 1.08 0.00 0.04 0.00 -0.83 -1.85 119.26 119.43 2chw h ALA 642 Ca 0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2chw h ALA 642 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2chw h ALA 642 CO -0.01 0.58 -0.19 -0.84 0.00 0.00 0.00 179.25 178.79 2chw h ILE 643 N 0.31 0.62 -0.03 0.00 3.07 -0.93 0.31 117.51 120.86 2chw h ILE 643 Ca 0.04 -0.85 -0.10 0.00 1.55 0.00 0.00 64.86 65.50 2chw h ILE 643 Cb 0.77 1.55 0.01 0.00 -0.27 0.00 0.00 36.82 38.87 2chw h ILE 643 CO 0.06 0.18 -0.38 0.00 -1.05 0.00 0.00 178.15 176.96 2chw h ALA 644 N 1.81 0.08 0.00 0.16 0.00 -1.38 -2.98 119.26 116.96 2chw h ALA 644 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2chw h ALA 644 Cb 0.53 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2chw h ALA 644 CO 0.02 0.20 -0.04 0.28 0.00 0.00 0.00 179.25 179.72 2chw h VAL 645 N -0.25 0.55 -0.06 0.00 2.07 -1.01 -1.06 116.25 116.49 2chw h VAL 645 Ca -0.04 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2chw h VAL 645 Cb 1.08 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2chw h VAL 645 CO 0.08 0.04 0.01 -0.61 0.02 0.00 0.00 177.57 177.11 2chw h GLN 646 N 0.00 0.10 -0.30 1.57 4.15 -0.88 -3.06 115.11 116.69 2chw h GLN 646 Ca -0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2chw h GLN 646 Cb 0.10 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2chw h GLN 646 CO 0.00 0.31 0.00 -0.22 -1.93 0.00 0.00 178.83 177.00 2chw h LYS 647 N -0.13 0.46 0.00 1.69 1.63 -1.05 -1.65 116.57 117.53 2chw h LYS 647 Ca 0.02 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 2chw h LYS 647 Cb 0.26 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2chw h LYS 647 CO 0.00 0.49 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.29 2chw h LEU 648 N 0.45 0.00 -1.94 5.20 3.38 -1.36 -3.03 115.31 118.00 2chw h LEU 648 Ca 0.10 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.21 2chw h LEU 648 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2chw h LEU 648 CO 0.01 0.14 0.37 -0.33 0.09 0.00 0.00 178.44 178.71 2chw h GLU 649 N 0.00 0.06 -0.00 1.13 4.39 -1.24 0.40 114.58 119.32 2chw h GLU 649 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2chw h GLU 649 Cb 0.25 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2chw h GLU 649 CO 0.02 0.04 -0.02 -1.13 -1.16 0.00 0.00 179.01 176.76 2chw n SER 650 N -4.40 0.21 -4.73 1.42 3.41 -1.14 -4.82 113.62 103.55 2chw n SER 650 Ca 0.09 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.56 2chw n SER 650 Cb 0.55 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2chw n SER 650 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2chw s LEU 651 N -2.24 4.39 0.26 1.04 1.43 0.14 -5.02 118.68 118.67 2chw s LEU 651 Ca 0.38 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.93 2chw s LEU 651 Cb 0.21 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 2chw s LEU 651 CO 0.41 -0.68 0.62 -1.83 0.23 0.00 0.00 176.35 175.10 2chw s GLU 652 N 0.13 3.90 0.35 1.70 -1.05 -1.26 -4.82 118.70 117.65 2chw s GLU 652 Ca 0.61 0.45 0.14 0.00 -0.15 0.00 0.00 54.97 56.03 2chw s GLU 652 Cb -0.41 -2.60 1.13 0.00 -0.44 0.00 0.00 34.13 31.82 2chw s GLU 652 CO 0.38 0.28 1.60 -0.44 0.95 0.00 0.00 175.26 178.03 2chw h ASP 653 N 2.55 0.18 -0.42 0.83 3.32 -1.95 0.51 116.42 121.43 2chw h ASP 653 Ca -0.47 0.25 0.08 0.00 0.02 0.00 0.00 57.03 56.90 2chw h ASP 653 Cb 1.17 0.28 -0.07 0.00 0.22 0.00 0.00 39.33 40.94 2chw h ASP 653 CO 0.67 -0.34 0.03 -0.78 -1.72 0.00 0.00 179.24 177.11 2chw h ASP 654 N 0.08 -0.11 -0.06 6.45 3.58 -1.93 0.67 116.42 125.10 2chw h ASP 654 Ca 0.76 0.09 -0.21 0.00 0.42 0.00 0.00 57.03 58.08 2chw h ASP 654 Cb 1.85 0.15 0.01 0.00 1.72 0.00 0.00 39.33 43.05 2chw h ASP 654 CO -0.76 -0.02 -0.76 0.44 -2.88 0.00 0.00 179.24 175.26 2chw h ASP 655 N 0.15 0.84 -0.33 2.28 3.32 -0.39 -3.05 116.42 119.24 2chw h ASP 655 Ca 0.21 -0.55 0.07 0.00 0.02 0.00 0.00 57.03 56.79 2chw h ASP 655 Cb 0.29 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 2chw h ASP 655 CO -0.32 1.33 -0.14 0.58 -1.72 0.00 0.00 179.24 178.97 2chw h VAL 656 N 0.49 0.54 -0.42 -1.35 2.07 -0.67 0.33 116.25 117.23 2chw h VAL 656 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 2chw h VAL 656 Cb 1.37 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2chw h VAL 656 CO 0.15 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 178.00 2chw h LEU 657 N -0.09 0.00 -0.91 2.57 3.38 -0.91 0.35 115.31 119.71 2chw h LEU 657 Ca 0.17 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2chw h LEU 657 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2chw h LEU 657 CO -0.39 0.00 -0.49 0.45 0.09 0.00 0.00 178.44 178.09 2chw h HIS 658 N 0.00 0.15 -0.13 1.13 3.86 -0.82 -3.32 115.15 116.01 2chw h HIS 658 Ca 0.20 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2chw h HIS 658 Cb 0.86 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2chw h HIS 658 CO 0.00 0.59 0.00 0.66 0.86 0.00 0.00 177.93 180.04 2chw n TYR 659 N -3.95 0.16 0.13 2.45 4.02 0.99 -4.78 117.16 116.18 2chw n TYR 659 Ca -0.02 -0.21 -0.13 0.00 -0.01 0.00 0.00 57.90 57.54 2chw n TYR 659 Cb 0.52 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.77 2chw n TYR 659 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2chw h LEU 660 N 1.76 -0.51 -0.49 7.72 5.85 -0.95 0.46 115.31 129.15 2chw h LEU 660 Ca 0.00 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.87 2chw h LEU 660 Cb 0.51 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.63 2chw h LEU 660 CO 0.00 -0.28 -0.13 0.25 -0.34 0.00 0.00 178.44 177.94 2chw h LEU 661 N -0.40 -0.48 -0.54 2.25 5.85 -1.86 0.22 115.31 120.35 2chw h LEU 661 Ca 0.01 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2chw h LEU 661 Cb 0.39 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2chw h LEU 661 CO -0.07 -0.17 -0.21 1.56 -0.34 0.00 0.00 178.44 179.22 2chw h GLN 662 N -0.01 0.00 -0.11 1.25 4.20 -1.74 -0.81 115.11 117.90 2chw h GLN 662 Ca 0.24 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.78 2chw h GLN 662 Cb 0.37 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2chw h GLN 662 CO -0.51 0.21 -0.63 -0.07 -0.67 0.00 0.00 178.83 177.16 2chw h LEU 663 N 0.00 0.44 -0.19 1.46 3.38 0.67 -1.62 115.31 119.46 2chw h LEU 663 Ca -0.00 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 2chw h LEU 663 Cb 0.96 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2chw h LEU 663 CO 0.03 0.96 -0.18 0.58 0.09 0.00 0.00 178.44 179.92 2chw h VAL 664 N 0.29 1.33 0.00 1.22 2.07 -0.27 -2.48 116.25 118.41 2chw h VAL 664 Ca -0.01 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 2chw h VAL 664 Cb 1.16 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2chw h VAL 664 CO 0.11 0.40 -0.04 1.56 0.02 0.00 0.00 177.57 179.62 2chw h GLN 665 N 0.11 0.00 0.00 1.57 1.08 -1.15 -2.31 115.11 114.41 2chw h GLN 665 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2chw h GLN 665 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2chw h GLN 665 CO 0.04 0.04 0.00 0.00 -0.95 0.00 0.00 178.83 177.97 2chw h ALA 666 N 1.96 1.00 0.00 3.87 0.00 -0.81 -1.32 119.26 123.96 2chw h ALA 666 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2chw h ALA 666 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2chw h ALA 666 CO 0.01 0.00 -0.05 0.28 0.00 0.00 0.00 179.25 179.48 2chw h VAL 667 N 0.00 0.86 -0.03 0.00 2.07 -1.34 -1.81 116.25 116.00 2chw h VAL 667 Ca 0.00 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2chw h VAL 667 Cb 0.40 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2chw h VAL 667 CO 0.00 0.05 0.12 0.11 0.02 0.00 0.00 177.57 177.87 2chw h LYS 668 N 0.00 0.00 -0.02 1.57 1.57 -1.41 -0.11 116.57 118.17 2chw h LYS 668 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2chw h LYS 668 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2chw h LYS 668 CO 0.01 0.00 -0.11 1.19 -0.57 0.00 0.00 179.45 179.97 2chw n PHE 669 N -3.22 0.00 -2.48 -1.35 0.99 -0.68 -4.84 117.46 105.89 2chw n PHE 669 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.01 2chw n PHE 669 Cb 0.19 -0.01 -0.03 0.00 -1.00 0.00 0.00 39.48 38.64 2chw n PHE 669 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2chw s GLU 670 N -2.12 4.47 0.36 -1.08 0.41 -0.05 -4.88 118.70 115.81 2chw s GLU 670 Ca 0.27 1.71 0.03 0.00 -0.41 0.00 0.00 54.97 56.58 2chw s GLU 670 Cb 0.20 -3.36 0.67 0.00 -1.78 0.00 0.00 34.13 29.86 2chw s GLU 670 CO 0.37 -0.18 2.00 -1.35 -0.49 0.00 0.00 175.26 175.60 2chw h PRO 671 N 6.59 0.73 -6.17 0.39 0.11 -1.88 -3.45 132.00 128.32 2chw h PRO 671 Ca -0.42 -0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.03 2chw h PRO 671 Cb 1.21 -0.15 -0.27 0.00 0.11 0.00 0.00 31.00 31.90 2chw h PRO 671 CO 0.79 0.52 -0.85 0.71 -0.21 0.00 0.00 178.00 178.96 2chw s TYR 672 N -5.55 1.90 0.34 0.65 1.51 -1.26 -4.90 117.35 110.03 2chw s TYR 672 Ca -0.09 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.64 2chw s TYR 672 Cb 0.17 -1.15 0.68 0.00 -0.11 0.00 0.00 41.96 41.55 2chw s TYR 672 CO 0.76 0.08 1.92 0.45 -1.11 0.00 0.00 175.55 177.64 2chw h HIS 673 N 4.99 0.88 -3.58 2.71 3.86 -1.95 -3.35 115.15 118.70 2chw h HIS 673 Ca -0.43 0.02 -0.62 0.00 -1.16 0.00 0.00 60.37 58.19 2chw h HIS 673 Cb 1.15 -0.29 -0.13 0.00 1.06 0.00 0.00 27.41 29.21 2chw h HIS 673 CO 0.48 0.44 -0.00 0.34 0.86 0.00 0.00 177.93 180.04 2chw s ASP 674 N -6.04 6.44 0.03 2.45 -1.08 -1.26 -4.87 116.67 112.34 2chw s ASP 674 Ca -0.10 0.50 -0.12 0.00 -0.52 0.00 0.00 52.55 52.31 2chw s ASP 674 Cb 0.20 -2.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.39 2chw s ASP 674 CO 0.79 -0.31 0.25 -0.94 0.52 0.00 0.00 175.17 175.48 2chw s SER 675 N 1.56 -0.06 0.30 -0.34 1.04 -1.26 -5.02 113.70 109.92 2chw s SER 675 Ca 0.21 -0.23 0.11 0.00 0.48 0.00 0.00 55.95 56.52 2chw s SER 675 Cb -0.16 0.32 0.95 0.00 0.10 0.00 0.00 66.02 67.23 2chw s SER 675 CO 0.09 -0.57 1.36 0.00 0.98 0.00 0.00 173.24 175.11 2chw n ALA 676 N 0.72 0.70 0.01 5.32 0.00 -1.26 -1.17 120.51 124.84 2chw n ALA 676 Ca -0.19 0.90 -0.18 0.00 0.00 0.00 0.00 53.44 53.97 2chw n ALA 676 Cb 0.59 -0.80 -0.11 0.00 0.00 0.00 0.00 19.45 19.13 2chw n ALA 676 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2chw h LEU 677 N 0.00 0.55 -1.38 0.00 5.85 -1.95 0.28 115.31 118.67 2chw h LEU 677 Ca 0.65 -0.79 0.06 0.00 0.84 0.00 0.00 57.88 58.64 2chw h LEU 677 Cb 1.57 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 2chw h LEU 677 CO -0.73 1.27 0.47 0.00 -0.34 0.00 0.00 178.44 179.11 2chw h ALA 678 N 0.29 1.68 0.01 1.25 0.00 -1.74 -0.49 119.26 120.26 2chw h ALA 678 Ca -0.09 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2chw h ALA 678 Cb 1.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2chw h ALA 678 CO 0.13 0.21 -1.00 0.00 0.00 0.00 0.00 179.25 178.59 2chw h ARG 679 N 0.77 0.03 -0.43 0.00 3.08 -0.92 -2.78 114.38 114.12 2chw h ARG 679 Ca 0.30 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 2chw h ARG 679 Cb 0.22 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2chw h ARG 679 CO -0.10 1.00 0.19 0.35 -1.07 0.00 0.00 179.97 180.35 2chw h PHE 680 N 0.01 0.64 -0.29 3.04 3.57 0.20 -2.31 116.94 121.81 2chw h PHE 680 Ca -0.02 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.45 2chw h PHE 680 Cb 1.75 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.27 2chw h PHE 680 CO 0.01 0.54 0.15 -0.07 -2.23 0.00 0.00 178.31 176.71 2chw h LEU 681 N 0.56 0.24 -0.00 0.59 3.38 -1.03 -2.15 115.31 116.90 2chw h LEU 681 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2chw h LEU 681 Cb 0.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2chw h LEU 681 CO -0.02 0.18 -0.01 -0.07 0.09 0.00 0.00 178.44 178.62 2chw h LEU 682 N 0.32 -0.02 -0.33 1.67 3.38 -1.36 0.54 115.31 119.50 2chw h LEU 682 Ca 0.12 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2chw h LEU 682 Cb 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2chw h LEU 682 CO -0.07 -0.01 -0.20 0.29 0.09 0.00 0.00 178.44 178.55 2chw n LYS 683 N -2.64 -0.15 -0.32 1.13 5.02 -0.88 0.28 118.16 120.59 2chw n LYS 683 Ca -0.00 0.88 -0.01 0.00 -2.02 0.00 0.00 58.31 57.16 2chw n LYS 683 Cb 0.00 -1.31 0.11 0.00 -0.02 0.00 0.00 35.03 33.82 2chw n LYS 683 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2chw h ARG 684 N 0.00 1.08 -0.58 1.97 2.47 -1.25 0.06 114.38 118.13 2chw h ARG 684 Ca 0.05 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 2chw h ARG 684 Cb 0.14 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 2chw h ARG 684 CO -0.31 0.71 0.01 0.78 0.56 0.00 0.00 179.97 181.73 2chw h GLY 685 N 1.11 1.07 2.00 0.04 0.00 0.14 -2.35 103.07 105.08 2chw h GLY 685 Ca 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2chw h GLY 685 CO -0.11 0.69 0.00 1.41 0.00 0.00 0.00 176.54 178.53 2chw h LEU 686 N 0.91 0.00 0.00 3.11 3.38 0.69 -3.15 115.31 120.25 2chw h LEU 686 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2chw h LEU 686 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2chw h LEU 686 CO 0.02 0.00 -0.27 -0.09 0.09 0.00 0.00 178.44 178.19 2chw h ARG 687 N 0.00 0.00 -2.76 1.13 2.43 -0.47 -3.46 114.38 111.25 2chw h ARG 687 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2chw h ARG 687 Cb 0.82 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.09 2chw h ARG 687 CO 0.00 0.00 -0.40 1.21 -1.51 0.00 0.00 179.97 179.27 2chw s ASN 688 N -5.27 -0.26 0.30 -3.80 3.84 -1.14 -4.86 114.94 103.74 2chw s ASN 688 Ca 0.07 0.76 -0.00 0.00 0.21 0.00 0.00 52.86 53.89 2chw s ASN 688 Cb 0.09 0.75 0.47 0.00 -0.55 0.00 0.00 41.25 42.01 2chw s ASN 688 CO 0.68 -0.20 1.88 0.11 -2.79 0.00 0.00 177.10 176.78 2chw h LYS 689 N 7.50 0.82 -0.55 0.43 1.57 -1.82 0.13 116.57 124.65 2chw h LYS 689 Ca -0.31 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 2chw h LYS 689 Cb 1.15 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2chw h LYS 689 CO 0.26 0.69 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.73 2chw h ARG 690 N 0.80 0.97 -0.19 3.15 2.43 -1.91 0.07 114.38 119.71 2chw h ARG 690 Ca 0.19 -0.31 -0.19 0.00 -0.81 0.00 0.00 59.98 58.85 2chw h ARG 690 Cb 0.19 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2chw h ARG 690 CO -0.01 0.98 -0.65 0.82 -1.51 0.00 0.00 179.97 179.60 2chw h ILE 691 N 0.85 1.30 -0.22 1.20 2.04 -1.83 -2.89 117.51 117.96 2chw h ILE 691 Ca 0.15 -1.89 0.04 0.00 1.00 0.00 0.00 64.86 64.17 2chw h ILE 691 Cb 0.55 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 2chw h ILE 691 CO 0.03 0.60 -0.05 1.23 0.00 0.00 0.00 178.15 179.96 2chw h GLY 692 N 0.85 0.16 0.71 5.37 0.00 -0.48 0.50 103.07 110.18 2chw h GLY 692 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.42 2chw h GLY 692 CO 0.13 -0.08 0.13 0.84 0.00 0.00 0.00 176.54 177.56 2chw h HIS 693 N 0.01 0.24 0.00 5.60 -0.00 -1.02 -1.11 115.15 118.86 2chw h HIS 693 Ca 0.11 0.02 -0.13 0.00 -0.00 0.00 0.00 60.37 60.36 2chw h HIS 693 Cb 0.16 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 2chw h HIS 693 CO -0.23 0.10 -0.61 0.74 -0.00 0.00 0.00 177.93 177.94 2chw h PHE 694 N 0.29 0.00 0.14 5.26 -1.00 -1.22 -2.86 116.94 117.54 2chw h PHE 694 Ca 0.16 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.95 2chw h PHE 694 Cb 0.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 2chw h PHE 694 CO -0.14 0.61 -0.21 1.25 -1.61 0.00 0.00 178.31 178.22 2chw h LEU 695 N 0.00 -0.57 -0.18 1.54 5.85 0.70 -1.41 115.31 121.25 2chw h LEU 695 Ca -0.01 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2chw h LEU 695 Cb 1.18 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2chw h LEU 695 CO 0.08 -0.29 -0.21 0.15 -0.34 0.00 0.00 178.44 177.82 2chw h PHE 696 N -0.41 -0.65 0.00 1.25 3.57 -1.05 -0.05 116.94 119.60 2chw h PHE 696 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2chw h PHE 696 Cb 0.41 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 2chw h PHE 696 CO -0.19 -0.18 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.18 2chw h TRP 697 N -0.13 0.00 0.03 0.41 4.06 -1.47 0.29 115.95 119.14 2chw h TRP 697 Ca 0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 2chw h TRP 697 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2chw h TRP 697 CO -0.68 0.05 -0.01 0.74 -3.56 0.00 0.00 178.44 174.97 2chw h PHE 698 N 0.00 -0.03 -0.24 0.49 0.05 -0.74 -0.82 116.94 115.64 2chw h PHE 698 Ca -0.00 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2chw h PHE 698 Cb 0.09 0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 2chw h PHE 698 CO 0.00 0.57 0.16 -0.07 -0.18 0.00 0.00 178.31 178.79 2chw h LEU 699 N -0.66 0.28 -1.17 1.54 3.38 -0.58 -2.95 115.31 115.16 2chw h LEU 699 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2chw h LEU 699 Cb 0.61 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2chw h LEU 699 CO 0.01 0.21 0.25 -0.09 0.09 0.00 0.00 178.44 178.91 2chw h ARG 700 N 0.33 0.84 -0.99 1.13 2.43 -0.47 -1.51 114.38 116.14 2chw h ARG 700 Ca 0.09 -0.12 0.22 0.00 -0.81 0.00 0.00 59.98 59.36 2chw h ARG 700 Cb -0.03 -0.15 -0.12 0.00 -0.42 0.00 0.00 29.97 29.25 2chw h ARG 700 CO -0.02 0.67 0.58 1.03 -1.51 0.00 0.00 179.97 180.72 2chw h SER 701 N 0.83 0.68 0.50 -3.80 0.87 -0.96 -1.90 113.55 109.78 2chw h SER 701 Ca 0.20 0.12 -0.29 0.00 -1.23 0.00 0.00 61.79 60.59 2chw h SER 701 Cb 0.13 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 2chw h SER 701 CO -0.02 0.16 -1.70 -0.62 -0.53 0.00 0.00 176.83 174.12 2chw n GLU 702 N -4.85 0.63 -0.29 2.24 -0.58 -0.87 -3.98 120.64 112.94 2chw n GLU 702 Ca 0.25 0.30 -0.06 0.00 -0.42 0.00 0.00 57.16 57.23 2chw n GLU 702 Cb 0.66 -1.80 0.07 0.00 -0.57 0.00 0.00 31.44 29.80 2chw n GLU 702 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2chw h ILE 703 N 0.00 1.26 0.00 -3.67 2.04 -0.95 -1.02 117.51 115.17 2chw h ILE 703 Ca -0.28 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2chw h ILE 703 Cb 2.00 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2chw h ILE 703 CO 0.08 0.33 0.00 0.00 0.00 0.00 0.00 178.15 178.56 2chw n ALA 704 N -2.43 2.30 0.00 1.87 0.00 -0.74 -4.29 120.51 117.22 2chw n ALA 704 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2chw n ALA 704 Cb 0.18 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2chw n ALA 704 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2chw n GLN 705 N -1.21 1.76 -4.82 0.00 7.27 -1.00 -4.36 117.38 115.01 2chw n GLN 705 Ca 0.14 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.91 2chw n GLN 705 Cb 0.17 -0.52 -0.17 0.00 2.41 0.00 0.00 30.24 32.13 2chw n GLN 705 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2chw s SER 706 N -0.80 2.58 0.30 1.69 1.04 -0.42 -4.93 113.70 113.16 2chw s SER 706 Ca 0.00 -0.46 0.13 0.00 0.48 0.00 0.00 55.95 56.10 2chw s SER 706 Cb 0.00 -1.18 0.42 0.00 0.10 0.00 0.00 66.02 65.36 2chw s SER 706 CO 0.00 0.08 1.62 0.03 0.98 0.00 0.00 173.24 175.96 2chw h ARG 707 N 7.00 0.00 0.00 4.02 2.47 -1.90 -1.85 114.38 124.12 2chw h ARG 707 Ca -0.26 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 2chw h ARG 707 Cb 1.21 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.52 2chw h ARG 707 CO 0.48 0.55 -0.19 0.45 0.56 0.00 0.00 179.97 181.83 2chw h HIS 708 N 0.00 0.00 0.00 3.04 3.86 -1.94 -3.31 115.15 116.81 2chw h HIS 708 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2chw h HIS 708 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2chw h HIS 708 CO 0.00 0.19 0.00 0.66 0.86 0.00 0.00 177.93 179.64 2chw n TYR 709 N -4.04 0.00 -0.33 2.45 4.02 -1.24 -4.57 117.16 113.46 2chw n TYR 709 Ca -0.02 0.00 0.26 0.00 -0.01 0.00 0.00 57.90 58.13 2chw n TYR 709 Cb 0.27 0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.09 2chw n TYR 709 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 2chw h GLN 710 N 0.00 0.23 0.08 -0.72 3.07 -1.42 -2.34 115.11 114.01 2chw h GLN 710 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 2chw h GLN 710 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.53 2chw h GLN 710 CO 0.00 0.15 -0.04 1.96 0.09 0.00 0.00 178.83 180.99 2chw h GLN 711 N 0.23 -0.10 0.18 0.06 4.20 -1.86 -0.27 115.11 117.54 2chw h GLN 711 Ca 0.77 0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.50 2chw h GLN 711 Cb 1.84 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.61 2chw h GLN 711 CO -0.65 0.18 -0.34 -0.09 -0.67 0.00 0.00 178.83 177.25 2chw h ARG 712 N -0.38 -0.58 -0.89 1.46 2.43 -1.83 -2.11 114.38 112.48 2chw h ARG 712 Ca -0.01 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2chw h ARG 712 Cb 0.33 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 2chw h ARG 712 CO 0.02 -0.39 0.51 0.74 -1.51 0.00 0.00 179.97 179.34 2chw h PHE 713 N -0.60 1.21 0.00 2.20 0.05 -1.43 -1.09 116.94 117.27 2chw h PHE 713 Ca 0.02 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.78 2chw h PHE 713 Cb 0.61 -0.39 -0.00 0.00 2.00 0.00 0.00 35.95 38.17 2chw h PHE 713 CO -0.28 0.82 -0.04 0.00 -0.18 0.00 0.00 178.31 178.64 2chw h ALA 714 N 1.27 1.48 0.01 2.45 0.00 -0.79 0.31 119.26 123.99 2chw h ALA 714 Ca 0.32 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 2chw h ALA 714 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2chw h ALA 714 CO -0.05 0.05 -0.93 0.28 0.00 0.00 0.00 179.25 178.59 2chw h VAL 715 N 0.00 1.45 -0.06 0.00 2.07 -0.52 -1.86 116.25 117.33 2chw h VAL 715 Ca -0.00 -2.56 -0.10 0.00 0.82 0.00 0.00 66.70 64.86 2chw h VAL 715 Cb 0.10 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2chw h VAL 715 CO 0.00 0.76 -0.35 0.40 0.02 0.00 0.00 177.57 178.41 2chw h ILE 716 N 0.17 1.43 -0.07 4.57 2.04 -0.87 -1.33 117.51 123.45 2chw h ILE 716 Ca -0.07 -1.78 0.02 0.00 1.00 0.00 0.00 64.86 64.04 2chw h ILE 716 Cb 1.57 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 40.01 2chw h ILE 716 CO 0.15 0.51 -0.06 0.25 0.00 0.00 0.00 178.15 179.00 2chw h LEU 717 N -0.17 -0.20 -0.12 1.44 6.46 -0.52 -0.44 115.31 121.76 2chw h LEU 717 Ca -0.03 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2chw h LEU 717 Cb 1.01 0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 2chw h LEU 717 CO 0.07 -0.09 -0.51 -0.08 -0.62 0.00 0.00 178.44 177.21 2chw h GLU 718 N -0.08 -0.55 -0.89 1.25 4.81 -1.31 -0.78 114.58 117.03 2chw h GLU 718 Ca 0.05 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.56 2chw h GLU 718 Cb 0.15 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 29.52 2chw h GLU 718 CO -0.12 -0.37 0.28 0.00 -0.73 0.00 0.00 179.01 178.08 2chw h ALA 719 N -0.19 1.36 0.56 2.92 0.00 -0.67 -1.31 119.26 121.94 2chw h ALA 719 Ca 0.04 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2chw h ALA 719 Cb 0.67 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2chw h ALA 719 CO -0.42 -0.47 -0.27 -0.92 0.00 0.00 0.00 179.25 177.17 2chw h TYR 720 N 0.24 -0.70 -0.29 0.00 3.20 0.29 -3.10 116.97 116.60 2chw h TYR 720 Ca 0.57 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.51 2chw h TYR 720 Cb 1.16 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 2chw h TYR 720 CO -0.23 -0.42 0.26 -0.07 -1.64 0.00 0.00 178.16 176.07 2chw h LEU 721 N -0.80 0.00 0.00 2.82 3.38 -0.18 0.57 115.31 121.10 2chw h LEU 721 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2chw h LEU 721 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2chw h LEU 721 CO 0.13 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.20 2chw n ARG 722 N -4.03 0.88 0.00 1.13 1.74 -0.97 -3.63 116.66 111.77 2chw n ARG 722 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2chw n ARG 722 Cb 0.41 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2chw n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2chw n GLY 723 N 0.70 0.00 0.27 -0.13 0.00 0.19 -4.82 105.19 101.40 2chw n GLY 723 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2chw n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chw n GLY 725 N -0.90 2.31 0.20 0.00 0.00 -1.26 -4.63 105.19 100.91 2chw n GLY 725 Ca -0.02 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 2chw n GLY 725 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2chw h THR 726 N 0.00 0.54 -0.23 2.61 1.35 -1.51 -2.31 112.91 113.37 2chw h THR 726 Ca 0.00 -0.02 0.05 0.00 -0.55 0.00 0.00 66.41 65.89 2chw h THR 726 Cb 0.00 0.49 -0.05 0.00 -1.73 0.00 0.00 68.15 66.85 2chw h THR 726 CO 0.00 0.01 -0.11 0.00 -0.25 0.00 0.00 175.52 175.17 2chw h ALA 727 N 1.48 0.08 -0.55 6.62 0.00 -1.78 -2.08 119.26 123.03 2chw h ALA 727 Ca 0.25 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2chw h ALA 727 Cb 0.39 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2chw h ALA 727 CO -0.48 -0.52 0.05 0.52 0.00 0.00 0.00 179.25 178.82 2chw h MET 728 N -0.08 0.93 -0.62 0.00 2.07 -1.69 -1.59 114.93 113.95 2chw h MET 728 Ca 0.12 -0.27 0.10 0.00 -2.07 0.00 0.00 59.70 57.58 2chw h MET 728 Cb 0.26 -0.10 -0.07 0.00 -1.87 0.00 0.00 31.60 29.82 2chw h MET 728 CO -0.28 0.92 0.23 -0.07 1.07 0.00 0.00 176.91 178.78 2chw h LEU 729 N 0.82 0.22 -0.81 1.22 3.38 -1.34 -0.44 115.31 118.36 2chw h LEU 729 Ca 0.16 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.34 2chw h LEU 729 Cb 0.46 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2chw h LEU 729 CO 0.02 0.13 0.42 -0.74 0.09 0.00 0.00 178.44 178.35 2chw h HIS 730 N 0.41 0.74 -0.01 1.13 -0.00 -0.59 0.45 115.15 117.27 2chw h HIS 730 Ca 0.32 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 2chw h HIS 730 Cb 0.40 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2chw h HIS 730 CO -0.17 0.22 -0.05 -0.44 -0.00 0.00 0.00 177.93 177.49 2chw h ASP 731 N 0.65 0.07 -0.62 3.26 3.32 -0.44 -2.35 116.42 120.30 2chw h ASP 731 Ca 0.42 -0.62 0.09 0.00 0.02 0.00 0.00 57.03 56.94 2chw h ASP 731 Cb 0.52 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 2chw h ASP 731 CO -0.32 0.68 0.24 -0.26 -1.72 0.00 0.00 179.24 177.86 2chw h PHE 732 N -0.54 0.42 -0.33 4.55 0.05 -1.00 0.34 116.94 120.42 2chw h PHE 732 Ca -0.00 0.03 0.07 0.00 3.82 0.00 0.00 57.97 61.89 2chw h PHE 732 Cb 0.67 -0.09 -0.08 0.00 2.00 0.00 0.00 35.95 38.44 2chw h PHE 732 CO 0.14 0.11 -0.30 1.15 -0.18 0.00 0.00 178.31 179.23 2chw h THR 733 N 0.42 0.28 0.00 -1.55 2.02 -0.80 0.53 112.91 113.82 2chw h THR 733 Ca 0.31 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 2chw h THR 733 Cb 0.38 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2chw h THR 733 CO -0.30 0.00 -0.13 0.06 0.37 0.00 0.00 175.52 175.52 2chw h GLN 734 N -0.26 0.00 -0.20 6.66 3.07 -0.83 -2.27 115.11 121.29 2chw h GLN 734 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.87 2chw h GLN 734 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2chw h GLN 734 CO -0.48 0.13 -0.00 1.96 0.09 0.00 0.00 178.83 180.53 2chw h GLN 735 N 0.00 0.35 -0.30 0.06 4.20 0.50 -2.74 115.11 117.18 2chw h GLN 735 Ca -0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2chw h GLN 735 Cb 0.94 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2chw h GLN 735 CO 0.02 0.55 0.17 0.28 -0.67 0.00 0.00 178.83 179.18 2chw h VAL 736 N 0.11 1.12 -0.78 -0.54 2.07 0.20 -2.46 116.25 115.96 2chw h VAL 736 Ca 0.06 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2chw h VAL 736 Cb 0.40 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2chw h VAL 736 CO 0.01 0.12 0.52 1.56 0.02 0.00 0.00 177.57 179.80 2chw h GLN 737 N 0.38 0.99 -0.27 1.57 4.20 -1.44 -0.75 115.11 119.79 2chw h GLN 737 Ca 0.11 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2chw h GLN 737 Cb 0.04 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2chw h GLN 737 CO -0.02 0.65 -0.03 0.28 -0.67 0.00 0.00 178.83 179.05 2chw h VAL 738 N 1.02 1.27 -0.00 -0.54 2.07 -1.24 -2.37 116.25 116.46 2chw h VAL 738 Ca 0.30 -0.99 -0.23 0.00 0.82 0.00 0.00 66.70 66.59 2chw h VAL 738 Cb -0.05 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2chw h VAL 738 CO -0.07 0.31 -0.96 0.16 0.02 0.00 0.00 177.57 177.03 2chw h ILE 739 N 0.26 1.38 -0.66 4.57 -2.65 -0.95 -0.53 117.51 118.93 2chw h ILE 739 Ca 0.07 -2.41 0.05 0.00 1.03 0.00 0.00 64.86 63.60 2chw h ILE 739 Cb 0.47 2.41 -0.05 0.00 -2.05 0.00 0.00 36.82 37.60 2chw h ILE 739 CO 0.02 0.72 0.38 -0.33 0.03 0.00 0.00 178.15 178.97 2chw h GLU 740 N 0.26 0.69 0.08 0.16 5.08 -1.23 -0.53 114.58 119.10 2chw h GLU 740 Ca -0.09 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2chw h GLU 740 Cb 1.60 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2chw h GLU 740 CO 0.17 0.46 -0.15 0.52 -1.00 0.00 0.00 179.01 179.00 2chw h MET 741 N 0.71 -0.29 0.00 2.33 2.86 -1.26 -2.55 114.93 116.73 2chw h MET 741 Ca 0.29 0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.83 2chw h MET 741 Cb 0.14 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2chw h MET 741 CO -0.16 -0.19 -0.56 -0.07 1.06 0.00 0.00 176.91 176.98 2chw h LEU 742 N -0.30 0.00 -0.34 1.22 3.38 -0.79 -2.57 115.31 115.91 2chw h LEU 742 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2chw h LEU 742 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2chw h LEU 742 CO -0.09 0.56 0.02 1.56 0.09 0.00 0.00 178.44 180.58 2chw h GLN 743 N 0.00 0.59 -0.77 1.13 4.20 -1.10 -0.93 115.11 118.23 2chw h GLN 743 Ca -0.01 -0.18 0.13 0.00 0.06 0.00 0.00 58.65 58.65 2chw h GLN 743 Cb 1.07 -0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.66 2chw h GLN 743 CO 0.07 0.70 -0.36 0.87 -0.67 0.00 0.00 178.83 179.44 2chw h LYS 744 N 0.40 -0.09 -0.73 1.46 1.57 -1.05 0.88 116.57 119.01 2chw h LYS 744 Ca 0.10 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2chw h LYS 744 Cb 0.42 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2chw h LYS 744 CO 0.01 -0.06 0.26 0.28 -0.57 0.00 0.00 179.45 179.37 2chw h VAL 745 N -0.09 1.26 0.07 0.50 2.07 -1.33 -1.42 116.25 117.30 2chw h VAL 745 Ca 0.28 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2chw h VAL 745 Cb 0.57 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2chw h VAL 745 CO -0.81 0.34 -0.07 0.74 0.02 0.00 0.00 177.57 177.78 2chw h THR 746 N 1.07 0.83 -0.30 2.57 2.02 0.50 -1.69 112.91 117.91 2chw h THR 746 Ca 0.24 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 2chw h THR 746 Cb 0.26 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2chw h THR 746 CO -0.01 0.00 0.17 -0.07 0.37 0.00 0.00 175.52 175.97 2chw h LEU 747 N -0.16 0.37 -0.22 2.58 3.38 -0.69 -2.40 115.31 118.18 2chw h LEU 747 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2chw h LEU 747 Cb 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2chw h LEU 747 CO -0.03 0.35 0.14 0.44 0.09 0.00 0.00 178.44 179.44 2chw h ASP 748 N 0.37 0.25 -0.98 -0.43 3.32 -1.18 -2.12 116.42 115.66 2chw h ASP 748 Ca 0.11 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.25 2chw h ASP 748 Cb 0.06 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.47 2chw h ASP 748 CO -0.02 0.18 0.62 0.40 -1.72 0.00 0.00 179.24 178.71 2chw h ILE 749 N 0.29 0.98 -0.29 0.35 5.03 -1.26 -2.12 117.51 120.48 2chw h ILE 749 Ca 0.08 -0.35 -0.08 0.00 -0.12 0.00 0.00 64.86 64.39 2chw h ILE 749 Cb -0.03 -0.13 -0.02 0.00 -3.03 0.00 0.00 36.82 33.62 2chw h ILE 749 CO -0.02 0.19 -0.15 0.50 -0.68 0.00 0.00 178.15 177.99 2chw h LYS 750 N 1.02 0.51 -0.07 2.37 3.64 -0.88 -2.56 116.57 120.59 2chw h LYS 750 Ca 0.46 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2chw h LYS 750 Cb 0.38 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2chw h LYS 750 CO -0.22 0.65 -0.28 0.77 -2.27 0.00 0.00 179.45 178.10 2chw h SER 751 N 0.47 0.13 0.92 4.20 0.02 -0.76 -3.26 113.55 115.26 2chw h SER 751 Ca 0.08 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2chw h SER 751 Cb 0.53 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2chw h SER 751 CO 0.03 0.42 0.00 0.18 -1.14 0.00 0.00 176.83 176.32 2chw n LEU 752 N -4.16 0.00 -4.42 5.07 4.77 -0.96 -4.77 117.00 112.52 2chw n LEU 752 Ca -0.01 0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 56.16 2chw n LEU 752 Cb 0.36 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.81 2chw n LEU 752 CO 0.39 -0.04 -0.51 -0.44 -1.33 0.00 0.00 177.39 175.46 2chw s SER 753 N -3.00 3.62 0.83 -1.43 0.01 -1.23 -5.01 113.70 107.50 2chw s SER 753 Ca 0.13 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2chw s SER 753 Cb 0.17 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2chw s SER 753 CO 0.49 0.28 0.00 0.00 0.41 0.00 0.00 173.24 174.42 2chw n ALA 754 N 1.82 0.00 -0.14 1.44 0.00 -1.26 -4.96 120.51 117.40 2chw n ALA 754 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 2chw n ALA 754 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 2chw n ALA 754 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2chw h GLU 755 N 0.00 0.62 -5.22 0.00 4.39 -1.98 -3.39 114.58 109.00 2chw h GLU 755 Ca 0.00 -0.11 -0.46 0.00 0.34 0.00 0.00 59.36 59.13 2chw h GLU 755 Cb 0.00 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 2chw h GLU 755 CO 0.00 0.58 1.68 1.17 -1.16 0.00 0.00 179.01 181.27 2chw n LYS 756 N -4.63 0.37 -3.12 2.33 3.00 -1.26 -4.79 118.16 110.06 2chw n LYS 756 Ca 0.00 -0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 57.87 2chw n LYS 756 Cb 0.15 -2.21 -0.07 0.00 0.00 0.00 0.00 35.03 32.90 2chw n LYS 756 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2chw s TYR 757 N 9.79 3.19 0.00 5.64 -0.85 -1.26 -4.84 117.35 129.02 2chw s TYR 757 Ca 1.21 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 58.26 2chw s TYR 757 Cb -0.83 -3.04 0.00 0.00 0.38 0.00 0.00 41.96 38.47 2chw s TYR 757 CO 0.40 -0.53 0.00 -0.40 -1.52 0.00 0.00 175.55 173.51 2chw n ASP 758 N 5.93 0.00 -2.63 -0.18 5.68 -1.26 -4.81 116.55 119.28 2chw n ASP 758 Ca -0.01 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.21 2chw n ASP 758 Cb 0.49 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.50 2chw n ASP 758 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2chw n VAL 759 N -1.49 -6.71 -2.17 2.12 0.31 -1.26 -4.89 118.33 104.24 2chw n VAL 759 Ca 0.00 -0.68 -0.40 0.00 -0.01 0.00 0.00 64.34 63.25 2chw n VAL 759 Cb 0.00 -5.51 -0.02 0.00 -0.91 0.00 0.00 33.84 27.40 2chw n VAL 759 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2chw s SER 760 N -3.08 6.71 0.44 4.52 1.04 -1.26 -4.82 113.70 117.25 2chw s SER 760 Ca 0.22 2.58 0.35 0.00 0.48 0.00 0.00 55.95 59.58 2chw s SER 760 Cb -0.03 -2.64 1.45 0.00 0.10 0.00 0.00 66.02 64.90 2chw s SER 760 CO 0.50 -0.57 1.44 -1.54 0.98 0.00 0.00 173.24 174.05 2chw n SER 761 N 0.61 0.13 -0.00 7.02 3.41 -1.26 0.22 113.62 123.75 2chw n SER 761 Ca 0.01 1.16 0.05 0.00 -0.26 0.00 0.00 58.87 59.83 2chw n SER 761 Cb 0.43 -0.57 0.44 0.00 -0.26 0.00 0.00 64.21 64.25 2chw n SER 761 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2chw h GLN 762 N 0.00 0.51 0.10 4.33 4.15 -2.00 -2.14 115.11 120.05 2chw h GLN 762 Ca 0.83 -0.03 -0.26 0.00 0.77 0.00 0.00 58.65 59.96 2chw h GLN 762 Cb 2.91 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 30.49 2chw h GLN 762 CO -0.29 0.33 -1.16 -0.24 -1.93 0.00 0.00 178.83 175.54 2chw h VAL 763 N 0.52 1.46 -0.33 2.39 3.04 0.24 -2.68 116.25 120.89 2chw h VAL 763 Ca 0.16 -2.86 -0.04 0.00 -1.01 0.00 0.00 66.70 62.95 2chw h VAL 763 Cb 0.02 2.80 -0.02 0.00 -2.01 0.00 0.00 31.29 32.08 2chw h VAL 763 CO -0.04 0.84 0.03 0.40 -1.01 0.00 0.00 177.57 177.79 2chw h ILE 764 N 0.12 1.18 0.24 3.17 2.04 -1.55 -1.58 117.51 121.13 2chw h ILE 764 Ca -0.12 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2chw h ILE 764 Cb 1.86 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2chw h ILE 764 CO 0.20 0.24 -0.24 -1.28 0.00 0.00 0.00 178.15 177.06 2chw h SER 765 N 0.48 -0.65 -0.66 1.72 0.87 -1.33 -2.11 113.55 111.88 2chw h SER 765 Ca 0.11 0.05 0.13 0.00 -1.23 0.00 0.00 61.79 60.85 2chw h SER 765 Cb 0.27 0.21 -0.12 0.00 -0.44 0.00 0.00 62.40 62.32 2chw h SER 765 CO 0.00 -0.32 -0.14 1.56 -0.53 0.00 0.00 176.83 177.41 2chw h GLN 766 N -0.48 0.01 0.12 2.24 7.50 -1.14 -2.27 115.11 121.10 2chw h GLN 766 Ca -0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 2chw h GLN 766 Cb 0.41 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.94 2chw h GLN 766 CO -0.03 0.01 -0.06 1.25 -1.50 0.00 0.00 178.83 178.50 2chw h LEU 767 N 0.02 -0.14 -0.23 1.46 6.46 -1.29 -0.90 115.31 120.68 2chw h LEU 767 Ca 0.32 -0.11 0.05 0.00 -0.12 0.00 0.00 57.88 58.02 2chw h LEU 767 Cb 0.50 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 2chw h LEU 767 CO -0.66 0.02 -0.12 0.11 -0.62 0.00 0.00 178.44 177.18 2chw h LYS 768 N -0.30 -0.09 -0.06 1.25 1.79 -1.04 -2.35 116.57 115.77 2chw h LYS 768 Ca -0.02 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2chw h LYS 768 Cb 0.24 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2chw h LYS 768 CO 0.03 -0.06 0.03 0.37 -1.08 0.00 0.00 179.45 178.73 2chw h GLN 769 N -0.09 0.08 -0.81 3.15 -0.00 -1.31 -2.54 115.11 113.59 2chw h GLN 769 Ca 0.13 -0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.89 2chw h GLN 769 Cb 0.28 -0.01 -0.09 0.00 0.00 0.00 0.00 27.48 27.66 2chw h GLN 769 CO -0.29 0.18 0.42 0.87 0.00 0.00 0.00 178.83 180.01 2chw h LYS 770 N -0.03 0.62 -0.26 1.69 1.57 -0.96 -1.85 116.57 117.35 2chw h LYS 770 Ca 0.02 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 2chw h LYS 770 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2chw h LYS 770 CO -0.00 0.41 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.72 2chw h LEU 771 N 0.64 0.78 -0.77 2.94 3.38 -1.28 -1.66 115.31 119.34 2chw h LEU 771 Ca 0.43 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2chw h LEU 771 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2chw h LEU 771 CO -0.33 1.14 -0.45 1.05 0.09 0.00 0.00 178.44 179.94 2chw h GLU 772 N 0.56 0.37 -0.15 1.13 4.11 -1.07 0.15 114.58 119.68 2chw h GLU 772 Ca 0.02 -0.20 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2chw h GLU 772 Cb 1.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2chw h GLU 772 CO 0.10 0.75 0.09 -0.97 0.07 0.00 0.00 179.01 179.06 2chw h ASN 773 N 0.30 0.18 -0.17 3.06 -0.00 -1.29 -3.09 115.58 114.58 2chw h ASN 773 Ca 0.02 -0.03 -0.09 0.00 -0.00 0.00 0.00 56.30 56.20 2chw h ASN 773 Cb 0.92 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 39.18 2chw h ASN 773 CO 0.08 0.16 -0.17 -0.07 -0.00 0.00 0.00 177.43 177.43 2chw h LEU 774 N 0.18 0.56 -0.93 0.34 3.38 -1.04 -3.26 115.31 114.55 2chw h LEU 774 Ca 0.05 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.00 2chw h LEU 774 Cb 0.01 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.52 2chw h LEU 774 CO -0.01 0.75 0.54 -0.61 0.09 0.00 0.00 178.44 179.20 2chw h GLN 775 N 0.52 0.77 0.00 1.13 5.75 -0.61 -1.97 115.11 120.70 2chw h GLN 775 Ca 0.09 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2chw h GLN 775 Cb 0.58 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2chw h GLN 775 CO 0.04 0.51 0.00 0.09 -2.65 0.00 0.00 178.83 176.82 2chw n ASN 776 N -4.75 0.00 0.00 -0.69 4.13 -1.23 -4.54 115.26 108.18 2chw n ASN 776 Ca 0.18 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.49 2chw n ASN 776 Cb 0.41 0.00 0.24 0.00 -1.54 0.00 0.00 39.78 38.90 2chw n ASN 776 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2chw n SER 777 N 0.00 0.00 0.03 6.41 7.64 -1.26 -3.90 113.62 122.54 2chw n SER 777 Ca 0.00 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.92 2chw n SER 777 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2chw n SER 777 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2chw n GLN 778 N -0.71 0.00 -2.11 1.43 3.00 -1.24 -5.04 117.38 112.71 2chw n GLN 778 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 2chw n GLN 778 Cb 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 30.24 29.75 2chw n GLN 778 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2chw s LEU 779 N -6.65 4.30 0.55 1.08 2.96 -0.74 -4.98 118.68 115.20 2chw s LEU 779 Ca 0.00 2.13 -0.18 0.00 -0.22 0.00 0.00 54.13 55.86 2chw s LEU 779 Cb 0.00 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 2chw s LEU 779 CO 0.00 -0.87 0.23 -2.65 -1.32 0.00 0.00 176.35 171.74 2chw n PRO 780 N 6.71 0.27 -0.24 0.98 -0.02 -1.26 -4.85 135.00 136.59 2chw n PRO 780 Ca 0.16 0.11 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 2chw n PRO 780 Cb 0.43 -1.39 0.15 0.00 -0.02 0.00 0.00 33.50 32.67 2chw n PRO 780 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2chw h GLU 781 N 0.10 0.50 -3.19 -0.52 4.39 -1.95 -3.46 114.58 110.45 2chw h GLU 781 Ca -0.44 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 2chw h GLU 781 Cb 1.42 -0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.86 2chw h GLU 781 CO 0.44 0.33 0.10 -1.54 -1.16 0.00 0.00 179.01 177.18 2chw s SER 782 N -5.42 -0.32 -0.07 1.42 1.04 -1.26 -4.40 113.70 104.69 2chw s SER 782 Ca -0.13 -0.41 -0.25 0.00 0.48 0.00 0.00 55.95 55.65 2chw s SER 782 Cb 0.19 0.61 0.06 0.00 0.10 0.00 0.00 66.02 66.98 2chw s SER 782 CO 0.76 -1.09 0.57 0.72 0.98 0.00 0.00 173.24 175.17 2chw s PHE 783 N -3.86 -0.53 0.27 5.02 -0.71 -0.08 -4.93 117.98 113.16 2chw s PHE 783 Ca 0.08 0.98 -0.30 0.00 -1.04 0.00 0.00 56.93 56.66 2chw s PHE 783 Cb -0.02 0.29 -0.10 0.00 -1.21 0.00 0.00 43.02 41.98 2chw s PHE 783 CO -0.03 -0.50 1.41 1.03 -1.34 0.00 0.00 175.22 175.79 2chw s ARG 784 N -0.96 4.28 -0.42 1.99 0.52 -1.26 0.52 118.95 123.63 2chw s ARG 784 Ca -0.10 2.29 -0.29 0.00 -0.52 0.00 0.00 55.73 57.11 2chw s ARG 784 Cb -0.02 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.38 2chw s ARG 784 CO 0.07 -0.36 1.15 0.08 0.02 0.00 0.00 175.30 176.25 2chw s VAL 785 N -0.33 4.26 0.34 3.52 1.01 -0.34 -4.87 120.40 124.00 2chw s VAL 785 Ca 0.56 1.35 0.14 0.00 0.00 0.00 0.00 61.98 64.03 2chw s VAL 785 Cb -0.41 -4.50 0.36 0.00 0.00 0.00 0.00 36.38 31.82 2chw s VAL 785 CO 0.46 -0.82 1.60 -0.65 0.00 0.00 0.00 175.10 175.69 2chw h PRO 786 N 9.02 0.08 -0.27 2.72 0.11 -1.92 -1.67 132.00 140.07 2chw h PRO 786 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2chw h PRO 786 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2chw h PRO 786 CO 1.09 0.06 0.00 2.48 -0.21 0.00 0.00 178.00 181.42 2chw n TYR 787 N -5.26 0.34 -2.99 0.65 0.18 -1.26 -4.40 117.16 104.41 2chw n TYR 787 Ca 0.32 -0.17 -0.12 0.00 1.88 0.00 0.00 57.90 59.81 2chw n TYR 787 Cb 1.06 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.99 2chw n TYR 787 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2chw s ASP 788 N -1.60 -0.40 0.00 9.48 -1.08 -0.64 -4.82 116.67 117.61 2chw s ASP 788 Ca 0.36 -2.22 0.05 0.00 -0.52 0.00 0.00 52.55 50.21 2chw s ASP 788 Cb 0.21 1.04 0.25 0.00 -1.46 0.00 0.00 42.92 42.96 2chw s ASP 788 CO 0.30 -0.10 0.97 -0.81 0.52 0.00 0.00 175.17 176.06 2chw n PRO 789 N 2.91 0.08 -0.05 4.34 -0.04 -1.15 -1.28 135.00 139.80 2chw n PRO 789 Ca 0.22 0.22 -0.14 0.00 -0.04 0.00 0.00 63.50 63.76 2chw n PRO 789 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2chw n PRO 789 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2chw h GLY 790 N 0.80 0.50 -5.25 0.55 0.00 -1.85 -3.45 103.07 94.36 2chw h GLY 790 Ca 0.00 -0.57 -0.57 0.00 0.00 0.00 0.00 47.33 46.19 2chw h GLY 790 CO 0.00 0.51 0.89 1.08 0.00 0.00 0.00 176.54 179.02 2chw s LEU 791 N -8.90 4.12 -0.32 3.11 1.43 -0.40 -1.77 118.68 115.93 2chw s LEU 791 Ca -0.14 1.54 -0.18 0.00 -1.03 0.00 0.00 54.13 54.32 2chw s LEU 791 Cb 0.06 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 2chw s LEU 791 CO 0.79 -0.79 0.53 -0.54 0.23 0.00 0.00 176.35 176.57 2chw s LYS 792 N 3.53 3.78 -0.01 1.70 -0.14 -1.26 -1.19 119.74 126.15 2chw s LYS 792 Ca 0.52 0.04 -0.12 0.00 -1.36 0.00 0.00 55.97 55.05 2chw s LYS 792 Cb -0.19 -3.76 -0.05 0.00 -1.68 0.00 0.00 37.83 32.15 2chw s LYS 792 CO 0.14 -0.56 0.35 0.00 -0.76 0.00 0.00 175.35 174.52 2chw s ALA 793 N 2.42 3.74 0.00 5.17 0.00 0.18 -2.19 121.76 131.08 2chw s ALA 793 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2chw s ALA 793 Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2chw s ALA 793 CO 0.12 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.82 2chw n GLY 794 N 1.64 0.66 3.81 0.00 0.00 0.58 -0.91 105.19 110.97 2chw n GLY 794 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2chw n GLY 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chw s ALA 795 N -2.85 3.35 0.27 4.61 0.00 -1.25 -4.60 121.76 121.29 2chw s ALA 795 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 2chw s ALA 795 Cb 0.00 -2.91 -0.13 0.00 0.00 0.00 0.00 23.12 20.08 2chw s ALA 795 CO 0.00 0.29 1.44 1.28 0.00 0.00 0.00 175.76 178.76 2chw n LEU 796 N 0.55 3.55 -3.86 0.00 4.77 -1.26 -0.79 117.00 119.96 2chw n LEU 796 Ca -0.01 1.16 -0.42 0.00 -0.03 0.00 0.00 56.01 56.71 2chw n LEU 796 Cb 0.51 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2chw n LEU 796 CO 0.43 -0.31 1.90 0.00 -1.33 0.00 0.00 177.39 178.08 2chw n ALA 797 N 1.65 5.43 -0.35 -1.18 0.00 -0.14 -4.85 120.51 121.07 2chw n ALA 797 Ca 0.09 -4.36 0.31 0.00 0.00 0.00 0.00 53.44 49.48 2chw n ALA 797 Cb 0.34 -2.91 0.53 0.00 0.00 0.00 0.00 19.45 17.41 2chw n ALA 797 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2chw n ILE 798 N 3.04 -0.24 0.24 0.00 5.41 -1.26 0.27 119.36 126.82 2chw n ILE 798 Ca 0.39 1.51 0.12 0.00 1.00 0.00 0.00 62.75 65.77 2chw n ILE 798 Cb 0.35 -2.47 0.58 0.00 -0.71 0.00 0.00 39.64 37.39 2chw n ILE 798 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2chw h GLU 799 N 0.00 0.00 0.00 0.38 3.07 -1.97 -3.10 114.58 112.96 2chw h GLU 799 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 2chw h GLU 799 Cb 2.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.08 2chw h GLU 799 CO -0.44 0.16 -1.13 1.63 -1.40 0.00 0.00 179.01 177.83 2chw n LYS 800 N -3.41 0.53 -2.17 2.33 5.02 0.14 -4.91 118.16 115.70 2chw n LYS 800 Ca -0.00 0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2chw n LYS 800 Cb 0.35 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 2chw n LYS 800 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2chw n LYS 802 N 2.63 0.00 -3.87 0.00 2.85 -0.40 -4.96 118.16 114.41 2chw n LYS 802 Ca 0.07 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.21 2chw n LYS 802 Cb 0.42 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.68 2chw n LYS 802 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2chw s VAL 803 N -2.38 0.03 0.29 0.58 1.01 -1.26 -1.84 120.40 116.83 2chw s VAL 803 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2chw s VAL 803 Cb 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 2chw s VAL 803 CO 0.00 -0.13 1.05 -0.32 0.00 0.00 0.00 175.10 175.70 2chw s MET 804 N -0.37 4.61 -1.23 2.72 1.75 -1.03 -4.95 119.30 120.80 2chw s MET 804 Ca -0.04 1.67 -0.20 0.00 -1.25 0.00 0.00 55.69 55.86 2chw s MET 804 Cb -0.03 -3.09 -0.02 0.00 2.84 0.00 0.00 34.83 34.53 2chw s MET 804 CO 0.00 0.23 1.85 0.00 -0.65 0.00 0.00 175.02 176.46 2chw n ALA 805 N 1.03 2.71 -3.47 4.11 0.00 -1.26 -4.69 120.51 118.94 2chw n ALA 805 Ca -0.00 -3.42 -0.17 0.00 0.00 0.00 0.00 53.44 49.85 2chw n ALA 805 Cb 0.46 -3.54 -0.06 0.00 0.00 0.00 0.00 19.45 16.31 2chw n ALA 805 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2chw s SER 806 N 5.36 -0.60 0.20 0.00 0.15 -1.26 -4.89 113.70 112.66 2chw s SER 806 Ca 0.61 0.56 -0.11 0.00 0.70 0.00 0.00 55.95 57.71 2chw s SER 806 Cb 0.02 0.52 0.26 0.00 -1.71 0.00 0.00 66.02 65.12 2chw s SER 806 CO 0.11 -0.64 1.71 0.11 1.20 0.00 0.00 173.24 175.73 2chw h LYS 807 N 2.95 0.26 -6.87 5.44 1.57 -1.89 -3.35 116.57 114.69 2chw h LYS 807 Ca -0.28 -0.02 -0.47 0.00 -1.87 0.00 0.00 60.65 58.01 2chw h LYS 807 Cb 1.16 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2chw h LYS 807 CO 0.39 0.17 0.24 0.15 -0.57 0.00 0.00 179.45 179.84 2chw s LYS 808 N -6.12 4.23 -0.62 3.15 1.02 -1.26 -4.99 119.74 115.15 2chw s LYS 808 Ca -0.13 1.00 0.05 0.00 0.02 0.00 0.00 55.97 56.91 2chw s LYS 808 Cb 0.17 -2.45 0.16 0.00 -0.52 0.00 0.00 37.83 35.19 2chw s LYS 808 CO 0.74 0.13 0.43 0.15 -0.92 0.00 0.00 175.35 175.88 2chw s LYS 809 N -2.76 2.10 0.37 1.68 -0.14 -1.26 -4.88 119.74 114.86 2chw s LYS 809 Ca 0.55 -3.00 -0.25 0.00 -1.36 0.00 0.00 55.97 51.91 2chw s LYS 809 Cb -0.12 -3.04 -0.09 0.00 -1.68 0.00 0.00 37.83 32.90 2chw s LYS 809 CO 0.17 -1.27 1.06 -1.25 -0.76 0.00 0.00 175.35 173.30 2chw s PRO 810 N -0.99 4.27 0.35 -1.68 0.04 -1.26 -4.62 135.00 131.11 2chw s PRO 810 Ca 0.25 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.62 2chw s PRO 810 Cb -0.07 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 2chw s PRO 810 CO -0.14 -0.06 1.00 -0.51 0.04 0.00 0.00 177.00 177.33 2chw s LEU 811 N -2.35 4.28 -0.31 -3.56 1.02 0.76 -2.46 118.68 116.06 2chw s LEU 811 Ca 0.55 1.96 -0.02 0.00 0.02 0.00 0.00 54.13 56.63 2chw s LEU 811 Cb -0.25 -4.05 0.05 0.00 0.02 0.00 0.00 46.19 41.97 2chw s LEU 811 CO 0.31 -0.24 0.02 0.86 0.02 0.00 0.00 176.35 177.31 2chw s TRP 812 N -1.59 3.29 0.02 0.29 -0.11 -0.77 -1.70 118.94 118.37 2chw s TRP 812 Ca 0.53 -1.89 0.07 0.00 1.22 0.00 0.00 56.10 56.02 2chw s TRP 812 Cb -0.21 -2.19 -0.03 0.00 -1.50 0.00 0.00 33.47 29.54 2chw s TRP 812 CO 0.27 -0.81 -0.20 -0.51 -4.62 0.00 0.00 176.95 171.07 2chw s LEU 813 N 1.25 2.46 -0.01 5.86 1.43 0.31 -1.28 118.68 128.70 2chw s LEU 813 Ca -0.04 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2chw s LEU 813 Cb -0.20 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2chw s LEU 813 CO -0.01 0.28 -0.11 -1.61 0.23 0.00 0.00 176.35 175.13 2chw s GLU 814 N -1.19 0.99 0.10 1.70 2.02 -1.26 -0.53 118.70 120.53 2chw s GLU 814 Ca 0.13 -0.40 0.08 0.00 0.02 0.00 0.00 54.97 54.80 2chw s GLU 814 Cb -0.10 -0.94 -0.03 0.00 0.10 0.00 0.00 34.13 33.16 2chw s GLU 814 CO 0.03 0.21 -0.20 -0.06 0.02 0.00 0.00 175.26 175.27 2chw s PHE 815 N -0.14 1.71 0.57 1.61 0.40 0.18 -0.97 117.98 121.34 2chw s PHE 815 Ca 0.02 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.83 2chw s PHE 815 Cb -0.06 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 2chw s PHE 815 CO -0.00 0.20 0.94 0.15 0.70 0.00 0.00 175.22 177.21 2chw s LYS 816 N -1.99 3.59 -0.44 0.44 1.02 0.03 0.90 119.74 123.28 2chw s LYS 816 Ca 0.06 0.56 -0.17 0.00 0.02 0.00 0.00 55.97 56.45 2chw s LYS 816 Cb -0.09 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 35.06 2chw s LYS 816 CO 0.04 -0.43 0.43 0.00 -0.92 0.00 0.00 175.35 174.47 2chw h ALA 818 N 8.75 1.76 -2.34 0.00 0.00 -1.69 -3.40 119.26 122.34 2chw h ALA 818 Ca -0.27 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.01 2chw h ALA 818 Cb 1.11 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 2chw h ALA 818 CO 0.82 -0.72 0.14 0.34 0.00 0.00 0.00 179.25 179.83 2chw s ASP 819 N -3.82 6.44 0.47 0.00 -1.08 -1.26 -4.92 116.67 112.49 2chw s ASP 819 Ca -0.02 0.20 0.26 0.00 -0.52 0.00 0.00 52.55 52.47 2chw s ASP 819 Cb 0.06 -2.32 1.12 0.00 -1.46 0.00 0.00 42.92 40.32 2chw s ASP 819 CO 0.19 -0.57 1.91 1.55 0.52 0.00 0.00 175.17 178.78 2chw h PRO 820 N 8.41 0.00 0.00 4.34 0.13 -1.98 -1.96 132.00 140.94 2chw h PRO 820 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2chw h PRO 820 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2chw h PRO 820 CO 0.83 0.18 0.00 0.25 -0.23 0.00 0.00 178.00 179.03 2chw n THR 821 N -3.44 0.00 -1.64 1.56 -2.24 -1.26 -4.80 114.28 102.46 2chw n THR 821 Ca -0.00 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.30 2chw n THR 821 Cb 0.36 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 2chw n THR 821 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2chw n ALA 822 N -0.99 1.12 -0.02 6.98 0.00 -0.74 -3.73 120.51 123.13 2chw n ALA 822 Ca 0.19 0.15 0.23 0.00 0.00 0.00 0.00 53.44 54.01 2chw n ALA 822 Cb 0.09 -2.59 0.72 0.00 0.00 0.00 0.00 19.45 17.67 2chw n ALA 822 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2chw h LEU 823 N 10.68 0.00 0.00 0.00 5.85 -1.87 -3.44 115.31 126.52 2chw h LEU 823 Ca -0.45 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.05 2chw h LEU 823 Cb 1.27 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2chw h LEU 823 CO 0.96 0.00 -0.13 -0.24 -0.34 0.00 0.00 178.44 178.69 2chw n SER 824 N -4.05 1.98 -0.20 1.25 2.88 -1.26 -5.06 113.62 109.16 2chw n SER 824 Ca 0.12 -1.72 0.02 0.00 -1.33 0.00 0.00 58.87 55.97 2chw n SER 824 Cb 0.74 0.04 0.03 0.00 -0.75 0.00 0.00 64.21 64.28 2chw n SER 824 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2chw n ASN 825 N -1.60 0.90 -4.78 -3.46 4.13 -1.26 -5.08 115.26 104.11 2chw n ASN 825 Ca -0.04 -2.04 -0.37 0.00 1.68 0.00 0.00 54.58 53.82 2chw n ASN 825 Cb 0.22 -0.18 -0.04 0.00 -1.54 0.00 0.00 39.78 38.25 2chw n ASN 825 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2chw s GLU 826 N -0.87 4.21 0.53 3.52 2.02 -1.26 -5.00 118.70 121.85 2chw s GLU 826 Ca 0.08 1.60 -0.14 0.00 0.02 0.00 0.00 54.97 56.52 2chw s GLU 826 Cb 0.07 -2.65 -0.07 0.00 0.10 0.00 0.00 34.13 31.59 2chw s GLU 826 CO 0.01 -0.12 0.98 0.95 0.02 0.00 0.00 175.26 177.09 2chw s THR 827 N -1.55 4.61 -0.34 3.63 -4.23 -1.26 -4.75 115.64 111.74 2chw s THR 827 Ca 0.56 1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 61.91 2chw s THR 827 Cb -0.25 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2chw s THR 827 CO 0.31 -0.81 0.68 -0.63 -0.54 0.00 0.00 174.62 173.63 2chw s ILE 828 N -2.76 4.86 -0.16 2.99 1.01 0.26 -4.84 121.20 122.55 2chw s ILE 828 Ca 0.57 0.75 -0.12 0.00 0.00 0.00 0.00 60.65 61.84 2chw s ILE 828 Cb -0.10 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 2chw s ILE 828 CO 0.38 -0.30 0.24 -0.83 0.00 0.00 0.00 174.94 174.43 2chw s GLY 829 N 1.76 2.16 -0.05 6.18 0.00 -1.26 0.49 107.32 116.60 2chw s GLY 829 Ca 0.27 -0.53 0.01 0.00 0.00 0.00 0.00 44.72 44.47 2chw s GLY 829 CO 0.14 0.29 -0.07 -0.42 0.00 0.00 0.00 173.10 173.04 2chw s ILE 830 N 0.30 0.73 -0.20 0.90 1.01 0.31 -1.71 121.20 122.54 2chw s ILE 830 Ca 0.14 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.41 2chw s ILE 830 Cb -0.12 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2chw s ILE 830 CO 0.02 0.27 0.30 -0.63 0.00 0.00 0.00 174.94 174.90 2chw s ILE 831 N 0.82 5.28 -0.15 2.92 1.01 0.81 -0.53 121.20 131.36 2chw s ILE 831 Ca -0.12 0.51 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 2chw s ILE 831 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2chw s ILE 831 CO 0.01 0.32 -0.00 -0.36 0.00 0.00 0.00 174.94 174.91 2chw s PHE 832 N 0.98 3.12 -0.08 3.97 0.40 -0.69 -0.85 117.98 124.83 2chw s PHE 832 Ca 0.15 -0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.36 2chw s PHE 832 Cb -0.14 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.48 2chw s PHE 832 CO 0.06 0.15 0.20 0.21 0.70 0.00 0.00 175.22 176.53 2chw s LYS 833 N 0.05 0.19 -0.07 0.44 2.20 -0.51 -0.17 119.74 121.86 2chw s LYS 833 Ca 0.02 0.38 0.04 0.00 -0.36 0.00 0.00 55.97 56.06 2chw s LYS 833 Cb -0.13 -0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.14 2chw s LYS 833 CO 0.02 -0.11 -0.19 -1.58 -0.36 0.00 0.00 175.35 173.13 2chw s HIS 834 N 0.76 2.60 0.00 4.03 5.65 -1.26 -1.25 115.29 125.82 2chw s HIS 834 Ca -0.05 -0.55 0.00 0.00 0.25 0.00 0.00 55.06 54.70 2chw s HIS 834 Cb -0.07 -1.66 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 2chw s HIS 834 CO -0.04 -0.11 0.00 0.41 -0.65 0.00 0.00 174.74 174.35 2chw n GLY 835 N 2.91 4.39 3.87 1.59 0.00 0.76 -4.63 105.19 114.09 2chw n GLY 835 Ca -0.18 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 2chw n GLY 835 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2chw s ASP 836 N 0.00 6.61 -1.10 1.61 1.01 -1.25 -4.98 116.67 118.56 2chw s ASP 836 Ca 0.00 0.75 -0.22 0.00 0.71 0.00 0.00 52.55 53.79 2chw s ASP 836 Cb 0.00 -2.16 0.05 0.00 1.01 0.00 0.00 42.92 41.82 2chw s ASP 836 CO 0.00 0.14 1.57 -0.62 0.21 0.00 0.00 175.17 176.48 2chw s ASP 837 N -1.90 6.51 0.00 0.27 -1.08 -1.26 -4.09 116.67 115.12 2chw s ASP 837 Ca 0.35 -1.73 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 2chw s ASP 837 Cb -0.13 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2chw s ASP 837 CO 0.19 -1.50 0.79 0.18 0.52 0.00 0.00 175.17 175.36 2chw n LEU 838 N 9.09 0.00 -0.07 -1.34 4.32 -1.26 -1.48 117.00 126.26 2chw n LEU 838 Ca 0.38 0.31 -0.07 0.00 -0.02 0.00 0.00 56.01 56.62 2chw n LEU 838 Cb 0.49 -0.31 0.11 0.00 -1.62 0.00 0.00 43.42 42.09 2chw n LEU 838 CO 0.69 -0.31 0.72 0.03 -1.22 0.00 0.00 177.39 177.30 2chw h ARG 839 N 0.00 0.73 -0.34 3.23 3.08 -1.92 -1.68 114.38 117.47 2chw h ARG 839 Ca 0.00 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 2chw h ARG 839 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2chw h ARG 839 CO 0.00 0.88 0.15 1.96 -1.07 0.00 0.00 179.97 181.89 2chw h GLN 840 N 0.64 0.51 -0.92 0.04 4.20 -1.48 -2.08 115.11 116.02 2chw h GLN 840 Ca 0.09 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2chw h GLN 840 Cb 0.70 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 2chw h GLN 840 CO 0.05 0.49 0.60 -0.44 -0.67 0.00 0.00 178.83 178.86 2chw h ASP 841 N 0.41 0.99 -0.40 1.46 5.19 -1.61 -1.20 116.42 121.27 2chw h ASP 841 Ca 0.12 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 2chw h ASP 841 Cb 0.16 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2chw h ASP 841 CO -0.01 0.68 0.25 0.24 -3.12 0.00 0.00 179.24 177.28 2chw h MET 842 N 1.16 0.53 -0.15 3.56 2.86 -0.82 -0.66 114.93 121.41 2chw h MET 842 Ca 0.37 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2chw h MET 842 Cb 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2chw h MET 842 CO -0.12 0.37 0.08 -0.07 1.06 0.00 0.00 176.91 178.22 2chw h LEU 843 N 0.53 0.19 -0.26 1.22 -0.00 -0.88 -1.85 115.31 114.25 2chw h LEU 843 Ca 0.14 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 2chw h LEU 843 Cb -0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 2chw h LEU 843 CO -0.03 0.23 -0.00 0.40 -0.00 0.00 0.00 178.44 179.03 2chw h ILE 844 N 0.13 1.26 -0.75 1.22 1.08 -0.96 -2.56 117.51 116.92 2chw h ILE 844 Ca 0.05 -0.92 0.10 0.00 -0.39 0.00 0.00 64.86 63.70 2chw h ILE 844 Cb 0.08 1.35 -0.08 0.00 -3.07 0.00 0.00 36.82 35.10 2chw h ILE 844 CO -0.01 0.29 0.38 -0.07 -0.69 0.00 0.00 178.15 178.05 2chw h LEU 845 N 0.24 0.49 -0.83 1.44 4.07 -1.04 -1.50 115.31 118.18 2chw h LEU 845 Ca 0.07 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 2chw h LEU 845 Cb 0.42 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 2chw h LEU 845 CO 0.01 0.26 -0.20 -0.61 -1.08 0.00 0.00 178.44 176.82 2chw h GLN 846 N 0.62 0.00 -0.05 1.13 5.75 -1.16 -1.81 115.11 119.59 2chw h GLN 846 Ca 0.38 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.65 2chw h GLN 846 Cb 0.43 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.99 2chw h GLN 846 CO -0.29 0.20 -0.85 0.82 -2.65 0.00 0.00 178.83 176.07 2chw h ILE 847 N 0.00 1.31 -1.03 2.39 2.04 -0.93 -2.38 117.51 118.92 2chw h ILE 847 Ca -0.00 -2.10 0.25 0.00 1.00 0.00 0.00 64.86 64.01 2chw h ILE 847 Cb 0.85 2.28 -0.10 0.00 -0.74 0.00 0.00 36.82 39.11 2chw h ILE 847 CO 0.03 0.65 0.64 -0.07 0.00 0.00 0.00 178.15 179.40 2chw h LEU 848 N 0.34 0.54 -0.04 1.44 4.07 -0.47 0.23 115.31 121.41 2chw h LEU 848 Ca -0.09 0.10 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 2chw h LEU 848 Cb 1.50 0.01 0.01 0.00 1.08 0.00 0.00 40.66 43.26 2chw h LEU 848 CO 0.17 0.11 -0.40 0.03 -1.08 0.00 0.00 178.44 177.27 2chw h ARG 849 N 0.48 0.35 -1.00 1.13 3.08 -1.35 -2.09 114.38 114.97 2chw h ARG 849 Ca 0.61 -0.31 0.22 0.00 0.07 0.00 0.00 59.98 60.56 2chw h ARG 849 Cb 1.38 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 31.40 2chw h ARG 849 CO -0.35 0.98 0.62 0.82 -1.07 0.00 0.00 179.97 180.96 2chw h ILE 850 N -0.17 0.63 0.05 2.04 2.04 -0.63 0.16 117.51 121.62 2chw h ILE 850 Ca -0.04 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2chw h ILE 850 Cb 1.08 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2chw h ILE 850 CO 0.08 0.11 -0.02 0.24 0.00 0.00 0.00 178.15 178.56 2chw h MET 851 N 0.61 -0.06 -0.65 2.37 2.86 -0.46 0.06 114.93 119.66 2chw h MET 851 Ca 0.58 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.36 2chw h MET 851 Cb 1.12 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 32.67 2chw h MET 851 CO -0.36 0.39 -0.17 0.93 1.06 0.00 0.00 176.91 178.76 2chw h GLU 852 N -0.54 -0.01 -0.28 1.72 5.08 -0.66 0.96 114.58 120.85 2chw h GLU 852 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2chw h GLU 852 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2chw h GLU 852 CO 0.01 -0.00 0.06 0.66 -1.00 0.00 0.00 179.01 178.74 2chw h SER 853 N -0.01 0.37 -0.53 1.42 4.64 -0.18 -0.30 113.55 118.96 2chw h SER 853 Ca 0.31 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 2chw h SER 853 Cb 0.48 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2chw h SER 853 CO -0.67 0.39 -0.06 0.40 -0.87 0.00 0.00 176.83 176.01 2chw h ILE 854 N 0.41 1.26 -0.59 0.95 2.04 0.11 -2.72 117.51 118.97 2chw h ILE 854 Ca 0.10 -1.20 -0.10 0.00 1.00 0.00 0.00 64.86 64.65 2chw h ILE 854 Cb 0.17 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2chw h ILE 854 CO -0.00 0.43 -0.03 -0.50 0.00 0.00 0.00 178.15 178.05 2chw h TRP 855 N 0.90 1.16 -0.65 1.37 6.55 -0.04 -2.64 115.95 122.60 2chw h TRP 855 Ca 0.15 -0.21 0.13 0.00 0.95 0.00 0.00 58.89 59.91 2chw h TRP 855 Cb 0.61 -0.30 -0.10 0.00 -0.86 0.00 0.00 29.16 28.52 2chw h TRP 855 CO 0.04 1.04 0.11 1.49 -1.05 0.00 0.00 178.44 180.06 2chw h GLU 856 N 0.95 0.22 0.00 0.49 4.81 -0.79 -0.68 114.58 119.58 2chw h GLU 856 Ca 0.16 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2chw h GLU 856 Cb 0.59 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2chw h GLU 856 CO 0.04 0.14 0.27 1.79 -0.73 0.00 0.00 179.01 180.52 2chw h THR 857 N 0.22 0.00 -0.02 0.32 1.35 -1.25 0.81 112.91 114.34 2chw h THR 857 Ca 0.35 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.20 2chw h THR 857 Cb 0.56 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 2chw h THR 857 CO -0.47 0.00 -0.33 -0.62 -0.25 0.00 0.00 175.52 173.85 2chw n GLU 858 N -2.92 1.54 -1.93 4.72 1.02 -0.35 -4.99 120.64 117.74 2chw n GLU 858 Ca -0.02 -3.09 -0.18 0.00 -0.02 0.00 0.00 57.16 53.85 2chw n GLU 858 Cb 0.32 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 2chw n GLU 858 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2chw n SER 859 N -1.20 -4.96 -4.91 1.62 7.64 0.28 -4.98 113.62 107.11 2chw n SER 859 Ca 0.19 0.27 -0.29 0.00 1.01 0.00 0.00 58.87 60.05 2chw n SER 859 Cb 0.70 -4.30 -0.03 0.00 -1.01 0.00 0.00 64.21 59.56 2chw n SER 859 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2chw s LEU 860 N -5.07 4.09 -0.05 -3.43 1.02 -0.68 -4.41 118.68 110.16 2chw s LEU 860 Ca 0.00 0.68 -0.02 0.00 0.02 0.00 0.00 54.13 54.81 2chw s LEU 860 Cb 0.00 -3.49 0.03 0.00 0.02 0.00 0.00 46.19 42.76 2chw s LEU 860 CO 0.00 -0.16 0.08 -0.62 0.02 0.00 0.00 176.35 175.67 2chw s ASP 861 N -3.11 0.49 -0.13 2.29 -1.08 -1.26 -3.50 116.67 110.37 2chw s ASP 861 Ca 0.43 0.15 0.16 0.00 -0.52 0.00 0.00 52.55 52.78 2chw s ASP 861 Cb -0.11 0.02 0.29 0.00 -1.46 0.00 0.00 42.92 41.66 2chw s ASP 861 CO 0.29 -0.19 1.15 0.18 0.52 0.00 0.00 175.17 177.12 2chw n LEU 862 N 4.74 2.21 -2.39 -1.34 7.99 -1.26 -4.98 117.00 121.97 2chw n LEU 862 Ca -0.16 -3.05 -0.06 0.00 -0.01 0.00 0.00 56.01 52.73 2chw n LEU 862 Cb 0.50 -0.41 -0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2chw n LEU 862 CO 0.13 0.79 -0.07 0.00 -1.51 0.00 0.00 177.39 176.73 2chw n LEU 864 N -2.57 4.31 -3.91 0.00 4.77 -1.26 -4.79 117.00 113.55 2chw n LEU 864 Ca -0.07 0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 56.35 2chw n LEU 864 Cb 0.53 -1.45 -0.13 0.00 -2.33 0.00 0.00 43.42 40.04 2chw n LEU 864 CO 0.08 -1.70 -0.13 -0.22 -1.33 0.00 0.00 177.39 174.09 2chw s LEU 865 N -3.44 4.41 -1.12 2.23 0.20 -1.26 -5.03 118.68 114.67 2chw s LEU 865 Ca 0.77 -3.34 -0.18 0.00 0.69 0.00 0.00 54.13 52.06 2chw s LEU 865 Cb -0.36 -1.60 0.11 0.00 -0.43 0.00 0.00 46.19 43.92 2chw s LEU 865 CO 0.47 -0.17 1.43 -2.16 -0.29 0.00 0.00 176.35 175.63 2chw s PRO 866 N -0.74 3.85 0.86 0.98 0.05 -1.26 -4.92 135.00 133.81 2chw s PRO 866 Ca 0.20 -1.96 -0.12 0.00 0.05 0.00 0.00 61.00 59.17 2chw s PRO 866 Cb -0.17 -5.20 0.11 0.00 0.05 0.00 0.00 34.50 29.30 2chw s PRO 866 CO -0.07 -1.97 1.17 2.48 0.05 0.00 0.00 177.00 178.66 2chw n TYR 867 N 7.14 1.08 -1.97 0.56 0.18 -1.26 -4.94 117.16 117.95 2chw n TYR 867 Ca 0.36 0.40 -0.41 0.00 1.88 0.00 0.00 57.90 60.13 2chw n TYR 867 Cb 0.47 -2.06 -0.02 0.00 -0.38 0.00 0.00 39.34 37.34 2chw n TYR 867 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2chw s GLY 868 N -2.34 2.19 -0.07 -7.48 0.00 -1.26 -4.85 107.32 93.52 2chw s GLY 868 Ca 0.71 1.36 -0.03 0.00 0.00 0.00 0.00 44.72 46.75 2chw s GLY 868 CO 0.54 2.36 0.15 0.00 0.00 0.00 0.00 173.10 176.15 2chw s ILE 870 N 1.00 0.58 -0.06 0.00 -1.09 -0.31 -4.81 121.20 116.51 2chw s ILE 870 Ca -0.08 -0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 57.85 2chw s ILE 870 Cb -0.10 -0.57 -0.02 0.00 -1.58 0.00 0.00 42.46 40.20 2chw s ILE 870 CO -0.05 0.21 0.98 -0.55 -1.23 0.00 0.00 174.94 174.30 2chw s SER 871 N 0.56 7.29 -0.13 3.58 0.15 -1.26 -1.41 113.70 122.48 2chw s SER 871 Ca -0.08 1.57 0.13 0.00 0.70 0.00 0.00 55.95 58.27 2chw s SER 871 Cb -0.11 -2.56 -0.18 0.00 -1.71 0.00 0.00 66.02 61.46 2chw s SER 871 CO 0.00 -0.35 0.09 0.35 1.20 0.00 0.00 173.24 174.53 2chw n THR 872 N 4.23 0.85 -2.47 6.45 -2.24 -0.99 -4.28 114.28 115.82 2chw n THR 872 Ca 0.07 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2chw n THR 872 Cb 0.50 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2chw n THR 872 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2chw n GLY 873 N 2.06 1.33 3.65 3.38 0.00 -1.22 -4.74 105.19 109.64 2chw n GLY 873 Ca -0.21 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2chw n GLY 873 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2chw s ASP 874 N 2.00 6.43 -0.87 1.61 2.15 -1.26 -2.72 116.67 124.01 2chw s ASP 874 Ca 0.00 2.13 -0.11 0.00 0.43 0.00 0.00 52.55 55.00 2chw s ASP 874 Cb 0.00 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.20 2chw s ASP 874 CO 0.00 -1.14 0.28 0.29 -0.17 0.00 0.00 175.17 174.43 2chw n LYS 875 N 7.51 -1.90 -4.11 4.34 5.02 -1.26 -4.87 118.16 122.89 2chw n LYS 875 Ca 0.19 0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 2chw n LYS 875 Cb 0.43 -4.50 -0.11 0.00 -0.02 0.00 0.00 35.03 30.84 2chw n LYS 875 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2chw s ILE 876 N -2.54 0.60 -3.35 -0.18 2.07 -1.10 -0.17 121.20 116.53 2chw s ILE 876 Ca 0.39 -1.44 0.00 0.00 -1.41 0.00 0.00 60.65 58.18 2chw s ILE 876 Cb -0.22 -1.06 0.00 0.00 0.13 0.00 0.00 42.46 41.30 2chw s ILE 876 CO 0.47 -0.59 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 2chw n GLY 877 N 0.82 -1.73 3.55 1.50 0.00 -0.38 -2.36 105.19 106.60 2chw n GLY 877 Ca -0.18 -1.14 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 2chw n GLY 877 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2chw s MET 878 N -1.60 1.98 -0.05 1.61 0.23 -0.50 -1.43 119.30 119.54 2chw s MET 878 Ca 0.00 -1.58 -0.03 0.00 -1.03 0.00 0.00 55.69 53.04 2chw s MET 878 Cb 0.00 -1.97 0.02 0.00 -1.53 0.00 0.00 34.83 31.36 2chw s MET 878 CO 0.00 0.35 0.12 0.42 -2.03 0.00 0.00 175.02 173.88 2chw s ILE 879 N -2.39 -0.02 0.15 3.16 1.01 -0.03 -1.17 121.20 121.91 2chw s ILE 879 Ca 0.30 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.73 2chw s ILE 879 Cb -0.06 -0.19 -0.09 0.00 0.01 0.00 0.00 42.46 42.12 2chw s ILE 879 CO 0.17 0.04 1.50 -0.70 0.00 0.00 0.00 174.94 175.95 2chw s GLU 880 N 0.58 4.25 -0.11 2.79 2.12 0.11 -0.14 118.70 128.31 2chw s GLU 880 Ca -0.04 2.26 -0.30 0.00 0.36 0.00 0.00 54.97 57.25 2chw s GLU 880 Cb -0.06 -3.19 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 2chw s GLU 880 CO -0.03 -0.54 1.16 0.42 -0.54 0.00 0.00 175.26 175.73 2chw s ILE 881 N 1.11 4.40 -0.34 -3.70 1.01 -0.70 -4.79 121.20 118.19 2chw s ILE 881 Ca 0.68 1.70 -0.24 0.00 0.00 0.00 0.00 60.65 62.80 2chw s ILE 881 Cb -0.41 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 37.97 2chw s ILE 881 CO 0.31 -0.05 0.80 -0.69 0.00 0.00 0.00 174.94 175.31 2chw s VAL 882 N 2.57 4.74 0.50 2.92 1.01 -1.26 -4.68 120.40 126.20 2chw s VAL 882 Ca 0.53 1.03 -0.22 0.00 0.00 0.00 0.00 61.98 63.31 2chw s VAL 882 Cb -0.22 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 2chw s VAL 882 CO 0.18 -0.37 1.26 -0.54 0.00 0.00 0.00 175.10 175.62 2chw s LYS 883 N 3.08 3.48 -1.74 2.72 3.01 -1.26 -3.80 119.74 125.24 2chw s LYS 883 Ca 0.32 2.00 0.00 0.00 -1.01 0.00 0.00 55.97 57.28 2chw s LYS 883 Cb -0.13 -2.35 0.00 0.00 -1.01 0.00 0.00 37.83 34.34 2chw s LYS 883 CO 0.15 -0.84 0.00 -0.25 0.51 0.00 0.00 175.35 174.92 2chw n ASP 884 N -0.71 -5.52 -4.45 2.83 8.00 -1.26 -4.83 116.55 110.61 2chw n ASP 884 Ca 0.09 0.08 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 2chw n ASP 884 Cb 0.46 -4.59 -0.12 0.00 -0.02 0.00 0.00 41.12 36.86 2chw n ASP 884 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2chw s ALA 885 N -2.92 2.56 0.12 2.24 0.00 -1.25 -0.28 121.76 122.23 2chw s ALA 885 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2chw s ALA 885 Cb 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 2chw s ALA 885 CO 0.00 0.56 0.04 0.25 0.00 0.00 0.00 175.76 176.61 2chw n THR 886 N 0.81 0.00 -4.09 0.00 -2.24 -0.63 -4.96 114.28 103.17 2chw n THR 886 Ca -0.16 -0.69 -0.33 0.00 -2.27 0.00 0.00 64.05 60.60 2chw n THR 886 Cb 0.53 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.92 2chw n THR 886 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2chw s THR 887 N -1.92 4.77 0.33 4.28 -4.23 -1.26 -1.85 115.64 115.76 2chw s THR 887 Ca 0.05 -0.38 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2chw s THR 887 Cb 0.00 -3.18 0.32 0.00 1.34 0.00 0.00 72.50 70.98 2chw s THR 887 CO 0.04 0.36 1.80 0.40 -0.54 0.00 0.00 174.62 176.67 2chw h ILE 888 N 3.23 0.71 -0.28 2.99 5.03 -1.30 -0.62 117.51 127.27 2chw h ILE 888 Ca -0.49 -0.24 0.07 0.00 -0.12 0.00 0.00 64.86 64.07 2chw h ILE 888 Cb 1.18 -0.06 -0.07 0.00 -3.03 0.00 0.00 36.82 34.85 2chw h ILE 888 CO 0.62 0.13 -0.19 0.00 -0.68 0.00 0.00 178.15 178.03 2chw h ALA 889 N 1.63 -0.00 -0.78 1.87 0.00 -1.79 -1.41 119.26 118.77 2chw h ALA 889 Ca 0.55 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 2chw h ALA 889 Cb 0.94 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2chw h ALA 889 CO -0.33 -0.60 0.41 -0.22 0.00 0.00 0.00 179.25 178.52 2chw h LYS 890 N -0.17 1.10 0.00 0.00 3.64 -1.48 0.26 116.57 119.92 2chw h LYS 890 Ca 0.15 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2chw h LYS 890 Cb 0.40 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2chw h LYS 890 CO -0.39 0.81 0.00 0.82 -2.27 0.00 0.00 179.45 178.43 2chw h ILE 891 N 1.10 0.00 0.00 2.00 2.04 -0.78 -0.81 117.51 121.07 2chw h ILE 891 Ca 0.27 -0.11 -0.18 0.00 1.00 0.00 0.00 64.86 65.85 2chw h ILE 891 Cb 0.05 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2chw h ILE 891 CO -0.04 0.00 -2.04 0.00 0.00 0.00 0.00 178.15 176.07 2chw n GLN 892 N -2.63 0.66 -0.08 2.37 1.13 0.42 -4.27 117.38 114.99 2chw n GLN 892 Ca -0.01 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 54.89 2chw n GLN 892 Cb 0.11 -1.57 0.03 0.00 0.11 0.00 0.00 30.24 28.92 2chw n GLN 892 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2chw h GLN 893 N 0.00 0.80 0.01 -1.09 7.50 0.12 -3.18 115.11 119.27 2chw h GLN 893 Ca -0.25 -0.41 -0.00 0.00 0.50 0.00 0.00 58.65 58.49 2chw h GLN 893 Cb 1.60 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 29.14 2chw h GLN 893 CO 0.02 1.04 -0.01 0.77 -1.50 0.00 0.00 178.83 179.15 2chw h SER 894 N 0.66 -0.03 0.61 1.46 0.02 -1.35 -3.02 113.55 111.89 2chw h SER 894 Ca 0.06 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 2chw h SER 894 Cb 0.95 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2chw h SER 894 CO 0.09 -0.01 -1.53 0.41 -1.14 0.00 0.00 176.83 174.65 2chw n THR 895 N -2.34 1.17 -0.07 -2.27 -1.04 -1.26 -4.51 114.28 103.96 2chw n THR 895 Ca -0.00 -0.70 -0.04 0.00 -2.04 0.00 0.00 64.05 61.27 2chw n THR 895 Cb 0.01 -0.70 -0.16 0.00 -1.82 0.00 0.00 70.33 67.66 2chw n THR 895 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2chw n VAL 896 N -2.86 1.01 0.00 12.58 0.31 -1.21 -5.12 118.33 123.05 2chw n VAL 896 Ca -0.11 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.46 2chw n VAL 896 Cb 0.86 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 2chw n VAL 896 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2chw n GLY 897 N 1.60 -0.16 2.56 2.92 0.00 -1.14 -4.92 105.19 106.05 2chw n GLY 897 Ca -0.24 -2.23 -0.15 0.00 0.00 0.00 0.00 46.02 43.39 2chw n GLY 897 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2chw n ASN 898 N 0.00 -1.88 -2.75 1.61 2.85 -1.26 -3.92 115.26 109.91 2chw n ASN 898 Ca 0.00 -2.73 -0.04 0.00 -0.11 0.00 0.00 54.58 51.70 2chw n ASN 898 Cb 0.00 0.63 0.06 0.00 1.24 0.00 0.00 39.78 41.72 2chw n ASN 898 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2chw n THR 899 N 2.58 0.86 -1.40 -0.44 -1.04 -1.26 -4.93 114.28 108.65 2chw n THR 899 Ca 0.22 -2.51 -0.09 0.00 -2.04 0.00 0.00 64.05 59.62 2chw n THR 899 Cb 0.53 1.05 -0.03 0.00 -1.82 0.00 0.00 70.33 70.06 2chw n THR 899 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2chw n GLY 900 N -0.60 0.92 3.78 3.41 0.00 -1.26 -5.03 105.19 106.42 2chw n GLY 900 Ca 0.03 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2chw n GLY 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chw s ALA 901 N -2.36 2.66 -0.06 4.61 0.00 -1.26 -4.88 121.76 120.48 2chw s ALA 901 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 2chw s ALA 901 Cb 0.00 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.84 2chw s ALA 901 CO 0.00 -0.86 0.13 -0.06 0.00 0.00 0.00 175.76 174.97 2chw s PHE 902 N -2.06 -0.13 0.13 0.00 0.40 -1.26 -4.90 117.98 110.16 2chw s PHE 902 Ca 0.69 0.42 0.04 0.00 -0.60 0.00 0.00 56.93 57.48 2chw s PHE 902 Cb -0.21 -0.11 -0.04 0.00 0.51 0.00 0.00 43.02 43.17 2chw s PHE 902 CO 0.32 -0.15 -0.09 0.21 0.70 0.00 0.00 175.22 176.20 2chw s LYS 903 N 1.15 0.99 -0.02 0.44 2.20 -1.26 -5.10 119.74 118.14 2chw s LYS 903 Ca -0.09 -1.41 0.16 0.00 -0.36 0.00 0.00 55.97 54.27 2chw s LYS 903 Cb -0.12 -0.50 -0.23 0.00 -1.51 0.00 0.00 37.83 35.47 2chw s LYS 903 CO -0.05 0.05 0.36 -0.25 -0.36 0.00 0.00 175.35 175.10 2chw n ASP 904 N -0.12 1.40 0.07 1.43 10.43 -1.26 -4.47 116.55 124.03 2chw n ASP 904 Ca -0.11 -0.07 0.02 0.00 2.57 0.00 0.00 54.79 57.20 2chw n ASP 904 Cb 0.61 1.65 -0.04 0.00 1.84 0.00 0.00 41.12 45.17 2chw n ASP 904 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2chw h GLU 905 N 0.00 0.00 -1.04 -1.24 3.07 -1.93 -3.40 114.58 110.04 2chw h GLU 905 Ca 0.00 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.12 2chw h GLU 905 Cb 0.68 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.49 2chw h GLU 905 CO 0.00 0.31 0.67 0.28 -1.40 0.00 0.00 179.01 178.86 2chw h VAL 906 N 0.00 0.53 -0.23 3.13 2.07 -1.93 -0.63 116.25 119.19 2chw h VAL 906 Ca -0.10 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.32 2chw h VAL 906 Cb 1.46 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2chw h VAL 906 CO 0.05 0.07 -0.00 -0.07 0.02 0.00 0.00 177.57 177.64 2chw h LEU 907 N 0.40 -0.09 -0.94 2.57 3.38 -1.84 0.05 115.31 118.84 2chw h LEU 907 Ca 0.59 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.57 2chw h LEU 907 Cb 1.49 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 2chw h LEU 907 CO -0.30 -0.02 0.28 -1.13 0.09 0.00 0.00 178.44 177.36 2chw h ASN 908 N 0.07 0.96 0.00 -0.43 -0.00 -1.43 -1.30 115.58 113.45 2chw h ASN 908 Ca 0.11 -0.14 -0.00 0.00 -0.00 0.00 0.00 56.30 56.26 2chw h ASN 908 Cb 0.14 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.21 2chw h ASN 908 CO -0.18 0.86 -0.00 0.45 -0.00 0.00 0.00 177.43 178.56 2chw h HIS 909 N 1.02 -0.01 -0.77 0.67 3.86 -1.25 0.78 115.15 119.46 2chw h HIS 909 Ca 0.24 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 2chw h HIS 909 Cb 0.21 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 2chw h HIS 909 CO 0.02 0.04 0.51 2.35 0.86 0.00 0.00 177.93 181.70 2chw h TRP 910 N -0.05 0.96 -0.12 2.45 7.01 -0.84 0.11 115.95 125.48 2chw h TRP 910 Ca -0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2chw h TRP 910 Cb 0.04 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.78 2chw h TRP 910 CO -0.07 0.60 -0.07 -0.07 -2.79 0.00 0.00 178.44 176.04 2chw h LEU 911 N 1.03 0.26 -0.49 0.65 3.38 -1.01 -2.25 115.31 116.89 2chw h LEU 911 Ca 0.29 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2chw h LEU 911 Cb -0.10 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 2chw h LEU 911 CO -0.07 0.63 0.11 0.50 0.09 0.00 0.00 178.44 179.70 2chw h LYS 912 N -0.11 0.24 0.00 1.13 1.63 -0.68 -2.47 116.57 116.31 2chw h LYS 912 Ca 0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2chw h LYS 912 Cb 0.54 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2chw h LYS 912 CO 0.02 0.16 0.00 1.05 -3.45 0.00 0.00 179.45 177.23 2chw h GLU 913 N 0.25 0.00 -0.53 1.90 4.11 -0.78 -2.11 114.58 117.42 2chw h GLU 913 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 2chw h GLU 913 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2chw h GLU 913 CO -0.31 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.40 2chw n LYS 914 N -2.58 2.64 -3.75 1.06 4.76 -0.86 -4.87 118.16 114.55 2chw n LYS 914 Ca 0.01 -2.35 -0.37 0.00 -2.87 0.00 0.00 58.31 52.73 2chw n LYS 914 Cb 0.25 -1.45 -0.12 0.00 -1.84 0.00 0.00 35.03 31.86 2chw n LYS 914 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2chw s SER 915 N -1.08 5.14 0.38 4.39 0.01 -0.80 -4.90 113.70 116.85 2chw s SER 915 Ca 0.38 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.20 2chw s SER 915 Cb 0.20 -1.91 0.77 0.00 0.21 0.00 0.00 66.02 65.30 2chw s SER 915 CO 0.27 -0.13 2.02 -0.65 0.41 0.00 0.00 173.24 175.16 2chw h PRO 916 N 8.25 0.67 -5.24 12.44 0.11 -1.89 -3.41 132.00 142.92 2chw h PRO 916 Ca -0.34 -0.04 -0.47 0.00 0.11 0.00 0.00 66.00 65.26 2chw h PRO 916 Cb 1.15 -0.15 -0.28 0.00 0.11 0.00 0.00 31.00 31.83 2chw h PRO 916 CO 0.60 0.44 -0.80 0.95 -0.21 0.00 0.00 178.00 178.98 2chw s THR 917 N -5.60 1.07 -1.55 -1.15 -4.23 -1.26 -5.01 115.64 97.91 2chw s THR 917 Ca -0.09 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 2chw s THR 917 Cb 0.18 -0.91 0.00 0.00 1.34 0.00 0.00 72.50 73.11 2chw s THR 917 CO 0.75 0.23 0.38 1.21 -0.54 0.00 0.00 174.62 176.65 2chw n GLU 918 N 2.56 0.00 -0.11 3.99 0.00 -1.26 -1.20 120.64 124.62 2chw n GLU 918 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.80 2chw n GLU 918 Cb 0.55 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.40 2chw n GLU 918 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2chw n GLU 919 N -0.88 0.55 -0.29 5.31 2.13 -1.26 -3.08 120.64 123.13 2chw n GLU 919 Ca 0.00 0.51 0.24 0.00 0.66 0.00 0.00 57.16 58.57 2chw n GLU 919 Cb 0.00 -1.69 0.56 0.00 0.27 0.00 0.00 31.44 30.57 2chw n GLU 919 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2chw h LYS 920 N -1.00 0.31 -0.11 5.31 1.57 -1.55 0.27 116.57 121.37 2chw h LYS 920 Ca -0.36 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2chw h LYS 920 Cb 1.25 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 2chw h LYS 920 CO -0.22 0.20 -0.18 0.35 -0.57 0.00 0.00 179.45 179.03 2chw h PHE 921 N 0.32 -0.47 -0.47 -1.35 3.57 -1.63 -0.37 116.94 116.54 2chw h PHE 921 Ca 0.55 0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.16 2chw h PHE 921 Cb 1.53 0.23 -0.10 0.00 2.79 0.00 0.00 35.95 40.40 2chw h PHE 921 CO -0.00 -0.26 -0.27 1.96 -2.23 0.00 0.00 178.31 177.51 2chw h GLN 922 N -0.24 -0.16 -0.44 1.11 1.08 -0.43 0.77 115.11 116.80 2chw h GLN 922 Ca 0.09 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.40 2chw h GLN 922 Cb 0.37 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2chw h GLN 922 CO -0.25 -0.10 0.31 0.00 -0.95 0.00 0.00 178.83 177.83 2chw h ALA 923 N 1.05 2.24 -0.16 3.87 0.00 -0.74 -0.94 119.26 124.57 2chw h ALA 923 Ca 0.21 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 2chw h ALA 923 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2chw h ALA 923 CO -0.57 -0.36 -0.67 0.00 0.00 0.00 0.00 179.25 177.66 2chw h ALA 924 N 1.78 0.51 -0.46 0.00 0.00 0.81 0.11 119.26 122.01 2chw h ALA 924 Ca 0.21 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 2chw h ALA 924 Cb 0.65 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2chw h ALA 924 CO -0.03 0.71 -0.08 0.28 0.00 0.00 0.00 179.25 180.13 2chw h VAL 925 N 0.46 1.25 -0.16 0.00 2.07 0.08 0.36 116.25 120.31 2chw h VAL 925 Ca -0.02 -1.13 -0.18 0.00 0.82 0.00 0.00 66.70 66.19 2chw h VAL 925 Cb 1.26 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2chw h VAL 925 CO 0.13 0.39 -0.59 -0.08 0.02 0.00 0.00 177.57 177.44 2chw h GLU 926 N 0.73 0.69 -0.42 1.57 4.57 -1.12 -0.61 114.58 119.99 2chw h GLU 926 Ca 0.13 -0.52 0.07 0.00 -1.18 0.00 0.00 59.36 57.86 2chw h GLU 926 Cb 0.55 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 29.18 2chw h GLU 926 CO 0.03 1.14 0.05 -0.09 -1.18 0.00 0.00 179.01 178.96 2chw h ARG 927 N 0.38 0.17 -0.13 1.92 9.65 -0.73 -2.98 114.38 122.66 2chw h ARG 927 Ca -0.03 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 2chw h ARG 927 Cb 1.21 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 2chw h ARG 927 CO 0.12 0.11 0.06 0.35 2.80 0.00 0.00 179.97 183.41 2chw h PHE 928 N 0.17 0.11 -0.82 2.20 3.57 -0.39 -0.43 116.94 121.35 2chw h PHE 928 Ca 0.21 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2chw h PHE 928 Cb 0.27 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2chw h PHE 928 CO -0.23 0.06 0.54 0.28 -2.23 0.00 0.00 178.31 176.73 2chw h VAL 929 N 0.13 1.18 -0.08 1.41 2.07 -1.08 0.12 116.25 120.01 2chw h VAL 929 Ca 0.05 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 2chw h VAL 929 Cb 0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 2chw h VAL 929 CO -0.04 0.20 -0.21 1.88 0.02 0.00 0.00 177.57 179.42 2chw h TYR 930 N 1.09 0.36 -0.25 1.57 -1.99 -1.37 -2.28 116.97 114.10 2chw h TYR 930 Ca 0.31 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.83 2chw h TYR 930 Cb -0.08 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 2chw h TYR 930 CO -0.02 0.83 -0.13 0.66 -0.00 0.00 0.00 178.16 179.50 2chw h SER 931 N -0.20 0.55 -0.24 3.88 4.64 -0.94 -1.59 113.55 119.65 2chw h SER 931 Ca -0.00 -0.41 0.06 0.00 -0.47 0.00 0.00 61.79 60.96 2chw h SER 931 Cb 0.83 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.69 2chw h SER 931 CO 0.05 0.84 -0.30 0.00 -0.87 0.00 0.00 176.83 176.54 2chw h ALA 933 N 0.62 -0.15 -0.57 0.00 0.00 -1.21 -0.91 119.26 117.04 2chw h ALA 933 Ca 0.13 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2chw h ALA 933 Cb 0.52 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 2chw h ALA 933 CO -0.42 -0.63 -0.37 0.78 0.00 0.00 0.00 179.25 178.61 2chw h GLY 934 N -0.23 -0.26 1.75 0.00 0.00 -1.20 -1.68 103.07 101.45 2chw h GLY 934 Ca 0.05 0.48 -0.11 0.00 0.00 0.00 0.00 47.33 47.76 2chw h GLY 934 CO -0.14 -0.19 -0.40 -0.97 0.00 0.00 0.00 176.54 174.84 2chw h TYR 935 N -0.20 0.33 -1.00 5.60 -1.99 -1.15 -0.51 116.97 118.06 2chw h TYR 935 Ca 0.21 -0.09 0.10 0.00 2.00 0.00 0.00 58.73 60.95 2chw h TYR 935 Cb 0.56 -0.07 -0.08 0.00 2.00 0.00 0.00 36.73 39.14 2chw h TYR 935 CO -0.66 0.65 0.64 0.00 -0.00 0.00 0.00 178.16 178.79 2chw h VAL 937 N 1.05 0.92 -0.32 0.00 2.07 -0.40 -2.86 116.25 116.71 2chw h VAL 937 Ca 0.47 -1.66 0.07 0.00 0.82 0.00 0.00 66.70 66.40 2chw h VAL 937 Cb 0.38 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 2chw h VAL 937 CO -0.23 0.31 -0.13 0.00 0.02 0.00 0.00 177.57 177.54 2chw h ALA 938 N -0.48 0.14 -0.99 1.67 0.00 -1.19 -1.75 119.26 116.66 2chw h ALA 938 Ca -0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2chw h ALA 938 Cb 0.51 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2chw h ALA 938 CO 0.00 -0.51 0.65 0.00 0.00 0.00 0.00 179.25 179.39 2chw h THR 939 N -0.07 1.26 -0.44 0.00 1.03 -1.22 -2.31 112.91 111.15 2chw h THR 939 Ca 0.16 -0.47 -0.07 0.00 -0.01 0.00 0.00 66.41 66.03 2chw h THR 939 Cb 0.32 -0.20 -0.02 0.00 -1.07 0.00 0.00 68.15 67.19 2chw h THR 939 CO -0.37 0.25 0.01 0.15 -0.01 0.00 0.00 175.52 175.54 2chw h PHE 940 N 1.34 0.85 -0.79 0.00 3.57 -1.11 -0.32 116.94 120.47 2chw h PHE 940 Ca 0.36 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2chw h PHE 940 Cb -0.15 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 2chw h PHE 940 CO -0.00 0.83 0.39 0.28 -2.23 0.00 0.00 178.31 177.57 2chw h VAL 941 N 0.62 1.24 -0.01 1.41 2.07 -0.90 -1.14 116.25 119.55 2chw h VAL 941 Ca 0.13 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2chw h VAL 941 Cb 0.48 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2chw h VAL 941 CO 0.02 0.29 -0.20 0.18 0.02 0.00 0.00 177.57 177.88 2chw n LEU 942 N -4.32 1.34 -2.64 2.57 4.77 -0.91 -4.70 117.00 113.10 2chw n LEU 942 Ca 0.08 -0.41 -0.21 0.00 -0.03 0.00 0.00 56.01 55.44 2chw n LEU 942 Cb 0.13 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2chw n LEU 942 CO 0.39 0.24 -0.10 0.61 -1.33 0.00 0.00 177.39 177.20 2chw n GLY 943 N 1.31 -0.46 2.04 -0.72 0.00 -0.22 -4.87 105.19 102.27 2chw n GLY 943 Ca 0.14 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 2chw n GLY 943 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2chw n ILE 944 N -4.29 2.54 0.84 -0.61 -5.35 -0.70 -4.75 119.36 107.04 2chw n ILE 944 Ca -0.16 -4.22 0.09 0.00 -0.27 0.00 0.00 62.75 58.19 2chw n ILE 944 Cb 0.64 -1.14 -0.08 0.00 -1.74 0.00 0.00 39.64 37.31 2chw n ILE 944 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2chw n GLY 945 N -0.71 -0.56 2.76 3.28 0.00 -1.23 -4.63 105.19 104.10 2chw n GLY 945 Ca 0.44 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2chw n GLY 945 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2chw n ASP 946 N -1.20 5.37 -4.59 1.61 -0.08 -1.25 -3.13 116.55 113.28 2chw n ASP 946 Ca 0.04 -3.04 -0.31 0.00 -1.51 0.00 0.00 54.79 49.98 2chw n ASP 946 Cb 0.30 -1.50 -0.10 0.00 2.34 0.00 0.00 41.12 42.15 2chw n ASP 946 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2chw s ARG 947 N 0.83 2.32 0.47 -0.67 1.81 -1.26 -5.05 118.95 117.40 2chw s ARG 947 Ca 0.44 -0.90 -0.22 0.00 -1.72 0.00 0.00 55.73 53.34 2chw s ARG 947 Cb 0.12 -2.39 -0.08 0.00 -0.45 0.00 0.00 34.95 32.15 2chw s ARG 947 CO -0.03 0.55 1.10 -1.58 -0.68 0.00 0.00 175.30 174.65 2chw s HIS 948 N -1.14 2.96 0.66 -0.53 5.65 -1.26 -4.92 115.29 116.71 2chw s HIS 948 Ca 0.20 1.57 0.38 0.00 0.25 0.00 0.00 55.06 57.47 2chw s HIS 948 Cb -0.11 -3.22 2.09 0.00 -1.18 0.00 0.00 32.58 30.16 2chw s HIS 948 CO 0.12 -1.13 2.20 -0.91 -0.65 0.00 0.00 174.74 174.37 2chw h ASN 949 N 1.86 0.00 1.20 9.88 2.35 -1.93 -1.62 115.58 127.31 2chw h ASN 949 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2chw h ASN 949 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2chw h ASN 949 CO 0.60 0.00 0.00 -0.67 -1.65 0.00 0.00 177.43 175.71 2chw n ASP 950 N -3.12 0.70 -1.33 5.81 2.03 -1.26 -2.47 116.55 116.91 2chw n ASP 950 Ca -0.02 0.60 0.09 0.00 0.52 0.00 0.00 54.79 55.97 2chw n ASP 950 Cb 0.19 -0.78 0.31 0.00 -0.72 0.00 0.00 41.12 40.13 2chw n ASP 950 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2chw n ASN 951 N -2.19 4.31 -4.12 1.67 5.03 -0.61 -4.89 115.26 114.46 2chw n ASN 951 Ca 0.05 -2.41 -0.26 0.00 0.87 0.00 0.00 54.58 52.82 2chw n ASN 951 Cb 0.36 -0.51 -0.16 0.00 -1.02 0.00 0.00 39.78 38.44 2chw n ASN 951 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2chw s ILE 952 N -1.76 1.44 0.27 2.41 1.01 -1.03 -1.25 121.20 122.28 2chw s ILE 952 Ca 0.45 -0.70 0.12 0.00 0.00 0.00 0.00 60.65 60.52 2chw s ILE 952 Cb 0.29 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.46 2chw s ILE 952 CO 0.22 0.42 -0.21 -0.04 0.00 0.00 0.00 174.94 175.33 2chw s MET 953 N 0.20 1.65 0.01 2.79 -1.94 0.13 -1.47 119.30 120.67 2chw s MET 953 Ca -0.08 -1.73 0.02 0.00 -1.71 0.00 0.00 55.69 52.20 2chw s MET 953 Cb -0.13 -1.77 -0.01 0.00 2.01 0.00 0.00 34.83 34.93 2chw s MET 953 CO 0.03 0.34 -0.08 -1.50 -0.01 0.00 0.00 175.02 173.80 2chw s ILE 954 N -2.39 0.59 0.72 2.53 2.07 -0.77 0.17 121.20 124.12 2chw s ILE 954 Ca 0.29 -0.49 -0.11 0.00 -1.41 0.00 0.00 60.65 58.92 2chw s ILE 954 Cb -0.05 -0.53 0.02 0.00 0.13 0.00 0.00 42.46 42.03 2chw s ILE 954 CO 0.14 0.05 1.10 0.42 -1.91 0.00 0.00 174.94 174.74 2chw s THR 955 N -0.42 3.42 0.30 4.00 -4.23 0.13 -1.60 115.64 117.24 2chw s THR 955 Ca 0.00 0.46 0.33 0.00 -1.18 0.00 0.00 61.69 61.31 2chw s THR 955 Cb -0.04 -3.43 0.36 0.00 1.34 0.00 0.00 72.50 70.72 2chw s THR 955 CO -0.00 -0.60 2.07 -0.33 -0.54 0.00 0.00 174.62 175.21 2chw h GLU 956 N -0.70 0.00 -0.90 3.99 5.08 -0.97 -1.37 114.58 119.70 2chw h GLU 956 Ca -0.45 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.63 2chw h GLU 956 Cb 1.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 2chw h GLU 956 CO 0.63 0.06 0.35 -2.37 -1.00 0.00 0.00 179.01 176.69 2chw n THR 957 N -3.28 2.50 -0.98 1.13 5.66 -1.26 -4.76 114.28 113.29 2chw n THR 957 Ca -0.01 -1.34 0.00 0.00 -3.05 0.00 0.00 64.05 59.65 2chw n THR 957 Cb 0.26 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 2chw n THR 957 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2chw n GLY 958 N -0.38 0.81 3.59 1.09 0.00 -0.52 -4.42 105.19 105.37 2chw n GLY 958 Ca 0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 2chw n GLY 958 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2chw s ASN 959 N -2.68 6.62 0.37 1.61 3.84 -1.25 -2.79 114.94 120.66 2chw s ASN 959 Ca 0.00 0.42 -0.19 0.00 0.21 0.00 0.00 52.86 53.30 2chw s ASN 959 Cb 0.00 -2.52 -0.10 0.00 -0.55 0.00 0.00 41.25 38.08 2chw s ASN 959 CO 0.00 -1.16 0.86 -0.22 -2.79 0.00 0.00 177.10 173.79 2chw s LEU 960 N 4.18 4.04 -0.28 3.21 2.96 -1.26 0.22 118.68 131.75 2chw s LEU 960 Ca 0.45 1.54 -0.21 0.00 -0.22 0.00 0.00 54.13 55.69 2chw s LEU 960 Cb -0.08 -4.28 0.08 0.00 0.50 0.00 0.00 46.19 42.40 2chw s LEU 960 CO 0.29 -0.26 0.72 0.72 -1.32 0.00 0.00 176.35 176.50 2chw s PHE 961 N -2.03 -0.91 0.53 5.38 -0.12 0.13 -4.58 117.98 116.37 2chw s PHE 961 Ca 0.57 1.99 -0.20 0.00 -0.05 0.00 0.00 56.93 59.24 2chw s PHE 961 Cb -0.11 0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 42.67 2chw s PHE 961 CO 0.16 -0.44 1.11 -1.01 -0.05 0.00 0.00 175.22 174.99 2chw s HIS 962 N 1.00 2.74 0.15 3.49 3.76 -1.26 -0.69 115.29 124.48 2chw s HIS 962 Ca -0.05 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.43 2chw s HIS 962 Cb -0.05 -3.25 -0.01 0.00 1.11 0.00 0.00 32.58 30.38 2chw s HIS 962 CO -0.10 -1.43 0.07 0.44 -0.85 0.00 0.00 174.74 172.88 2chw n ILE 963 N -1.18 0.00 -3.64 0.60 -5.35 -0.38 -4.89 119.36 104.52 2chw n ILE 963 Ca 0.11 -0.92 -0.22 0.00 -0.27 0.00 0.00 62.75 61.44 2chw n ILE 963 Cb 0.51 0.38 0.01 0.00 -1.74 0.00 0.00 39.64 38.80 2chw n ILE 963 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2chw n ASP 964 N -2.08 -5.52 -1.62 7.28 10.43 -1.26 -4.78 116.55 119.00 2chw n ASP 964 Ca -0.00 -0.81 -0.03 0.00 2.57 0.00 0.00 54.79 56.52 2chw n ASP 964 Cb 0.23 -2.77 -0.04 0.00 1.84 0.00 0.00 41.12 40.38 2chw n ASP 964 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2chw n PHE 965 N -2.94 0.00 -0.08 1.24 3.01 -1.26 -4.52 117.46 112.90 2chw n PHE 965 Ca -0.19 -1.12 -0.04 0.00 1.01 0.00 0.00 57.45 57.11 2chw n PHE 965 Cb 0.62 -0.77 -0.03 0.00 -0.01 0.00 0.00 39.48 39.29 2chw n PHE 965 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2chw h GLY 966 N 3.49 -1.84 0.00 1.37 0.00 -1.91 -3.39 103.07 100.79 2chw h GLY 966 Ca 0.05 0.90 0.00 0.00 0.00 0.00 0.00 47.33 48.27 2chw h GLY 966 CO 0.06 -0.60 0.00 1.57 0.00 0.00 0.00 176.54 177.56 2chw n HIS 967 N -3.62 0.00 0.00 5.60 -0.00 -1.26 -4.69 115.22 111.25 2chw n HIS 967 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2chw n HIS 967 Cb 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 2chw n HIS 967 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2chw n GLU 981 N 0.00 0.00 -3.79 1.57 -0.58 -1.26 -5.11 120.64 111.47 2chw n GLU 981 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 2chw n GLU 981 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 2chw n GLU 981 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2chw s ARG 982 N 0.00 2.53 -0.18 3.49 1.81 -1.26 -4.93 118.95 120.42 2chw s ARG 982 Ca 0.00 -1.50 -0.10 0.00 -1.72 0.00 0.00 55.73 52.41 2chw s ARG 982 Cb 0.00 -2.33 0.06 0.00 -0.45 0.00 0.00 34.95 32.23 2chw s ARG 982 CO 0.00 -0.05 0.43 0.54 -0.68 0.00 0.00 175.30 175.54 2chw s VAL 983 N -2.43 -0.02 0.11 3.52 0.11 -1.26 -5.06 120.40 115.37 2chw s VAL 983 Ca 0.43 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 2chw s VAL 983 Cb -0.03 -0.64 -0.10 0.00 -1.53 0.00 0.00 36.38 34.08 2chw s VAL 983 CO 0.26 0.03 1.60 1.55 -3.33 0.00 0.00 175.10 175.21 2chw h PRO 984 N 6.97 -0.62 0.00 1.54 0.13 -1.88 -3.34 132.00 134.80 2chw h PRO 984 Ca -0.35 0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.69 2chw h PRO 984 Cb 1.19 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2chw h PRO 984 CO 0.28 -0.41 -0.12 1.97 -0.23 0.00 0.00 178.00 179.49 2chw n PHE 985 N -5.45 -0.25 -3.47 1.56 1.16 -1.25 -3.93 117.46 105.83 2chw n PHE 985 Ca -0.07 -0.77 -0.43 0.00 -1.87 0.00 0.00 57.45 54.31 2chw n PHE 985 Cb 0.36 0.08 -0.07 0.00 -1.61 0.00 0.00 39.48 38.25 2chw n PHE 985 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2chw s VAL 986 N -2.38 4.62 -0.56 1.97 1.01 -1.18 -4.83 120.40 119.04 2chw s VAL 986 Ca 0.11 -1.90 0.07 0.00 0.00 0.00 0.00 61.98 60.26 2chw s VAL 986 Cb 0.00 -3.99 0.25 0.00 0.00 0.00 0.00 36.38 32.65 2chw s VAL 986 CO 0.08 -0.84 0.67 -0.11 0.00 0.00 0.00 175.10 174.90 2chw n LEU 987 N 4.76 2.62 -4.75 3.92 7.94 -1.26 -4.94 117.00 125.29 2chw n LEU 987 Ca -0.05 -5.21 -0.31 0.00 -1.11 0.00 0.00 56.01 49.33 2chw n LEU 987 Cb 0.41 -0.25 0.10 0.00 0.53 0.00 0.00 43.42 44.21 2chw n LEU 987 CO 0.44 2.06 0.69 0.42 -1.11 0.00 0.00 177.39 179.89 2chw s THR 988 N -2.06 3.15 0.45 1.96 -4.23 -1.26 -4.53 115.64 109.11 2chw s THR 988 Ca 0.38 0.37 0.13 0.00 -1.18 0.00 0.00 61.69 61.40 2chw s THR 988 Cb 0.15 -2.85 0.30 0.00 1.34 0.00 0.00 72.50 71.44 2chw s THR 988 CO -0.04 -0.49 2.04 -0.65 -0.54 0.00 0.00 174.62 174.94 2chw h PRO 989 N -1.24 0.33 -0.25 3.99 0.11 -1.90 -1.39 132.00 131.65 2chw h PRO 989 Ca -0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2chw h PRO 989 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2chw h PRO 989 CO 0.52 0.22 -0.27 0.38 -0.21 0.00 0.00 178.00 178.64 2chw h ASP 990 N 0.34 0.49 -0.63 -2.05 2.03 -1.88 -1.22 116.42 113.50 2chw h ASP 990 Ca 0.17 -0.17 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 2chw h ASP 990 Cb 0.26 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 38.60 2chw h ASP 990 CO -0.04 0.75 0.11 -0.26 -1.03 0.00 0.00 179.24 178.78 2chw h PHE 991 N 0.43 1.10 -0.59 4.15 -1.00 -1.69 -3.23 116.94 116.10 2chw h PHE 991 Ca 0.06 -0.15 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 2chw h PHE 991 Cb 0.70 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 2chw h PHE 991 CO 0.02 0.93 0.17 -0.07 -1.61 0.00 0.00 178.31 177.76 2chw h LEU 992 N 0.95 0.84 0.00 1.54 3.38 -0.20 -2.14 115.31 119.69 2chw h LEU 992 Ca 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2chw h LEU 992 Cb 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2chw h LEU 992 CO 0.01 0.80 0.00 0.33 0.09 0.00 0.00 178.44 179.67 2chw n PHE 993 N -4.28 0.00 -0.05 1.13 7.35 -0.57 -0.14 117.46 120.90 2chw n PHE 993 Ca 0.05 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.71 2chw n PHE 993 Cb 0.22 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.93 2chw n PHE 993 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2chw n VAL 994 N -0.71 0.68 0.18 -2.13 0.31 -0.81 -4.10 118.33 111.74 2chw n VAL 994 Ca 0.05 -0.53 0.05 0.00 -0.01 0.00 0.00 64.34 63.90 2chw n VAL 994 Cb 0.02 -0.38 0.31 0.00 -0.91 0.00 0.00 33.84 32.88 2chw n VAL 994 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2chw h MET 995 N 0.00 0.00 0.00 5.55 2.86 -0.42 -3.47 114.93 119.45 2chw h MET 995 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2chw h MET 995 Cb 1.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.18 2chw h MET 995 CO 0.01 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.80 2chw n GLY 996 N 0.24 1.10 3.77 8.32 0.00 -0.27 -3.55 105.19 114.82 2chw n GLY 996 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2chw n GLY 996 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2chw s THR 997 N -2.00 4.43 -0.52 2.61 2.01 -0.95 -4.76 115.64 116.45 2chw s THR 997 Ca 0.00 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.10 2chw s THR 997 Cb 0.00 -3.20 0.31 0.00 0.01 0.00 0.00 72.50 69.62 2chw s THR 997 CO 0.00 -0.00 0.81 -1.20 -0.69 0.00 0.00 174.62 173.54 2chw n SER 998 N 0.04 3.02 0.00 3.53 7.64 -1.26 -3.87 113.62 122.72 2chw n SER 998 Ca -0.09 -3.37 0.00 0.00 1.01 0.00 0.00 58.87 56.42 2chw n SER 998 Cb 0.53 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2chw n SER 998 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2chw n GLY 999 N 0.30 1.19 0.22 0.23 0.00 -1.26 -4.33 105.19 101.53 2chw n GLY 999 Ca 0.28 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 2chw n GLY 999 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2chw n LYS 1000N 0.00 0.26 -0.48 1.61 4.01 -1.26 -5.02 118.16 117.28 2chw n LYS 1000Ca 0.00 0.08 -0.29 0.00 -0.51 0.00 0.00 58.31 57.59 2chw n LYS 1000Cb 0.00 -1.13 0.24 0.00 -0.51 0.00 0.00 35.03 33.63 2chw n LYS 1000CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2chw n LYS 1001N -3.02 -2.73 -3.37 1.97 4.81 -1.26 -5.05 118.16 109.51 2chw n LYS 1001Ca -0.20 -0.78 -0.16 0.00 -0.87 0.00 0.00 58.31 56.30 2chw n LYS 1001Cb 0.69 -1.97 -0.08 0.00 0.02 0.00 0.00 35.03 33.69 2chw n LYS 1001CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 2chw s THR 1002N -2.29 -0.42 0.36 3.15 2.01 -1.26 -4.76 115.64 112.43 2chw s THR 1002Ca 0.64 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 2chw s THR 1002Cb -0.19 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2chw s THR 1002CO 0.63 -0.47 0.59 -0.94 -0.69 0.00 0.00 174.62 173.74 2chw s SER 1003N 2.10 6.32 0.43 3.53 1.04 -1.26 -4.82 113.70 121.04 2chw s SER 1003Ca 0.12 0.60 0.29 0.00 0.48 0.00 0.00 55.95 57.43 2chw s SER 1003Cb -0.14 -2.10 1.39 0.00 0.10 0.00 0.00 66.02 65.27 2chw s SER 1003CO -0.23 -0.32 1.64 -0.65 0.98 0.00 0.00 173.24 174.65 2chw h PRO 1004N 0.87 0.11 0.00 4.02 0.11 -1.99 0.45 132.00 135.58 2chw h PRO 1004Ca -0.49 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 2chw h PRO 1004Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2chw h PRO 1004CO 0.63 0.08 -0.82 0.45 -0.21 0.00 0.00 178.00 178.12 2chw h HIS 1005N 0.12 0.00 0.07 0.65 3.86 -1.94 -2.58 115.15 115.33 2chw h HIS 1005Ca 0.79 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 60.00 2chw h HIS 1005Cb 2.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.92 2chw h HIS 1005CO -0.01 0.82 -0.03 0.35 0.86 0.00 0.00 177.93 179.92 2chw h PHE 1006N 0.00 -0.09 -0.97 2.45 3.57 -0.24 -2.12 116.94 119.55 2chw h PHE 1006Ca -0.01 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.73 2chw h PHE 1006Cb 1.46 0.03 -0.18 0.00 2.79 0.00 0.00 35.95 40.05 2chw h PHE 1006CO 0.00 0.48 -0.05 1.96 -2.23 0.00 0.00 178.31 178.48 2chw h GLN 1007N -0.87 0.01 -0.06 1.11 4.20 -1.18 0.85 115.11 119.18 2chw h GLN 1007Ca -0.01 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2chw h GLN 1007Cb 0.61 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.33 2chw h GLN 1007CO 0.02 0.01 -0.29 -0.22 -0.67 0.00 0.00 178.83 177.68 2chw h LYS 1008N 0.02 -0.39 -0.55 1.46 3.64 -1.45 0.83 116.57 120.13 2chw h LYS 1008Ca 0.55 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 60.00 2chw h LYS 1008Cb 1.05 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 2chw h LYS 1008CO -0.92 -0.26 0.28 0.35 -2.27 0.00 0.00 179.45 176.63 2chw h PHE 1009N -0.40 0.52 -0.81 1.91 3.57 0.13 0.10 116.94 121.96 2chw h PHE 1009Ca 0.08 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2chw h PHE 1009Cb 0.52 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2chw h PHE 1009CO -0.35 0.25 0.40 1.96 -2.23 0.00 0.00 178.31 178.34 2chw h GLN 1010N 0.54 1.16 -0.18 1.11 4.20 -0.77 -2.55 115.11 118.62 2chw h GLN 1010Ca 0.24 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2chw h GLN 1010Cb 0.15 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 2chw h GLN 1010CO -0.16 0.89 -0.17 0.22 -0.67 0.00 0.00 178.83 178.94 2chw h ASP 1011N 1.14 -0.53 0.31 1.46 1.82 0.78 -3.02 116.42 118.38 2chw h ASP 1011Ca 0.28 0.10 -0.10 0.00 -0.39 0.00 0.00 57.03 56.92 2chw h ASP 1011Cb 0.10 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 2chw h ASP 1011CO -0.04 -0.21 -0.42 0.40 -1.61 0.00 0.00 179.24 177.36 2chw h ILE 1012N -0.18 1.31 0.62 2.25 2.04 -0.54 -2.57 117.51 120.45 2chw h ILE 1012Ca 0.11 -1.53 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 2chw h ILE 1012Cb 0.35 1.73 0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2chw h ILE 1012CO -0.29 0.45 -0.30 0.00 0.00 0.00 0.00 178.15 178.01 2chw h VAL 1014N -1.06 0.19 -0.44 0.00 2.07 -1.56 1.92 116.25 117.37 2chw h VAL 1014Ca -0.09 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2chw h VAL 1014Cb 0.64 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2chw h VAL 1014CO 0.14 0.02 0.18 0.11 0.02 0.00 0.00 177.57 178.05 2chw h LYS 1015N 0.12 0.65 -0.13 1.57 1.57 -1.30 -2.11 116.57 116.95 2chw h LYS 1015Ca 0.60 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 59.15 2chw h LYS 1015Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2chw h LYS 1015CO -0.75 0.59 -0.38 0.00 -0.57 0.00 0.00 179.45 178.35 2chw h ALA 1016N 1.03 0.22 0.04 3.86 0.00 0.20 -3.01 119.26 121.60 2chw h ALA 1016Ca 0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2chw h ALA 1016Cb 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2chw h ALA 1016CO -0.01 0.31 -0.02 -0.92 0.00 0.00 0.00 179.25 178.60 2chw h TYR 1017N 0.09 -0.06 0.00 0.00 3.20 0.29 -1.96 116.97 118.52 2chw h TYR 1017Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2chw h TYR 1017Cb 1.00 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.29 2chw h TYR 1017CO 0.11 -0.04 0.00 1.47 -1.64 0.00 0.00 178.16 178.06 2chw n LEU 1018N -2.26 0.00 -0.00 2.82 -0.00 -0.80 0.33 117.00 117.09 2chw n LEU 1018Ca -0.01 0.45 -0.12 0.00 -0.00 0.00 0.00 56.01 56.33 2chw n LEU 1018Cb 0.02 -0.45 0.01 0.00 -0.00 0.00 0.00 43.42 43.01 2chw n LEU 1018CO 0.02 -0.31 0.40 0.00 -0.00 0.00 0.00 177.39 177.49 2chw h ALA 1019N 2.33 0.56 -0.36 1.47 0.00 -1.37 -2.91 119.26 118.97 2chw h ALA 1019Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2chw h ALA 1019Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2chw h ALA 1019CO 0.00 0.70 -0.18 -0.07 0.00 0.00 0.00 179.25 179.71 2chw h LEU 1020N 0.46 0.66 -2.04 0.00 3.38 0.67 -2.76 115.31 115.68 2chw h LEU 1020Ca -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2chw h LEU 1020Cb 1.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2chw h LEU 1020CO 0.12 0.84 -0.09 0.03 0.09 0.00 0.00 178.44 179.44 2chw h ARG 1021N 0.59 0.00 0.00 1.13 3.08 -1.46 0.74 114.38 118.47 2chw h ARG 1021Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2chw h ARG 1021Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2chw h ARG 1021CO 0.04 0.09 0.00 0.72 -1.07 0.00 0.00 179.97 179.75 2chw n HIS 1022N -3.57 0.53 -1.33 3.04 8.25 -1.04 -2.70 115.22 118.41 2chw n HIS 1022Ca -0.02 0.20 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 2chw n HIS 1022Cb 0.21 -0.82 0.18 0.00 1.12 0.00 0.00 29.99 30.68 2chw n HIS 1022CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2chw n HIS 1023N -1.98 0.17 -0.16 4.41 8.25 0.25 -4.88 115.22 121.29 2chw n HIS 1023Ca 0.03 -1.26 -0.05 0.00 -0.26 0.00 0.00 57.72 56.18 2chw n HIS 1023Cb 0.23 -0.24 0.02 0.00 1.12 0.00 0.00 29.99 31.12 2chw n HIS 1023CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2chw h THR 1024N 0.65 0.30 -0.48 1.59 2.02 -1.21 -1.66 112.91 114.12 2chw h THR 1024Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.26 2chw h THR 1024Cb 1.10 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 2chw h THR 1024CO 0.05 0.00 0.20 0.78 0.37 0.00 0.00 175.52 176.92 2chw h ASN 1025N -0.13 0.25 -0.31 4.18 4.21 -1.90 -1.23 115.58 120.65 2chw h ASN 1025Ca 0.23 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.83 2chw h ASN 1025Cb 0.49 0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.66 2chw h ASN 1025CO -0.58 0.17 0.07 0.25 -1.29 0.00 0.00 177.43 176.05 2chw h LEU 1026N 0.40 0.03 -0.80 1.61 6.46 -1.62 -1.93 115.31 119.46 2chw h LEU 1026Ca 0.22 0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 57.92 2chw h LEU 1026Cb 0.19 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2chw h LEU 1026CO -0.20 0.05 -0.30 -0.07 -0.62 0.00 0.00 178.44 177.30 2chw h LEU 1027N 0.18 0.58 0.05 2.25 3.38 -1.04 -1.00 115.31 119.70 2chw h LEU 1027Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2chw h LEU 1027Cb 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2chw h LEU 1027CO -0.18 0.85 -0.02 0.40 0.09 0.00 0.00 178.44 179.57 2chw h ILE 1028N 0.48 1.10 -0.57 1.22 2.04 -0.92 0.12 117.51 120.98 2chw h ILE 1028Ca 0.06 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2chw h ILE 1028Cb 0.77 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2chw h ILE 1028CO 0.06 0.12 0.29 0.40 0.00 0.00 0.00 178.15 179.02 2chw h ILE 1029N -0.28 1.20 -0.31 -0.67 1.08 -1.23 -1.17 117.51 116.13 2chw h ILE 1029Ca -0.01 -0.54 0.03 0.00 -0.39 0.00 0.00 64.86 63.95 2chw h ILE 1029Cb 0.25 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.48 2chw h ILE 1029CO 0.01 0.22 0.11 -0.07 -0.69 0.00 0.00 178.15 177.73 2chw h LEU 1030N 0.77 0.13 -1.08 1.44 3.38 -1.11 -0.11 115.31 118.72 2chw h LEU 1030Ca 0.20 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2chw h LEU 1030Cb 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2chw h LEU 1030CO -0.03 0.11 0.05 0.15 0.09 0.00 0.00 178.44 178.81 2chw h PHE 1031N 0.25 0.73 0.09 1.13 3.57 -0.70 0.22 116.94 122.23 2chw h PHE 1031Ca 0.14 -0.08 -0.24 0.00 3.53 0.00 0.00 57.97 61.32 2chw h PHE 1031Cb 0.10 -0.21 0.02 0.00 2.79 0.00 0.00 35.95 38.65 2chw h PHE 1031CO -0.13 0.66 -0.99 1.03 -2.23 0.00 0.00 178.31 176.65 2chw h SER 1032N 0.67 0.70 -0.40 0.41 0.87 -0.66 -0.59 113.55 114.56 2chw h SER 1032Ca 0.14 -0.84 0.01 0.00 -1.23 0.00 0.00 61.79 59.88 2chw h SER 1032Cb 0.34 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2chw h SER 1032CO 0.01 1.47 0.26 0.24 -0.53 0.00 0.00 176.83 178.27 2chw h MET 1033N 0.04 0.51 -0.35 2.24 2.86 -0.90 -2.00 114.93 117.32 2chw h MET 1033Ca -0.15 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.54 2chw h MET 1033Cb 1.70 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 33.17 2chw h MET 1033CO 0.19 0.34 -0.20 1.98 1.06 0.00 0.00 176.91 180.27 2chw h MET 1034N 0.52 -0.14 -0.64 1.72 -1.53 -0.31 -1.14 114.93 113.41 2chw h MET 1034Ca 0.15 0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.48 2chw h MET 1034Cb -0.04 0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 30.99 2chw h MET 1034CO -0.05 -0.10 0.35 -0.07 0.14 0.00 0.00 176.91 177.19 2chw h LEU 1035N -0.15 0.52 -0.21 3.39 3.38 -0.82 -2.16 115.31 119.27 2chw h LEU 1035Ca 0.18 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 2chw h LEU 1035Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2chw h LEU 1035CO -0.44 0.34 -0.90 0.24 0.09 0.00 0.00 178.44 177.76 2chw h MET 1036N 0.66 0.02 -0.01 1.13 2.86 -0.60 -3.08 114.93 115.90 2chw h MET 1036Ca 0.29 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2chw h MET 1036Cb 0.17 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2chw h MET 1036CO -0.18 0.91 -0.28 0.25 1.06 0.00 0.00 176.91 178.67 2chw n THR 1037N -3.49 0.00 -0.90 2.22 -2.24 -0.50 -0.75 114.28 108.61 2chw n THR 1037Ca -0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2chw n THR 1037Cb 0.85 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 2chw n THR 1037CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2chw n GLY 1038N 1.10 1.00 3.96 3.38 0.00 -0.82 -4.99 105.19 108.83 2chw n GLY 1038Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 2chw n GLY 1038CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2chw s MET 1039N 0.00 2.66 0.00 1.61 1.00 -1.16 -4.47 119.30 118.94 2chw s MET 1039Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 55.69 54.29 2chw s MET 1039Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 34.83 32.23 2chw s MET 1039CO 0.00 -0.31 0.26 -2.30 0.00 0.00 0.00 175.02 172.67 2chw n PRO 1040N -1.78 0.00 -3.62 2.03 -0.01 -1.26 -4.89 135.00 125.46 2chw n PRO 1040Ca 0.07 0.26 -0.04 0.00 -0.01 0.00 0.00 63.50 63.78 2chw n PRO 1040Cb 0.60 -0.75 -0.06 0.00 -0.01 0.00 0.00 33.50 33.28 2chw n PRO 1040CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 175.50 174.35 2chw s GLN 1041N -0.53 0.58 -0.02 -0.52 2.00 -1.26 -5.09 119.66 114.81 2chw s GLN 1041Ca 0.00 1.12 0.02 0.00 -2.00 0.00 0.00 55.36 54.50 2chw s GLN 1041Cb 0.00 0.32 0.01 0.00 0.80 0.00 0.00 33.01 34.13 2chw s GLN 1041CO 0.00 -0.14 -0.07 -0.48 -0.50 0.00 0.00 175.29 174.10 2chw s LEU 1042N 1.93 1.72 0.01 3.68 -0.00 -1.26 -5.12 118.68 119.64 2chw s LEU 1042Ca -0.08 -0.15 -0.30 0.00 -0.00 0.00 0.00 54.13 53.60 2chw s LEU 1042Cb -0.06 -0.45 -0.04 0.00 -0.00 0.00 0.00 46.19 45.63 2chw s LEU 1042CO -0.19 0.03 1.12 0.42 -0.00 0.00 0.00 176.35 177.74 2chw s THR 1043N 0.30 4.38 0.00 5.48 -4.23 -1.26 -4.56 115.64 115.74 2chw s THR 1043Ca -0.04 1.71 0.00 0.00 -1.18 0.00 0.00 61.69 62.18 2chw s THR 1043Cb -0.08 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.66 2chw s THR 1043CO 0.00 0.10 0.05 -1.20 -0.54 0.00 0.00 174.62 173.03 2chw n SER 1044N 4.18 0.13 0.00 3.99 7.64 -1.26 -3.12 113.62 125.18 2chw n SER 1044Ca 0.08 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.37 2chw n SER 1044Cb 0.48 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2chw n SER 1044CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2chw n LYS 1045N 1.52 0.00 -0.34 1.43 4.81 -1.26 -5.01 118.16 119.31 2chw n LYS 1045Ca 0.00 0.00 0.32 0.00 -0.87 0.00 0.00 58.31 57.76 2chw n LYS 1045Cb 0.02 0.00 0.56 0.00 0.02 0.00 0.00 35.03 35.63 2chw n LYS 1045CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2chw n GLU 1046N 0.00 -0.05 -0.03 1.64 4.71 -1.25 -1.41 120.64 124.25 2chw n GLU 1046Ca 0.00 1.21 -0.03 0.00 -0.01 0.00 0.00 57.16 58.33 2chw n GLU 1046Cb 0.00 -2.25 -0.03 0.00 -1.01 0.00 0.00 31.44 28.15 2chw n GLU 1046CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2chw h ASP 1047N 0.00 -0.04 -0.49 1.62 3.32 -1.93 -3.36 116.42 115.55 2chw h ASP 1047Ca 0.78 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.65 2chw h ASP 1047Cb 2.23 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 41.76 2chw h ASP 1047CO -0.60 0.55 0.31 0.40 -1.72 0.00 0.00 179.24 178.18 2chw h ILE 1048N -1.00 1.10 0.00 0.35 1.08 -1.51 -2.79 117.51 114.73 2chw h ILE 1048Ca -0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2chw h ILE 1048Cb 0.22 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 2chw h ILE 1048CO 0.01 0.11 0.00 -0.62 -0.69 0.00 0.00 178.15 176.96 2chw n GLU 1049N -4.77 0.56 0.10 2.37 1.02 -0.50 -2.54 120.64 116.88 2chw n GLU 1049Ca 0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 2chw n GLU 1049Cb 0.04 -1.25 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 2chw n GLU 1049CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2chw h TYR 1050N 0.64 0.81 0.00 -0.32 3.20 -1.64 -3.38 116.97 116.29 2chw h TYR 1050Ca 0.00 -0.59 -0.07 0.00 3.14 0.00 0.00 58.73 61.21 2chw h TYR 1050Cb 0.40 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2chw h TYR 1050CO 0.00 1.60 -0.33 0.97 -1.64 0.00 0.00 178.16 178.76 2chw h ILE 1051N 0.06 0.83 0.00 1.81 2.10 -1.74 -2.47 117.51 118.11 2chw h ILE 1051Ca -0.29 -1.35 0.03 0.00 1.08 0.00 0.00 64.86 64.33 2chw h ILE 1051Cb 2.08 1.83 -0.05 0.00 -1.09 0.00 0.00 36.82 39.59 2chw h ILE 1051CO 0.21 0.32 -0.32 -0.09 -1.08 0.00 0.00 178.15 177.20 2chw h ARG 1052N 0.00 -0.45 -0.36 2.19 2.43 -1.77 -1.17 114.38 115.26 2chw h ARG 1052Ca -0.00 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2chw h ARG 1052Cb 0.81 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 2chw h ARG 1052CO 0.04 -0.30 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.53 2chw h ASP 1053N -0.47 0.72 -0.17 -3.80 3.45 -1.67 -1.08 116.42 113.41 2chw h ASP 1053Ca 0.06 -0.26 -0.04 0.00 0.43 0.00 0.00 57.03 57.23 2chw h ASP 1053Cb 0.55 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 2chw h ASP 1053CO -0.26 0.93 -0.04 0.00 -1.57 0.00 0.00 179.24 178.30 2chw h ALA 1054N 1.12 0.23 0.00 3.45 0.00 -1.35 -0.83 119.26 121.88 2chw h ALA 1054Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2chw h ALA 1054Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2chw h ALA 1054CO 0.06 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2chw n LEU 1055N -4.68 0.10 -4.02 0.00 4.77 -0.45 -4.89 117.00 107.83 2chw n LEU 1055Ca -0.05 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.61 2chw n LEU 1055Cb 0.26 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 2chw n LEU 1055CO 0.37 0.02 -0.37 1.07 -1.33 0.00 0.00 177.39 177.15 2chw n THR 1056N -0.45 -0.98 -1.52 -5.08 5.66 -0.32 -4.81 114.28 106.79 2chw n THR 1056Ca 0.00 -0.43 -0.43 0.00 -3.05 0.00 0.00 64.05 60.15 2chw n THR 1056Cb 0.02 -0.94 -0.00 0.00 -1.55 0.00 0.00 70.33 67.86 2chw n THR 1056CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2chw n VAL 1057N -4.04 2.00 0.00 1.08 0.31 -0.55 -2.21 118.33 114.92 2chw n VAL 1057Ca -0.26 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 2chw n VAL 1057Cb 0.57 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 2chw n VAL 1057CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2chw n GLY 1058N 1.54 2.91 3.79 2.92 0.00 -1.26 -4.97 105.19 110.11 2chw n GLY 1058Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2chw n GLY 1058CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2chw s LYS 1059N -0.16 3.92 0.67 1.61 -0.14 -0.94 -5.04 119.74 119.66 2chw s LYS 1059Ca 0.00 1.45 -0.14 0.00 -1.36 0.00 0.00 55.97 55.92 2chw s LYS 1059Cb 0.00 -2.28 0.01 0.00 -1.68 0.00 0.00 37.83 33.88 2chw s LYS 1059CO 0.00 -0.34 1.10 0.54 -0.76 0.00 0.00 175.35 175.89 2chw s ASN 1060N -1.78 5.07 0.58 2.83 2.20 -1.26 -4.90 114.94 117.68 2chw s ASN 1060Ca 0.64 1.95 0.30 0.00 -0.94 0.00 0.00 52.86 54.81 2chw s ASN 1060Cb -0.19 -2.54 1.44 0.00 -2.00 0.00 0.00 41.25 37.95 2chw s ASN 1060CO 0.24 -1.66 1.83 -0.33 -2.94 0.00 0.00 177.10 174.25 2chw h GLU 1061N -0.13 0.00 0.39 3.55 5.08 -1.98 -2.84 114.58 118.65 2chw h GLU 1061Ca -0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2chw h GLU 1061Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2chw h GLU 1061CO 0.54 0.00 -0.19 0.93 -1.00 0.00 0.00 179.01 179.29 2chw h GLU 1062N 0.00 -0.50 -0.74 2.33 4.39 -2.01 -2.89 114.58 115.16 2chw h GLU 1062Ca 0.31 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.20 2chw h GLU 1062Cb 1.53 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 30.19 2chw h GLU 1062CO -0.00 -0.33 0.22 -0.44 -1.16 0.00 0.00 179.01 177.29 2chw h ASP 1063N -1.05 0.11 -0.37 1.42 3.32 -1.89 -2.90 116.42 115.06 2chw h ASP 1063Ca -0.05 0.13 0.08 0.00 0.02 0.00 0.00 57.03 57.21 2chw h ASP 1063Cb 0.40 0.16 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 2chw h ASP 1063CO 0.09 0.01 -0.31 0.00 -1.72 0.00 0.00 179.24 177.31 2chw h ALA 1064N 1.58 -0.16 -0.76 3.45 0.00 -1.47 0.55 119.26 122.45 2chw h ALA 1064Ca 0.41 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.47 2chw h ALA 1064Cb 0.68 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 2chw h ALA 1064CO -0.47 -0.71 0.46 -0.22 0.00 0.00 0.00 179.25 178.32 2chw h LYS 1065N -0.25 0.84 -0.44 0.00 3.64 -1.34 -1.01 116.57 118.00 2chw h LYS 1065Ca 0.17 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2chw h LYS 1065Cb 0.52 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2chw h LYS 1065CO -0.51 0.56 0.24 -0.22 -2.27 0.00 0.00 179.45 177.25 2chw h LYS 1066N 0.87 0.62 -0.31 1.90 1.63 -0.83 0.33 116.57 120.77 2chw h LYS 1066Ca 0.33 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2chw h LYS 1066Cb 0.12 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 2chw h LYS 1066CO -0.15 0.49 0.15 -0.92 -3.45 0.00 0.00 179.45 175.57 2chw h TYR 1067N 0.58 0.28 -0.25 1.91 5.03 0.51 -2.41 116.97 122.61 2chw h TYR 1067Ca 0.16 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.39 2chw h TYR 1067Cb 0.05 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.24 2chw h TYR 1067CO -0.02 0.15 -0.21 0.35 -1.32 0.00 0.00 178.16 177.11 2chw h PHE 1068N 0.32 0.69 0.00 -3.82 3.57 -0.98 -2.68 116.94 114.03 2chw h PHE 1068Ca 0.13 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2chw h PHE 1068Cb 0.04 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2chw h PHE 1068CO -0.10 0.89 0.00 -0.07 -2.23 0.00 0.00 178.31 176.80 2chw h LEU 1069N 0.29 0.00 0.07 0.59 3.38 -0.84 -1.51 115.31 117.29 2chw h LEU 1069Ca 0.04 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.71 2chw h LEU 1069Cb 0.75 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2chw h LEU 1069CO 0.05 0.00 -1.67 0.44 0.09 0.00 0.00 178.44 177.35 2chw h ASP 1070N 0.00 0.24 -0.38 -0.43 3.45 -1.23 -3.28 116.42 114.79 2chw h ASP 1070Ca 0.00 -0.42 0.07 0.00 0.43 0.00 0.00 57.03 57.11 2chw h ASP 1070Cb 0.04 -0.08 -0.06 0.00 -0.56 0.00 0.00 39.33 38.67 2chw h ASP 1070CO 0.00 1.36 0.02 1.56 -1.57 0.00 0.00 179.24 180.61 2chw h GLN 1071N 0.04 0.12 -0.73 3.56 1.08 -0.95 0.70 115.11 118.93 2chw h GLN 1071Ca -0.29 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.04 2chw h GLN 1071Cb 2.01 -0.03 -0.14 0.00 -0.05 0.00 0.00 27.48 29.27 2chw h GLN 1071CO 0.11 0.08 -0.25 0.82 -0.95 0.00 0.00 178.83 178.64 2chw h ILE 1072N 0.12 0.19 -0.15 2.54 2.04 -1.63 -1.30 117.51 119.33 2chw h ILE 1072Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 2chw h ILE 1072Cb 0.25 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2chw h ILE 1072CO -0.29 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 177.63 2chw h GLU 1073N -0.05 0.08 -0.06 2.37 4.39 -0.95 0.22 114.58 120.57 2chw h GLU 1073Ca 0.32 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.94 2chw h GLU 1073Cb 0.56 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2chw h GLU 1073CO -0.77 0.05 -0.33 0.28 -1.16 0.00 0.00 179.01 177.08 2chw h VAL 1074N 0.08 1.26 0.01 3.13 2.07 -0.43 0.33 116.25 122.71 2chw h VAL 1074Ca 0.07 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 2chw h VAL 1074Cb 0.16 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2chw h VAL 1074CO -0.01 0.37 -0.00 0.00 0.02 0.00 0.00 177.57 177.94 2chw h ARG 1076N -0.51 0.00 0.03 0.00 2.47 -1.17 -2.08 114.38 113.11 2chw h ARG 1076Ca -0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 2chw h ARG 1076Cb 0.50 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.83 2chw h ARG 1076CO 0.00 0.00 -0.68 0.22 0.56 0.00 0.00 179.97 180.07 2chw h ASP 1077N 0.00 0.55 0.00 7.04 3.58 -0.77 -3.39 116.42 123.43 2chw h ASP 1077Ca 0.24 -0.80 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2chw h ASP 1077Cb 1.10 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2chw h ASP 1077CO -0.00 1.28 -0.85 0.29 -2.88 0.00 0.00 179.24 177.08 2chw n LYS 1078N -4.17 2.01 0.00 0.28 5.02 -1.03 -5.00 118.16 115.27 2chw n LYS 1078Ca -0.11 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2chw n LYS 1078Cb 0.72 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 2chw n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2chw n GLY 1079N 1.40 0.47 0.51 0.72 0.00 -0.81 -1.07 105.19 106.40 2chw n GLY 1079Ca 0.02 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.42 2chw n GLY 1079CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2chw n TRP 1080N 0.00 0.26 -0.02 1.61 7.02 -1.26 -4.63 117.44 120.42 2chw n TRP 1080Ca 0.00 -0.31 -0.10 0.00 -1.02 0.00 0.00 57.50 56.07 2chw n TRP 1080Cb 0.00 -0.02 -0.07 0.00 -2.42 0.00 0.00 31.31 28.80 2chw n TRP 1080CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 2chw h THR 1081N 1.86 0.00 0.09 -0.99 2.02 -1.53 -2.60 112.91 111.76 2chw h THR 1081Ca 0.00 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.93 2chw h THR 1081Cb 0.60 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2chw h THR 1081CO 0.00 0.00 -1.14 0.58 0.37 0.00 0.00 175.52 175.33 2chw h VAL 1082N -0.37 1.50 -0.23 3.16 2.07 -1.86 -3.06 116.25 117.46 2chw h VAL 1082Ca 0.03 -2.96 0.04 0.00 0.82 0.00 0.00 66.70 64.62 2chw h VAL 1082Cb 0.45 2.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 2chw h VAL 1082CO -0.31 0.87 -0.54 1.56 0.02 0.00 0.00 177.57 179.16 2chw h GLN 1083N 0.09 -0.50 -0.67 1.57 1.08 -1.86 -1.03 115.11 113.79 2chw h GLN 1083Ca -0.11 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.23 2chw h GLN 1083Cb 1.85 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 29.35 2chw h GLN 1083CO 0.19 -0.33 0.45 0.35 -0.95 0.00 0.00 178.83 178.53 2chw h PHE 1084N -0.51 0.56 0.00 2.96 3.57 -1.53 -3.01 116.94 118.97 2chw h PHE 1084Ca 0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2chw h PHE 1084Cb 0.65 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2chw h PHE 1084CO -0.63 0.26 0.12 -0.91 -2.23 0.00 0.00 178.31 174.93 2chw h ASN 1085N 0.52 0.00 0.00 0.41 2.35 -1.07 -1.80 115.58 115.99 2chw h ASN 1085Ca 0.31 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2chw h ASN 1085Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2chw h ASN 1085CO -0.10 0.00 -0.00 -0.25 -1.65 0.00 0.00 177.43 175.43 2chw h TRP 1086N 0.00 -0.00 0.00 1.19 7.01 -1.57 -2.70 115.95 119.88 2chw h TRP 1086Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2chw h TRP 1086Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2chw h TRP 1086CO 0.00 0.00 -0.04 1.19 -2.79 0.00 0.00 178.44 176.80 2chw n PHE 1087N -5.09 0.62 0.22 2.65 3.01 -0.69 -3.00 117.46 115.19 2chw n PHE 1087Ca -0.07 0.18 -0.13 0.00 1.01 0.00 0.00 57.45 58.44 2chw n PHE 1087Cb 0.03 -0.78 -0.07 0.00 -0.01 0.00 0.00 39.48 38.65 2chw n PHE 1087CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2chw h LEU 1088N 0.00 -0.51 -3.56 4.37 6.46 -1.43 -3.15 115.31 117.49 2chw h LEU 1088Ca 0.00 -0.09 -0.23 0.00 -0.12 0.00 0.00 57.88 57.44 2chw h LEU 1088Cb 0.66 0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 40.63 2chw h LEU 1088CO 0.00 -0.12 0.17 1.41 -0.62 0.00 0.00 178.44 179.28 2chw n HIS 1089N -5.21 0.85 -0.01 1.25 8.25 -1.03 -3.41 115.22 115.91 2chw n HIS 1089Ca -0.10 -1.60 -0.16 0.00 -0.26 0.00 0.00 57.72 55.60 2chw n HIS 1089Cb 0.30 -0.97 -0.11 0.00 1.12 0.00 0.00 29.99 30.32 2chw n HIS 1089CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2chw h LEU 1090N 3.24 0.39 -2.17 2.41 3.38 -1.49 -3.40 115.31 117.67 2chw h LEU 1090Ca 0.20 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2chw h LEU 1090Cb 1.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2chw h LEU 1090CO 0.47 1.12 0.00 1.33 0.09 0.00 0.00 178.44 181.44 2chw n VAL 1091N -4.34 0.54 -1.00 1.22 0.24 -1.22 -5.13 118.33 108.63 2chw n VAL 1091Ca -0.10 -0.77 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 2chw n VAL 1091Cb 0.60 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 2chw n VAL 1091CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58