#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ml8 n GLU 145 N 0.00 1.89 0.00 -1.46 0.00 -1.26 -4.46 120.64 115.35 3ml8 n GLU 145 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 3ml8 n GLU 145 Cb 0.00 -0.69 0.12 0.00 0.00 0.00 0.00 31.44 30.87 3ml8 n GLU 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ml8 n GLU 146 N -1.01 0.35 -0.11 5.31 -0.58 -1.26 0.19 120.64 123.54 3ml8 n GLU 146 Ca 0.00 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3ml8 n GLU 146 Cb 0.16 -1.18 0.11 0.00 -0.57 0.00 0.00 31.44 29.96 3ml8 n GLU 146 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3ml8 n SER 147 N -0.68 2.50 -0.00 1.62 3.41 -1.26 -4.36 113.62 114.83 3ml8 n SER 147 Ca 0.03 -2.66 -0.00 0.00 -0.26 0.00 0.00 58.87 55.98 3ml8 n SER 147 Cb 0.01 -0.30 -0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3ml8 n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ml8 n GLN 148 N -0.87 2.18 0.05 4.33 6.02 0.50 -4.50 117.38 125.09 3ml8 n GLN 148 Ca 0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.94 3ml8 n GLN 148 Cb 0.54 -1.01 -0.14 0.00 1.02 0.00 0.00 30.24 30.65 3ml8 n GLN 148 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ml8 h ALA 149 N 0.01 0.31 -0.48 -1.58 0.00 -1.19 -3.35 119.26 112.99 3ml8 h ALA 149 Ca -0.01 -1.15 0.05 0.00 0.00 0.00 0.00 54.91 53.80 3ml8 h ALA 149 Cb 1.02 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.04 3ml8 h ALA 149 CO -0.00 1.18 -0.56 0.35 0.00 0.00 0.00 179.25 180.22 3ml8 h PHE 150 N 0.06 -1.73 0.00 0.00 3.57 -1.77 0.45 116.94 117.52 3ml8 h PHE 150 Ca -0.26 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3ml8 h PHE 150 Cb 2.02 0.82 0.00 0.00 2.79 0.00 0.00 35.95 41.57 3ml8 h PHE 150 CO 0.06 -0.48 0.56 0.37 -2.23 0.00 0.00 178.31 176.59 3ml8 h GLN 151 N -0.35 0.00 0.01 1.11 5.75 -1.79 0.45 115.11 120.28 3ml8 h GLN 151 Ca 0.08 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.29 3ml8 h GLN 151 Cb 0.57 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.08 3ml8 h GLN 151 CO -0.64 0.00 -1.67 -0.09 -2.65 0.00 0.00 178.83 173.78 3ml8 h ARG 152 N 0.00 0.02 -0.00 1.69 2.43 -0.26 -2.88 114.38 115.38 3ml8 h ARG 152 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3ml8 h ARG 152 Cb 1.12 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3ml8 h ARG 152 CO 0.00 0.57 -0.03 0.37 -1.51 0.00 0.00 179.97 179.37 3ml8 h GLN 153 N 0.00 0.03 -0.77 0.20 4.15 0.10 -2.91 115.11 115.91 3ml8 h GLN 153 Ca -0.27 -0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.30 3ml8 h GLN 153 Cb 2.00 0.01 -0.12 0.00 0.21 0.00 0.00 27.48 29.58 3ml8 h GLN 153 CO 0.08 0.74 0.19 -0.07 -1.93 0.00 0.00 178.83 177.84 3ml8 h LEU 154 N -0.68 0.01 -1.25 -2.39 3.38 -1.56 0.41 115.31 113.22 3ml8 h LEU 154 Ca -0.00 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3ml8 h LEU 154 Cb 0.75 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3ml8 h LEU 154 CO 0.01 -0.06 0.23 0.74 0.09 0.00 0.00 178.44 179.45 3ml8 h THR 155 N 0.26 1.19 0.00 0.22 2.02 -1.54 0.02 112.91 115.08 3ml8 h THR 155 Ca 0.44 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3ml8 h THR 155 Cb 0.78 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3ml8 h THR 155 CO -0.54 0.22 -0.66 0.00 0.37 0.00 0.00 175.52 174.91 3ml8 h ALA 156 N 1.51 0.69 -0.45 6.16 0.00 -0.88 -0.95 119.26 125.33 3ml8 h ALA 156 Ca 0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ml8 h ALA 156 Cb 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ml8 h ALA 156 CO -0.02 0.08 -0.04 -0.07 0.00 0.00 0.00 179.25 179.21 3ml8 h LEU 157 N 0.00 0.81 -0.19 0.00 3.38 0.22 -3.29 115.31 116.25 3ml8 h LEU 157 Ca -0.01 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3ml8 h LEU 157 Cb 1.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ml8 h LEU 157 CO 0.01 0.94 -0.26 0.40 0.09 0.00 0.00 178.44 179.62 3ml8 h ILE 158 N 0.66 1.34 0.00 1.22 2.04 -0.93 -3.47 117.51 118.36 3ml8 h ILE 158 Ca 0.12 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3ml8 h ILE 158 Cb 0.55 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3ml8 h ILE 158 CO 0.03 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.24 3ml8 n GLY 159 N 0.29 0.65 3.43 5.37 0.00 -0.37 -4.86 105.19 109.69 3ml8 n GLY 159 Ca -0.06 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 3ml8 n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ml8 s TYR 160 N -2.00 -0.56 -0.71 1.61 5.04 -1.16 -4.92 117.35 114.66 3ml8 s TYR 160 Ca 0.00 1.29 -0.21 0.00 -2.44 0.00 0.00 57.07 55.71 3ml8 s TYR 160 Cb 0.00 0.21 0.09 0.00 0.35 0.00 0.00 41.96 42.61 3ml8 s TYR 160 CO 0.00 -0.33 0.95 0.34 -1.34 0.00 0.00 175.55 175.17 3ml8 s ASP 161 N -0.05 6.28 0.00 4.32 -1.08 -1.26 -4.74 116.67 120.14 3ml8 s ASP 161 Ca -0.03 -1.32 -0.25 0.00 -0.52 0.00 0.00 52.55 50.43 3ml8 s ASP 161 Cb -0.03 -2.39 -0.19 0.00 -1.46 0.00 0.00 42.92 38.84 3ml8 s ASP 161 CO 0.02 -1.29 1.35 -0.37 0.52 0.00 0.00 175.17 175.40 3ml8 h VAL 162 N 5.93 1.28 -1.02 1.11 -1.51 -1.94 -3.00 116.25 117.11 3ml8 h VAL 162 Ca -0.19 -0.90 0.29 0.00 -1.23 0.00 0.00 66.70 64.67 3ml8 h VAL 162 Cb 1.06 1.89 -0.04 0.00 -2.13 0.00 0.00 31.29 32.07 3ml8 h VAL 162 CO 1.15 0.23 0.89 0.71 -1.23 0.00 0.00 177.57 179.32 3ml8 h THR 163 N -0.41 0.26 -1.47 7.19 1.35 -1.99 -3.42 112.91 114.42 3ml8 h THR 163 Ca -0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.51 3ml8 h THR 163 Cb 0.40 0.34 0.19 0.00 -1.73 0.00 0.00 68.15 67.34 3ml8 h THR 163 CO 0.00 0.00 -1.47 -0.67 -0.25 0.00 0.00 175.52 173.13 3ml8 n ASP 164 N -3.80 -2.68 0.00 5.36 2.03 -1.13 -4.99 116.55 111.33 3ml8 n ASP 164 Ca 0.22 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3ml8 n ASP 164 Cb 1.22 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 3ml8 n ASP 164 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3ml8 n VAL 165 N -3.80 0.00 0.27 5.18 0.31 -1.26 -4.95 118.33 114.08 3ml8 n VAL 165 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.50 3ml8 n VAL 165 Cb 0.53 0.06 0.90 0.00 -0.91 0.00 0.00 33.84 34.42 3ml8 n VAL 165 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3ml8 h SER 166 N 0.00 0.00 -0.74 4.52 4.64 -1.98 -2.75 113.55 117.24 3ml8 h SER 166 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3ml8 h SER 166 Cb 0.29 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 61.96 3ml8 h SER 166 CO 0.00 0.00 -0.86 -3.20 -0.87 0.00 0.00 176.83 171.90 3ml8 n ASN 167 N -3.77 4.39 -4.57 4.97 5.15 -1.26 -5.01 115.26 115.17 3ml8 n ASN 167 Ca -0.01 -3.48 -0.26 0.00 -0.60 0.00 0.00 54.58 50.23 3ml8 n ASN 167 Cb 0.18 -0.37 -0.09 0.00 -0.53 0.00 0.00 39.78 38.97 3ml8 n ASN 167 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ml8 s VAL 168 N -4.52 3.15 -0.08 3.44 1.01 -1.04 -4.66 120.40 117.70 3ml8 s VAL 168 Ca 0.47 -1.79 0.13 0.00 0.00 0.00 0.00 61.98 60.79 3ml8 s VAL 168 Cb 0.40 -2.59 0.26 0.00 0.00 0.00 0.00 36.38 34.44 3ml8 s VAL 168 CO 0.02 -0.19 1.12 0.00 0.00 0.00 0.00 175.10 176.05 3ml8 n HIS 169 N -0.20 0.00 -0.47 5.22 1.44 -1.26 -5.08 115.22 114.87 3ml8 n HIS 169 Ca -0.09 -0.69 0.00 0.00 -2.01 0.00 0.00 57.72 54.93 3ml8 n HIS 169 Cb 0.57 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.54 3ml8 n HIS 169 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3ml8 n ASP 170 N -0.53 0.00 -2.30 4.39 5.68 -1.26 -5.05 116.55 117.47 3ml8 n ASP 170 Ca 0.10 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.08 3ml8 n ASP 170 Cb 0.77 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.80 3ml8 n ASP 170 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3ml8 n ASP 171 N 0.08 6.39 -0.03 -1.12 3.85 -1.26 -4.69 116.55 119.77 3ml8 n ASP 171 Ca 0.00 -3.77 -0.15 0.00 -0.71 0.00 0.00 54.79 50.15 3ml8 n ASP 171 Cb 0.00 -0.71 -0.09 0.00 -1.35 0.00 0.00 41.12 38.97 3ml8 n ASP 171 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3ml8 h GLU 172 N 2.24 0.44 0.26 0.11 4.81 -1.98 -1.89 114.58 118.57 3ml8 h GLU 172 Ca 0.49 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3ml8 h GLU 172 Cb 0.99 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3ml8 h GLU 172 CO 1.20 0.99 -0.17 -0.07 -0.73 0.00 0.00 179.01 180.23 3ml8 h LEU 173 N 0.00 -0.41 -0.91 1.64 3.38 -1.99 -0.64 115.31 116.38 3ml8 h LEU 173 Ca -0.03 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3ml8 h LEU 173 Cb 1.06 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 3ml8 h LEU 173 CO 0.09 -0.27 0.56 -0.33 0.09 0.00 0.00 178.44 178.58 3ml8 h GLU 174 N -0.41 0.93 -0.81 1.13 4.39 -1.91 0.34 114.58 118.24 3ml8 h GLU 174 Ca -0.02 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.73 3ml8 h GLU 174 Cb 0.35 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 3ml8 h GLU 174 CO 0.02 0.61 0.53 0.35 -1.16 0.00 0.00 179.01 179.36 3ml8 h PHE 175 N 0.96 0.77 0.09 4.33 3.57 -0.78 0.22 116.94 126.10 3ml8 h PHE 175 Ca 0.42 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.64 3ml8 h PHE 175 Cb 0.30 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3ml8 h PHE 175 CO -0.03 0.34 -1.52 1.15 -2.23 0.00 0.00 178.31 176.03 3ml8 h THR 176 N 0.70 1.15 0.08 4.41 2.02 0.10 0.28 112.91 121.65 3ml8 h THR 176 Ca 0.38 -2.83 0.02 0.00 0.77 0.00 0.00 66.41 64.75 3ml8 h THR 176 Cb 0.52 2.72 -0.05 0.00 -1.74 0.00 0.00 68.15 69.59 3ml8 h THR 176 CO -0.15 0.80 -0.42 0.03 0.37 0.00 0.00 175.52 176.15 3ml8 h ARG 177 N 0.05 -0.60 -0.67 6.66 3.08 -0.20 0.13 114.38 122.84 3ml8 h ARG 177 Ca -0.23 0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.97 3ml8 h ARG 177 Cb 1.99 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 32.06 3ml8 h ARG 177 CO 0.15 -0.40 -0.37 0.00 -1.07 0.00 0.00 179.97 178.28 3ml8 h ARG 178 N -0.62 -0.14 -0.77 0.04 3.08 -0.55 -2.08 114.38 113.34 3ml8 h ARG 178 Ca 0.03 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3ml8 h ARG 178 Cb 0.67 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 3ml8 h ARG 178 CO -0.27 -0.09 0.51 0.78 -1.07 0.00 0.00 179.97 179.83 3ml8 h GLY 179 N -0.14 1.07 2.00 0.04 0.00 0.15 -2.45 103.07 103.74 3ml8 h GLY 179 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3ml8 h GLY 179 CO -0.74 0.33 0.00 1.41 0.00 0.00 0.00 176.54 177.54 3ml8 h LEU 180 N 0.95 0.00 -1.20 3.11 3.38 -0.06 -3.17 115.31 118.33 3ml8 h LEU 180 Ca 0.30 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.53 3ml8 h LEU 180 Cb 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 3ml8 h LEU 180 CO -0.08 0.00 0.64 0.58 0.09 0.00 0.00 178.44 179.66 3ml8 h VAL 181 N 0.00 0.53 0.05 1.22 2.07 -1.37 0.25 116.25 119.00 3ml8 h VAL 181 Ca 0.00 -0.17 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 3ml8 h VAL 181 Cb 0.75 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3ml8 h VAL 181 CO 0.00 0.09 -0.79 0.74 0.02 0.00 0.00 177.57 177.63 3ml8 h THR 182 N 0.48 1.41 -0.09 2.57 2.02 -1.76 -1.52 112.91 116.03 3ml8 h THR 182 Ca 0.62 -2.25 -0.11 0.00 0.77 0.00 0.00 66.41 65.44 3ml8 h THR 182 Cb 1.38 2.72 -0.01 0.00 -1.74 0.00 0.00 68.15 70.50 3ml8 h THR 182 CO -0.38 0.66 -0.42 1.55 0.37 0.00 0.00 175.52 177.30 3ml8 h PRO 183 N -0.05 0.19 0.47 6.66 0.13 -1.65 0.22 132.00 137.97 3ml8 h PRO 183 Ca -0.11 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 3ml8 h PRO 183 Cb 1.52 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.62 3ml8 h PRO 183 CO 0.15 0.59 -0.46 -0.09 -0.23 0.00 0.00 178.00 177.97 3ml8 h ARG 184 N 0.16 -0.90 0.00 0.86 2.43 -0.91 -2.81 114.38 113.21 3ml8 h ARG 184 Ca 0.01 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3ml8 h ARG 184 Cb 0.82 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3ml8 h ARG 184 CO 0.06 -0.60 -0.22 0.52 -1.51 0.00 0.00 179.97 178.22 3ml8 h MET 185 N -0.93 0.00 0.00 0.20 2.86 -1.25 -2.56 114.93 113.25 3ml8 h MET 185 Ca -0.05 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 3ml8 h MET 185 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 3ml8 h MET 185 CO -0.05 0.22 -0.36 0.00 1.06 0.00 0.00 176.91 177.77 3ml8 h ALA 186 N 1.78 1.18 0.03 6.32 0.00 -0.87 -2.44 119.26 125.26 3ml8 h ALA 186 Ca -0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 3ml8 h ALA 186 Cb 0.80 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3ml8 h ALA 186 CO 0.03 0.45 -2.10 -1.91 0.00 0.00 0.00 179.25 175.72 3ml8 n GLU 187 N -3.79 0.68 -0.06 0.00 4.07 -1.04 -3.42 120.64 117.09 3ml8 n GLU 187 Ca -0.01 0.17 -0.11 0.00 -0.06 0.00 0.00 57.16 57.15 3ml8 n GLU 187 Cb 0.44 -1.65 -0.05 0.00 -0.06 0.00 0.00 31.44 30.12 3ml8 n GLU 187 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3ml8 h VAL 188 N 0.01 1.23 -0.17 6.31 2.07 -1.53 -1.17 116.25 123.01 3ml8 h VAL 188 Ca -0.44 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3ml8 h VAL 188 Cb 2.07 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 3ml8 h VAL 188 CO 0.04 0.23 0.23 0.00 0.02 0.00 0.00 177.57 178.08 3ml8 h ALA 189 N 0.81 1.71 0.00 1.67 0.00 -1.59 -3.11 119.26 118.74 3ml8 h ALA 189 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ml8 h ALA 189 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ml8 h ALA 189 CO 0.00 -0.31 -0.92 0.45 0.00 0.00 0.00 179.25 178.47 3ml8 n SER 190 N -3.61 1.04 -4.72 0.00 2.88 -0.87 -4.95 113.62 103.39 3ml8 n SER 190 Ca 0.01 -0.55 -0.40 0.00 -1.33 0.00 0.00 58.87 56.61 3ml8 n SER 190 Cb 0.34 1.19 -0.05 0.00 -0.75 0.00 0.00 64.21 64.95 3ml8 n SER 190 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ml8 s ARG 191 N -2.44 4.44 -0.16 -1.46 1.70 -0.50 -5.00 118.95 115.53 3ml8 s ARG 191 Ca 0.02 0.90 -0.29 0.00 -0.47 0.00 0.00 55.73 55.90 3ml8 s ARG 191 Cb 0.09 -3.43 -0.06 0.00 -0.57 0.00 0.00 34.95 30.98 3ml8 s ARG 191 CO 0.53 0.10 2.15 0.34 -1.08 0.00 0.00 175.30 177.34 3ml8 s ASP 192 N 0.65 5.70 0.62 -2.89 2.15 -1.26 -4.83 116.67 116.82 3ml8 s ASP 192 Ca 0.38 2.06 0.33 0.00 0.43 0.00 0.00 52.55 55.74 3ml8 s ASP 192 Cb -0.18 -2.52 1.85 0.00 -0.30 0.00 0.00 42.92 41.77 3ml8 s ASP 192 CO 0.19 -1.74 2.14 -0.65 -0.17 0.00 0.00 175.17 174.93 3ml8 h PRO 193 N 13.94 0.00 0.41 4.34 0.11 -1.94 -2.07 132.00 146.79 3ml8 h PRO 193 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3ml8 h PRO 193 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ml8 h PRO 193 CO 0.96 0.00 -0.20 -0.22 -0.21 0.00 0.00 178.00 178.33 3ml8 h LYS 194 N 0.00 -0.54 -0.06 1.05 3.64 -1.98 -2.62 116.57 116.05 3ml8 h LYS 194 Ca 0.04 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3ml8 h LYS 194 Cb 0.39 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3ml8 h LYS 194 CO -0.00 -0.36 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.50 3ml8 h LEU 195 N -0.73 0.10 -1.14 5.20 3.38 -1.93 -1.89 115.31 118.30 3ml8 h LEU 195 Ca -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ml8 h LEU 195 Cb 0.43 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ml8 h LEU 195 CO 0.09 0.36 0.00 0.22 0.09 0.00 0.00 178.44 179.21 3ml8 h TYR 196 N 0.10 0.00 0.20 1.13 3.20 -1.45 0.37 116.97 120.53 3ml8 h TYR 196 Ca 0.02 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.56 3ml8 h TYR 196 Cb 0.50 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.79 3ml8 h TYR 196 CO 0.00 0.00 -1.49 0.00 -1.64 0.00 0.00 178.16 175.04 3ml8 h ALA 197 N 2.13 -0.01 -0.14 1.82 0.00 -0.94 -3.35 119.26 118.77 3ml8 h ALA 197 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3ml8 h ALA 197 Cb 0.40 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ml8 h ALA 197 CO 0.00 0.86 0.00 -1.33 0.00 0.00 0.00 179.25 178.78 3ml8 n MET 198 N -3.63 1.45 -3.74 0.00 2.81 -1.12 -4.96 117.12 107.93 3ml8 n MET 198 Ca -0.16 -1.56 -0.21 0.00 -1.81 0.00 0.00 57.70 53.96 3ml8 n MET 198 Cb 1.08 -1.28 -0.01 0.00 -0.71 0.00 0.00 33.22 32.30 3ml8 n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3ml8 n HIS 199 N 0.75 -0.67 -1.24 2.03 -0.00 0.13 -4.32 115.22 111.90 3ml8 n HIS 199 Ca 0.10 0.12 -0.36 0.00 -0.00 0.00 0.00 57.72 57.58 3ml8 n HIS 199 Cb 0.37 -1.41 0.06 0.00 -0.00 0.00 0.00 29.99 29.02 3ml8 n HIS 199 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3ml8 n PRO 200 N -2.98 0.25 -3.52 -1.40 -0.04 -1.26 -4.86 135.00 121.20 3ml8 n PRO 200 Ca -0.10 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 3ml8 n PRO 200 Cb 0.31 -1.72 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 3ml8 n PRO 200 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 3ml8 n TRP 201 N -2.34 3.61 -2.52 0.54 -0.00 -1.26 -5.04 117.44 110.43 3ml8 n TRP 201 Ca 0.09 -3.94 -0.27 0.00 -0.00 0.00 0.00 57.50 53.39 3ml8 n TRP 201 Cb 0.50 -0.90 0.02 0.00 -0.00 0.00 0.00 31.31 30.93 3ml8 n TRP 201 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3ml8 s VAL 202 N -1.94 4.12 -0.09 5.87 1.01 -1.26 -2.14 120.40 125.96 3ml8 s VAL 202 Ca 0.31 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 3ml8 s VAL 202 Cb 0.02 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.84 3ml8 s VAL 202 CO -0.07 -0.59 0.22 0.28 0.00 0.00 0.00 175.10 174.95 3ml8 s THR 203 N -2.87 -0.03 -0.55 3.92 -1.32 -0.38 -4.54 115.64 109.86 3ml8 s THR 203 Ca 0.51 0.11 0.16 0.00 -1.21 0.00 0.00 61.69 61.26 3ml8 s THR 203 Cb -0.10 -0.34 0.80 0.00 -1.51 0.00 0.00 72.50 71.34 3ml8 s THR 203 CO 0.45 0.05 1.72 -1.20 -2.21 0.00 0.00 174.62 173.42 3ml8 n SER 204 N 3.88 5.47 -4.93 8.08 7.64 -1.26 -4.75 113.62 127.75 3ml8 n SER 204 Ca -0.22 -2.77 -0.26 0.00 1.01 0.00 0.00 58.87 56.63 3ml8 n SER 204 Cb 0.54 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 3ml8 n SER 204 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3ml8 s LYS 205 N -2.46 3.53 0.47 1.43 1.02 -1.26 -5.04 119.74 117.43 3ml8 s LYS 205 Ca 0.54 -0.14 -0.24 0.00 0.02 0.00 0.00 55.97 56.15 3ml8 s LYS 205 Cb 0.39 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 35.03 3ml8 s LYS 205 CO 0.19 0.09 1.33 -1.25 -0.92 0.00 0.00 175.35 174.79 3ml8 s PRO 206 N -4.22 3.60 -0.28 -1.68 0.04 -1.26 -4.92 135.00 126.28 3ml8 s PRO 206 Ca 0.42 2.18 -0.29 0.00 0.04 0.00 0.00 61.00 63.36 3ml8 s PRO 206 Cb -0.10 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 3ml8 s PRO 206 CO 0.36 -0.81 1.55 -1.17 0.04 0.00 0.00 177.00 176.98 3ml8 s LEU 207 N -2.95 3.79 0.00 -3.56 1.98 -1.26 -4.96 118.68 111.73 3ml8 s LEU 207 Ca 0.64 1.39 -0.19 0.00 -2.89 0.00 0.00 54.13 53.08 3ml8 s LEU 207 Cb -0.39 -3.53 0.29 0.00 0.66 0.00 0.00 46.19 43.22 3ml8 s LEU 207 CO 0.48 -1.31 0.65 -0.81 -1.89 0.00 0.00 176.35 173.47 3ml8 n PRO 208 N 7.76 -3.85 0.20 0.98 -0.04 -1.26 -4.77 135.00 134.03 3ml8 n PRO 208 Ca 0.18 -1.10 -0.12 0.00 -0.04 0.00 0.00 63.50 62.42 3ml8 n PRO 208 Cb 0.46 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 3ml8 n PRO 208 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3ml8 h GLU 209 N 0.00 -0.54 -0.14 0.54 4.57 -1.90 -3.17 114.58 113.93 3ml8 h GLU 209 Ca -0.30 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3ml8 h GLU 209 Cb 1.00 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3ml8 h GLU 209 CO 0.18 -0.25 0.44 0.10 -1.18 0.00 0.00 179.01 178.30 3ml8 h TYR 210 N -1.01 0.00 -0.01 0.92 -0.00 -1.92 0.45 116.97 115.39 3ml8 h TYR 210 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.67 3ml8 h TYR 210 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 3ml8 h TYR 210 CO 0.02 0.00 -0.35 1.28 -0.00 0.00 0.00 178.16 179.11 3ml8 n LEU 211 N -3.09 1.49 -0.11 0.10 4.77 -1.20 -3.23 117.00 115.74 3ml8 n LEU 211 Ca 0.01 -0.49 -0.23 0.00 -0.03 0.00 0.00 56.01 55.27 3ml8 n LEU 211 Cb 0.53 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3ml8 n LEU 211 CO 0.16 0.28 -0.67 0.79 -1.33 0.00 0.00 177.39 176.62 3ml8 n TRP 212 N -0.35 0.87 0.29 -1.77 7.02 0.15 -3.99 117.44 119.66 3ml8 n TRP 212 Ca 0.11 0.37 0.00 0.00 -1.02 0.00 0.00 57.50 56.96 3ml8 n TRP 212 Cb 0.40 -1.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.21 3ml8 n TRP 212 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 3ml8 n LYS 213 N -4.38 0.15 0.00 -0.99 2.85 -0.81 0.83 118.16 115.81 3ml8 n LYS 213 Ca -0.36 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 56.92 3ml8 n LYS 213 Cb 0.72 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.10 3ml8 n LYS 213 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3ml8 n LYS 214 N -0.50 2.18 -3.59 -1.58 5.02 -1.20 -5.01 118.16 113.47 3ml8 n LYS 214 Ca 0.00 -0.39 -0.38 0.00 -2.02 0.00 0.00 58.31 55.52 3ml8 n LYS 214 Cb 0.00 -0.87 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 3ml8 n LYS 214 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ml8 s ILE 215 N -0.63 5.16 0.00 -0.18 1.01 0.24 -5.04 121.20 121.76 3ml8 s ILE 215 Ca 0.02 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.35 3ml8 s ILE 215 Cb 0.02 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3ml8 s ILE 215 CO 0.06 0.57 0.49 0.00 0.00 0.00 0.00 174.94 176.07 3ml8 n ALA 216 N 1.98 0.00 -3.61 9.38 0.00 -1.26 -4.81 120.51 122.18 3ml8 n ALA 216 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 3ml8 n ALA 216 Cb 0.53 0.12 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 3ml8 n ALA 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ml8 s ASN 217 N -2.49 -1.02 -0.12 0.00 2.20 -1.26 -4.95 114.94 107.30 3ml8 s ASN 217 Ca 0.00 1.43 -0.02 0.00 -0.94 0.00 0.00 52.86 53.34 3ml8 s ASN 217 Cb 0.00 2.06 0.02 0.00 -2.00 0.00 0.00 41.25 41.32 3ml8 s ASN 217 CO 0.00 -0.20 0.04 -3.20 -2.94 0.00 0.00 177.10 170.79 3ml8 n ASN 218 N 5.18 -0.91 -3.69 3.54 2.85 -1.26 -4.85 115.26 116.11 3ml8 n ASN 218 Ca -0.13 0.32 -0.22 0.00 -0.11 0.00 0.00 54.58 54.44 3ml8 n ASN 218 Cb 0.51 -0.90 -0.18 0.00 1.24 0.00 0.00 39.78 40.46 3ml8 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ml8 s ILE 220 N 2.09 3.97 -0.07 0.00 1.01 0.32 -4.34 121.20 124.19 3ml8 s ILE 220 Ca 0.04 -1.34 0.04 0.00 0.00 0.00 0.00 60.65 59.39 3ml8 s ILE 220 Cb -0.13 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.32 3ml8 s ILE 220 CO -0.05 -0.13 -0.20 -0.36 0.00 0.00 0.00 174.94 174.21 3ml8 s PHE 221 N -1.78 2.03 -0.25 3.97 2.99 -1.26 -1.11 117.98 122.58 3ml8 s PHE 221 Ca 0.29 -0.70 -0.01 0.00 0.00 0.00 0.00 56.93 56.51 3ml8 s PHE 221 Cb -0.09 -1.38 0.07 0.00 0.00 0.00 0.00 43.02 41.63 3ml8 s PHE 221 CO 0.20 -0.27 0.04 0.42 -0.00 0.00 0.00 175.22 175.61 3ml8 s ILE 222 N 0.21 0.94 -0.24 0.64 1.01 -1.21 -3.92 121.20 118.64 3ml8 s ILE 222 Ca -0.10 -1.06 -0.29 0.00 0.00 0.00 0.00 60.65 59.20 3ml8 s ILE 222 Cb -0.15 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 3ml8 s ILE 222 CO 0.05 -0.35 1.31 -0.69 0.00 0.00 0.00 174.94 175.25 3ml8 s VAL 223 N 1.64 4.17 0.12 2.92 1.01 0.12 -3.48 120.40 126.90 3ml8 s VAL 223 Ca 0.02 1.37 -0.09 0.00 0.00 0.00 0.00 61.98 63.28 3ml8 s VAL 223 Cb -0.18 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 3ml8 s VAL 223 CO -0.13 -0.32 0.43 -0.63 0.00 0.00 0.00 175.10 174.45 3ml8 s ILE 224 N 4.05 5.07 -0.04 2.22 1.01 0.31 -0.38 121.20 133.44 3ml8 s ILE 224 Ca 0.57 0.39 0.03 0.00 0.00 0.00 0.00 60.65 61.63 3ml8 s ILE 224 Cb -0.19 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3ml8 s ILE 224 CO 0.20 0.17 -0.12 -1.00 0.00 0.00 0.00 174.94 174.19 3ml8 s HIS 225 N -1.53 1.24 0.00 3.97 3.76 0.52 -2.90 115.29 120.35 3ml8 s HIS 225 Ca 0.38 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 3ml8 s HIS 225 Cb -0.13 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.69 3ml8 s HIS 225 CO 0.20 -0.14 0.00 -2.13 -0.85 0.00 0.00 174.74 171.82 3ml8 n ARG 226 N 3.32 0.00 0.00 1.40 3.00 -1.21 -1.39 116.66 121.78 3ml8 n ARG 226 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 3ml8 n ARG 226 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 3ml8 n ARG 226 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3ml8 n SER 227 N 0.00 0.00 0.00 6.15 7.64 -1.26 -4.63 113.62 121.52 3ml8 n SER 227 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3ml8 n SER 227 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3ml8 n SER 227 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3ml8 n THR 228 N 0.00 0.00 -2.07 0.44 -2.24 -1.26 -5.02 114.28 104.14 3ml8 n THR 228 Ca 0.00 -0.24 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 3ml8 n THR 228 Cb 0.00 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 3ml8 n THR 228 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ml8 s THR 229 N -0.26 3.40 0.00 4.28 -4.23 -1.26 -4.96 115.64 112.61 3ml8 s THR 229 Ca 0.00 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 3ml8 s THR 229 Cb 0.00 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.88 3ml8 s THR 229 CO 0.00 -0.89 0.00 -1.20 -0.54 0.00 0.00 174.62 171.99 3ml8 n SER 230 N 12.27 0.00 0.00 3.99 7.64 -1.26 -3.34 113.62 132.92 3ml8 n SER 230 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3ml8 n SER 230 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3ml8 n SER 230 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3ml8 n GLN 231 N 0.00 0.00 -4.06 1.43 -0.06 -1.14 -4.75 117.38 108.80 3ml8 n GLN 231 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 57.00 54.70 3ml8 n GLN 231 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 3ml8 n GLN 231 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3ml8 s THR 232 N -0.15 4.47 0.04 1.69 2.01 -1.26 -0.53 115.64 121.91 3ml8 s THR 232 Ca 0.00 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3ml8 s THR 232 Cb 0.00 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 3ml8 s THR 232 CO 0.00 0.12 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.35 3ml8 s ILE 233 N -1.39 0.48 0.44 1.82 1.01 -1.23 -4.97 121.20 117.35 3ml8 s ILE 233 Ca 0.29 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.73 3ml8 s ILE 233 Cb -0.12 -0.54 -0.08 0.00 0.01 0.00 0.00 42.46 41.72 3ml8 s ILE 233 CO 0.22 -0.35 1.08 -0.54 0.00 0.00 0.00 174.94 175.34 3ml8 s LYS 234 N -1.44 3.97 -0.20 2.79 1.02 -1.26 -3.30 119.74 121.32 3ml8 s LYS 234 Ca -0.10 1.54 -0.14 0.00 0.02 0.00 0.00 55.97 57.29 3ml8 s LYS 234 Cb -0.09 -2.40 0.06 0.00 -0.52 0.00 0.00 37.83 34.88 3ml8 s LYS 234 CO 0.00 -0.32 0.51 0.08 -0.92 0.00 0.00 175.35 174.71 3ml8 s VAL 235 N -1.71 -0.01 0.14 3.17 1.01 -0.26 -4.96 120.40 117.78 3ml8 s VAL 235 Ca 0.62 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 3ml8 s VAL 235 Cb -0.22 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 3ml8 s VAL 235 CO 0.27 0.02 0.75 -0.55 0.00 0.00 0.00 175.10 175.59 3ml8 s SER 236 N 1.01 7.33 0.56 3.32 0.15 -1.26 0.12 113.70 124.93 3ml8 s SER 236 Ca -0.06 1.58 0.19 0.00 0.70 0.00 0.00 55.95 58.36 3ml8 s SER 236 Cb -0.06 -2.48 1.03 0.00 -1.71 0.00 0.00 66.02 62.80 3ml8 s SER 236 CO -0.09 0.19 1.54 -0.65 1.20 0.00 0.00 173.24 175.43 3ml8 h PRO 237 N 4.55 0.00 -0.52 5.44 0.11 -1.94 1.12 132.00 140.77 3ml8 h PRO 237 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ml8 h PRO 237 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ml8 h PRO 237 CO 0.66 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.20 3ml8 n ASP 238 N -2.55 4.74 -4.57 -2.05 10.43 -1.26 -1.50 116.55 119.79 3ml8 n ASP 238 Ca -0.01 -2.69 -0.41 0.00 2.57 0.00 0.00 54.79 54.25 3ml8 n ASP 238 Cb 0.49 -0.58 -0.03 0.00 1.84 0.00 0.00 41.12 42.85 3ml8 n ASP 238 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3ml8 s ASP 239 N -1.11 5.88 0.53 -2.24 1.11 0.39 -4.73 116.67 116.49 3ml8 s ASP 239 Ca 0.48 0.30 -0.18 0.00 0.18 0.00 0.00 52.55 53.33 3ml8 s ASP 239 Cb 0.34 -2.54 -0.12 0.00 1.07 0.00 0.00 42.92 41.67 3ml8 s ASP 239 CO 0.18 -1.90 0.24 1.07 1.18 0.00 0.00 175.17 175.93 3ml8 n THR 240 N 6.95 1.22 0.05 -1.27 5.66 -1.26 -3.12 114.28 122.50 3ml8 n THR 240 Ca 0.14 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.52 3ml8 n THR 240 Cb 0.50 -0.36 -0.08 0.00 -1.55 0.00 0.00 70.33 68.83 3ml8 n THR 240 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3ml8 h PRO 241 N 0.17 -0.07 -0.02 1.09 0.11 -1.76 -3.01 132.00 128.51 3ml8 h PRO 241 Ca -0.43 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.69 3ml8 h PRO 241 Cb 1.42 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.55 3ml8 h PRO 241 CO 0.45 0.12 0.02 0.78 -0.21 0.00 0.00 178.00 179.16 3ml8 h GLY 242 N -0.26 0.00 1.44 -0.55 0.00 -1.86 0.21 103.07 102.04 3ml8 h GLY 242 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 3ml8 h GLY 242 CO 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.46 3ml8 h ALA 243 N 1.98 1.11 0.00 3.60 0.00 -1.89 -0.51 119.26 123.55 3ml8 h ALA 243 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ml8 h ALA 243 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ml8 h ALA 243 CO -0.00 0.56 0.00 -0.89 0.00 0.00 0.00 179.25 178.92 3ml8 n ILE 244 N -4.19 0.41 0.00 0.00 5.41 0.72 0.11 119.36 121.83 3ml8 n ILE 244 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3ml8 n ILE 244 Cb 0.34 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 3ml8 n ILE 244 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3ml8 n LEU 245 N 0.70 0.00 0.00 1.39 4.77 -0.33 -4.71 117.00 118.82 3ml8 n LEU 245 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3ml8 n LEU 245 Cb 0.22 0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 3ml8 n LEU 245 CO 0.00 -0.24 0.20 0.00 -1.33 0.00 0.00 177.39 176.01 3ml8 n GLN 246 N -1.99 0.12 -0.60 3.23 1.13 -0.47 0.13 117.38 118.92 3ml8 n GLN 246 Ca 0.00 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.12 3ml8 n GLN 246 Cb 0.00 -1.24 0.12 0.00 0.11 0.00 0.00 30.24 29.24 3ml8 n GLN 246 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3ml8 n SER 247 N -0.74 1.52 0.00 1.08 2.88 0.12 -4.62 113.62 113.86 3ml8 n SER 247 Ca 0.01 -3.05 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 3ml8 n SER 247 Cb 0.01 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 3ml8 n SER 247 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3ml8 n PHE 248 N -0.75 0.00 -1.14 0.66 7.35 0.34 -4.74 117.46 119.18 3ml8 n PHE 248 Ca 0.13 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.89 3ml8 n PHE 248 Cb 0.76 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.79 3ml8 n PHE 248 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3ml8 n PHE 249 N 0.00 0.44 0.00 -5.13 0.99 -0.44 -5.05 117.46 108.27 3ml8 n PHE 249 Ca 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 57.45 56.37 3ml8 n PHE 249 Cb 0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 39.48 38.22 3ml8 n PHE 249 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3ml8 n THR 250 N -1.06 0.00 0.00 4.37 -1.04 -1.26 -5.06 114.28 110.22 3ml8 n THR 250 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3ml8 n THR 250 Cb 0.78 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 3ml8 n THR 250 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3ml8 n ASP 269 N -1.22 0.00 -4.11 8.00 10.43 -1.26 -4.76 116.55 123.64 3ml8 n ASP 269 Ca 0.00 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.21 3ml8 n ASP 269 Cb 0.00 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 42.84 3ml8 n ASP 269 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3ml8 s PHE 270 N -0.32 0.90 0.01 1.24 0.08 -1.26 -4.53 117.98 114.10 3ml8 s PHE 270 Ca 0.00 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.62 3ml8 s PHE 270 Cb 0.00 -0.52 -0.02 0.00 -0.57 0.00 0.00 43.02 41.91 3ml8 s PHE 270 CO 0.00 -0.02 -0.15 0.54 -0.10 0.00 0.00 175.22 175.49 3ml8 s VAL 271 N -1.33 1.16 -0.05 -0.44 0.11 -0.47 -4.96 120.40 114.41 3ml8 s VAL 271 Ca -0.07 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 3ml8 s VAL 271 Cb -0.10 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 3ml8 s VAL 271 CO 0.01 0.18 1.20 -0.76 -3.33 0.00 0.00 175.10 172.41 3ml8 s LEU 272 N -0.73 4.28 0.49 2.54 1.43 -1.26 -2.79 118.68 122.64 3ml8 s LEU 272 Ca 0.04 1.82 0.08 0.00 -1.03 0.00 0.00 54.13 55.04 3ml8 s LEU 272 Cb -0.07 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.63 3ml8 s LEU 272 CO 0.00 -0.59 0.63 -0.60 0.23 0.00 0.00 176.35 176.02 3ml8 s ARG 273 N 2.22 2.55 0.16 1.70 3.52 -1.04 -1.58 118.95 126.48 3ml8 s ARG 273 Ca 0.56 -1.49 0.02 0.00 -0.13 0.00 0.00 55.73 54.70 3ml8 s ARG 273 Cb -0.25 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 3ml8 s ARG 273 CO 0.22 -0.52 0.30 0.08 -0.81 0.00 0.00 175.30 174.57 3ml8 s VAL 274 N -2.52 5.31 -0.23 7.11 1.01 -0.23 -2.68 120.40 128.17 3ml8 s VAL 274 Ca 0.56 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 3ml8 s VAL 274 Cb -0.07 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.57 3ml8 s VAL 274 CO 0.34 -0.11 1.01 0.00 0.00 0.00 0.00 175.10 176.34 3ml8 n GLY 276 N 3.39 3.01 3.77 0.00 0.00 -1.25 -4.51 105.19 109.60 3ml8 n GLY 276 Ca 0.11 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3ml8 n GLY 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ml8 s ARG 277 N 0.00 2.76 -1.34 1.61 0.52 -1.22 -4.63 118.95 116.65 3ml8 s ARG 277 Ca 0.00 -1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 54.09 3ml8 s ARG 277 Cb 0.00 -2.51 0.12 0.00 0.52 0.00 0.00 34.95 33.07 3ml8 s ARG 277 CO 0.00 0.43 2.22 -3.47 0.02 0.00 0.00 175.30 174.51 3ml8 n ASP 278 N -0.69 6.66 -3.57 0.23 -0.08 -0.07 -4.43 116.55 114.59 3ml8 n ASP 278 Ca -0.08 -3.06 -0.25 0.00 -1.51 0.00 0.00 54.79 49.89 3ml8 n ASP 278 Cb 0.56 -1.44 -0.16 0.00 2.34 0.00 0.00 41.12 42.42 3ml8 n ASP 278 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3ml8 s GLU 279 N 0.03 0.11 0.31 -0.67 2.56 -1.26 -4.77 118.70 115.02 3ml8 s GLU 279 Ca 0.49 -0.12 -0.04 0.00 0.00 0.00 0.00 54.97 55.30 3ml8 s GLU 279 Cb 0.15 -1.58 -0.05 0.00 2.00 0.00 0.00 34.13 34.65 3ml8 s GLU 279 CO -0.05 -0.74 0.57 0.71 -0.56 0.00 0.00 175.26 175.19 3ml8 s TYR 280 N 2.17 3.49 -0.83 5.30 1.51 -1.26 -1.07 117.35 126.66 3ml8 s TYR 280 Ca 0.04 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.72 3ml8 s TYR 280 Cb -0.16 -2.08 0.32 0.00 -0.11 0.00 0.00 41.96 39.93 3ml8 s TYR 280 CO -0.15 0.13 1.36 1.28 -1.11 0.00 0.00 175.55 177.06 3ml8 n LEU 281 N -1.19 5.85 0.00 -1.29 4.32 -0.61 -4.56 117.00 119.53 3ml8 n LEU 281 Ca -0.02 -5.49 -0.17 0.00 -0.02 0.00 0.00 56.01 50.31 3ml8 n LEU 281 Cb 0.54 -0.91 0.09 0.00 -1.62 0.00 0.00 43.42 41.53 3ml8 n LEU 281 CO 0.48 2.13 0.42 0.52 -1.22 0.00 0.00 177.39 179.72 3ml8 n VAL 282 N 0.10 0.00 -0.16 4.08 0.31 -1.26 -4.71 118.33 116.68 3ml8 n VAL 282 Ca 0.37 -1.10 0.02 0.00 -0.01 0.00 0.00 64.34 63.62 3ml8 n VAL 282 Cb 0.33 -1.07 -0.01 0.00 -0.91 0.00 0.00 33.84 32.18 3ml8 n VAL 282 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ml8 n GLY 283 N -0.54 -2.48 2.84 2.92 0.00 -1.26 -4.63 105.19 102.04 3ml8 n GLY 283 Ca 0.12 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 3ml8 n GLY 283 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ml8 n GLU 284 N -2.41 2.95 -4.01 1.61 -0.58 -1.26 -4.34 120.64 112.59 3ml8 n GLU 284 Ca -0.01 -2.75 -0.12 0.00 -0.42 0.00 0.00 57.16 53.86 3ml8 n GLU 284 Cb 0.08 -3.29 -0.12 0.00 -0.57 0.00 0.00 31.44 27.54 3ml8 n GLU 284 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3ml8 s THR 285 N 3.12 0.27 0.34 2.62 2.01 -1.26 -5.08 115.64 117.65 3ml8 s THR 285 Ca 0.47 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.56 3ml8 s THR 285 Cb 0.12 -0.32 -0.09 0.00 0.01 0.00 0.00 72.50 72.22 3ml8 s THR 285 CO -0.06 -0.25 1.17 -2.16 -0.69 0.00 0.00 174.62 172.63 3ml8 s PRO 286 N -0.94 4.34 0.24 4.92 0.04 -1.26 -3.88 135.00 138.46 3ml8 s PRO 286 Ca -0.08 1.89 -0.05 0.00 0.04 0.00 0.00 61.00 62.81 3ml8 s PRO 286 Cb -0.06 -2.94 0.43 0.00 0.04 0.00 0.00 34.50 31.96 3ml8 s PRO 286 CO -0.00 -0.09 1.73 -0.84 0.04 0.00 0.00 177.00 177.84 3ml8 h ILE 287 N 2.76 0.67 -0.71 0.56 3.07 -1.64 0.46 117.51 122.67 3ml8 h ILE 287 Ca -0.48 -0.15 0.21 0.00 1.55 0.00 0.00 64.86 65.99 3ml8 h ILE 287 Cb 1.22 0.20 -0.03 0.00 -0.27 0.00 0.00 36.82 37.94 3ml8 h ILE 287 CO 0.65 0.08 0.76 1.17 -1.05 0.00 0.00 178.15 179.76 3ml8 n LYS 288 N -5.01 0.01 -0.14 0.16 4.81 -0.56 -0.34 118.16 117.08 3ml8 n LYS 288 Ca 0.13 0.63 0.05 0.00 -0.87 0.00 0.00 58.31 58.26 3ml8 n LYS 288 Cb 0.39 -1.55 0.13 0.00 0.02 0.00 0.00 35.03 34.03 3ml8 n LYS 288 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ml8 n ASN 289 N -2.57 2.73 -4.78 3.14 4.13 0.16 -4.76 115.26 113.32 3ml8 n ASN 289 Ca 0.16 -1.91 -0.38 0.00 1.68 0.00 0.00 54.58 54.13 3ml8 n ASN 289 Cb 0.98 -0.19 -0.06 0.00 -1.54 0.00 0.00 39.78 38.97 3ml8 n ASN 289 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ml8 s PHE 290 N -0.98 3.63 0.20 3.10 0.40 0.54 -1.25 117.98 123.62 3ml8 s PHE 290 Ca 0.21 0.97 -0.09 0.00 -0.60 0.00 0.00 56.93 57.42 3ml8 s PHE 290 Cb 0.11 -2.44 0.14 0.00 0.51 0.00 0.00 43.02 41.34 3ml8 s PHE 290 CO 0.15 0.40 1.78 1.96 0.70 0.00 0.00 175.22 180.21 3ml8 h GLN 291 N 5.69 1.10 0.25 0.44 1.08 -1.76 -1.23 115.11 120.69 3ml8 h GLN 291 Ca -0.46 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 56.55 3ml8 h GLN 291 Cb 1.20 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.43 3ml8 h GLN 291 CO 0.69 0.88 -0.21 2.35 -0.95 0.00 0.00 178.83 181.59 3ml8 h TRP 292 N 1.06 -0.55 -0.45 2.96 2.91 -1.94 0.29 115.95 120.23 3ml8 h TRP 292 Ca 0.25 0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.34 3ml8 h TRP 292 Cb 0.18 0.21 -0.09 0.00 -0.51 0.00 0.00 29.16 28.94 3ml8 h TRP 292 CO 0.01 -0.32 -0.44 0.28 -1.03 0.00 0.00 178.44 176.95 3ml8 h VAL 293 N -0.48 0.10 0.00 2.65 2.07 -1.83 0.64 116.25 119.40 3ml8 h VAL 293 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3ml8 h VAL 293 Cb 0.43 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3ml8 h VAL 293 CO -0.02 0.00 0.00 0.03 0.02 0.00 0.00 177.57 177.60 3ml8 h ARG 294 N -0.31 0.00 0.12 1.57 3.08 -0.62 -0.16 114.38 118.07 3ml8 h ARG 294 Ca 0.14 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.87 3ml8 h ARG 294 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3ml8 h ARG 294 CO -0.60 0.00 -1.62 1.25 -1.07 0.00 0.00 179.97 177.92 3ml8 h HIS 295 N 0.00 0.48 0.51 3.04 2.76 0.38 -2.93 115.15 119.39 3ml8 h HIS 295 Ca 0.00 -0.35 -0.02 0.00 -2.20 0.00 0.00 60.37 57.80 3ml8 h HIS 295 Cb 0.01 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3ml8 h HIS 295 CO 0.00 1.45 -0.24 0.00 -1.30 0.00 0.00 177.93 177.83 3ml8 h LEU 297 N -0.97 -0.39 0.38 0.00 3.38 -1.41 1.25 115.31 117.55 3ml8 h LEU 297 Ca -0.07 0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3ml8 h LEU 297 Cb 0.61 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3ml8 h LEU 297 CO 0.11 -0.30 -0.20 0.50 0.09 0.00 0.00 178.44 178.65 3ml8 h LYS 298 N 0.05 -0.52 -0.54 1.13 3.64 -1.38 -3.03 116.57 115.93 3ml8 h LYS 298 Ca 0.56 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 3ml8 h LYS 298 Cb 1.13 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3ml8 h LYS 298 CO -0.84 -0.35 0.00 0.09 -2.27 0.00 0.00 179.45 176.09 3ml8 n ASN 299 N -5.33 3.63 -3.03 4.20 3.02 -0.85 -4.99 115.26 111.92 3ml8 n ASN 299 Ca -0.10 -1.99 -0.05 0.00 -0.03 0.00 0.00 54.58 52.40 3ml8 n ASN 299 Cb 0.24 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 39.08 3ml8 n ASN 299 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ml8 n GLY 300 N 1.57 -1.13 3.67 7.41 0.00 0.42 -5.06 105.19 112.08 3ml8 n GLY 300 Ca 0.22 0.47 -0.30 0.00 0.00 0.00 0.00 46.02 46.41 3ml8 n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ml8 s GLU 301 N -3.48 2.06 0.29 1.61 2.02 -0.88 -5.01 118.70 115.31 3ml8 s GLU 301 Ca 0.16 -2.25 -0.08 0.00 0.02 0.00 0.00 54.97 52.82 3ml8 s GLU 301 Cb -0.02 -1.44 -0.06 0.00 0.10 0.00 0.00 34.13 32.71 3ml8 s GLU 301 CO 0.70 -0.26 0.59 -1.83 0.02 0.00 0.00 175.26 174.49 3ml8 s GLU 302 N -3.81 3.72 -0.53 1.61 -1.05 -1.26 -4.54 118.70 112.85 3ml8 s GLU 302 Ca 0.19 0.19 -0.18 0.00 -0.15 0.00 0.00 54.97 55.02 3ml8 s GLU 302 Cb 0.05 -2.60 0.08 0.00 -0.44 0.00 0.00 34.13 31.23 3ml8 s GLU 302 CO 0.10 0.20 0.59 0.42 0.95 0.00 0.00 175.26 177.52 3ml8 s ILE 303 N -2.05 4.97 -0.26 1.83 1.01 -1.25 -4.99 121.20 120.46 3ml8 s ILE 303 Ca 0.47 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 3ml8 s ILE 303 Cb -0.11 -4.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3ml8 s ILE 303 CO 0.27 -0.87 0.09 -1.00 0.00 0.00 0.00 174.94 173.43 3ml8 s HIS 304 N 2.32 3.11 -0.00 3.97 3.76 -1.26 0.12 115.29 127.30 3ml8 s HIS 304 Ca 0.10 -0.49 0.06 0.00 -0.15 0.00 0.00 55.06 54.58 3ml8 s HIS 304 Cb -0.23 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.17 3ml8 s HIS 304 CO 0.08 -0.39 -0.18 0.08 -0.85 0.00 0.00 174.74 173.48 3ml8 s VAL 305 N 1.61 2.74 -0.39 -0.90 1.01 0.49 -0.81 120.40 124.15 3ml8 s VAL 305 Ca 0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 3ml8 s VAL 305 Cb -0.16 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3ml8 s VAL 305 CO 0.04 0.48 0.25 0.54 0.00 0.00 0.00 175.10 176.41 3ml8 s VAL 306 N -0.79 4.91 -0.63 2.92 0.11 -1.09 0.19 120.40 126.02 3ml8 s VAL 306 Ca 0.13 -0.73 -0.26 0.00 -2.93 0.00 0.00 61.98 58.19 3ml8 s VAL 306 Cb -0.10 -3.72 -0.06 0.00 -1.53 0.00 0.00 36.38 30.97 3ml8 s VAL 306 CO 0.02 -0.25 2.13 -0.22 -3.33 0.00 0.00 175.10 173.46 3ml8 s LEU 307 N 1.62 3.26 0.00 2.54 0.20 -0.48 -2.49 118.68 123.33 3ml8 s LEU 307 Ca 0.04 0.43 0.00 0.00 0.69 0.00 0.00 54.13 55.29 3ml8 s LEU 307 Cb -0.19 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.05 3ml8 s LEU 307 CO 0.08 -2.79 0.00 -0.90 -0.29 0.00 0.00 176.35 172.46 3ml8 n ASP 308 N 14.76 0.24 -4.73 3.68 5.75 -1.12 -4.84 116.55 130.28 3ml8 n ASP 308 Ca 0.32 -0.66 -0.36 0.00 -0.01 0.00 0.00 54.79 54.08 3ml8 n ASP 308 Cb 0.51 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.53 3ml8 n ASP 308 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3ml8 s THR 309 N -1.49 5.30 0.35 2.12 2.01 -1.26 -1.37 115.64 121.29 3ml8 s THR 309 Ca 0.00 0.57 -0.27 0.00 0.31 0.00 0.00 61.69 62.29 3ml8 s THR 309 Cb 0.00 -3.64 -0.12 0.00 0.01 0.00 0.00 72.50 68.75 3ml8 s THR 309 CO 0.00 0.39 1.23 -2.65 -0.69 0.00 0.00 174.62 172.90 3ml8 n PRO 310 N 3.52 1.94 -0.92 4.92 -0.02 -1.26 -4.91 135.00 138.26 3ml8 n PRO 310 Ca -0.12 0.68 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 3ml8 n PRO 310 Cb 0.52 -2.24 0.18 0.00 -0.02 0.00 0.00 33.50 31.93 3ml8 n PRO 310 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ml8 s PRO 311 N -1.88 0.52 -0.37 0.52 0.04 -1.26 -4.99 135.00 127.58 3ml8 s PRO 311 Ca 0.57 0.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 3ml8 s PRO 311 Cb -0.58 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.28 3ml8 s PRO 311 CO 0.61 -2.78 0.20 0.34 0.04 0.00 0.00 177.00 175.41 3ml8 s ASP 312 N -3.03 5.66 0.48 6.66 2.15 -1.26 -4.93 116.67 122.39 3ml8 s ASP 312 Ca 0.66 -1.07 0.27 0.00 0.43 0.00 0.00 52.55 52.84 3ml8 s ASP 312 Cb -0.21 -2.00 1.32 0.00 -0.30 0.00 0.00 42.92 41.73 3ml8 s ASP 312 CO 0.59 -0.39 1.82 -0.65 -0.17 0.00 0.00 175.17 176.37 3ml8 h PRO 313 N 8.40 0.18 -1.56 4.34 0.11 -1.94 0.47 132.00 142.00 3ml8 h PRO 313 Ca -0.25 -0.01 0.50 0.00 0.11 0.00 0.00 66.00 66.35 3ml8 h PRO 313 Cb 1.10 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.05 3ml8 h PRO 313 CO 0.66 0.12 1.05 0.00 -0.21 0.00 0.00 178.00 179.63 3ml8 h ALA 314 N 1.54 3.16 0.00 -0.75 0.00 -1.94 0.48 119.26 121.74 3ml8 h ALA 314 Ca 0.53 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3ml8 h ALA 314 Cb 1.72 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.72 3ml8 h ALA 314 CO -0.13 -1.80 -0.21 -0.07 0.00 0.00 0.00 179.25 177.04 3ml8 h LEU 315 N 0.01 0.00 -0.10 0.00 3.38 -0.47 -3.07 115.31 115.06 3ml8 h LEU 315 Ca 0.89 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.81 3ml8 h LEU 315 Cb 3.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.85 3ml8 h LEU 315 CO -0.32 0.02 -0.47 0.47 0.09 0.00 0.00 178.44 178.24 3ml8 n ASP 316 N -2.43 0.62 -4.37 -0.43 8.00 0.17 -2.20 116.55 115.91 3ml8 n ASP 316 Ca 0.04 -0.40 -0.44 0.00 0.71 0.00 0.00 54.79 54.70 3ml8 n ASP 316 Cb 0.46 0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.81 3ml8 n ASP 316 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3ml8 n GLU 317 N -1.33 0.18 -3.99 -1.24 2.13 -1.16 -4.21 120.64 111.02 3ml8 n GLU 317 Ca 0.07 0.07 -0.32 0.00 0.66 0.00 0.00 57.16 57.64 3ml8 n GLU 317 Cb 0.34 -1.15 -0.05 0.00 0.27 0.00 0.00 31.44 30.85 3ml8 n GLU 317 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3ml8 s VAL 318 N -1.43 5.02 1.00 6.31 1.01 -1.26 -3.63 120.40 127.42 3ml8 s VAL 318 Ca 0.61 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 3ml8 s VAL 318 Cb -0.71 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 32.35 3ml8 s VAL 318 CO 0.60 0.20 0.46 -1.14 0.00 0.00 0.00 175.10 175.22 3ml8 n ARG 319 N 0.59 -0.73 -3.17 2.72 0.63 -1.26 -4.94 116.66 110.50 3ml8 n ARG 319 Ca -0.08 -0.18 -0.39 0.00 -0.92 0.00 0.00 57.85 56.28 3ml8 n ARG 319 Cb 0.52 -1.92 -0.05 0.00 0.45 0.00 0.00 32.46 31.46 3ml8 n ARG 319 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3ml8 s LYS 320 N -3.78 4.39 0.34 -0.14 3.01 -1.26 -5.07 119.74 117.23 3ml8 s LYS 320 Ca 0.59 0.69 0.07 0.00 -1.01 0.00 0.00 55.97 56.31 3ml8 s LYS 320 Cb -0.20 -3.44 -0.02 0.00 -1.01 0.00 0.00 37.83 33.17 3ml8 s LYS 320 CO 0.66 0.11 0.37 -1.21 0.51 0.00 0.00 175.35 175.79 3ml8 s GLU 321 N 0.69 2.85 0.00 1.68 0.41 -1.26 -5.06 118.70 118.01 3ml8 s GLU 321 Ca 0.32 -1.21 0.00 0.00 -0.41 0.00 0.00 54.97 53.67 3ml8 s GLU 321 Cb -0.17 -2.60 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 3ml8 s GLU 321 CO 0.15 0.05 0.00 0.39 -0.49 0.00 0.00 175.26 175.35 3ml8 n GLU 322 N -1.50 0.00 0.00 1.61 4.71 -1.26 -5.25 120.64 118.95 3ml8 n GLU 322 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3ml8 n GLU 322 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.02 3ml8 n GLU 322 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3ml8 n THR 351 N 0.00 0.00 -3.58 2.62 -1.04 -1.26 -5.28 114.28 105.74 3ml8 n THR 351 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 3ml8 n THR 351 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 3ml8 n THR 351 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ml8 s VAL 352 N -1.30 5.19 0.67 12.58 1.01 0.06 -5.01 120.40 133.60 3ml8 s VAL 352 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 3ml8 s VAL 352 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3ml8 s VAL 352 CO 0.00 0.15 1.26 -0.94 0.00 0.00 0.00 175.10 175.56 3ml8 s SER 353 N 1.73 4.50 0.38 3.32 1.04 -1.26 -3.95 113.70 119.46 3ml8 s SER 353 Ca 0.06 2.51 0.19 0.00 0.48 0.00 0.00 55.95 59.20 3ml8 s SER 353 Cb -0.17 -2.61 0.72 0.00 0.10 0.00 0.00 66.02 64.06 3ml8 s SER 353 CO 0.10 -2.07 1.75 0.25 0.98 0.00 0.00 173.24 174.25 3ml8 h LEU 354 N 0.28 0.00 -1.46 2.42 6.46 -1.89 -2.60 115.31 118.51 3ml8 h LEU 354 Ca -0.50 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 3ml8 h LEU 354 Cb 1.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 3ml8 h LEU 354 CO 0.52 0.35 0.00 0.79 -0.62 0.00 0.00 178.44 179.48 3ml8 n TRP 355 N -3.54 0.38 -0.02 1.25 8.01 -1.26 -2.35 117.44 119.92 3ml8 n TRP 355 Ca -0.00 -0.13 0.09 0.00 -1.31 0.00 0.00 57.50 56.14 3ml8 n TRP 355 Cb 0.49 -0.18 -0.15 0.00 -2.01 0.00 0.00 31.31 29.46 3ml8 n TRP 355 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3ml8 n ASP 356 N 0.11 0.44 -4.65 -0.99 8.00 -0.98 -5.01 116.55 113.47 3ml8 n ASP 356 Ca 0.05 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.20 3ml8 n ASP 356 Cb 0.42 1.84 -0.10 0.00 -0.02 0.00 0.00 41.12 43.27 3ml8 n ASP 356 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ml8 n ASP 358 N 3.27 1.06 -4.74 0.00 9.92 -1.26 -2.87 116.55 121.94 3ml8 n ASP 358 Ca -0.17 -1.08 -0.41 0.00 -0.53 0.00 0.00 54.79 52.60 3ml8 n ASP 358 Cb 0.53 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.96 3ml8 n ASP 358 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3ml8 s ARG 359 N -0.08 4.70 -0.24 -1.24 3.52 -1.26 -4.70 118.95 119.65 3ml8 s ARG 359 Ca 0.00 1.54 -0.40 0.00 -0.13 0.00 0.00 55.73 56.74 3ml8 s ARG 359 Cb 0.00 -3.33 -0.16 0.00 -1.56 0.00 0.00 34.95 29.90 3ml8 s ARG 359 CO 0.00 0.23 1.69 1.63 -0.81 0.00 0.00 175.30 178.05 3ml8 n LYS 360 N 2.40 1.14 -1.72 5.12 5.02 -1.26 -2.65 118.16 126.22 3ml8 n LYS 360 Ca 0.02 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 3ml8 n LYS 360 Cb 0.48 -2.09 -0.01 0.00 -0.02 0.00 0.00 35.03 33.39 3ml8 n LYS 360 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ml8 n PHE 361 N 5.02 2.46 -3.98 2.13 7.35 0.14 -4.59 117.46 125.98 3ml8 n PHE 361 Ca 0.26 0.52 -0.09 0.00 -0.76 0.00 0.00 57.45 57.37 3ml8 n PHE 361 Cb 0.13 -2.45 -0.11 0.00 0.35 0.00 0.00 39.48 37.41 3ml8 n PHE 361 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 3ml8 s ARG 362 N -1.84 0.32 -0.03 -4.13 1.70 -1.26 -1.03 118.95 112.69 3ml8 s ARG 362 Ca 0.56 -0.61 0.01 0.00 -0.47 0.00 0.00 55.73 55.22 3ml8 s ARG 362 Cb -0.55 0.12 0.02 0.00 -0.57 0.00 0.00 34.95 33.97 3ml8 s ARG 362 CO 0.62 -0.05 -0.03 0.54 -1.08 0.00 0.00 175.30 175.30 3ml8 s VAL 363 N -1.48 0.36 -0.05 4.99 0.11 -1.01 -4.22 120.40 119.10 3ml8 s VAL 363 Ca -0.16 -0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 58.60 3ml8 s VAL 363 Cb -0.10 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 3ml8 s VAL 363 CO -0.01 0.17 0.76 -0.75 -3.33 0.00 0.00 175.10 171.94 3ml8 s LYS 364 N 0.79 4.47 0.15 1.54 2.20 0.23 -2.03 119.74 127.09 3ml8 s LYS 364 Ca -0.09 1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 56.26 3ml8 s LYS 364 Cb -0.12 -3.44 -0.08 0.00 -1.51 0.00 0.00 37.83 32.68 3ml8 s LYS 364 CO -0.01 0.06 0.80 0.42 -0.36 0.00 0.00 175.35 176.26 3ml8 s ILE 365 N 0.79 4.41 -0.16 5.43 -1.09 -0.85 0.57 121.20 130.30 3ml8 s ILE 365 Ca 0.40 1.75 0.05 0.00 -2.23 0.00 0.00 60.65 60.63 3ml8 s ILE 365 Cb -0.19 -4.16 -0.23 0.00 -1.58 0.00 0.00 42.46 36.30 3ml8 s ILE 365 CO 0.20 0.48 0.22 0.54 -1.23 0.00 0.00 174.94 175.15 3ml8 n ARG 366 N 1.86 0.69 0.00 2.79 5.12 0.32 -2.65 116.66 124.78 3ml8 n ARG 366 Ca -0.04 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 3ml8 n ARG 366 Cb 0.49 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 3ml8 n ARG 366 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ml8 n GLY 367 N 1.91 1.62 3.77 -0.13 0.00 -1.06 -2.02 105.19 109.28 3ml8 n GLY 367 Ca -0.32 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.29 3ml8 n GLY 367 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ml8 s ILE 368 N -1.36 1.55 -0.29 -0.61 -4.36 0.16 -0.58 121.20 115.70 3ml8 s ILE 368 Ca 0.00 -1.85 -0.14 0.00 -0.26 0.00 0.00 60.65 58.40 3ml8 s ILE 368 Cb 0.00 -2.40 0.12 0.00 1.25 0.00 0.00 42.46 41.43 3ml8 s ILE 368 CO 0.00 0.00 0.77 1.51 0.24 0.00 0.00 174.94 177.46 3ml8 s ASP 369 N -3.94 -0.87 -0.21 4.36 -4.77 -1.02 -1.39 116.67 108.83 3ml8 s ASP 369 Ca 0.21 1.31 0.02 0.00 -3.30 0.00 0.00 52.55 50.78 3ml8 s ASP 369 Cb 0.02 1.63 0.04 0.00 -1.09 0.00 0.00 42.92 43.52 3ml8 s ASP 369 CO 0.12 -0.20 -0.15 -0.51 0.70 0.00 0.00 175.17 175.13 3ml8 s ILE 370 N 2.01 2.03 0.00 2.11 -1.16 -0.95 -2.94 121.20 122.30 3ml8 s ILE 370 Ca -0.08 -1.21 0.00 0.00 -0.51 0.00 0.00 60.65 58.86 3ml8 s ILE 370 Cb -0.07 -1.99 0.00 0.00 0.61 0.00 0.00 42.46 41.01 3ml8 s ILE 370 CO -0.18 0.27 1.20 -2.65 -2.81 0.00 0.00 174.94 170.76 3ml8 n PRO 371 N 4.56 0.70 0.00 3.50 -0.02 -1.26 -4.56 135.00 137.92 3ml8 n PRO 371 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3ml8 n PRO 371 Cb 0.46 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 3ml8 n PRO 371 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3ml8 n VAL 372 N 1.37 0.00 -1.28 -1.45 3.14 -1.26 -5.00 118.33 113.85 3ml8 n VAL 372 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3ml8 n VAL 372 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 3ml8 n VAL 372 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3ml8 n LEU 373 N 0.00 0.00 0.00 6.55 0.00 -1.26 -5.09 117.00 117.20 3ml8 n LEU 373 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3ml8 n LEU 373 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3ml8 n LEU 373 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 177.39 177.57 3ml8 n LEU 379 N 0.00 0.00 -4.93 -1.96 7.99 -1.26 -5.23 117.00 111.61 3ml8 n LEU 379 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.75 3ml8 n LEU 379 Cb 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 3ml8 n LEU 379 CO 0.00 0.00 0.38 0.28 -1.51 0.00 0.00 177.39 176.54 3ml8 s THR 380 N -0.66 4.26 -0.28 -5.08 -1.32 -1.25 0.18 115.64 111.49 3ml8 s THR 380 Ca 0.00 -0.19 -0.09 0.00 -1.21 0.00 0.00 61.69 60.20 3ml8 s THR 380 Cb 0.00 -3.61 0.12 0.00 -1.51 0.00 0.00 72.50 67.50 3ml8 s THR 380 CO 0.00 -0.52 0.60 0.54 -2.21 0.00 0.00 174.62 173.03 3ml8 s VAL 381 N -2.69 -0.93 0.25 5.08 0.11 -0.70 -4.04 120.40 117.49 3ml8 s VAL 381 Ca 0.49 0.04 0.11 0.00 -2.93 0.00 0.00 61.98 59.68 3ml8 s VAL 381 Cb -0.10 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 3ml8 s VAL 381 CO 0.41 0.01 -0.15 0.72 -3.33 0.00 0.00 175.10 172.76 3ml8 s PHE 382 N 2.84 2.41 -0.16 1.54 -0.71 -0.96 -3.52 117.98 119.42 3ml8 s PHE 382 Ca -0.05 -0.30 -0.09 0.00 -1.04 0.00 0.00 56.93 55.44 3ml8 s PHE 382 Cb -0.12 -1.09 -0.05 0.00 -1.21 0.00 0.00 43.02 40.55 3ml8 s PHE 382 CO -0.18 0.64 0.16 0.08 -1.34 0.00 0.00 175.22 174.58 3ml8 s VAL 383 N -2.25 5.42 -0.15 -2.49 1.01 -1.26 -2.04 120.40 118.64 3ml8 s VAL 383 Ca 0.28 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 3ml8 s VAL 383 Cb -0.06 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3ml8 s VAL 383 CO 0.15 0.50 -0.10 -0.70 0.00 0.00 0.00 175.10 174.95 3ml8 s GLU 384 N -0.15 3.43 -0.62 2.72 2.12 0.12 -2.35 118.70 123.98 3ml8 s GLU 384 Ca 0.12 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.84 3ml8 s GLU 384 Cb -0.12 -2.74 0.16 0.00 0.26 0.00 0.00 34.13 31.70 3ml8 s GLU 384 CO 0.01 0.15 0.42 0.00 -0.54 0.00 0.00 175.26 175.31 3ml8 s ALA 385 N 0.53 3.25 0.28 6.30 0.00 -0.90 0.10 121.76 131.32 3ml8 s ALA 385 Ca -0.07 -3.46 -0.16 0.00 0.00 0.00 0.00 51.96 48.27 3ml8 s ALA 385 Cb -0.15 -2.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.82 3ml8 s ALA 385 CO 0.04 -2.07 0.71 -0.80 0.00 0.00 0.00 175.76 173.64 3ml8 s ASN 386 N -0.94 6.83 -0.25 0.00 0.01 -0.58 -3.28 114.94 116.73 3ml8 s ASN 386 Ca 0.24 1.27 -0.04 0.00 -0.71 0.00 0.00 52.86 53.62 3ml8 s ASN 386 Cb -0.07 -2.37 0.00 0.00 0.41 0.00 0.00 41.25 39.22 3ml8 s ASN 386 CO -0.14 -0.12 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.70 3ml8 s ILE 387 N -1.83 3.50 0.26 0.60 1.01 -0.91 -0.27 121.20 123.56 3ml8 s ILE 387 Ca 0.50 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.61 3ml8 s ILE 387 Cb -0.12 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3ml8 s ILE 387 CO 0.19 0.27 -0.07 -1.10 0.00 0.00 0.00 174.94 174.23 3ml8 s GLN 388 N 1.46 2.10 -0.13 2.79 -0.21 -0.08 0.49 119.66 126.08 3ml8 s GLN 388 Ca 0.04 -1.51 -0.06 0.00 0.02 0.00 0.00 55.36 53.85 3ml8 s GLN 388 Cb -0.16 -2.05 0.06 0.00 1.00 0.00 0.00 33.01 31.86 3ml8 s GLN 388 CO -0.01 0.36 0.28 -1.58 -2.12 0.00 0.00 175.29 172.22 3ml8 s HIS 389 N -2.34 -0.43 -1.74 0.91 2.46 0.40 -1.20 115.29 113.34 3ml8 s HIS 389 Ca 0.31 0.96 -0.18 0.00 0.47 0.00 0.00 55.06 56.62 3ml8 s HIS 389 Cb -0.06 0.05 0.17 0.00 -0.13 0.00 0.00 32.58 32.61 3ml8 s HIS 389 CO 0.18 -0.31 0.65 0.41 -2.47 0.00 0.00 174.74 173.20 3ml8 n GLY 390 N 4.77 -0.40 3.37 1.59 0.00 -1.26 0.12 105.19 113.39 3ml8 n GLY 390 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3ml8 n GLY 390 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ml8 n GLN 391 N -4.29 0.00 -2.49 1.61 -0.06 -1.26 -4.42 117.38 106.48 3ml8 n GLN 391 Ca 0.04 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.64 3ml8 n GLN 391 Cb 0.50 -2.59 -0.04 0.00 -4.06 0.00 0.00 30.24 24.05 3ml8 n GLN 391 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3ml8 s GLN 392 N -0.13 4.63 -0.31 3.69 -0.21 0.32 -5.04 119.66 122.61 3ml8 s GLN 392 Ca 0.00 1.78 -0.07 0.00 0.02 0.00 0.00 55.36 57.09 3ml8 s GLN 392 Cb 0.00 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.86 3ml8 s GLN 392 CO 0.00 0.21 0.10 0.08 -2.12 0.00 0.00 175.29 173.55 3ml8 s VAL 393 N -1.19 4.02 0.00 1.09 1.01 -1.26 -0.46 120.40 123.62 3ml8 s VAL 393 Ca 0.45 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3ml8 s VAL 393 Cb -0.31 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3ml8 s VAL 393 CO 0.40 0.03 0.00 0.18 0.00 0.00 0.00 175.10 175.72 3ml8 n LEU 394 N 4.88 0.10 -5.01 3.92 4.77 0.18 -4.96 117.00 120.86 3ml8 n LEU 394 Ca -0.14 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 3ml8 n LEU 394 Cb 0.48 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3ml8 n LEU 394 CO 0.32 0.00 0.20 0.00 -1.33 0.00 0.00 177.39 176.58 3ml8 s GLN 396 N -4.44 0.63 0.35 0.00 0.74 -1.26 -2.15 119.66 113.53 3ml8 s GLN 396 Ca 0.57 0.89 0.05 0.00 0.05 0.00 0.00 55.36 56.91 3ml8 s GLN 396 Cb -0.09 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 3ml8 s GLN 396 CO 0.35 -0.11 0.19 1.03 -0.55 0.00 0.00 175.29 176.19 3ml8 s ARG 397 N 0.79 1.75 0.00 1.67 1.81 -1.21 -5.00 118.95 118.76 3ml8 s ARG 397 Ca -0.04 -2.03 0.00 0.00 -1.72 0.00 0.00 55.73 51.94 3ml8 s ARG 397 Cb -0.05 -0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.32 3ml8 s ARG 397 CO -0.06 -0.52 0.00 0.54 -0.68 0.00 0.00 175.30 174.58 3ml8 n ARG 398 N -0.70 0.00 -4.01 3.54 1.74 -1.26 -2.11 116.66 113.86 3ml8 n ARG 398 Ca 0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.00 3ml8 n ARG 398 Cb 0.64 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.97 3ml8 n ARG 398 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ml8 s THR 399 N -1.46 0.15 0.21 0.55 -4.23 -0.99 -4.93 115.64 104.94 3ml8 s THR 399 Ca 0.00 -1.15 -0.19 0.00 -1.18 0.00 0.00 61.69 59.17 3ml8 s THR 399 Cb 0.00 -0.59 -0.13 0.00 1.34 0.00 0.00 72.50 73.12 3ml8 s THR 399 CO 0.00 -0.62 0.27 -1.54 -0.54 0.00 0.00 174.62 172.18 3ml8 n SER 400 N 1.21 -1.43 -3.86 3.99 3.41 -1.26 -4.50 113.62 111.18 3ml8 n SER 400 Ca -0.21 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3ml8 n SER 400 Cb 0.57 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3ml8 n SER 400 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3ml8 n PRO 401 N 0.86 1.54 0.00 4.33 -0.02 -1.26 -4.66 135.00 135.79 3ml8 n PRO 401 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3ml8 n PRO 401 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 3ml8 n PRO 401 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ml8 n LYS 402 N 0.00 0.00 -2.30 -0.52 3.00 -1.23 -4.81 118.16 112.31 3ml8 n LYS 402 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3ml8 n LYS 402 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3ml8 n LYS 402 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 3ml8 s PRO 403 N -2.00 4.49 -0.73 1.64 0.02 -1.26 -1.71 135.00 135.44 3ml8 s PRO 403 Ca 0.00 2.00 -0.25 0.00 0.02 0.00 0.00 61.00 62.77 3ml8 s PRO 403 Cb 0.00 -3.15 0.05 0.00 0.02 0.00 0.00 34.50 31.42 3ml8 s PRO 403 CO 0.00 -0.02 1.17 0.12 -0.33 0.00 0.00 177.00 177.94 3ml8 s PHE 404 N -0.94 2.46 0.18 6.54 2.19 0.48 -4.81 117.98 124.08 3ml8 s PHE 404 Ca 0.48 -0.32 0.06 0.00 0.33 0.00 0.00 56.93 57.48 3ml8 s PHE 404 Cb -0.36 -4.50 -0.05 0.00 -1.31 0.00 0.00 43.02 36.81 3ml8 s PHE 404 CO 0.45 -1.90 -0.12 0.95 1.83 0.00 0.00 175.22 176.44 3ml8 s THR 405 N 4.99 1.46 0.39 0.12 -4.23 -1.26 -4.80 115.64 112.31 3ml8 s THR 405 Ca 0.31 -2.14 0.12 0.00 -1.18 0.00 0.00 61.69 58.80 3ml8 s THR 405 Cb -0.11 -1.97 0.12 0.00 1.34 0.00 0.00 72.50 71.88 3ml8 s THR 405 CO 0.11 -0.65 1.28 -0.33 -0.54 0.00 0.00 174.62 174.49 3ml8 h GLU 406 N 2.65 0.00 -3.20 3.99 4.39 -1.94 -3.35 114.58 117.12 3ml8 h GLU 406 Ca -0.37 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.18 3ml8 h GLU 406 Cb 1.21 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.63 3ml8 h GLU 406 CO 0.63 0.00 -0.41 -2.00 -1.16 0.00 0.00 179.01 176.07 3ml8 s GLU 407 N -3.60 0.43 -0.05 2.33 2.12 -1.26 -2.24 118.70 116.42 3ml8 s GLU 407 Ca -0.01 0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.33 3ml8 s GLU 407 Cb 0.03 0.19 0.04 0.00 0.26 0.00 0.00 34.13 34.65 3ml8 s GLU 407 CO 0.11 -0.09 0.12 0.08 -0.54 0.00 0.00 175.26 174.94 3ml8 s VAL 408 N -0.58 -0.06 0.07 3.70 1.01 -0.49 -4.99 120.40 119.07 3ml8 s VAL 408 Ca -0.07 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.18 3ml8 s VAL 408 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3ml8 s VAL 408 CO 0.02 0.08 -0.20 -0.76 0.00 0.00 0.00 175.10 174.24 3ml8 s LEU 409 N 1.19 2.24 0.00 3.92 1.43 -1.26 0.37 118.68 126.57 3ml8 s LEU 409 Ca -0.09 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3ml8 s LEU 409 Cb -0.12 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.25 3ml8 s LEU 409 CO -0.05 0.08 0.00 0.79 0.23 0.00 0.00 176.35 177.39 3ml8 n TRP 410 N 1.42 0.00 -1.14 0.29 8.01 -0.86 -4.93 117.44 120.23 3ml8 n TRP 410 Ca -0.19 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.92 3ml8 n TRP 410 Cb 0.54 0.02 -0.04 0.00 -2.01 0.00 0.00 31.31 29.82 3ml8 n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3ml8 n ASN 411 N -2.36 -2.81 -4.70 -0.99 5.15 -1.09 -4.95 115.26 103.52 3ml8 n ASN 411 Ca 0.00 0.21 -0.30 0.00 -0.60 0.00 0.00 54.58 53.89 3ml8 n ASN 411 Cb 0.39 -2.55 0.15 0.00 -0.53 0.00 0.00 39.78 37.24 3ml8 n ASN 411 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ml8 s VAL 412 N -1.61 2.52 -0.11 3.44 -7.23 -1.18 -4.85 120.40 111.40 3ml8 s VAL 412 Ca 0.00 0.17 -0.01 0.00 -1.81 0.00 0.00 61.98 60.33 3ml8 s VAL 412 Cb 0.00 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 3ml8 s VAL 412 CO 0.00 -0.22 -0.07 0.26 -0.31 0.00 0.00 175.10 174.75 3ml8 s TRP 413 N -2.91 2.93 -0.41 2.82 0.52 -1.26 -2.01 118.94 118.61 3ml8 s TRP 413 Ca 0.64 -0.21 -0.10 0.00 0.02 0.00 0.00 56.10 56.45 3ml8 s TRP 413 Cb -0.18 -1.81 0.07 0.00 -1.15 0.00 0.00 33.47 30.39 3ml8 s TRP 413 CO 0.57 0.11 0.26 -0.51 0.02 0.00 0.00 176.95 177.41 3ml8 s LEU 414 N -0.23 5.09 0.11 2.99 1.43 -0.86 -4.98 118.68 122.23 3ml8 s LEU 414 Ca 0.03 -1.36 -0.27 0.00 -1.03 0.00 0.00 54.13 51.50 3ml8 s LEU 414 Cb -0.13 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 3ml8 s LEU 414 CO 0.03 -0.51 0.84 -0.70 0.23 0.00 0.00 176.35 176.23 3ml8 s GLU 415 N 1.48 4.60 0.33 1.70 2.12 -1.26 -2.41 118.70 125.26 3ml8 s GLU 415 Ca 0.03 1.23 0.07 0.00 0.36 0.00 0.00 54.97 56.66 3ml8 s GLU 415 Cb -0.22 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 3ml8 s GLU 415 CO 0.04 0.36 0.35 -0.06 -0.54 0.00 0.00 175.26 175.41 3ml8 s PHE 416 N -0.43 3.00 -0.68 5.30 0.40 -0.19 -4.94 117.98 120.43 3ml8 s PHE 416 Ca 0.40 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.45 3ml8 s PHE 416 Cb -0.22 -1.83 0.38 0.00 0.51 0.00 0.00 43.02 41.86 3ml8 s PHE 416 CO 0.26 0.15 2.07 -1.13 0.70 0.00 0.00 175.22 177.27 3ml8 n SER 417 N -1.45 7.50 -3.91 1.36 3.41 -1.26 -4.34 113.62 114.93 3ml8 n SER 417 Ca -0.02 -3.71 -0.26 0.00 -0.26 0.00 0.00 58.87 54.62 3ml8 n SER 417 Cb 0.59 -1.02 -0.17 0.00 -0.26 0.00 0.00 64.21 63.35 3ml8 n SER 417 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ml8 s ILE 418 N -4.55 0.96 0.80 -1.33 1.01 -1.26 -4.91 121.20 111.92 3ml8 s ILE 418 Ca 0.58 -0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 3ml8 s ILE 418 Cb 0.46 -0.97 0.08 0.00 0.01 0.00 0.00 42.46 42.04 3ml8 s ILE 418 CO -0.13 0.35 1.20 -0.54 0.00 0.00 0.00 174.94 175.81 3ml8 s LYS 419 N 1.52 1.70 0.19 2.79 1.02 -1.26 0.25 119.74 125.95 3ml8 s LYS 419 Ca 0.01 1.71 -0.10 0.00 0.02 0.00 0.00 55.97 57.61 3ml8 s LYS 419 Cb -0.13 -1.79 0.12 0.00 -0.52 0.00 0.00 37.83 35.51 3ml8 s LYS 419 CO -0.06 -2.16 1.76 0.82 -0.92 0.00 0.00 175.35 174.80 3ml8 h ILE 420 N -0.88 1.24 0.00 2.17 1.08 -1.65 -2.39 117.51 117.08 3ml8 h ILE 420 Ca -0.46 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 3ml8 h ILE 420 Cb 1.29 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 3ml8 h ILE 420 CO 0.47 0.30 0.00 2.29 -0.69 0.00 0.00 178.15 180.51 3ml8 n LYS 421 N -4.39 0.16 0.00 2.37 2.85 -1.14 -2.30 118.16 115.71 3ml8 n LYS 421 Ca 0.05 0.11 0.10 0.00 -1.05 0.00 0.00 58.31 57.53 3ml8 n LYS 421 Cb 0.16 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.98 3ml8 n LYS 421 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ml8 n ASP 422 N -1.39 1.07 -4.70 -5.58 8.00 -0.92 -4.41 116.55 108.63 3ml8 n ASP 422 Ca 0.08 -0.98 -0.43 0.00 0.71 0.00 0.00 54.79 54.17 3ml8 n ASP 422 Cb 0.21 0.85 -0.03 0.00 -0.02 0.00 0.00 41.12 42.12 3ml8 n ASP 422 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ml8 n LEU 423 N -1.32 3.90 -4.86 0.64 4.77 -0.97 -4.11 117.00 115.05 3ml8 n LEU 423 Ca 0.05 1.03 -0.37 0.00 -0.03 0.00 0.00 56.01 56.68 3ml8 n LEU 423 Cb 0.35 -1.54 -0.06 0.00 -2.33 0.00 0.00 43.42 39.84 3ml8 n LEU 423 CO 0.40 0.12 -0.05 -2.16 -1.33 0.00 0.00 177.39 174.38 3ml8 s PRO 424 N 1.98 3.65 -0.24 3.23 0.04 -1.26 -4.97 135.00 137.43 3ml8 s PRO 424 Ca 0.79 0.10 -0.39 0.00 0.04 0.00 0.00 61.00 61.55 3ml8 s PRO 424 Cb -0.52 -3.19 -0.15 0.00 0.04 0.00 0.00 34.50 30.68 3ml8 s PRO 424 CO 0.36 0.73 1.77 1.17 0.04 0.00 0.00 177.00 181.07 3ml8 n LYS 425 N 1.85 1.36 0.00 4.56 3.00 -1.26 -1.21 118.16 126.46 3ml8 n LYS 425 Ca -0.17 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 3ml8 n LYS 425 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 35.03 33.35 3ml8 n LYS 425 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ml8 n GLY 426 N 4.23 1.15 3.78 3.14 0.00 -1.26 -4.75 105.19 111.47 3ml8 n GLY 426 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 3ml8 n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml8 s ALA 427 N -2.00 3.20 -0.15 4.61 0.00 -0.35 -4.61 121.76 122.46 3ml8 s ALA 427 Ca 0.00 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 3ml8 s ALA 427 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3ml8 s ALA 427 CO 0.00 -0.04 -0.12 -0.51 0.00 0.00 0.00 175.76 175.09 3ml8 s LEU 428 N -2.13 2.72 -0.02 0.00 1.43 -0.34 -1.85 118.68 118.49 3ml8 s LEU 428 Ca 0.52 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 3ml8 s LEU 428 Cb -0.23 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 3ml8 s LEU 428 CO 0.29 0.12 1.29 -0.22 0.23 0.00 0.00 176.35 178.06 3ml8 s LEU 429 N 0.61 4.30 -0.32 1.79 2.96 0.67 -0.90 118.68 127.79 3ml8 s LEU 429 Ca -0.07 1.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.83 3ml8 s LEU 429 Cb -0.15 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.06 3ml8 s LEU 429 CO 0.03 -0.63 0.02 0.21 -1.32 0.00 0.00 176.35 174.66 3ml8 s ASN 430 N 1.60 4.77 -0.11 3.68 3.84 0.62 -0.80 114.94 128.54 3ml8 s ASN 430 Ca 0.60 -1.80 -0.19 0.00 0.21 0.00 0.00 52.86 51.68 3ml8 s ASN 430 Cb -0.28 -1.65 -0.04 0.00 -0.55 0.00 0.00 41.25 38.73 3ml8 s ASN 430 CO 0.25 -0.33 0.50 -0.76 -2.79 0.00 0.00 177.10 173.96 3ml8 s LEU 431 N 1.04 4.28 0.09 3.21 1.43 -0.50 -1.53 118.68 126.71 3ml8 s LEU 431 Ca 0.03 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 3ml8 s LEU 431 Cb -0.20 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 3ml8 s LEU 431 CO -0.06 -0.00 -0.07 -1.10 0.23 0.00 0.00 176.35 175.35 3ml8 s GLN 432 N 0.61 0.81 -0.10 1.70 -0.21 0.11 -1.77 119.66 120.82 3ml8 s GLN 432 Ca 0.27 -1.25 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 3ml8 s GLN 432 Cb -0.15 -0.28 0.03 0.00 1.00 0.00 0.00 33.01 33.61 3ml8 s GLN 432 CO 0.11 0.01 -0.02 0.42 -2.12 0.00 0.00 175.29 173.69 3ml8 s ILE 433 N -3.18 0.61 0.36 1.08 1.01 -0.58 0.13 121.20 120.63 3ml8 s ILE 433 Ca 0.09 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.71 3ml8 s ILE 433 Cb 0.02 -0.77 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 3ml8 s ILE 433 CO -0.03 0.23 0.03 -0.31 0.00 0.00 0.00 174.94 174.85 3ml8 s TYR 434 N 1.87 2.54 0.00 3.97 2.02 -0.87 -1.28 117.35 125.60 3ml8 s TYR 434 Ca 0.04 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 3ml8 s TYR 434 Cb -0.13 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3ml8 s TYR 434 CO -0.06 0.44 0.00 0.00 -1.57 0.00 0.00 175.55 174.36 3ml8 s LEU 460 N -0.37 4.37 0.00 0.00 2.96 -1.26 -4.35 118.68 120.02 3ml8 s LEU 460 Ca 0.00 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 3ml8 s LEU 460 Cb 0.00 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3ml8 s LEU 460 CO 0.00 0.09 0.00 0.18 -1.32 0.00 0.00 176.35 175.30 3ml8 n LEU 461 N 0.90 0.09 -3.75 -0.68 4.77 -0.40 -4.90 117.00 113.03 3ml8 n LEU 461 Ca -0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 3ml8 n LEU 461 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3ml8 n LEU 461 CO 0.43 0.02 0.03 -0.31 -1.33 0.00 0.00 177.39 176.23 3ml8 s TYR 462 N -1.05 -0.32 0.09 -1.77 2.02 -1.23 -2.55 117.35 112.53 3ml8 s TYR 462 Ca 0.00 0.72 -0.01 0.00 -0.37 0.00 0.00 57.07 57.42 3ml8 s TYR 462 Cb 0.00 0.13 -0.04 0.00 -0.40 0.00 0.00 41.96 41.65 3ml8 s TYR 462 CO 0.00 -0.27 0.00 1.52 -1.57 0.00 0.00 175.55 175.24 3ml8 s TYR 463 N -0.36 0.69 -0.06 2.71 -0.85 -0.63 -1.53 117.35 117.31 3ml8 s TYR 463 Ca -0.05 -1.13 -0.29 0.00 -0.52 0.00 0.00 57.07 55.08 3ml8 s TYR 463 Cb -0.03 -0.44 0.11 0.00 0.38 0.00 0.00 41.96 41.97 3ml8 s TYR 463 CO 0.02 -0.42 0.90 0.54 -1.52 0.00 0.00 175.55 175.07 3ml8 s VAL 464 N -3.95 0.00 0.11 -3.49 0.11 -0.73 -1.14 120.40 111.31 3ml8 s VAL 464 Ca 0.15 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 3ml8 s VAL 464 Cb 0.08 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3ml8 s VAL 464 CO -0.05 0.00 -0.13 0.20 -3.33 0.00 0.00 175.10 171.79 3ml8 s ASN 465 N -1.90 1.80 -0.05 3.54 0.01 -1.26 -1.41 114.94 115.67 3ml8 s ASN 465 Ca 0.01 -0.78 -0.02 0.00 -0.71 0.00 0.00 52.86 51.36 3ml8 s ASN 465 Cb -0.01 -0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.64 3ml8 s ASN 465 CO -0.04 -0.17 0.07 -0.22 -1.51 0.00 0.00 177.10 175.24 3ml8 s LEU 466 N -2.35 0.16 -0.08 0.60 2.96 0.02 -4.74 118.68 115.26 3ml8 s LEU 466 Ca 0.06 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.80 3ml8 s LEU 466 Cb -0.05 -0.07 -0.07 0.00 0.50 0.00 0.00 46.19 46.50 3ml8 s LEU 466 CO 0.02 -0.24 2.02 -0.76 -1.32 0.00 0.00 176.35 176.07 3ml8 s LEU 467 N 2.12 4.04 0.12 -0.68 1.43 -1.26 -0.24 118.68 124.21 3ml8 s LEU 467 Ca 0.04 2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 55.30 3ml8 s LEU 467 Cb -0.12 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3ml8 s LEU 467 CO -0.03 -1.39 1.56 -0.07 0.23 0.00 0.00 176.35 176.65 3ml8 h LEU 468 N 12.28 0.71 -9.34 1.79 3.38 -1.72 -3.41 115.31 119.00 3ml8 h LEU 468 Ca -0.45 -0.32 -0.61 0.00 0.09 0.00 0.00 57.88 56.59 3ml8 h LEU 468 Cb 1.23 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 3ml8 h LEU 468 CO 0.95 0.86 -0.47 -0.63 0.09 0.00 0.00 178.44 179.24 3ml8 s ILE 469 N -4.95 5.41 0.59 1.22 1.01 -1.26 -0.76 121.20 122.45 3ml8 s ILE 469 Ca -0.13 0.24 0.08 0.00 0.00 0.00 0.00 60.65 60.84 3ml8 s ILE 469 Cb 0.10 -3.48 0.09 0.00 0.01 0.00 0.00 42.46 39.18 3ml8 s ILE 469 CO 0.80 0.47 0.81 1.51 0.00 0.00 0.00 174.94 178.52 3ml8 s ASP 470 N 0.10 5.03 0.05 3.58 -4.77 -0.59 -4.60 116.67 115.48 3ml8 s ASP 470 Ca 0.10 -0.74 0.09 0.00 -3.30 0.00 0.00 52.55 48.70 3ml8 s ASP 470 Cb -0.11 0.18 0.41 0.00 -1.09 0.00 0.00 42.92 42.30 3ml8 s ASP 470 CO -0.00 -1.38 1.28 0.00 0.70 0.00 0.00 175.17 175.77 3ml8 n HIS 471 N -2.31 0.13 -0.51 2.11 -0.00 -1.26 0.47 115.22 113.85 3ml8 n HIS 471 Ca 0.15 0.06 0.09 0.00 -0.00 0.00 0.00 57.72 58.02 3ml8 n HIS 471 Cb 0.61 -0.59 0.29 0.00 -0.00 0.00 0.00 29.99 30.30 3ml8 n HIS 471 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3ml8 n ARG 472 N -1.62 3.24 -1.71 -1.40 1.74 -1.26 -4.96 116.66 110.69 3ml8 n ARG 472 Ca 0.01 -2.64 -0.15 0.00 -0.77 0.00 0.00 57.85 54.30 3ml8 n ARG 472 Cb 0.08 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.80 3ml8 n ARG 472 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3ml8 n PHE 473 N 0.88 -0.23 -4.02 -1.55 3.01 0.18 -4.97 117.46 110.76 3ml8 n PHE 473 Ca 0.22 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.32 3ml8 n PHE 473 Cb 0.73 -2.86 -0.09 0.00 -0.01 0.00 0.00 39.48 37.25 3ml8 n PHE 473 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ml8 s LEU 474 N -3.81 3.93 0.38 4.37 1.43 -1.26 -1.63 118.68 122.11 3ml8 s LEU 474 Ca 0.00 0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 3ml8 s LEU 474 Cb 0.00 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 44.15 3ml8 s LEU 474 CO 0.00 0.26 1.36 -0.22 0.23 0.00 0.00 176.35 177.98 3ml8 s LEU 475 N -0.14 4.28 -0.60 1.79 2.96 1.87 -1.54 118.68 127.31 3ml8 s LEU 475 Ca 0.08 2.79 -0.23 0.00 -0.22 0.00 0.00 54.13 56.54 3ml8 s LEU 475 Cb -0.12 -3.78 0.05 0.00 0.50 0.00 0.00 46.19 42.84 3ml8 s LEU 475 CO 0.01 -0.81 0.94 -0.60 -1.32 0.00 0.00 176.35 174.57 3ml8 s ARG 476 N -2.11 3.22 -0.07 1.98 3.52 0.06 -4.78 118.95 120.76 3ml8 s ARG 476 Ca 0.54 -0.54 0.04 0.00 -0.13 0.00 0.00 55.73 55.64 3ml8 s ARG 476 Cb -0.41 -4.14 -0.01 0.00 -1.56 0.00 0.00 34.95 28.83 3ml8 s ARG 476 CO 0.54 -1.64 -0.21 1.03 -0.81 0.00 0.00 175.30 174.22 3ml8 s ARG 477 N 3.99 2.73 0.00 5.12 0.52 -1.26 -4.81 118.95 125.24 3ml8 s ARG 477 Ca 0.26 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 3ml8 s ARG 477 Cb -0.15 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.02 3ml8 s ARG 477 CO 0.15 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.26 3ml8 n GLY 478 N 2.97 -0.85 3.88 -3.53 0.00 -0.96 -4.99 105.19 101.71 3ml8 n GLY 478 Ca -0.18 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 3ml8 n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ml8 s GLU 479 N -1.72 3.53 -0.06 1.61 0.41 -1.26 -1.42 118.70 119.79 3ml8 s GLU 479 Ca 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 54.97 54.44 3ml8 s GLU 479 Cb 0.00 -3.14 0.04 0.00 -1.78 0.00 0.00 34.13 29.25 3ml8 s GLU 479 CO 0.00 0.71 0.12 0.71 -0.49 0.00 0.00 175.26 176.31 3ml8 s TYR 480 N -1.17 -0.11 -0.46 1.61 1.51 -1.14 -5.02 117.35 112.56 3ml8 s TYR 480 Ca 0.22 0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.73 3ml8 s TYR 480 Cb -0.13 -0.16 0.12 0.00 -0.11 0.00 0.00 41.96 41.69 3ml8 s TYR 480 CO 0.11 -0.17 0.21 0.08 -1.11 0.00 0.00 175.55 174.67 3ml8 s VAL 481 N 1.35 2.18 -0.23 0.71 1.01 -1.26 -2.31 120.40 121.85 3ml8 s VAL 481 Ca -0.07 -2.87 -0.09 0.00 0.00 0.00 0.00 61.98 58.95 3ml8 s VAL 481 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3ml8 s VAL 481 CO -0.05 -0.78 0.12 -0.76 0.00 0.00 0.00 175.10 173.63 3ml8 s LEU 482 N 0.17 3.89 0.18 3.92 1.43 -1.00 -4.95 118.68 122.31 3ml8 s LEU 482 Ca 0.16 0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 3ml8 s LEU 482 Cb -0.24 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 3ml8 s LEU 482 CO -0.03 0.06 0.81 -1.00 0.23 0.00 0.00 176.35 176.42 3ml8 s HIS 483 N 1.06 3.92 0.12 0.29 3.76 -1.26 -1.93 115.29 121.25 3ml8 s HIS 483 Ca 0.06 1.69 0.08 0.00 -0.15 0.00 0.00 55.06 56.74 3ml8 s HIS 483 Cb -0.14 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 3ml8 s HIS 483 CO 0.04 0.50 -0.14 -1.64 -0.85 0.00 0.00 174.74 172.65 3ml8 s MET 484 N -1.14 1.93 0.02 1.40 1.00 0.32 -1.81 119.30 121.02 3ml8 s MET 484 Ca 0.37 -1.13 -0.24 0.00 0.00 0.00 0.00 55.69 54.68 3ml8 s MET 484 Cb -0.24 -2.19 -0.05 0.00 0.00 0.00 0.00 34.83 32.35 3ml8 s MET 484 CO 0.27 0.48 0.75 -1.58 0.00 0.00 0.00 175.02 174.94 3ml8 s TRP 485 N -1.23 3.71 1.18 -0.03 0.52 -0.29 -4.36 118.94 118.43 3ml8 s TRP 485 Ca 0.20 1.42 -0.19 0.00 0.02 0.00 0.00 56.10 57.55 3ml8 s TRP 485 Cb -0.11 -2.80 0.28 0.00 -1.15 0.00 0.00 33.47 29.69 3ml8 s TRP 485 CO 0.12 0.25 1.15 -1.14 0.02 0.00 0.00 176.95 177.35 3ml8 s GLN 486 N 0.06 -1.08 -0.06 4.98 2.00 -1.26 -1.61 119.66 122.69 3ml8 s GLN 486 Ca 0.38 -0.19 0.02 0.00 -2.00 0.00 0.00 55.36 53.57 3ml8 s GLN 486 Cb -0.20 -1.62 0.02 0.00 0.80 0.00 0.00 33.01 32.00 3ml8 s GLN 486 CO 0.22 -3.59 -0.10 0.42 -0.50 0.00 0.00 175.29 171.73 3ml8 s ILE 487 N -3.16 0.98 0.67 -2.34 -1.09 -1.06 -4.75 121.20 110.45 3ml8 s ILE 487 Ca 0.72 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 58.70 3ml8 s ILE 487 Cb -0.08 -0.91 0.05 0.00 -1.58 0.00 0.00 42.46 39.94 3ml8 s ILE 487 CO 0.55 0.32 0.98 -0.94 -1.23 0.00 0.00 174.94 174.62 3ml8 s SER 488 N 0.72 4.97 0.00 3.58 1.04 -1.26 -5.02 113.70 117.72 3ml8 s SER 488 Ca -0.14 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3ml8 s SER 488 Cb -0.15 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.80 3ml8 s SER 488 CO 0.03 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.38 3ml8 n GLY 489 N -2.82 0.41 1.31 7.32 0.00 -1.26 -5.11 105.19 105.04 3ml8 n GLY 489 Ca 0.08 -1.23 0.03 0.00 0.00 0.00 0.00 46.02 44.89 3ml8 n GLY 489 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ml8 n SER 496 N 0.00 1.48 0.00 1.61 7.64 -1.26 -5.26 113.62 117.83 3ml8 n SER 496 Ca 0.00 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.13 3ml8 n SER 496 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3ml8 n SER 496 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ml8 n PHE 497 N -0.20 0.00 0.00 1.43 3.01 -1.26 -4.68 117.46 115.75 3ml8 n PHE 497 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3ml8 n PHE 497 Cb 0.96 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.43 3ml8 n PHE 497 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ml8 n ASN 498 N 0.00 0.00 0.19 4.37 4.05 -1.26 -4.49 115.26 118.12 3ml8 n ASN 498 Ca 0.00 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.08 3ml8 n ASN 498 Cb 0.00 0.00 0.39 0.00 1.23 0.00 0.00 39.78 41.40 3ml8 n ASN 498 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3ml8 h ALA 499 N 0.00 1.13 -0.91 5.20 0.00 -1.61 -2.09 119.26 120.98 3ml8 h ALA 499 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.64 3ml8 h ALA 499 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3ml8 h ALA 499 CO 0.00 0.45 0.59 -0.44 0.00 0.00 0.00 179.25 179.85 3ml8 h ASP 500 N 0.00 0.93 0.02 0.00 3.32 -1.94 -2.57 116.42 116.18 3ml8 h ASP 500 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ml8 h ASP 500 Cb 0.77 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3ml8 h ASP 500 CO 0.05 0.61 0.00 0.29 -1.72 0.00 0.00 179.24 178.46 3ml8 n LYS 501 N -4.48 0.01 0.00 3.56 5.02 -0.79 -1.69 118.16 119.79 3ml8 n LYS 501 Ca 0.13 0.34 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 3ml8 n LYS 501 Cb 0.18 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.76 3ml8 n LYS 501 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ml8 n LEU 502 N -1.35 2.64 -4.78 -0.35 4.77 -0.97 -4.97 117.00 111.98 3ml8 n LEU 502 Ca 0.00 -0.96 -0.37 0.00 -0.03 0.00 0.00 56.01 54.66 3ml8 n LEU 502 Cb 0.01 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3ml8 n LEU 502 CO 0.01 0.45 0.66 0.28 -1.33 0.00 0.00 177.39 177.46 3ml8 s THR 503 N -1.88 4.17 -2.28 -5.08 -1.32 -0.68 -4.94 115.64 103.62 3ml8 s THR 503 Ca 0.24 1.74 0.21 0.00 -1.21 0.00 0.00 61.69 62.67 3ml8 s THR 503 Cb 0.18 -3.94 0.46 0.00 -1.51 0.00 0.00 72.50 67.69 3ml8 s THR 503 CO 0.31 0.08 1.55 -1.54 -2.21 0.00 0.00 174.62 172.82 3ml8 n SER 504 N 0.38 1.66 -4.93 8.08 3.41 -1.26 -4.18 113.62 116.78 3ml8 n SER 504 Ca 0.03 -1.70 -0.26 0.00 -0.26 0.00 0.00 58.87 56.67 3ml8 n SER 504 Cb 0.50 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 3ml8 n SER 504 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ml8 s ALA 505 N -1.80 3.81 0.14 7.33 0.00 -1.26 -4.88 121.76 125.10 3ml8 s ALA 505 Ca 0.32 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.51 3ml8 s ALA 505 Cb 0.18 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3ml8 s ALA 505 CO 0.26 0.34 -0.13 0.95 0.00 0.00 0.00 175.76 177.18 3ml8 s THR 506 N -1.96 3.09 0.19 0.00 -4.23 -1.26 -4.77 115.64 106.70 3ml8 s THR 506 Ca 0.39 -1.50 -0.33 0.00 -1.18 0.00 0.00 61.69 59.07 3ml8 s THR 506 Cb -0.11 -2.47 -0.13 0.00 1.34 0.00 0.00 72.50 71.14 3ml8 s THR 506 CO 0.30 0.03 1.63 -3.20 -0.54 0.00 0.00 174.62 172.84 3ml8 n ASN 507 N 0.51 3.50 0.08 3.99 2.85 -0.75 -4.91 115.26 120.53 3ml8 n ASN 507 Ca -0.13 1.08 -0.19 0.00 -0.11 0.00 0.00 54.58 55.23 3ml8 n ASN 507 Cb 0.54 -1.50 -0.11 0.00 1.24 0.00 0.00 39.78 39.95 3ml8 n ASN 507 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3ml8 h PRO 508 N 6.17 0.53 -5.83 1.20 0.13 -1.91 -3.43 132.00 128.86 3ml8 h PRO 508 Ca -0.44 -0.68 -0.41 0.00 -0.87 0.00 0.00 66.00 63.60 3ml8 h PRO 508 Cb 1.23 0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.55 3ml8 h PRO 508 CO 0.91 1.29 1.14 0.34 -0.23 0.00 0.00 178.00 181.45 3ml8 s ASP 509 N -7.29 5.05 -0.12 1.44 2.15 -1.26 -4.80 116.67 111.84 3ml8 s ASP 509 Ca -0.08 0.13 -0.23 0.00 0.43 0.00 0.00 52.55 52.81 3ml8 s ASP 509 Cb 0.07 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.89 3ml8 s ASP 509 CO 0.91 -2.63 0.65 0.11 -0.17 0.00 0.00 175.17 174.04 3ml8 h LYS 510 N 14.40 0.13 0.00 4.34 1.57 -1.91 -3.04 116.57 132.06 3ml8 h LYS 510 Ca -0.15 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3ml8 h LYS 510 Cb 1.12 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3ml8 h LYS 510 CO 1.20 1.10 0.32 0.93 -0.57 0.00 0.00 179.45 182.43 3ml8 h GLU 511 N -0.69 0.00 0.00 3.15 5.08 -2.00 -1.21 114.58 118.90 3ml8 h GLU 511 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3ml8 h GLU 511 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3ml8 h GLU 511 CO 0.01 0.00 -0.96 0.09 -1.00 0.00 0.00 179.01 177.15 3ml8 n ASN 512 N -2.25 4.80 -4.81 1.42 3.02 -1.26 -4.92 115.26 111.26 3ml8 n ASN 512 Ca -0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.17 3ml8 n ASN 512 Cb 0.35 0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 40.04 3ml8 n ASN 512 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ml8 s SER 513 N -2.70 7.10 0.81 6.41 1.04 -0.46 -4.78 113.70 121.13 3ml8 s SER 513 Ca 0.00 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 57.73 3ml8 s SER 513 Cb 0.00 -2.42 0.07 0.00 0.10 0.00 0.00 66.02 63.77 3ml8 s SER 513 CO 0.00 0.08 1.11 0.80 0.98 0.00 0.00 173.24 176.21 3ml8 n MET 514 N 0.95 0.14 -3.91 4.02 1.56 -1.26 -4.69 117.12 113.92 3ml8 n MET 514 Ca -0.04 0.12 -0.09 0.00 -0.27 0.00 0.00 57.70 57.42 3ml8 n MET 514 Cb 0.51 -2.36 -0.09 0.00 2.15 0.00 0.00 33.22 33.43 3ml8 n MET 514 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3ml8 s SER 515 N -2.09 0.16 0.02 6.12 0.15 -1.15 -0.52 113.70 116.38 3ml8 s SER 515 Ca 0.72 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.86 3ml8 s SER 515 Cb -0.29 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 3ml8 s SER 515 CO 0.52 -0.55 -0.07 -0.51 1.20 0.00 0.00 173.24 173.83 3ml8 s ILE 516 N -2.80 0.54 -0.07 6.45 2.07 -0.81 -2.43 121.20 124.14 3ml8 s ILE 516 Ca -0.03 -0.61 0.06 0.00 -1.41 0.00 0.00 60.65 58.66 3ml8 s ILE 516 Cb -0.00 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 3ml8 s ILE 516 CO -0.05 -0.07 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.23 3ml8 s SER 517 N -0.74 3.12 0.10 4.50 0.01 0.25 -2.39 113.70 118.55 3ml8 s SER 517 Ca -0.02 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 3ml8 s SER 517 Cb -0.05 -0.96 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 3ml8 s SER 517 CO 0.00 0.23 0.07 0.27 0.41 0.00 0.00 173.24 174.22 3ml8 s ILE 518 N -0.07 0.14 -0.13 1.44 -4.36 -0.98 -0.52 121.20 116.73 3ml8 s ILE 518 Ca -0.06 -1.73 -0.01 0.00 -0.26 0.00 0.00 60.65 58.59 3ml8 s ILE 518 Cb -0.15 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.83 3ml8 s ILE 518 CO 0.05 -0.64 -0.05 -0.22 0.24 0.00 0.00 174.94 174.32 3ml8 s LEU 519 N -2.98 1.21 -0.30 0.37 2.96 0.19 -2.90 118.68 117.24 3ml8 s LEU 519 Ca 0.16 -0.39 -0.23 0.00 -0.22 0.00 0.00 54.13 53.44 3ml8 s LEU 519 Cb 0.07 -0.79 -0.00 0.00 0.50 0.00 0.00 46.19 45.97 3ml8 s LEU 519 CO -0.04 -0.16 0.77 -0.76 -1.32 0.00 0.00 176.35 174.85 3ml8 s LEU 520 N 1.73 4.09 0.27 -0.68 2.01 -0.51 0.76 118.68 126.36 3ml8 s LEU 520 Ca 0.04 0.65 -0.10 0.00 0.01 0.00 0.00 54.13 54.72 3ml8 s LEU 520 Cb -0.13 -3.05 -0.08 0.00 0.01 0.00 0.00 46.19 42.93 3ml8 s LEU 520 CO -0.08 -0.60 -0.06 0.47 1.01 0.00 0.00 176.35 177.10 3ml8 n ASP 521 N 6.16 -1.99 0.00 2.29 9.92 -1.26 -2.27 116.55 129.40 3ml8 n ASP 521 Ca 0.03 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 3ml8 n ASP 521 Cb 0.48 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 3ml8 n ASP 521 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3ml8 n ASN 522 N 1.37 0.00 -1.61 -2.24 2.85 -1.26 -4.25 115.26 110.12 3ml8 n ASN 522 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 3ml8 n ASN 522 Cb 0.26 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.28 3ml8 n ASN 522 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3ml8 n TYR 523 N 0.00 -4.02 0.00 1.20 0.53 -1.26 -4.56 117.16 109.06 3ml8 n TYR 523 Ca 0.00 2.15 0.00 0.00 -1.02 0.00 0.00 57.90 59.03 3ml8 n TYR 523 Cb 0.00 -3.24 0.00 0.00 -1.03 0.00 0.00 39.34 35.07 3ml8 n TYR 523 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3ml8 s HIS 525 N 0.00 3.40 -0.31 0.00 3.76 -1.26 -5.09 115.29 115.78 3ml8 s HIS 525 Ca 0.00 -3.27 -0.30 0.00 -0.15 0.00 0.00 55.06 51.35 3ml8 s HIS 525 Cb 0.00 -2.69 -0.07 0.00 1.11 0.00 0.00 32.58 30.93 3ml8 s HIS 525 CO 0.00 -0.60 2.26 -0.35 -0.85 0.00 0.00 174.74 175.20 3ml8 n PRO 526 N 2.30 1.53 -3.33 8.40 -0.04 -1.26 -4.88 135.00 137.72 3ml8 n PRO 526 Ca 0.16 0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.97 3ml8 n PRO 526 Cb 0.34 -3.03 -0.05 0.00 -0.04 0.00 0.00 33.50 30.73 3ml8 n PRO 526 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ml8 s ILE 527 N 8.71 -0.82 0.00 0.52 1.01 -1.25 -0.76 121.20 128.60 3ml8 s ILE 527 Ca 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.68 3ml8 s ILE 527 Cb -0.47 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3ml8 s ILE 527 CO 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 174.94 175.28 3ml8 n ALA 528 N 5.40 0.00 -1.64 9.38 0.00 -1.11 0.50 120.51 133.04 3ml8 n ALA 528 Ca -0.04 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.94 3ml8 n ALA 528 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 3ml8 n ALA 528 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ml8 n LEU 529 N 0.00 3.47 0.00 0.00 7.94 -0.65 -3.12 117.00 124.64 3ml8 n LEU 529 Ca 0.00 0.80 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 3ml8 n LEU 529 Cb 0.00 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.53 3ml8 n LEU 529 CO 0.00 -0.15 0.00 -2.65 -1.11 0.00 0.00 177.39 173.48 3ml8 n PRO 530 N 7.30 0.00 0.00 1.96 -0.02 -1.26 -4.88 135.00 138.11 3ml8 n PRO 530 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3ml8 n PRO 530 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 3ml8 n PRO 530 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3ml8 n LYS 531 N 0.00 0.00 0.00 -0.52 -0.00 -1.26 -5.09 118.16 111.29 3ml8 n LYS 531 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ml8 n LYS 531 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3ml8 n LYS 531 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3ml8 n ARG 544 N 0.00 0.00 0.00 -1.58 5.12 -1.26 -5.25 116.66 113.69 3ml8 n ARG 544 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3ml8 n ARG 544 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3ml8 n ARG 544 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ml8 n ALA 545 N 0.00 0.00 -2.98 7.54 0.00 -1.26 -5.14 120.51 118.67 3ml8 n ALA 545 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ml8 n ALA 545 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ml8 n ALA 545 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ml8 n GLU 546 N 0.00 0.00 -3.64 0.00 4.07 -1.26 -5.19 120.64 114.62 3ml8 n GLU 546 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 3ml8 n GLU 546 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 3ml8 n GLU 546 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 3ml8 s MET 547 N 2.72 0.68 0.00 5.31 0.00 -1.26 -5.13 119.30 121.61 3ml8 s MET 547 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 55.69 56.81 3ml8 s MET 547 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 34.83 34.99 3ml8 s MET 547 CO 0.00 -0.13 0.00 -2.30 0.00 0.00 0.00 175.02 172.59 3ml8 n PRO 548 N 4.05 2.21 0.00 4.11 -0.02 -1.26 -4.90 135.00 139.19 3ml8 n PRO 548 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3ml8 n PRO 548 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 3ml8 n PRO 548 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ml8 n ASN 549 N 0.00 0.03 0.23 2.55 5.15 -1.26 -4.53 115.26 117.44 3ml8 n ASN 549 Ca 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.07 3ml8 n ASN 549 Cb 0.00 0.00 0.57 0.00 -0.53 0.00 0.00 39.78 39.82 3ml8 n ASN 549 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3ml8 h GLN 550 N 0.00 0.00 0.00 1.20 5.75 -1.98 -2.03 115.11 118.05 3ml8 h GLN 550 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3ml8 h GLN 550 Cb 0.04 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.59 3ml8 h GLN 550 CO 0.00 0.21 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.31 3ml8 h LEU 551 N 0.00 -0.00 -0.64 -2.39 3.38 -1.97 0.17 115.31 113.87 3ml8 h LEU 551 Ca -0.00 -0.69 0.13 0.00 0.09 0.00 0.00 57.88 57.40 3ml8 h LEU 551 Cb 0.47 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 3ml8 h LEU 551 CO 0.03 0.69 0.12 -0.09 0.09 0.00 0.00 178.44 179.28 3ml8 h ARG 552 N -0.70 0.24 -0.03 1.13 2.43 -1.78 0.45 114.38 116.11 3ml8 h ARG 552 Ca -0.00 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3ml8 h ARG 552 Cb 0.69 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3ml8 h ARG 552 CO 0.00 0.16 -0.46 0.87 -1.51 0.00 0.00 179.97 179.03 3ml8 h LYS 553 N 0.24 0.07 -0.14 0.20 1.79 -1.34 0.35 116.57 117.75 3ml8 h LYS 553 Ca 0.34 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.67 3ml8 h LYS 553 Cb 0.53 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3ml8 h LYS 553 CO -0.45 0.52 -0.35 0.37 -1.08 0.00 0.00 179.45 178.46 3ml8 h GLN 554 N 0.06 0.29 -0.01 3.15 4.15 0.97 -2.84 115.11 120.88 3ml8 h GLN 554 Ca 0.00 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.21 3ml8 h GLN 554 Cb 0.84 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.52 3ml8 h GLN 554 CO 0.06 0.61 -0.35 1.25 -1.93 0.00 0.00 178.83 178.48 3ml8 h LEU 555 N 0.25 0.33 -1.75 -2.39 5.85 0.10 -2.63 115.31 115.08 3ml8 h LEU 555 Ca 0.03 -0.74 0.13 0.00 0.84 0.00 0.00 57.88 58.13 3ml8 h LEU 555 Cb 0.74 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3ml8 h LEU 555 CO 0.06 1.03 0.41 -0.33 -0.34 0.00 0.00 178.44 179.26 3ml8 h GLU 556 N -0.34 0.26 -0.17 1.25 5.08 -0.39 -1.48 114.58 118.79 3ml8 h GLU 556 Ca -0.04 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3ml8 h GLU 556 Cb 1.07 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3ml8 h GLU 556 CO 0.07 0.17 -0.09 0.00 -1.00 0.00 0.00 179.01 178.16 3ml8 h ALA 557 N 1.71 0.23 -0.46 3.43 0.00 -1.40 -2.53 119.26 120.24 3ml8 h ALA 557 Ca 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ml8 h ALA 557 Cb 0.75 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ml8 h ALA 557 CO -0.06 0.06 0.27 0.82 0.00 0.00 0.00 179.25 180.34 3ml8 h ILE 558 N 0.03 1.15 0.00 0.00 2.04 -0.96 -0.43 117.51 119.34 3ml8 h ILE 558 Ca 0.04 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ml8 h ILE 558 Cb 0.58 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3ml8 h ILE 558 CO 0.03 0.15 -0.02 0.40 0.00 0.00 0.00 178.15 178.71 3ml8 h ILE 559 N 0.61 0.62 0.01 -0.67 2.04 -1.26 -3.11 117.51 115.75 3ml8 h ILE 559 Ca 0.16 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 3ml8 h ILE 559 Cb 0.01 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3ml8 h ILE 559 CO -0.03 0.02 -0.24 0.00 0.00 0.00 0.00 178.15 177.91 3ml8 h ALA 560 N 1.98 0.02 -2.56 1.87 0.00 -0.64 -3.45 119.26 116.48 3ml8 h ALA 560 Ca -0.00 -0.48 -0.58 0.00 0.00 0.00 0.00 54.91 53.85 3ml8 h ALA 560 Cb 0.06 0.02 0.14 0.00 0.00 0.00 0.00 17.79 18.00 3ml8 h ALA 560 CO 0.00 0.08 0.17 -2.37 0.00 0.00 0.00 179.25 177.13 3ml8 n THR 561 N -4.51 2.75 -0.42 0.00 5.66 -1.00 -4.95 114.28 111.81 3ml8 n THR 561 Ca -0.10 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.11 3ml8 n THR 561 Cb 0.51 -1.19 0.27 0.00 -1.55 0.00 0.00 70.33 68.37 3ml8 n THR 561 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3ml8 n ASP 562 N 0.16 -2.50 0.27 1.09 5.68 -1.26 -4.86 116.55 115.13 3ml8 n ASP 562 Ca 0.10 -0.37 0.18 0.00 -0.50 0.00 0.00 54.79 54.20 3ml8 n ASP 562 Cb 0.41 -1.16 0.82 0.00 -1.14 0.00 0.00 41.12 40.05 3ml8 n ASP 562 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3ml8 h PRO 563 N -2.94 0.00 0.00 0.11 0.11 -1.92 -3.06 132.00 124.30 3ml8 h PRO 563 Ca -0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3ml8 h PRO 563 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ml8 h PRO 563 CO 0.43 0.00 -1.51 1.28 -0.21 0.00 0.00 178.00 177.99 3ml8 n LEU 564 N -2.94 0.41 -4.71 2.35 4.77 -1.26 -4.90 117.00 110.72 3ml8 n LEU 564 Ca -0.00 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 3ml8 n LEU 564 Cb 0.21 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3ml8 n LEU 564 CO 0.23 0.05 1.11 0.21 -1.33 0.00 0.00 177.39 177.67 3ml8 s ASN 565 N -4.12 6.79 0.34 -1.43 3.84 -1.16 -4.95 114.94 114.24 3ml8 s ASN 565 Ca -0.02 2.33 -0.25 0.00 0.21 0.00 0.00 52.86 55.13 3ml8 s ASN 565 Cb 0.14 -2.58 -0.10 0.00 -0.55 0.00 0.00 41.25 38.16 3ml8 s ASN 565 CO 0.87 -0.70 0.95 -2.84 -2.79 0.00 0.00 177.10 172.58 3ml8 s PRO 566 N 1.51 4.52 -0.28 0.43 0.02 -1.26 -4.92 135.00 135.02 3ml8 s PRO 566 Ca 0.66 1.29 -0.19 0.00 0.02 0.00 0.00 61.00 62.78 3ml8 s PRO 566 Cb -0.37 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3ml8 s PRO 566 CO 0.30 0.23 0.59 -0.51 -0.33 0.00 0.00 177.00 177.27 3ml8 s LEU 567 N -2.24 4.09 0.80 -5.54 1.43 -1.26 -5.06 118.68 110.91 3ml8 s LEU 567 Ca 0.52 0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 54.05 3ml8 s LEU 567 Cb -0.17 -2.77 0.07 0.00 0.03 0.00 0.00 46.19 43.35 3ml8 s LEU 567 CO 0.22 -0.38 1.10 0.28 0.23 0.00 0.00 176.35 177.80 3ml8 s THR 568 N 2.47 3.10 0.27 5.49 -1.32 -1.26 -4.83 115.64 119.55 3ml8 s THR 568 Ca 0.24 0.36 -0.02 0.00 -1.21 0.00 0.00 61.69 61.06 3ml8 s THR 568 Cb -0.15 -2.77 0.26 0.00 -1.51 0.00 0.00 72.50 68.33 3ml8 s THR 568 CO 0.10 -0.46 1.86 0.00 -2.21 0.00 0.00 174.62 173.90 3ml8 h ALA 569 N -1.27 1.38 -0.80 11.08 0.00 -1.99 -0.11 119.26 127.56 3ml8 h ALA 569 Ca -0.44 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3ml8 h ALA 569 Cb 1.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3ml8 h ALA 569 CO 0.50 0.33 0.52 1.49 0.00 0.00 0.00 179.25 182.09 3ml8 h GLU 570 N 1.07 1.00 -0.31 0.00 4.22 -2.00 -1.86 114.58 116.70 3ml8 h GLU 570 Ca 0.44 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.82 3ml8 h GLU 570 Cb 0.28 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ml8 h GLU 570 CO -0.21 0.66 0.18 -0.44 -2.18 0.00 0.00 179.01 177.02 3ml8 h ASP 571 N 1.03 0.38 0.08 1.04 3.32 -1.57 -2.60 116.42 118.10 3ml8 h ASP 571 Ca 0.31 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3ml8 h ASP 571 Cb -0.04 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3ml8 h ASP 571 CO -0.09 0.33 -0.04 0.11 -1.72 0.00 0.00 179.24 177.83 3ml8 h LYS 572 N 0.39 -0.10 -0.25 3.56 1.57 -0.63 -0.21 116.57 120.90 3ml8 h LYS 572 Ca 0.11 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.97 3ml8 h LYS 572 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3ml8 h LYS 572 CO -0.02 0.29 0.19 0.93 -0.57 0.00 0.00 179.45 180.28 3ml8 h GLU 573 N -0.52 0.00 0.13 3.15 5.08 -1.43 0.78 114.58 121.77 3ml8 h GLU 573 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3ml8 h GLU 573 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3ml8 h GLU 573 CO 0.02 0.00 -0.06 1.25 -1.00 0.00 0.00 179.01 179.22 3ml8 h LEU 574 N 0.00 -0.15 -0.89 1.33 7.12 -1.02 -1.57 115.31 120.14 3ml8 h LEU 574 Ca 0.12 -0.40 0.16 0.00 0.13 0.00 0.00 57.88 57.88 3ml8 h LEU 574 Cb 0.50 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 40.58 3ml8 h LEU 574 CO -0.00 0.38 0.48 -0.07 -0.13 0.00 0.00 178.44 179.10 3ml8 h LEU 575 N -0.74 0.59 0.01 2.25 -0.00 -0.23 -2.24 115.31 114.95 3ml8 h LEU 575 Ca -0.02 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 3ml8 h LEU 575 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 3ml8 h LEU 575 CO 0.03 0.24 -0.00 -0.25 -0.00 0.00 0.00 178.44 178.46 3ml8 h TRP 576 N 0.66 -0.01 -0.64 1.13 2.91 -0.82 -1.58 115.95 117.61 3ml8 h TRP 576 Ca 0.49 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.54 3ml8 h TRP 576 Cb 0.70 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.32 3ml8 h TRP 576 CO -0.07 0.66 0.40 1.25 -1.03 0.00 0.00 178.44 179.65 3ml8 h HIS 577 N -0.70 0.75 -0.72 2.65 2.76 -1.24 -0.18 115.15 118.47 3ml8 h HIS 577 Ca -0.00 0.02 -0.48 0.00 -2.20 0.00 0.00 60.37 57.71 3ml8 h HIS 577 Cb 0.68 -0.24 -0.21 0.00 1.55 0.00 0.00 27.41 29.18 3ml8 h HIS 577 CO 0.16 0.43 0.62 1.19 -1.30 0.00 0.00 177.93 179.03 3ml8 n PHE 578 N -4.70 2.31 -0.22 5.26 0.99 -0.85 -4.64 117.46 115.61 3ml8 n PHE 578 Ca 0.06 -2.37 -0.08 0.00 -0.00 0.00 0.00 57.45 55.06 3ml8 n PHE 578 Cb 0.08 -1.15 0.03 0.00 -1.00 0.00 0.00 39.48 37.44 3ml8 n PHE 578 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 3ml8 h ARG 579 N 1.63 0.99 0.00 -1.08 0.11 0.03 -1.26 114.38 114.81 3ml8 h ARG 579 Ca 0.44 -0.24 -0.02 0.00 0.10 0.00 0.00 59.98 60.26 3ml8 h ARG 579 Cb 1.00 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.94 3ml8 h ARG 579 CO 1.12 0.90 -0.09 1.88 0.10 0.00 0.00 179.97 183.87 3ml8 h TYR 580 N 0.90 0.00 0.00 4.08 -1.99 -1.83 0.59 116.97 118.73 3ml8 h TYR 580 Ca 0.19 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.88 3ml8 h TYR 580 Cb 0.36 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 3ml8 h TYR 580 CO 0.03 0.09 -0.21 1.49 -0.00 0.00 0.00 178.16 179.56 3ml8 h GLU 581 N 0.00 0.00 0.00 4.88 4.57 -1.85 -3.26 114.58 118.92 3ml8 h GLU 581 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3ml8 h GLU 581 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3ml8 h GLU 581 CO 0.01 0.21 -0.65 0.77 -1.18 0.00 0.00 179.01 178.17 3ml8 h SER 582 N 0.00 0.00 0.86 1.04 0.02 0.12 -3.24 113.55 112.35 3ml8 h SER 582 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ml8 h SER 582 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 3ml8 h SER 582 CO 0.03 0.34 0.00 0.25 -1.14 0.00 0.00 176.83 176.31 3ml8 h LEU 583 N 0.00 0.00 -0.35 5.07 5.85 -0.78 -2.86 115.31 122.24 3ml8 h LEU 583 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3ml8 h LEU 583 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3ml8 h LEU 583 CO 0.04 0.00 0.00 0.11 -0.34 0.00 0.00 178.44 178.25 3ml8 h LYS 584 N 0.00 0.00 -4.75 1.25 1.57 -1.71 -3.42 116.57 109.51 3ml8 h LYS 584 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3ml8 h LYS 584 Cb 0.43 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.40 3ml8 h LYS 584 CO 0.00 0.00 -0.70 -1.01 -0.57 0.00 0.00 179.45 177.17 3ml8 s HIS 585 N -3.22 3.31 0.27 -1.35 3.76 -1.08 -4.93 115.29 112.05 3ml8 s HIS 585 Ca 0.07 -1.99 -0.03 0.00 -0.15 0.00 0.00 55.06 52.96 3ml8 s HIS 585 Cb 0.11 -2.21 0.38 0.00 1.11 0.00 0.00 32.58 31.96 3ml8 s HIS 585 CO 0.51 -0.83 1.91 -1.35 -0.85 0.00 0.00 174.74 174.13 3ml8 h PRO 586 N 7.97 1.19 0.00 8.40 0.11 -1.83 0.34 132.00 148.17 3ml8 h PRO 586 Ca -0.20 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ml8 h PRO 586 Cb 1.06 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3ml8 h PRO 586 CO 0.54 0.78 0.61 0.87 -0.21 0.00 0.00 178.00 180.59 3ml8 h LYS 587 N 1.22 0.00 0.00 1.05 1.57 -1.93 0.22 116.57 118.71 3ml8 h LYS 587 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3ml8 h LYS 587 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3ml8 h LYS 587 CO -0.13 0.00 -0.78 0.00 -0.57 0.00 0.00 179.45 177.97 3ml8 n ALA 588 N -1.69 3.66 -0.25 3.86 0.00 0.12 -4.46 120.51 121.75 3ml8 n ALA 588 Ca -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 3ml8 n ALA 588 Cb 0.63 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 19.12 3ml8 n ALA 588 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3ml8 h TYR 589 N 0.00 0.99 -0.59 0.00 -1.99 -0.59 0.32 116.97 115.12 3ml8 h TYR 589 Ca 0.00 -0.04 0.01 0.00 2.00 0.00 0.00 58.73 60.70 3ml8 h TYR 589 Cb 0.60 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 3ml8 h TYR 589 CO 0.00 0.73 0.38 -1.35 -0.00 0.00 0.00 178.16 177.92 3ml8 h PRO 590 N 0.97 0.74 0.01 4.88 0.11 -1.78 -0.61 132.00 136.31 3ml8 h PRO 590 Ca 0.24 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.11 3ml8 h PRO 590 Cb 0.10 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3ml8 h PRO 590 CO -0.03 0.49 -0.88 0.87 -0.21 0.00 0.00 178.00 178.23 3ml8 h LYS 591 N 0.76 0.16 -0.11 1.05 1.57 -1.65 -2.78 116.57 115.57 3ml8 h LYS 591 Ca 0.22 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3ml8 h LYS 591 Cb -0.05 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3ml8 h LYS 591 CO -0.07 0.94 -0.38 1.25 -0.57 0.00 0.00 179.45 180.62 3ml8 h LEU 592 N 0.08 0.53 0.00 2.94 5.85 -0.25 -2.88 115.31 121.59 3ml8 h LEU 592 Ca -0.04 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3ml8 h LEU 592 Cb 1.52 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3ml8 h LEU 592 CO 0.13 1.05 0.00 0.49 -0.34 0.00 0.00 178.44 179.77 3ml8 n PHE 593 N -4.33 0.00 1.10 1.25 3.01 -0.25 -1.71 117.46 116.53 3ml8 n PHE 593 Ca -0.07 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.50 3ml8 n PHE 593 Cb 0.53 -0.27 0.15 0.00 -0.01 0.00 0.00 39.48 39.88 3ml8 n PHE 593 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3ml8 n SER 594 N -1.27 2.09 -0.65 4.37 7.64 -1.05 -3.95 113.62 120.81 3ml8 n SER 594 Ca 0.13 -1.56 0.13 0.00 1.01 0.00 0.00 58.87 58.58 3ml8 n SER 594 Cb 0.20 0.23 0.38 0.00 -1.01 0.00 0.00 64.21 64.01 3ml8 n SER 594 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3ml8 n SER 595 N 0.30 2.00 -4.72 6.43 7.64 -0.69 -4.92 113.62 119.66 3ml8 n SER 595 Ca 0.12 -1.68 -0.41 0.00 1.01 0.00 0.00 58.87 57.91 3ml8 n SER 595 Cb 0.48 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 3ml8 n SER 595 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ml8 s VAL 596 N -1.94 4.78 -0.69 0.44 1.01 -1.24 -4.86 120.40 117.91 3ml8 s VAL 596 Ca 0.35 1.85 -0.27 0.00 0.00 0.00 0.00 61.98 63.90 3ml8 s VAL 596 Cb 0.20 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3ml8 s VAL 596 CO 0.32 0.26 1.23 -0.54 0.00 0.00 0.00 175.10 176.37 3ml8 s LYS 597 N 0.48 3.28 0.17 2.72 1.02 -1.26 -4.85 119.74 121.30 3ml8 s LYS 597 Ca 0.45 -0.14 0.26 0.00 0.02 0.00 0.00 55.97 56.56 3ml8 s LYS 597 Cb -0.21 -4.13 0.90 0.00 -0.52 0.00 0.00 37.83 33.87 3ml8 s LYS 597 CO 0.25 -1.99 1.79 0.91 -0.92 0.00 0.00 175.35 175.40 3ml8 n TRP 598 N 8.99 0.74 1.91 3.18 7.02 -1.26 -2.62 117.44 135.39 3ml8 n TRP 598 Ca 0.04 0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.74 3ml8 n TRP 598 Cb 0.49 -0.86 0.00 0.00 -2.42 0.00 0.00 31.31 28.52 3ml8 n TRP 598 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ml8 n GLY 599 N 1.18 -0.95 2.84 6.99 0.00 -1.26 -4.32 105.19 109.67 3ml8 n GLY 599 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3ml8 n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ml8 s GLN 600 N -2.00 1.09 0.04 1.61 -0.21 -1.08 -4.71 119.66 114.41 3ml8 s GLN 600 Ca 0.00 -1.05 -0.08 0.00 0.02 0.00 0.00 55.36 54.25 3ml8 s GLN 600 Cb 0.00 -2.37 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 3ml8 s GLN 600 CO 0.00 -0.80 0.54 0.94 -2.12 0.00 0.00 175.29 173.85 3ml8 n GLN 601 N 4.74 -0.12 -0.33 2.91 -0.06 -1.26 -0.92 117.38 122.34 3ml8 n GLN 601 Ca -0.05 0.53 -0.04 0.00 -2.00 0.00 0.00 57.00 55.44 3ml8 n GLN 601 Cb 0.43 -0.79 0.09 0.00 -4.06 0.00 0.00 30.24 25.92 3ml8 n GLN 601 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3ml8 h GLU 602 N 0.00 1.25 -0.08 3.69 4.81 -1.95 -1.72 114.58 120.58 3ml8 h GLU 602 Ca 0.04 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ml8 h GLU 602 Cb 0.11 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 3ml8 h GLU 602 CO -0.25 0.92 0.04 0.82 -0.73 0.00 0.00 179.01 179.81 3ml8 h ILE 603 N 1.25 1.09 -0.80 2.32 1.08 -1.33 -1.03 117.51 120.09 3ml8 h ILE 603 Ca 0.31 -0.25 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 3ml8 h ILE 603 Cb 0.04 1.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 3ml8 h ILE 603 CO -0.05 0.08 0.49 0.58 -0.69 0.00 0.00 178.15 178.56 3ml8 h VAL 604 N 0.03 1.05 -0.80 1.67 2.07 -1.09 0.39 116.25 119.57 3ml8 h VAL 604 Ca 0.03 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3ml8 h VAL 604 Cb 0.08 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 3ml8 h VAL 604 CO -0.00 0.17 0.52 0.00 0.02 0.00 0.00 177.57 178.28 3ml8 h ALA 605 N 1.37 1.64 -0.06 1.67 0.00 -0.92 0.43 119.26 123.39 3ml8 h ALA 605 Ca 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3ml8 h ALA 605 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ml8 h ALA 605 CO -0.16 0.23 -0.23 0.87 0.00 0.00 0.00 179.25 179.95 3ml8 h LYS 606 N 0.85 0.26 -0.37 0.00 1.57 0.28 -2.30 116.57 116.86 3ml8 h LYS 606 Ca 0.35 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3ml8 h LYS 606 Cb 0.27 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 3ml8 h LYS 606 CO -0.13 0.84 -0.09 1.15 -0.57 0.00 0.00 179.45 180.66 3ml8 h THR 607 N -0.26 0.63 -0.03 -0.16 2.02 0.30 0.45 112.91 115.87 3ml8 h THR 607 Ca -0.01 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3ml8 h THR 607 Cb 0.88 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3ml8 h THR 607 CO 0.05 0.00 0.02 1.88 0.37 0.00 0.00 175.52 177.84 3ml8 h TYR 608 N 0.00 0.00 0.00 3.16 0.99 -0.10 0.68 116.97 121.70 3ml8 h TYR 608 Ca 0.18 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.82 3ml8 h TYR 608 Cb 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.99 3ml8 h TYR 608 CO -0.33 0.00 -0.43 1.96 -0.00 0.00 0.00 178.16 179.36 3ml8 h GLN 609 N 0.00 0.00 -0.70 4.88 4.20 -0.54 -2.99 115.11 119.96 3ml8 h GLN 609 Ca 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3ml8 h GLN 609 Cb 0.05 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3ml8 h GLN 609 CO -0.00 0.43 0.27 1.25 -0.67 0.00 0.00 178.83 180.11 3ml8 h LEU 610 N 0.00 0.96 -0.91 1.46 6.46 0.24 -2.68 115.31 120.84 3ml8 h LEU 610 Ca -0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3ml8 h LEU 610 Cb 0.78 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 3ml8 h LEU 610 CO 0.06 0.86 0.00 -0.07 -0.62 0.00 0.00 178.44 178.66 3ml8 h LEU 611 N 1.02 0.00 -0.12 2.25 3.38 -1.17 -2.64 115.31 118.02 3ml8 h LEU 611 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ml8 h LEU 611 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ml8 h LEU 611 CO -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.50 3ml8 n ALA 612 N -2.01 2.65 -1.34 1.53 0.00 -1.01 -2.88 120.51 117.46 3ml8 n ALA 612 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.27 3ml8 n ALA 612 Cb 0.35 -1.46 0.20 0.00 0.00 0.00 0.00 19.45 18.54 3ml8 n ALA 612 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ml8 n ARG 613 N -0.92 1.85 0.00 0.00 5.12 -0.99 -4.85 116.66 116.86 3ml8 n ARG 613 Ca 0.21 -3.04 0.00 0.00 -1.93 0.00 0.00 57.85 53.09 3ml8 n ARG 613 Cb 0.17 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.77 3ml8 n ARG 613 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3ml8 n ARG 614 N -1.08 0.52 0.05 5.56 0.63 -1.14 -4.28 116.66 116.91 3ml8 n ARG 614 Ca 0.24 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 57.19 3ml8 n ARG 614 Cb 0.84 -1.19 0.37 0.00 0.45 0.00 0.00 32.46 32.93 3ml8 n ARG 614 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3ml8 h GLU 615 N 0.35 0.41 0.04 -0.14 4.11 -1.89 0.18 114.58 117.64 3ml8 h GLU 615 Ca 0.00 -0.07 -0.24 0.00 0.07 0.00 0.00 59.36 59.12 3ml8 h GLU 615 Cb 0.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ml8 h GLU 615 CO 0.00 0.43 -1.02 0.28 0.07 0.00 0.00 179.01 178.77 3ml8 h VAL 616 N 0.40 1.44 -0.11 -1.06 2.07 -1.86 -1.76 116.25 115.37 3ml8 h VAL 616 Ca 0.09 -2.63 0.02 0.00 0.82 0.00 0.00 66.70 65.00 3ml8 h VAL 616 Cb 0.26 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3ml8 h VAL 616 CO 0.01 0.78 -0.02 -0.25 0.02 0.00 0.00 177.57 178.10 3ml8 h TRP 617 N 0.17 -0.05 -0.62 1.57 2.91 -1.69 -3.02 115.95 115.23 3ml8 h TRP 617 Ca -0.09 0.01 0.02 0.00 1.13 0.00 0.00 58.89 59.96 3ml8 h TRP 617 Cb 1.68 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 30.34 3ml8 h TRP 617 CO 0.06 -0.04 0.41 -0.44 -1.03 0.00 0.00 178.44 177.40 3ml8 h ASP 618 N 0.01 0.66 0.97 2.65 3.32 -0.67 -2.98 116.42 120.38 3ml8 h ASP 618 Ca 0.05 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 3ml8 h ASP 618 Cb 0.08 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3ml8 h ASP 618 CO -0.11 0.46 -1.09 1.56 -1.72 0.00 0.00 179.24 178.34 3ml8 h GLN 619 N 0.77 0.00 -7.14 3.56 4.20 -1.31 -3.48 115.11 111.71 3ml8 h GLN 619 Ca 0.24 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.43 3ml8 h GLN 619 Cb 0.03 0.00 0.11 0.00 0.30 0.00 0.00 27.48 27.92 3ml8 h GLN 619 CO -0.06 0.65 0.42 -1.54 -0.67 0.00 0.00 178.83 177.63 3ml8 s SER 620 N -6.36 5.06 0.51 1.46 1.04 -1.13 -4.95 113.70 109.34 3ml8 s SER 620 Ca -0.00 2.25 -0.21 0.00 0.48 0.00 0.00 55.95 58.47 3ml8 s SER 620 Cb 0.09 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 3ml8 s SER 620 CO 0.80 -1.67 0.90 0.00 0.98 0.00 0.00 173.24 174.25 3ml8 n ALA 621 N -1.98 -0.07 -2.02 5.32 0.00 -1.26 -4.89 120.51 115.62 3ml8 n ALA 621 Ca 0.12 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 3ml8 n ALA 621 Cb 0.51 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 3ml8 n ALA 621 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ml8 s LEU 622 N -0.81 4.41 -0.34 0.00 2.96 -1.26 -4.99 118.68 118.65 3ml8 s LEU 622 Ca 0.69 2.41 -0.01 0.00 -0.22 0.00 0.00 54.13 57.00 3ml8 s LEU 622 Cb -0.49 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 42.71 3ml8 s LEU 622 CO 0.53 -0.56 0.14 -0.62 -1.32 0.00 0.00 176.35 174.52 3ml8 s ASP 623 N 0.45 3.74 0.29 3.68 -1.08 -1.26 -5.03 116.67 117.47 3ml8 s ASP 623 Ca 0.58 -1.83 0.06 0.00 -0.52 0.00 0.00 52.55 50.84 3ml8 s ASP 623 Cb -0.37 -0.75 0.46 0.00 -1.46 0.00 0.00 42.92 40.80 3ml8 s ASP 623 CO 0.37 -0.38 1.70 0.58 0.52 0.00 0.00 175.17 177.97 3ml8 h VAL 624 N 6.05 1.31 -0.67 1.11 2.07 -1.97 0.80 116.25 124.95 3ml8 h VAL 624 Ca -0.10 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 65.93 3ml8 h VAL 624 Cb 0.99 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 3ml8 h VAL 624 CO 0.44 0.45 0.42 1.23 0.02 0.00 0.00 177.57 180.14 3ml8 h GLY 625 N 1.22 0.96 1.09 2.17 0.00 -1.91 0.25 103.07 106.84 3ml8 h GLY 625 Ca 0.02 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3ml8 h GLY 625 CO 0.06 0.28 -0.13 -2.00 0.00 0.00 0.00 176.54 174.76 3ml8 h LEU 626 N 0.84 1.02 -1.02 3.11 6.46 -1.64 -2.68 115.31 121.39 3ml8 h LEU 626 Ca 0.27 -0.36 -0.10 0.00 -0.12 0.00 0.00 57.88 57.56 3ml8 h LEU 626 Cb -0.01 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 3ml8 h LEU 626 CO -0.10 1.15 -0.47 0.74 -0.62 0.00 0.00 178.44 179.14 3ml8 h THR 627 N 0.88 1.29 -0.01 1.05 2.02 -0.35 -2.86 112.91 114.92 3ml8 h THR 627 Ca 0.13 -1.66 -0.17 0.00 0.77 0.00 0.00 66.41 65.48 3ml8 h THR 627 Cb 0.70 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3ml8 h THR 627 CO 0.05 0.47 -0.78 0.24 0.37 0.00 0.00 175.52 175.87 3ml8 h MET 628 N 0.00 0.14 0.00 6.66 2.86 -0.31 -3.27 114.93 121.01 3ml8 h MET 628 Ca -0.00 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 3ml8 h MET 628 Cb 0.87 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3ml8 h MET 628 CO 0.06 0.85 -0.29 1.96 1.06 0.00 0.00 176.91 180.56 3ml8 h GLN 629 N 0.09 0.00 -0.00 1.72 4.20 -1.24 -0.99 115.11 118.88 3ml8 h GLN 629 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3ml8 h GLN 629 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 3ml8 h GLN 629 CO 0.11 0.29 -0.07 1.28 -0.67 0.00 0.00 178.83 179.77 3ml8 n LEU 630 N -3.92 0.36 -0.78 1.46 4.77 -1.23 -3.37 117.00 114.29 3ml8 n LEU 630 Ca -0.02 0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.10 3ml8 n LEU 630 Cb 0.36 -0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 3ml8 n LEU 630 CO 0.36 0.07 0.56 0.18 -1.33 0.00 0.00 177.39 177.23 3ml8 n LEU 631 N -0.98 2.63 0.00 2.23 4.77 -0.39 -4.44 117.00 120.83 3ml8 n LEU 631 Ca 0.16 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3ml8 n LEU 631 Cb 0.25 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3ml8 n LEU 631 CO 0.23 0.46 0.00 -0.90 -1.33 0.00 0.00 177.39 175.84 3ml8 n ASP 632 N 1.09 0.00 -0.02 -1.43 5.68 -1.18 -4.80 116.55 115.90 3ml8 n ASP 632 Ca 0.11 -0.02 0.14 0.00 -0.50 0.00 0.00 54.79 54.52 3ml8 n ASP 632 Cb 0.49 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.29 3ml8 n ASP 632 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ml8 n ASN 634 N -0.90 0.60 -4.07 0.00 4.13 -1.26 -4.07 115.26 109.70 3ml8 n ASN 634 Ca 0.21 -0.12 -0.29 0.00 1.68 0.00 0.00 54.58 56.06 3ml8 n ASN 634 Cb 0.11 0.82 -0.17 0.00 -1.54 0.00 0.00 39.78 39.01 3ml8 n ASN 634 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ml8 s PHE 635 N -3.24 2.06 0.00 3.10 0.40 -1.23 -4.69 117.98 114.37 3ml8 s PHE 635 Ca 0.02 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 3ml8 s PHE 635 Cb 0.14 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.19 3ml8 s PHE 635 CO 0.81 -0.50 0.45 0.45 0.70 0.00 0.00 175.22 177.12 3ml8 n SER 636 N 4.23 0.81 -4.50 1.36 2.88 -1.26 -4.80 113.62 112.34 3ml8 n SER 636 Ca -0.19 -1.16 -0.38 0.00 -1.33 0.00 0.00 58.87 55.81 3ml8 n SER 636 Cb 0.51 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.86 3ml8 n SER 636 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3ml8 s ASP 637 N -0.16 5.70 0.52 -3.46 -1.08 -1.26 -4.66 116.67 112.27 3ml8 s ASP 637 Ca 0.00 -0.29 0.31 0.00 -0.52 0.00 0.00 52.55 52.05 3ml8 s ASP 637 Cb 0.00 -2.05 1.36 0.00 -1.46 0.00 0.00 42.92 40.77 3ml8 s ASP 637 CO 0.00 -0.13 2.00 1.05 0.52 0.00 0.00 175.17 178.61 3ml8 h GLU 638 N 8.36 0.00 0.38 4.34 4.11 -1.93 -1.90 114.58 127.94 3ml8 h GLU 638 Ca -0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.07 3ml8 h GLU 638 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3ml8 h GLU 638 CO 0.59 0.09 -0.18 -0.91 0.07 0.00 0.00 179.01 178.67 3ml8 h ASN 639 N 0.00 -0.43 0.21 3.06 2.35 -1.98 0.29 115.58 119.07 3ml8 h ASN 639 Ca -0.00 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3ml8 h ASN 639 Cb 0.49 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 3ml8 h ASN 639 CO 0.01 -0.14 -0.43 0.58 -1.65 0.00 0.00 177.43 175.80 3ml8 h VAL 640 N -0.72 0.14 -0.55 2.81 2.07 -1.84 -2.27 116.25 115.89 3ml8 h VAL 640 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 3ml8 h VAL 640 Cb 0.50 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 3ml8 h VAL 640 CO 0.09 0.00 0.09 0.03 0.02 0.00 0.00 177.57 177.79 3ml8 h ARG 641 N -0.72 0.21 -0.51 1.57 3.08 -1.37 -0.59 114.38 116.04 3ml8 h ARG 641 Ca 0.00 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.18 3ml8 h ARG 641 Cb 0.71 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3ml8 h ARG 641 CO -0.19 0.14 0.36 0.00 -1.07 0.00 0.00 179.97 179.21 3ml8 h ALA 642 N 1.45 2.44 0.00 0.04 0.00 0.16 0.80 119.26 124.15 3ml8 h ALA 642 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ml8 h ALA 642 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ml8 h ALA 642 CO -0.39 -0.58 0.00 -0.84 0.00 0.00 0.00 179.25 177.44 3ml8 h ILE 643 N 0.03 0.00 -0.08 0.00 3.07 -0.82 0.50 117.51 120.21 3ml8 h ILE 643 Ca 0.24 -0.79 -0.05 0.00 1.55 0.00 0.00 64.86 65.81 3ml8 h ILE 643 Cb 0.93 1.78 0.00 0.00 -0.27 0.00 0.00 36.82 39.26 3ml8 h ILE 643 CO -0.01 0.00 -0.16 0.00 -1.05 0.00 0.00 178.15 176.93 3ml8 h ALA 644 N 2.04 0.13 0.00 0.16 0.00 -0.83 -2.81 119.26 117.95 3ml8 h ALA 644 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ml8 h ALA 644 Cb 0.81 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ml8 h ALA 644 CO 0.00 0.04 -0.05 0.28 0.00 0.00 0.00 179.25 179.52 3ml8 h VAL 645 N -0.21 0.89 -0.29 0.00 2.07 -1.06 0.41 116.25 118.06 3ml8 h VAL 645 Ca 0.00 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3ml8 h VAL 645 Cb 0.74 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3ml8 h VAL 645 CO 0.04 0.05 -0.21 -0.61 0.02 0.00 0.00 177.57 176.86 3ml8 h GLN 646 N 0.00 0.53 0.00 1.57 4.15 -0.88 -2.84 115.11 117.64 3ml8 h GLN 646 Ca -0.00 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 3ml8 h GLN 646 Cb 0.10 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3ml8 h GLN 646 CO 0.01 0.71 -0.18 -0.22 -1.93 0.00 0.00 178.83 177.22 3ml8 h LYS 647 N 0.47 0.00 0.00 1.69 1.63 0.04 -3.09 116.57 117.33 3ml8 h LYS 647 Ca 0.07 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.69 3ml8 h LYS 647 Cb 0.63 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 3ml8 h LYS 647 CO 0.04 0.18 -0.84 -0.07 -3.45 0.00 0.00 179.45 175.31 3ml8 h LEU 648 N 0.00 0.06 -1.55 5.20 3.38 -1.12 -3.30 115.31 117.99 3ml8 h LEU 648 Ca -0.00 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.07 3ml8 h LEU 648 Cb 1.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3ml8 h LEU 648 CO 0.02 0.88 0.73 -0.33 0.09 0.00 0.00 178.44 179.82 3ml8 h GLU 649 N 0.03 0.00 -0.53 1.13 4.39 -1.41 0.15 114.58 118.34 3ml8 h GLU 649 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3ml8 h GLU 649 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3ml8 h GLU 649 CO 0.11 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.83 3ml8 n SER 650 N -3.38 5.12 -4.73 1.42 3.41 -1.24 -4.88 113.62 109.33 3ml8 n SER 650 Ca 0.11 -2.82 -0.41 0.00 -0.26 0.00 0.00 58.87 55.50 3ml8 n SER 650 Cb 0.92 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 3ml8 n SER 650 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ml8 s LEU 651 N -2.53 4.45 0.53 1.04 1.43 0.53 -5.04 118.68 119.09 3ml8 s LEU 651 Ca 0.51 1.62 -0.21 0.00 -1.03 0.00 0.00 54.13 55.02 3ml8 s LEU 651 Cb 0.38 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 3ml8 s LEU 651 CO 0.17 -0.07 1.18 -1.83 0.23 0.00 0.00 176.35 176.03 3ml8 s GLU 652 N 0.18 3.38 0.35 1.70 -1.05 -1.26 -4.80 118.70 117.20 3ml8 s GLU 652 Ca 0.44 1.78 0.22 0.00 -0.15 0.00 0.00 54.97 57.26 3ml8 s GLU 652 Cb -0.22 -2.15 1.25 0.00 -0.44 0.00 0.00 34.13 32.58 3ml8 s GLU 652 CO 0.26 -0.86 1.41 -0.25 0.95 0.00 0.00 175.26 176.78 3ml8 n ASP 653 N -1.06 0.27 -0.26 0.83 9.92 -1.26 0.34 116.55 125.33 3ml8 n ASP 653 Ca 0.10 1.41 0.04 0.00 -0.53 0.00 0.00 54.79 55.82 3ml8 n ASP 653 Cb 0.49 -0.69 0.17 0.00 -0.64 0.00 0.00 41.12 40.45 3ml8 n ASP 653 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 3ml8 h ASP 654 N 0.00 0.39 0.76 -2.24 3.58 -1.91 -2.81 116.42 114.20 3ml8 h ASP 654 Ca 0.77 0.09 -0.25 0.00 0.42 0.00 0.00 57.03 58.06 3ml8 h ASP 654 Cb 2.19 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 43.25 3ml8 h ASP 654 CO -0.61 0.18 -1.25 0.44 -2.88 0.00 0.00 179.24 175.13 3ml8 h ASP 655 N 0.53 0.12 -0.57 2.28 3.32 -0.47 -3.09 116.42 118.55 3ml8 h ASP 655 Ca 0.40 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.36 3ml8 h ASP 655 Cb 0.53 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.99 3ml8 h ASP 655 CO -0.34 1.12 0.27 0.58 -1.72 0.00 0.00 179.24 179.15 3ml8 h VAL 656 N 0.02 0.89 -0.85 -1.35 2.07 -1.36 -1.09 116.25 114.57 3ml8 h VAL 656 Ca -0.12 -0.17 0.13 0.00 0.82 0.00 0.00 66.70 67.36 3ml8 h VAL 656 Cb 1.88 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3ml8 h VAL 656 CO 0.14 0.09 0.55 -0.07 0.02 0.00 0.00 177.57 178.30 3ml8 h LEU 657 N 0.50 0.63 -0.94 2.57 3.38 -1.44 0.46 115.31 120.47 3ml8 h LEU 657 Ca 0.27 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 3ml8 h LEU 657 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3ml8 h LEU 657 CO -0.21 0.33 -0.27 0.45 0.09 0.00 0.00 178.44 178.83 3ml8 h HIS 658 N 0.67 0.51 -0.25 1.13 3.86 -1.14 -3.31 115.15 116.62 3ml8 h HIS 658 Ca 0.42 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 3ml8 h HIS 658 Cb 0.67 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3ml8 h HIS 658 CO -0.00 0.68 0.00 0.66 0.86 0.00 0.00 177.93 180.13 3ml8 n TYR 659 N -4.11 0.33 -0.08 2.45 4.02 -0.50 -4.70 117.16 114.57 3ml8 n TYR 659 Ca -0.01 -0.42 -0.12 0.00 -0.01 0.00 0.00 57.90 57.35 3ml8 n TYR 659 Cb 0.41 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 3ml8 n TYR 659 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3ml8 h LEU 660 N 1.74 0.40 -0.75 7.72 5.85 -0.23 0.10 115.31 130.15 3ml8 h LEU 660 Ca 0.00 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.42 3ml8 h LEU 660 Cb 0.65 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3ml8 h LEU 660 CO 0.00 0.64 0.48 0.25 -0.34 0.00 0.00 178.44 179.46 3ml8 h LEU 661 N 0.16 0.80 0.00 2.25 5.85 -1.84 -0.22 115.31 122.31 3ml8 h LEU 661 Ca 0.06 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 3ml8 h LEU 661 Cb 0.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3ml8 h LEU 661 CO 0.02 0.56 -0.76 1.56 -0.34 0.00 0.00 178.44 179.47 3ml8 h GLN 662 N 0.94 0.00 -0.21 1.25 4.20 -1.85 -1.73 115.11 117.72 3ml8 h GLN 662 Ca 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3ml8 h GLN 662 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3ml8 h GLN 662 CO -0.10 0.47 0.07 -0.07 -0.67 0.00 0.00 178.83 178.53 3ml8 h LEU 663 N 0.00 0.29 -0.82 1.46 3.38 -0.53 0.25 115.31 119.34 3ml8 h LEU 663 Ca -0.04 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.83 3ml8 h LEU 663 Cb 1.45 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 3ml8 h LEU 663 CO 0.06 0.40 0.47 0.58 0.09 0.00 0.00 178.44 180.05 3ml8 h VAL 664 N 0.17 0.92 -0.01 1.22 2.07 -1.07 -0.10 116.25 119.46 3ml8 h VAL 664 Ca 0.07 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 3ml8 h VAL 664 Cb 0.21 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3ml8 h VAL 664 CO -0.00 0.15 -0.35 1.56 0.02 0.00 0.00 177.57 178.95 3ml8 h GLN 665 N 0.80 0.01 0.00 1.57 1.08 -1.01 -2.64 115.11 114.93 3ml8 h GLN 665 Ca 0.39 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.59 3ml8 h GLN 665 Cb 0.35 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3ml8 h GLN 665 CO -0.24 0.36 -0.01 0.00 -0.95 0.00 0.00 178.83 177.99 3ml8 h ALA 666 N 1.64 1.05 -0.19 3.87 0.00 0.14 -1.90 119.26 123.87 3ml8 h ALA 666 Ca -0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ml8 h ALA 666 Cb 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3ml8 h ALA 666 CO 0.05 0.01 0.16 0.28 0.00 0.00 0.00 179.25 179.75 3ml8 h VAL 667 N 0.00 0.67 0.00 0.00 2.07 -1.14 -2.08 116.25 115.76 3ml8 h VAL 667 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3ml8 h VAL 667 Cb 0.10 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3ml8 h VAL 667 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 3ml8 n LYS 668 N -4.11 0.03 -0.01 1.57 5.02 -0.72 -2.42 118.16 117.53 3ml8 n LYS 668 Ca 0.02 0.32 0.10 0.00 -2.02 0.00 0.00 58.31 56.73 3ml8 n LYS 668 Cb 0.29 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 3ml8 n LYS 668 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3ml8 n PHE 669 N -1.61 0.00 -1.71 2.13 0.99 -0.78 -4.90 117.46 111.59 3ml8 n PHE 669 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.06 3ml8 n PHE 669 Cb 0.15 -0.34 -0.03 0.00 -1.00 0.00 0.00 39.48 38.26 3ml8 n PHE 669 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3ml8 n GLU 670 N -2.00 2.80 0.06 -1.08 -0.58 -1.01 -4.90 120.64 113.92 3ml8 n GLU 670 Ca -0.02 1.01 -0.03 0.00 -0.42 0.00 0.00 57.16 57.71 3ml8 n GLU 670 Cb 0.47 -2.88 0.22 0.00 -0.57 0.00 0.00 31.44 28.68 3ml8 n GLU 670 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ml8 h PRO 671 N 7.53 0.35 -6.38 3.49 0.11 -1.89 -3.45 132.00 131.77 3ml8 h PRO 671 Ca -0.44 -0.15 -0.63 0.00 0.11 0.00 0.00 66.00 64.89 3ml8 h PRO 671 Cb 1.21 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 3ml8 h PRO 671 CO 0.95 0.65 -0.67 0.71 -0.21 0.00 0.00 178.00 179.43 3ml8 s TYR 672 N -4.33 2.87 0.17 0.65 1.51 -1.26 -4.84 117.35 112.11 3ml8 s TYR 672 Ca -0.06 -0.11 -0.13 0.00 -1.01 0.00 0.00 57.07 55.76 3ml8 s TYR 672 Cb 0.14 -1.43 0.07 0.00 -0.11 0.00 0.00 41.96 40.63 3ml8 s TYR 672 CO 0.78 0.49 1.80 0.45 -1.11 0.00 0.00 175.55 177.96 3ml8 h HIS 673 N 3.03 0.75 -3.21 2.71 3.86 -1.93 -3.40 115.15 116.96 3ml8 h HIS 673 Ca -0.47 -0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.13 3ml8 h HIS 673 Cb 1.19 -0.24 -0.10 0.00 1.06 0.00 0.00 27.41 29.31 3ml8 h HIS 673 CO 0.61 0.53 -0.37 0.34 0.86 0.00 0.00 177.93 179.90 3ml8 s ASP 674 N -5.82 6.40 0.07 2.45 2.15 -1.26 -4.91 116.67 115.75 3ml8 s ASP 674 Ca -0.13 0.46 -0.13 0.00 0.43 0.00 0.00 52.55 53.18 3ml8 s ASP 674 Cb 0.12 -2.15 0.02 0.00 -0.30 0.00 0.00 42.92 40.61 3ml8 s ASP 674 CO 0.76 0.16 0.29 -0.94 -0.17 0.00 0.00 175.17 175.27 3ml8 s SER 675 N 0.21 -0.08 0.39 -0.34 1.04 -1.26 -5.01 113.70 108.65 3ml8 s SER 675 Ca 0.15 -0.34 0.12 0.00 0.48 0.00 0.00 55.95 56.36 3ml8 s SER 675 Cb -0.13 0.38 0.94 0.00 0.10 0.00 0.00 66.02 67.31 3ml8 s SER 675 CO 0.03 -0.69 1.90 0.00 0.98 0.00 0.00 173.24 175.46 3ml8 h ALA 676 N 2.92 1.97 0.17 5.32 0.00 -1.97 0.44 119.26 128.11 3ml8 h ALA 676 Ca -0.33 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 3ml8 h ALA 676 Cb 1.21 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3ml8 h ALA 676 CO 0.49 -0.19 -1.12 1.25 0.00 0.00 0.00 179.25 179.68 3ml8 h LEU 677 N 0.55 0.55 -1.28 0.00 5.85 -1.95 -0.71 115.31 118.31 3ml8 h LEU 677 Ca 0.40 -0.93 0.08 0.00 0.84 0.00 0.00 57.88 58.27 3ml8 h LEU 677 Cb 0.77 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 3ml8 h LEU 677 CO -0.15 1.53 0.53 0.00 -0.34 0.00 0.00 178.44 180.00 3ml8 h ALA 678 N 0.07 1.65 -0.04 1.25 0.00 -1.87 -1.09 119.26 119.24 3ml8 h ALA 678 Ca -0.21 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 3ml8 h ALA 678 Cb 1.80 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3ml8 h ALA 678 CO 0.16 0.20 -0.78 0.00 0.00 0.00 0.00 179.25 178.84 3ml8 h ARG 679 N 0.84 0.33 -0.22 0.00 3.08 -0.86 -2.56 114.38 114.99 3ml8 h ARG 679 Ca 0.36 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 3ml8 h ARG 679 Cb 0.31 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3ml8 h ARG 679 CO -0.13 0.96 -0.35 0.35 -1.07 0.00 0.00 179.97 179.72 3ml8 h PHE 680 N 0.22 0.55 -0.45 3.04 3.57 -0.68 0.20 116.94 123.39 3ml8 h PHE 680 Ca -0.04 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.25 3ml8 h PHE 680 Cb 1.37 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 3ml8 h PHE 680 CO 0.04 0.77 0.01 -0.07 -2.23 0.00 0.00 178.31 176.83 3ml8 h LEU 681 N 0.40 0.77 -0.33 0.59 3.38 -1.14 -1.84 115.31 117.14 3ml8 h LEU 681 Ca 0.04 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.78 3ml8 h LEU 681 Cb 0.81 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 3ml8 h LEU 681 CO 0.07 0.88 -0.16 -0.07 0.09 0.00 0.00 178.44 179.25 3ml8 h LEU 682 N 0.63 -0.54 0.79 1.67 3.38 -1.03 0.34 115.31 120.56 3ml8 h LEU 682 Ca 0.13 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3ml8 h LEU 682 Cb 0.48 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3ml8 h LEU 682 CO 0.02 -0.19 -0.41 0.11 0.09 0.00 0.00 178.44 178.05 3ml8 h LYS 683 N -0.11 -1.07 -0.93 1.13 1.57 -0.40 -1.60 116.57 115.17 3ml8 h LYS 683 Ca 0.17 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 3ml8 h LYS 683 Cb 0.36 0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 3ml8 h LYS 683 CO -0.40 -0.71 0.58 0.00 -0.57 0.00 0.00 179.45 178.35 3ml8 h ARG 684 N -1.11 1.02 -0.76 3.15 2.47 -1.31 0.18 114.38 118.03 3ml8 h ARG 684 Ca -0.11 -0.06 0.15 0.00 -1.26 0.00 0.00 59.98 58.71 3ml8 h ARG 684 Cb 0.86 -0.23 -0.10 0.00 -1.65 0.00 0.00 29.97 28.85 3ml8 h ARG 684 CO 0.16 0.67 0.27 0.78 0.56 0.00 0.00 179.97 182.41 3ml8 h GLY 685 N 1.05 1.14 1.74 0.04 0.00 -0.14 -2.59 103.07 104.29 3ml8 h GLY 685 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3ml8 h GLY 685 CO -0.18 -0.15 -0.23 1.41 0.00 0.00 0.00 176.54 177.39 3ml8 h LEU 686 N 0.38 0.00 0.00 3.11 3.38 0.35 -3.29 115.31 119.24 3ml8 h LEU 686 Ca 0.43 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3ml8 h LEU 686 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ml8 h LEU 686 CO -0.45 0.02 -0.71 -1.14 0.09 0.00 0.00 178.44 176.25 3ml8 n ARG 687 N -2.64 0.11 -3.69 1.13 0.63 -0.70 -4.84 116.66 106.66 3ml8 n ARG 687 Ca 0.04 0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.87 3ml8 n ARG 687 Cb 0.49 -1.55 -0.12 0.00 0.45 0.00 0.00 32.46 31.74 3ml8 n ARG 687 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3ml8 s ASN 688 N -3.38 -0.26 0.37 6.15 3.84 -1.16 -4.87 114.94 115.63 3ml8 s ASN 688 Ca 0.08 0.75 0.15 0.00 0.21 0.00 0.00 52.86 54.05 3ml8 s ASN 688 Cb 0.16 0.74 0.74 0.00 -0.55 0.00 0.00 41.25 42.34 3ml8 s ASN 688 CO 0.75 -0.20 1.81 0.11 -2.79 0.00 0.00 177.10 176.78 3ml8 h LYS 689 N 7.50 0.00 -0.03 0.43 1.57 -1.84 -1.89 116.57 122.31 3ml8 h LYS 689 Ca -0.31 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 3ml8 h LYS 689 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3ml8 h LYS 689 CO 0.27 0.38 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.29 3ml8 h ARG 690 N 0.00 0.15 -0.13 3.15 2.43 -1.91 -0.88 114.38 117.18 3ml8 h ARG 690 Ca -0.00 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3ml8 h ARG 690 Cb 0.71 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3ml8 h ARG 690 CO 0.05 0.78 0.09 0.82 -1.51 0.00 0.00 179.97 180.20 3ml8 h ILE 691 N -0.45 1.01 0.00 1.20 2.04 -1.87 -2.64 117.51 116.81 3ml8 h ILE 691 Ca -0.01 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3ml8 h ILE 691 Cb 0.81 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3ml8 h ILE 691 CO 0.03 0.03 -0.68 1.23 0.00 0.00 0.00 178.15 178.76 3ml8 h GLY 692 N 0.14 0.00 0.60 5.37 0.00 -1.24 0.81 103.07 108.76 3ml8 h GLY 692 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3ml8 h GLY 692 CO -0.01 0.00 -0.11 0.84 0.00 0.00 0.00 176.54 177.26 3ml8 h HIS 693 N 0.00 -0.29 -0.78 5.60 -0.00 -0.92 -1.99 115.15 116.77 3ml8 h HIS 693 Ca -0.04 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 3ml8 h HIS 693 Cb 1.38 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.86 3ml8 h HIS 693 CO 0.00 0.07 0.31 0.74 -0.00 0.00 0.00 177.93 179.05 3ml8 h PHE 694 N -0.72 1.17 -0.73 5.26 -1.00 -1.51 -2.29 116.94 117.12 3ml8 h PHE 694 Ca -0.03 -0.08 0.04 0.00 2.81 0.00 0.00 57.97 60.71 3ml8 h PHE 694 Cb 0.49 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 39.65 3ml8 h PHE 694 CO 0.04 0.88 0.44 1.25 -1.61 0.00 0.00 178.31 179.32 3ml8 h LEU 695 N 1.13 0.71 0.20 1.54 5.85 -0.89 0.21 115.31 124.06 3ml8 h LEU 695 Ca 0.26 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3ml8 h LEU 695 Cb 0.20 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3ml8 h LEU 695 CO -0.02 0.48 -0.50 0.15 -0.34 0.00 0.00 178.44 178.20 3ml8 h PHE 696 N 0.85 -1.44 -0.66 1.25 3.57 -0.80 -1.10 116.94 118.60 3ml8 h PHE 696 Ca 0.30 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 3ml8 h PHE 696 Cb 0.08 0.60 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3ml8 h PHE 696 CO -0.05 -0.59 0.13 -1.49 -2.23 0.00 0.00 178.31 174.08 3ml8 h TRP 697 N -0.78 1.13 0.11 0.41 4.06 -1.15 0.31 115.95 120.04 3ml8 h TRP 697 Ca -0.02 -0.14 0.01 0.00 2.06 0.00 0.00 58.89 60.80 3ml8 h TRP 697 Cb 0.75 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.58 3ml8 h TRP 697 CO -0.40 0.93 -0.16 0.74 -3.56 0.00 0.00 178.44 176.00 3ml8 h PHE 698 N 1.01 -0.41 -0.46 0.49 0.05 -0.91 0.20 116.94 116.91 3ml8 h PHE 698 Ca 0.21 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.99 3ml8 h PHE 698 Cb 0.40 0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.49 3ml8 h PHE 698 CO 0.03 -0.24 0.23 -0.07 -0.18 0.00 0.00 178.31 178.08 3ml8 h LEU 699 N -0.32 0.60 -0.23 1.54 3.38 -0.92 -2.75 115.31 116.61 3ml8 h LEU 699 Ca 0.02 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3ml8 h LEU 699 Cb 0.33 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ml8 h LEU 699 CO -0.07 0.55 0.10 -0.09 0.09 0.00 0.00 178.44 179.01 3ml8 h ARG 700 N 0.60 0.22 -0.74 1.13 2.43 -0.01 -0.87 114.38 117.14 3ml8 h ARG 700 Ca 0.16 -0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.48 3ml8 h ARG 700 Cb 0.10 -0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 29.48 3ml8 h ARG 700 CO -0.02 0.14 0.02 1.03 -1.51 0.00 0.00 179.97 179.63 3ml8 h SER 701 N 0.22 -0.32 -0.13 -3.80 0.87 -0.48 -1.98 113.55 107.94 3ml8 h SER 701 Ca 0.10 0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3ml8 h SER 701 Cb 0.04 0.33 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3ml8 h SER 701 CO -0.08 -0.16 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.68 3ml8 h GLU 702 N 0.11 0.27 -0.81 2.24 4.39 -1.07 -2.90 114.58 116.81 3ml8 h GLU 702 Ca 0.40 -0.11 0.19 0.00 0.34 0.00 0.00 59.36 60.18 3ml8 h GLU 702 Cb 0.70 -0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.21 3ml8 h GLU 702 CO -0.64 0.58 0.19 0.82 -1.16 0.00 0.00 179.01 178.80 3ml8 h ILE 703 N -0.06 0.41 0.00 3.13 2.04 -0.93 -1.22 117.51 120.88 3ml8 h ILE 703 Ca 0.03 -0.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 3ml8 h ILE 703 Cb 0.50 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3ml8 h ILE 703 CO 0.02 0.04 -0.53 0.00 0.00 0.00 0.00 178.15 177.68 3ml8 h ALA 704 N 1.70 0.90 0.00 1.87 0.00 -1.17 -3.35 119.26 119.21 3ml8 h ALA 704 Ca 0.48 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ml8 h ALA 704 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ml8 h ALA 704 CO -0.59 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.20 3ml8 n GLN 705 N -3.58 1.19 -3.59 0.00 10.64 -0.92 -4.65 117.38 116.47 3ml8 n GLN 705 Ca -0.00 -1.61 -0.29 0.00 -1.83 0.00 0.00 57.00 53.26 3ml8 n GLN 705 Cb 0.61 -0.98 -0.14 0.00 -0.86 0.00 0.00 30.24 28.86 3ml8 n GLN 705 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3ml8 s SER 706 N -1.52 3.60 0.02 2.61 0.15 -0.51 -4.93 113.70 113.14 3ml8 s SER 706 Ca 0.12 -1.60 0.26 0.00 0.70 0.00 0.00 55.95 55.42 3ml8 s SER 706 Cb 0.10 -0.54 1.08 0.00 -1.71 0.00 0.00 66.02 64.95 3ml8 s SER 706 CO 0.01 -0.40 1.82 -2.11 1.20 0.00 0.00 173.24 173.76 3ml8 n ARG 707 N 4.86 0.03 0.15 5.44 1.85 -1.26 -0.80 116.66 126.93 3ml8 n ARG 707 Ca -0.01 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 3ml8 n ARG 707 Cb 0.41 -1.53 0.26 0.00 -1.05 0.00 0.00 32.46 30.54 3ml8 n ARG 707 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ml8 h HIS 708 N 0.00 0.03 0.00 2.89 3.86 -1.95 -3.39 115.15 116.60 3ml8 h HIS 708 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3ml8 h HIS 708 Cb 0.47 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.93 3ml8 h HIS 708 CO 0.00 0.51 0.00 0.66 0.86 0.00 0.00 177.93 179.96 3ml8 n TYR 709 N -3.96 0.00 -0.22 2.45 4.02 -0.86 -4.59 117.16 114.00 3ml8 n TYR 709 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3ml8 n TYR 709 Cb 0.51 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.95 3ml8 n TYR 709 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3ml8 h GLN 710 N 0.00 0.47 -0.26 -0.72 3.07 -1.16 -2.11 115.11 114.40 3ml8 h GLN 710 Ca 0.00 -0.03 0.06 0.00 0.09 0.00 0.00 58.65 58.77 3ml8 h GLN 710 Cb 0.08 -0.11 -0.08 0.00 0.08 0.00 0.00 27.48 27.46 3ml8 h GLN 710 CO 0.00 0.31 -0.39 1.96 0.09 0.00 0.00 178.83 180.80 3ml8 h GLN 711 N 0.48 -0.37 -0.44 0.06 4.20 -1.86 0.69 115.11 117.87 3ml8 h GLN 711 Ca 0.32 0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.96 3ml8 h GLN 711 Cb 0.37 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3ml8 h GLN 711 CO -0.29 -0.25 -0.12 -0.09 -0.67 0.00 0.00 178.83 177.41 3ml8 h ARG 712 N -0.39 0.81 -0.13 1.46 2.43 -1.79 -2.13 114.38 114.63 3ml8 h ARG 712 Ca 0.11 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.96 3ml8 h ARG 712 Cb 0.59 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3ml8 h ARG 712 CO -0.47 0.89 -0.11 0.74 -1.51 0.00 0.00 179.97 179.51 3ml8 h PHE 713 N 0.73 0.36 -0.96 2.20 0.05 -0.79 -2.82 116.94 115.71 3ml8 h PHE 713 Ca 0.12 -0.10 0.20 0.00 3.82 0.00 0.00 57.97 62.00 3ml8 h PHE 713 Cb 0.62 -0.08 -0.09 0.00 2.00 0.00 0.00 35.95 38.40 3ml8 h PHE 713 CO 0.03 0.69 0.61 0.00 -0.18 0.00 0.00 178.31 179.46 3ml8 h ALA 714 N 0.62 1.93 -0.07 2.45 0.00 0.64 0.53 119.26 125.35 3ml8 h ALA 714 Ca 0.02 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ml8 h ALA 714 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3ml8 h ALA 714 CO 0.03 -0.26 -0.34 0.28 0.00 0.00 0.00 179.25 178.96 3ml8 h VAL 715 N 0.61 1.27 0.16 0.00 2.07 -1.26 0.54 116.25 119.63 3ml8 h VAL 715 Ca 0.53 -1.28 -0.31 0.00 0.82 0.00 0.00 66.70 66.46 3ml8 h VAL 715 Cb 1.03 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3ml8 h VAL 715 CO -0.28 0.38 -1.45 0.40 0.02 0.00 0.00 177.57 176.64 3ml8 h ILE 716 N 0.12 1.27 0.40 4.57 2.04 0.07 -2.71 117.51 123.27 3ml8 h ILE 716 Ca 0.02 -2.84 -0.02 0.00 1.00 0.00 0.00 64.86 63.02 3ml8 h ILE 716 Cb 0.67 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 3ml8 h ILE 716 CO 0.05 0.85 -0.19 0.25 0.00 0.00 0.00 178.15 179.10 3ml8 h LEU 717 N 0.09 -0.45 -0.65 1.44 6.46 -0.20 -1.60 115.31 120.41 3ml8 h LEU 717 Ca -0.22 -0.06 0.14 0.00 -0.12 0.00 0.00 57.88 57.61 3ml8 h LEU 717 Cb 2.04 0.12 -0.11 0.00 -0.73 0.00 0.00 40.66 41.99 3ml8 h LEU 717 CO 0.20 -0.21 0.06 -0.08 -0.62 0.00 0.00 178.44 177.79 3ml8 h GLU 718 N -0.68 0.16 -0.63 1.25 4.81 -0.96 0.63 114.58 119.17 3ml8 h GLU 718 Ca -0.05 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3ml8 h GLU 718 Cb 0.49 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3ml8 h GLU 718 CO 0.09 0.11 0.42 0.00 -0.73 0.00 0.00 179.01 178.90 3ml8 h ALA 719 N 1.57 1.84 0.06 2.92 0.00 -1.32 -2.19 119.26 122.15 3ml8 h ALA 719 Ca 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3ml8 h ALA 719 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ml8 h ALA 719 CO -0.52 0.04 -0.03 -0.92 0.00 0.00 0.00 179.25 177.82 3ml8 h TYR 720 N 0.58 -0.08 0.00 0.00 3.20 0.12 -3.21 116.97 117.59 3ml8 h TYR 720 Ca 0.28 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3ml8 h TYR 720 Cb 0.36 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 3ml8 h TYR 720 CO -0.00 0.30 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.71 3ml8 h LEU 721 N -0.46 0.00 -0.10 2.82 3.38 -0.72 -1.77 115.31 118.46 3ml8 h LEU 721 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ml8 h LEU 721 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ml8 h LEU 721 CO 0.01 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.12 3ml8 n ARG 722 N -3.99 0.95 -0.23 1.13 1.74 -0.87 -3.72 116.66 111.68 3ml8 n ARG 722 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3ml8 n ARG 722 Cb 0.13 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3ml8 n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ml8 n GLY 723 N 0.41 0.94 0.07 -0.13 0.00 -0.71 -4.82 105.19 100.95 3ml8 n GLY 723 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3ml8 n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml8 n GLY 725 N 1.46 1.34 0.00 0.00 0.00 -1.26 -4.66 105.19 102.06 3ml8 n GLY 725 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3ml8 n GLY 725 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ml8 n THR 726 N 1.59 0.00 0.00 2.61 -2.24 -1.24 -0.27 114.28 114.73 3ml8 n THR 726 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ml8 n THR 726 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3ml8 n THR 726 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ml8 n ALA 727 N 0.00 -0.09 -0.18 6.98 0.00 -0.94 0.16 120.51 126.45 3ml8 n ALA 727 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3ml8 n ALA 727 Cb 0.00 0.32 0.32 0.00 0.00 0.00 0.00 19.45 20.09 3ml8 n ALA 727 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3ml8 h MET 728 N 0.00 0.80 -0.71 0.00 2.07 -0.91 0.10 114.93 116.29 3ml8 h MET 728 Ca 0.00 -0.05 0.11 0.00 -2.07 0.00 0.00 59.70 57.70 3ml8 h MET 728 Cb 0.00 -0.18 -0.05 0.00 -1.87 0.00 0.00 31.60 29.50 3ml8 h MET 728 CO 0.00 0.53 0.47 1.25 1.07 0.00 0.00 176.91 180.23 3ml8 h LEU 729 N 0.82 0.47 0.13 1.22 6.46 -1.09 1.28 115.31 124.60 3ml8 h LEU 729 Ca 0.29 0.02 -0.28 0.00 -0.12 0.00 0.00 57.88 57.78 3ml8 h LEU 729 Cb 0.11 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3ml8 h LEU 729 CO -0.09 0.27 -1.31 -0.74 -0.62 0.00 0.00 178.44 175.95 3ml8 h HIS 730 N 0.51 0.49 0.10 1.25 2.76 0.39 -2.85 115.15 117.80 3ml8 h HIS 730 Ca 0.34 -0.36 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3ml8 h HIS 730 Cb 0.61 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.55 3ml8 h HIS 730 CO -0.00 1.31 -0.05 0.22 -1.30 0.00 0.00 177.93 178.11 3ml8 h ASP 731 N 0.07 -0.11 -0.28 3.26 -0.00 0.11 -1.77 116.42 117.70 3ml8 h ASP 731 Ca -0.16 -0.15 0.08 0.00 -0.00 0.00 0.00 57.03 56.80 3ml8 h ASP 731 Cb 1.99 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 41.33 3ml8 h ASP 731 CO 0.20 0.09 0.24 -0.26 -0.00 0.00 0.00 179.24 179.50 3ml8 h PHE 732 N -0.31 0.00 -0.11 0.28 0.05 0.15 -1.81 116.94 115.18 3ml8 h PHE 732 Ca -0.01 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.61 3ml8 h PHE 732 Cb 0.26 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.22 3ml8 h PHE 732 CO -0.01 0.00 -0.59 1.15 -0.18 0.00 0.00 178.31 178.68 3ml8 h THR 733 N 0.00 1.34 -0.15 -1.55 2.02 -1.15 -1.90 112.91 111.53 3ml8 h THR 733 Ca 0.13 -1.87 0.04 0.00 0.77 0.00 0.00 66.41 65.48 3ml8 h THR 733 Cb 0.61 2.15 -0.04 0.00 -1.74 0.00 0.00 68.15 69.13 3ml8 h THR 733 CO -0.00 0.57 -0.08 1.56 0.37 0.00 0.00 175.52 177.94 3ml8 h GLN 734 N 0.23 -0.07 -0.88 6.66 4.20 -0.55 -2.24 115.11 122.46 3ml8 h GLN 734 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3ml8 h GLN 734 Cb 1.23 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.98 3ml8 h GLN 734 CO 0.12 -0.05 0.54 1.96 -0.67 0.00 0.00 178.83 180.74 3ml8 h GLN 735 N -0.07 1.19 -0.29 1.46 4.20 -1.28 -1.86 115.11 118.46 3ml8 h GLN 735 Ca 0.08 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 3ml8 h GLN 735 Cb 0.19 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3ml8 h GLN 735 CO -0.19 0.83 -0.41 0.28 -0.67 0.00 0.00 178.83 178.67 3ml8 h VAL 736 N 1.21 1.29 0.16 -0.54 2.07 -1.24 -2.02 116.25 117.19 3ml8 h VAL 736 Ca 0.32 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.27 3ml8 h VAL 736 Cb -0.06 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3ml8 h VAL 736 CO -0.06 0.51 -0.24 1.56 0.02 0.00 0.00 177.57 179.36 3ml8 h GLN 737 N 0.58 -0.45 0.37 1.57 4.20 -0.92 -2.37 115.11 118.08 3ml8 h GLN 737 Ca 0.05 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3ml8 h GLN 737 Cb 0.95 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3ml8 h GLN 737 CO 0.09 -0.30 -0.18 0.28 -0.67 0.00 0.00 178.83 178.05 3ml8 h VAL 738 N -0.47 0.65 0.00 -0.54 2.07 -1.32 -2.78 116.25 113.85 3ml8 h VAL 738 Ca 0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ml8 h VAL 738 Cb 0.47 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3ml8 h VAL 738 CO -0.10 0.05 0.00 2.30 0.02 0.00 0.00 177.57 179.83 3ml8 n ILE 739 N -5.25 0.04 -0.02 4.57 -6.64 -0.76 -1.85 119.36 109.44 3ml8 n ILE 739 Ca -0.10 0.01 -0.02 0.00 -1.77 0.00 0.00 62.75 60.87 3ml8 n ILE 739 Cb 0.25 -0.59 -0.13 0.00 -1.44 0.00 0.00 39.64 37.73 3ml8 n ILE 739 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 3ml8 n GLU 740 N -1.06 0.65 0.00 6.28 2.13 -0.89 -3.46 120.64 124.29 3ml8 n GLU 740 Ca 0.18 0.08 -0.12 0.00 0.66 0.00 0.00 57.16 57.97 3ml8 n GLU 740 Cb 0.11 -1.67 -0.09 0.00 0.27 0.00 0.00 31.44 30.06 3ml8 n GLU 740 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 3ml8 h MET 741 N 0.00 -0.09 -0.07 5.31 2.86 -1.10 -3.17 114.93 118.67 3ml8 h MET 741 Ca -0.26 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3ml8 h MET 741 Cb 1.72 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.40 3ml8 h MET 741 CO 0.04 0.47 0.08 -0.07 1.06 0.00 0.00 176.91 178.49 3ml8 h LEU 742 N -0.74 0.00 -0.11 1.22 3.38 -1.61 -0.40 115.31 117.05 3ml8 h LEU 742 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3ml8 h LEU 742 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ml8 h LEU 742 CO 0.02 0.00 -0.23 1.56 0.09 0.00 0.00 178.44 179.87 3ml8 h GLN 743 N 0.00 0.36 -0.19 1.13 4.20 -1.60 -1.04 115.11 117.98 3ml8 h GLN 743 Ca 0.04 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 3ml8 h GLN 743 Cb 0.20 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3ml8 h GLN 743 CO -0.00 0.83 -0.51 -0.22 -0.67 0.00 0.00 178.83 178.26 3ml8 h LYS 744 N -0.07 0.52 -0.52 1.46 3.64 -1.26 0.11 116.57 120.45 3ml8 h LYS 744 Ca 0.00 -0.31 0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3ml8 h LYS 744 Cb 0.82 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.59 3ml8 h LYS 744 CO 0.05 0.91 0.01 0.28 -2.27 0.00 0.00 179.45 178.43 3ml8 h VAL 745 N 0.41 0.60 -0.10 2.00 2.07 -1.14 0.32 116.25 120.40 3ml8 h VAL 745 Ca 0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3ml8 h VAL 745 Cb 1.04 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3ml8 h VAL 745 CO 0.09 0.02 -0.03 0.74 0.02 0.00 0.00 177.57 178.41 3ml8 h THR 746 N 0.13 1.30 -0.93 2.57 2.02 -0.18 -0.83 112.91 117.00 3ml8 h THR 746 Ca 0.27 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.45 3ml8 h THR 746 Cb 0.40 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 3ml8 h THR 746 CO -0.43 0.28 0.60 -0.07 0.37 0.00 0.00 175.52 176.27 3ml8 h LEU 747 N -0.14 1.08 0.85 2.58 3.38 -0.72 -1.95 115.31 120.38 3ml8 h LEU 747 Ca 0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ml8 h LEU 747 Cb 0.46 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ml8 h LEU 747 CO 0.01 0.79 -0.41 0.44 0.09 0.00 0.00 178.44 179.37 3ml8 h ASP 748 N 1.26 -0.97 -0.96 -0.43 3.32 -0.05 -1.83 116.42 116.77 3ml8 h ASP 748 Ca 0.34 0.03 0.23 0.00 0.02 0.00 0.00 57.03 57.65 3ml8 h ASP 748 Cb -0.12 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 3ml8 h ASP 748 CO -0.07 -0.68 0.63 0.40 -1.72 0.00 0.00 179.24 177.80 3ml8 h ILE 749 N -1.16 0.63 -0.77 0.35 5.03 -1.11 0.29 117.51 120.76 3ml8 h ILE 749 Ca -0.12 -0.14 -0.02 0.00 -0.12 0.00 0.00 64.86 64.46 3ml8 h ILE 749 Cb 0.87 0.19 -0.04 0.00 -3.03 0.00 0.00 36.82 34.82 3ml8 h ILE 749 CO 0.19 0.07 0.39 0.50 -0.68 0.00 0.00 178.15 178.62 3ml8 h LYS 750 N 0.40 1.11 0.00 2.37 3.64 -1.14 -2.78 116.57 120.17 3ml8 h LYS 750 Ca 0.51 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 3ml8 h LYS 750 Cb 1.30 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3ml8 h LYS 750 CO -0.21 0.85 -0.15 0.77 -2.27 0.00 0.00 179.45 178.44 3ml8 h SER 751 N 1.09 0.00 -1.47 4.20 0.02 0.44 -3.17 113.55 114.66 3ml8 h SER 751 Ca 0.27 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.46 3ml8 h SER 751 Cb 0.09 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.48 3ml8 h SER 751 CO -0.04 0.15 2.02 0.18 -1.14 0.00 0.00 176.83 178.00 3ml8 n LEU 752 N -4.22 7.13 -3.93 5.07 4.77 -1.05 -5.12 117.00 119.65 3ml8 n LEU 752 Ca -0.02 -4.80 -0.23 0.00 -0.03 0.00 0.00 56.01 50.92 3ml8 n LEU 752 Cb 0.22 -1.41 -0.17 0.00 -2.33 0.00 0.00 43.42 39.74 3ml8 n LEU 752 CO 0.35 1.66 -0.43 -0.55 -1.33 0.00 0.00 177.39 177.08 3ml8 s SER 753 N 0.38 1.52 0.00 -1.43 0.15 -1.20 -4.95 113.70 108.16 3ml8 s SER 753 Ca 0.43 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.87 3ml8 s SER 753 Cb 0.12 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 3ml8 s SER 753 CO -0.02 -0.05 0.00 -1.54 1.20 0.00 0.00 173.24 172.83 3ml8 n SER 760 N 4.25 0.00 -0.36 5.45 3.41 -1.26 -5.18 113.62 119.94 3ml8 n SER 760 Ca -0.20 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.45 3ml8 n SER 760 Cb 0.51 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.66 3ml8 n SER 760 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3ml8 h SER 761 N 0.00 0.97 0.35 4.04 4.64 -2.03 -0.26 113.55 121.25 3ml8 h SER 761 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ml8 h SER 761 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3ml8 h SER 761 CO 0.00 0.58 0.00 0.00 -0.87 0.00 0.00 176.83 176.54 3ml8 n GLN 762 N -4.56 0.16 -0.02 4.77 1.13 -1.26 -3.44 117.38 114.17 3ml8 n GLN 762 Ca 0.17 0.17 -0.01 0.00 -1.94 0.00 0.00 57.00 55.39 3ml8 n GLN 762 Cb 0.25 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.06 3ml8 n GLN 762 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3ml8 n VAL 763 N -1.34 0.23 0.20 5.09 0.31 -0.18 -4.46 118.33 118.18 3ml8 n VAL 763 Ca 0.06 -0.19 0.11 0.00 -0.01 0.00 0.00 64.34 64.31 3ml8 n VAL 763 Cb 0.14 -0.42 0.54 0.00 -0.91 0.00 0.00 33.84 33.19 3ml8 n VAL 763 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3ml8 n ILE 764 N -2.02 1.06 -0.04 2.52 5.41 -0.80 -2.66 119.36 122.83 3ml8 n ILE 764 Ca -0.06 0.64 -0.17 0.00 1.00 0.00 0.00 62.75 64.16 3ml8 n ILE 764 Cb 0.48 -1.63 -0.13 0.00 -0.71 0.00 0.00 39.64 37.66 3ml8 n ILE 764 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3ml8 h SER 765 N 0.00 0.13 -0.71 4.38 0.87 -1.78 -3.27 113.55 113.17 3ml8 h SER 765 Ca 0.00 -0.91 -0.05 0.00 -1.23 0.00 0.00 61.79 59.60 3ml8 h SER 765 Cb 0.06 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3ml8 h SER 765 CO 0.00 1.20 0.25 1.56 -0.53 0.00 0.00 176.83 179.31 3ml8 h GLN 766 N -0.81 1.08 -0.30 2.24 7.50 -1.75 -1.51 115.11 121.57 3ml8 h GLN 766 Ca -0.10 -0.22 0.02 0.00 0.50 0.00 0.00 58.65 58.85 3ml8 h GLN 766 Cb 1.24 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 28.58 3ml8 h GLN 766 CO 0.01 0.91 0.13 1.25 -1.50 0.00 0.00 178.83 179.63 3ml8 h LEU 767 N 1.02 0.18 -1.74 1.46 6.46 -1.70 0.29 115.31 121.28 3ml8 h LEU 767 Ca 0.23 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 3ml8 h LEU 767 Cb 0.27 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 3ml8 h LEU 767 CO -0.01 0.14 -0.14 0.11 -0.62 0.00 0.00 178.44 177.92 3ml8 h LYS 768 N 0.28 0.00 0.03 1.25 1.79 -1.53 -2.63 116.57 115.76 3ml8 h LYS 768 Ca 0.13 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.53 3ml8 h LYS 768 Cb 0.06 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3ml8 h LYS 768 CO -0.10 0.14 -0.28 1.96 -1.08 0.00 0.00 179.45 180.08 3ml8 h GLN 769 N 0.00 0.14 -0.51 3.15 7.50 0.13 -3.29 115.11 122.24 3ml8 h GLN 769 Ca -0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 58.94 3ml8 h GLN 769 Cb 0.24 0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.81 3ml8 h GLN 769 CO 0.02 1.01 0.25 0.87 -1.50 0.00 0.00 178.83 179.48 3ml8 h LYS 770 N -0.65 0.73 -0.03 1.46 1.57 -0.50 -2.72 116.57 116.43 3ml8 h LYS 770 Ca -0.04 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3ml8 h LYS 770 Cb 1.14 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 3ml8 h LYS 770 CO 0.05 0.61 0.06 -0.07 -0.57 0.00 0.00 179.45 179.53 3ml8 h LEU 771 N 0.68 0.00 0.03 2.94 3.38 -1.59 0.67 115.31 121.42 3ml8 h LEU 771 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ml8 h LEU 771 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ml8 h LEU 771 CO -0.02 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.16 3ml8 h GLU 772 N 0.00 -0.04 -0.25 1.13 5.08 -1.55 -2.08 114.58 116.88 3ml8 h GLU 772 Ca 0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3ml8 h GLU 772 Cb 0.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ml8 h GLU 772 CO -0.00 0.62 -0.15 0.09 -1.00 0.00 0.00 179.01 178.58 3ml8 n ASN 773 N -4.77 -0.26 -0.30 1.42 5.03 0.16 -0.65 115.26 115.89 3ml8 n ASN 773 Ca -0.09 1.05 0.04 0.00 0.87 0.00 0.00 54.58 56.46 3ml8 n ASN 773 Cb 0.33 -0.36 0.25 0.00 -1.02 0.00 0.00 39.78 38.98 3ml8 n ASN 773 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3ml8 h LEU 774 N 0.00 0.89 0.00 3.41 3.38 -1.45 0.20 115.31 121.74 3ml8 h LEU 774 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ml8 h LEU 774 Cb 0.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ml8 h LEU 774 CO -0.23 0.57 0.00 1.67 0.09 0.00 0.00 178.44 180.54 3ml8 n GLN 775 N -4.49 0.22 -0.00 1.13 -0.06 0.18 -2.94 117.38 111.41 3ml8 n GLN 775 Ca 0.14 0.14 -0.00 0.00 -2.00 0.00 0.00 57.00 55.28 3ml8 n GLN 775 Cb 0.21 -1.50 -0.00 0.00 -4.06 0.00 0.00 30.24 24.88 3ml8 n GLN 775 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 3ml8 h ASN 776 N 0.00 -0.01 0.00 1.69 4.21 0.41 -3.47 115.58 118.40 3ml8 h ASN 776 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3ml8 h ASN 776 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 3ml8 h ASN 776 CO 0.00 0.06 -0.66 -1.20 -1.29 0.00 0.00 177.43 174.34 3ml8 n SER 777 N -2.39 1.21 0.00 5.81 7.64 -1.25 -4.97 113.62 119.67 3ml8 n SER 777 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3ml8 n SER 777 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3ml8 n SER 777 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ml8 n GLN 778 N -2.52 0.00 -1.33 1.43 3.00 -1.26 -4.64 117.38 112.05 3ml8 n GLN 778 Ca 0.00 0.42 -0.45 0.00 -0.01 0.00 0.00 57.00 56.97 3ml8 n GLN 778 Cb 0.33 -1.18 -0.13 0.00 0.00 0.00 0.00 30.24 29.26 3ml8 n GLN 778 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3ml8 n LEU 779 N -1.77 0.42 -4.48 1.08 7.94 -1.15 -4.84 117.00 114.19 3ml8 n LEU 779 Ca 0.00 0.33 -0.31 0.00 -1.11 0.00 0.00 56.01 54.92 3ml8 n LEU 779 Cb 0.00 -0.86 0.19 0.00 0.53 0.00 0.00 43.42 43.28 3ml8 n LEU 779 CO 0.00 -0.69 0.25 -0.81 -1.11 0.00 0.00 177.39 175.02 3ml8 n PRO 780 N 7.69 -1.30 0.10 1.96 -0.04 -1.26 -4.88 135.00 137.27 3ml8 n PRO 780 Ca 0.59 -0.34 -0.12 0.00 -0.04 0.00 0.00 63.50 63.58 3ml8 n PRO 780 Cb 0.01 -2.08 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 3ml8 n PRO 780 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ml8 h GLU 781 N -2.13 -0.44 0.00 0.54 4.39 -1.94 -3.45 114.58 111.54 3ml8 h GLU 781 Ca -0.51 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3ml8 h GLU 781 Cb 1.31 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.06 3ml8 h GLU 781 CO 0.42 -0.30 0.00 -1.13 -1.16 0.00 0.00 179.01 176.84 3ml8 n SER 782 N -5.38 1.36 0.00 1.42 3.41 -1.26 -4.18 113.62 108.99 3ml8 n SER 782 Ca -0.06 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 3ml8 n SER 782 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ml8 n SER 782 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3ml8 n PHE 783 N 0.00 0.00 -1.74 7.33 -1.74 -0.41 -4.91 117.46 115.99 3ml8 n PHE 783 Ca 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.47 3ml8 n PHE 783 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 3ml8 n PHE 783 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3ml8 n ARG 784 N -0.54 2.72 -2.06 3.97 1.74 -1.26 0.55 116.66 121.77 3ml8 n ARG 784 Ca 0.00 0.97 -0.43 0.00 -0.77 0.00 0.00 57.85 57.62 3ml8 n ARG 784 Cb 0.00 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 28.65 3ml8 n ARG 784 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ml8 s VAL 785 N 0.26 3.64 0.43 1.55 1.01 0.18 -4.83 120.40 122.65 3ml8 s VAL 785 Ca 0.67 0.74 0.16 0.00 0.00 0.00 0.00 61.98 63.54 3ml8 s VAL 785 Cb -0.50 -3.59 0.35 0.00 0.00 0.00 0.00 36.38 32.64 3ml8 s VAL 785 CO 0.45 -0.19 1.94 -0.65 0.00 0.00 0.00 175.10 176.65 3ml8 h PRO 786 N 10.43 0.38 -0.00 2.72 0.11 -1.92 -1.11 132.00 142.61 3ml8 h PRO 786 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3ml8 h PRO 786 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ml8 h PRO 786 CO 0.98 0.25 -0.29 2.48 -0.21 0.00 0.00 178.00 181.21 3ml8 n TYR 787 N -4.47 0.00 -3.36 0.65 0.18 -1.26 -4.38 117.16 104.51 3ml8 n TYR 787 Ca 0.13 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.70 3ml8 n TYR 787 Cb 0.48 -0.25 -0.08 0.00 -0.38 0.00 0.00 39.34 39.11 3ml8 n TYR 787 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 3ml8 s ASP 788 N -2.79 1.50 0.51 9.48 -1.08 -0.43 -4.83 116.67 119.03 3ml8 s ASP 788 Ca 0.18 -1.87 0.34 0.00 -0.52 0.00 0.00 52.55 50.68 3ml8 s ASP 788 Cb 0.19 0.31 1.84 0.00 -1.46 0.00 0.00 42.92 43.79 3ml8 s ASP 788 CO 0.59 -0.25 2.05 1.55 0.52 0.00 0.00 175.17 179.63 3ml8 h PRO 789 N 6.83 0.00 -0.01 4.34 0.13 -1.73 -1.79 132.00 139.77 3ml8 h PRO 789 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3ml8 h PRO 789 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ml8 h PRO 789 CO 0.22 0.00 -0.09 0.41 -0.23 0.00 0.00 178.00 178.30 3ml8 n GLY 790 N -1.09 -0.50 3.30 1.56 0.00 -1.26 -4.80 105.19 102.40 3ml8 n GLY 790 Ca -0.02 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3ml8 n GLY 790 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ml8 s LEU 791 N -2.25 3.45 -0.22 0.99 1.43 -0.67 -0.89 118.68 120.52 3ml8 s LEU 791 Ca 0.33 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 3ml8 s LEU 791 Cb 0.20 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3ml8 s LEU 791 CO 0.42 -0.13 0.39 -0.54 0.23 0.00 0.00 176.35 176.72 3ml8 s LYS 792 N 1.45 4.13 -0.07 1.70 1.02 -1.26 0.50 119.74 127.21 3ml8 s LYS 792 Ca 0.03 0.15 -0.18 0.00 0.02 0.00 0.00 55.97 55.99 3ml8 s LYS 792 Cb -0.16 -3.57 -0.05 0.00 -0.52 0.00 0.00 37.83 33.53 3ml8 s LYS 792 CO -0.01 -0.10 0.48 0.00 -0.92 0.00 0.00 175.35 174.80 3ml8 s ALA 793 N 1.52 3.54 0.00 5.17 0.00 0.19 -0.57 121.76 131.61 3ml8 s ALA 793 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.97 3ml8 s ALA 793 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3ml8 s ALA 793 CO 0.08 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.41 3ml8 n GLY 794 N 2.75 0.44 3.78 0.00 0.00 0.47 -1.28 105.19 111.35 3ml8 n GLY 794 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3ml8 n GLY 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml8 s ALA 795 N -3.03 3.13 0.79 4.61 0.00 -1.26 -4.64 121.76 121.36 3ml8 s ALA 795 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3ml8 s ALA 795 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3ml8 s ALA 795 CO 0.00 -0.15 0.00 1.28 0.00 0.00 0.00 175.76 176.89 3ml8 n LEU 796 N 0.10 0.00 -2.75 0.00 4.77 -1.26 0.27 117.00 118.13 3ml8 n LEU 796 Ca 0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 3ml8 n LEU 796 Cb 0.49 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 3ml8 n LEU 796 CO 0.46 -0.74 0.23 0.00 -1.33 0.00 0.00 177.39 176.00 3ml8 n ALA 797 N -2.83 -1.22 -0.45 -1.18 0.00 -0.99 -4.17 120.51 109.67 3ml8 n ALA 797 Ca 0.00 -1.44 0.37 0.00 0.00 0.00 0.00 53.44 52.38 3ml8 n ALA 797 Cb 0.00 -1.29 0.66 0.00 0.00 0.00 0.00 19.45 18.82 3ml8 n ALA 797 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3ml8 h ILE 798 N 2.99 0.14 -0.89 0.00 -2.65 -1.94 0.74 117.51 115.89 3ml8 h ILE 798 Ca -0.13 -0.03 0.22 0.00 1.03 0.00 0.00 64.86 65.95 3ml8 h ILE 798 Cb 1.05 0.04 -0.16 0.00 -2.05 0.00 0.00 36.82 35.70 3ml8 h ILE 798 CO 0.28 0.02 0.00 1.05 0.03 0.00 0.00 178.15 179.53 3ml8 h GLU 799 N 0.09 0.06 0.00 0.16 4.11 -1.97 -2.85 114.58 114.18 3ml8 h GLU 799 Ca 0.81 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.24 3ml8 h GLU 799 Cb 2.60 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.84 3ml8 h GLU 799 CO -0.37 0.04 -1.30 1.63 0.07 0.00 0.00 179.01 179.07 3ml8 n LYS 800 N -5.43 0.41 -1.57 1.06 5.02 0.26 -4.97 118.16 112.93 3ml8 n LYS 800 Ca 0.18 -0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 3ml8 n LYS 800 Cb 0.61 -1.59 0.07 0.00 -0.02 0.00 0.00 35.03 34.10 3ml8 n LYS 800 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ml8 s LYS 802 N -5.09 0.35 0.70 0.00 -2.85 -1.11 -4.98 119.74 106.75 3ml8 s LYS 802 Ca 0.59 -0.16 -0.01 0.00 -1.00 0.00 0.00 55.97 55.39 3ml8 s LYS 802 Cb -0.14 0.14 0.11 0.00 -2.06 0.00 0.00 37.83 35.88 3ml8 s LYS 802 CO 0.55 -0.16 0.97 0.08 0.10 0.00 0.00 175.35 176.89 3ml8 s VAL 803 N -2.42 2.21 0.11 1.79 1.01 -1.26 -0.80 120.40 121.04 3ml8 s VAL 803 Ca 0.12 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3ml8 s VAL 803 Cb 0.02 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3ml8 s VAL 803 CO -0.04 0.00 -0.06 -0.04 0.00 0.00 0.00 175.10 174.96 3ml8 s MET 804 N -5.10 0.88 -0.77 2.72 1.00 -1.20 -4.82 119.30 112.01 3ml8 s MET 804 Ca 0.65 -1.37 -0.06 0.00 0.00 0.00 0.00 55.69 54.91 3ml8 s MET 804 Cb -0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 34.83 34.48 3ml8 s MET 804 CO 0.44 -0.04 3.03 0.00 0.00 0.00 0.00 175.02 178.45 3ml8 n ALA 805 N -0.07 6.79 -2.87 3.03 0.00 -1.26 -4.70 120.51 121.43 3ml8 n ALA 805 Ca -0.11 -2.97 -0.23 0.00 0.00 0.00 0.00 53.44 50.12 3ml8 n ALA 805 Cb 0.61 -2.63 -0.04 0.00 0.00 0.00 0.00 19.45 17.39 3ml8 n ALA 805 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ml8 s SER 806 N 1.35 5.81 0.14 0.00 0.15 -1.26 -5.03 113.70 114.86 3ml8 s SER 806 Ca 0.63 -0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.94 3ml8 s SER 806 Cb 0.27 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.98 3ml8 s SER 806 CO -0.09 -0.01 1.62 0.11 1.20 0.00 0.00 173.24 176.07 3ml8 h LYS 807 N 1.72 -0.36 -7.40 5.44 6.56 -2.02 -3.39 116.57 117.12 3ml8 h LYS 807 Ca -0.49 0.02 -0.50 0.00 -1.06 0.00 0.00 60.65 58.63 3ml8 h LYS 807 Cb 1.22 0.08 0.10 0.00 -0.57 0.00 0.00 32.23 33.06 3ml8 h LYS 807 CO 0.62 -0.24 0.36 -1.59 -2.06 0.00 0.00 179.45 176.54 3ml8 s LYS 808 N -6.02 2.47 -0.57 3.15 -2.85 -1.26 -5.04 119.74 109.62 3ml8 s LYS 808 Ca -0.15 0.69 0.04 0.00 -1.00 0.00 0.00 55.97 55.55 3ml8 s LYS 808 Cb 0.10 -1.96 0.14 0.00 -2.06 0.00 0.00 37.83 34.06 3ml8 s LYS 808 CO 0.66 -1.36 0.32 0.15 0.10 0.00 0.00 175.35 175.23 3ml8 s LYS 809 N -5.16 2.10 0.19 1.78 -0.14 -1.26 -4.87 119.74 112.38 3ml8 s LYS 809 Ca 0.59 -2.81 -0.29 0.00 -1.36 0.00 0.00 55.97 52.10 3ml8 s LYS 809 Cb -0.14 -3.33 -0.08 0.00 -1.68 0.00 0.00 37.83 32.60 3ml8 s LYS 809 CO 0.54 -1.16 0.92 -1.25 -0.76 0.00 0.00 175.35 173.64 3ml8 s PRO 810 N -0.60 4.77 0.22 -1.68 0.04 -1.26 -4.42 135.00 132.07 3ml8 s PRO 810 Ca 0.19 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 3ml8 s PRO 810 Cb -0.20 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 3ml8 s PRO 810 CO -0.04 0.44 1.00 -0.51 0.04 0.00 0.00 177.00 177.93 3ml8 s LEU 811 N -0.84 4.59 -0.89 -3.56 1.02 -0.24 -3.27 118.68 115.49 3ml8 s LEU 811 Ca 0.42 2.03 -0.08 0.00 0.02 0.00 0.00 54.13 56.51 3ml8 s LEU 811 Cb -0.25 -3.61 0.23 0.00 0.02 0.00 0.00 46.19 42.58 3ml8 s LEU 811 CO 0.31 0.01 0.81 0.86 0.02 0.00 0.00 176.35 178.35 3ml8 s TRP 812 N -0.90 3.87 0.29 0.29 -0.11 0.02 -2.23 118.94 120.17 3ml8 s TRP 812 Ca 0.44 -2.54 -0.12 0.00 1.22 0.00 0.00 56.10 55.10 3ml8 s TRP 812 Cb -0.28 -3.60 -0.08 0.00 -1.50 0.00 0.00 33.47 28.02 3ml8 s TRP 812 CO 0.34 -0.90 0.65 -0.51 -4.62 0.00 0.00 176.95 171.92 3ml8 s LEU 813 N -0.60 4.08 0.01 5.86 1.43 -0.47 -2.77 118.68 126.22 3ml8 s LEU 813 Ca 0.23 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 3ml8 s LEU 813 Cb -0.11 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 3ml8 s LEU 813 CO -0.08 -0.17 -0.07 -1.61 0.23 0.00 0.00 176.35 174.65 3ml8 s GLU 814 N -3.03 0.52 0.11 1.70 2.02 -1.26 -1.88 118.70 116.87 3ml8 s GLU 814 Ca 0.51 -0.36 0.07 0.00 0.02 0.00 0.00 54.97 55.20 3ml8 s GLU 814 Cb -0.11 -0.46 -0.04 0.00 0.10 0.00 0.00 34.13 33.63 3ml8 s GLU 814 CO 0.21 0.12 -0.16 -0.06 0.02 0.00 0.00 175.26 175.38 3ml8 s PHE 815 N -0.44 1.50 0.27 1.61 0.40 0.56 -2.33 117.98 119.54 3ml8 s PHE 815 Ca -0.00 -0.49 -0.26 0.00 -0.60 0.00 0.00 56.93 55.58 3ml8 s PHE 815 Cb -0.04 -0.80 -0.09 0.00 0.51 0.00 0.00 43.02 42.59 3ml8 s PHE 815 CO -0.00 0.16 0.89 0.21 0.70 0.00 0.00 175.22 177.18 3ml8 s LYS 816 N -2.26 4.59 0.19 0.44 2.20 0.14 0.44 119.74 125.49 3ml8 s LYS 816 Ca 0.06 1.27 -0.31 0.00 -0.36 0.00 0.00 55.97 56.64 3ml8 s LYS 816 Cb -0.08 -2.97 -0.09 0.00 -1.51 0.00 0.00 37.83 33.18 3ml8 s LYS 816 CO 0.04 0.39 1.40 0.00 -0.36 0.00 0.00 175.35 176.81 3ml8 n ALA 818 N 3.02 2.28 -3.31 0.00 0.00 0.27 -4.47 120.51 118.31 3ml8 n ALA 818 Ca 0.09 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 3ml8 n ALA 818 Cb 0.41 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 3ml8 n ALA 818 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ml8 s ASP 819 N -2.64 4.33 0.17 0.00 2.15 -1.26 -4.88 116.67 114.53 3ml8 s ASP 819 Ca 0.23 -0.33 -0.16 0.00 0.43 0.00 0.00 52.55 52.71 3ml8 s ASP 819 Cb 0.17 -1.72 0.11 0.00 -0.30 0.00 0.00 42.92 41.18 3ml8 s ASP 819 CO 0.41 0.06 1.68 -0.65 -0.17 0.00 0.00 175.17 176.49 3ml8 h PRO 820 N 7.54 0.04 0.00 4.34 0.11 -1.96 -2.87 132.00 139.21 3ml8 h PRO 820 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3ml8 h PRO 820 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ml8 h PRO 820 CO 0.60 0.03 0.03 0.25 -0.21 0.00 0.00 178.00 178.70 3ml8 n THR 821 N -5.26 0.94 -1.52 -1.15 -2.24 -1.26 -4.76 114.28 99.03 3ml8 n THR 821 Ca 0.03 0.27 -0.45 0.00 -2.27 0.00 0.00 64.05 61.62 3ml8 n THR 821 Cb 0.22 -1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 67.16 3ml8 n THR 821 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ml8 n ALA 822 N -1.21 -1.07 0.17 6.98 0.00 -1.09 -3.87 120.51 120.42 3ml8 n ALA 822 Ca 0.00 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.89 3ml8 n ALA 822 Cb 0.03 -1.88 0.09 0.00 0.00 0.00 0.00 19.45 17.69 3ml8 n ALA 822 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 3ml8 h LEU 823 N 1.58 0.00 0.00 0.00 8.10 -1.86 -3.46 115.31 119.67 3ml8 h LEU 823 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.62 3ml8 h LEU 823 Cb 1.37 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.59 3ml8 h LEU 823 CO 0.59 0.24 0.00 -0.24 -4.11 0.00 0.00 178.44 174.92 3ml8 n SER 824 N -3.13 0.53 -0.07 0.17 2.88 -1.26 -5.09 113.62 107.66 3ml8 n SER 824 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 3ml8 n SER 824 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 3ml8 n SER 824 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ml8 n ASN 825 N 0.00 0.00 -4.66 -3.46 3.02 -1.26 -5.07 115.26 103.83 3ml8 n ASN 825 Ca 0.00 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 3ml8 n ASN 825 Cb 0.00 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 3ml8 n ASN 825 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ml8 s GLU 826 N 0.00 4.14 1.13 3.52 2.02 -1.26 -4.97 118.70 123.28 3ml8 s GLU 826 Ca 0.00 2.54 -0.17 0.00 0.02 0.00 0.00 54.97 57.37 3ml8 s GLU 826 Cb 0.00 -4.14 0.26 0.00 0.10 0.00 0.00 34.13 30.36 3ml8 s GLU 826 CO 0.00 -0.95 0.59 0.25 0.02 0.00 0.00 175.26 175.18 3ml8 n THR 827 N 5.56 0.00 -4.14 3.63 -2.24 -1.26 -4.76 114.28 111.07 3ml8 n THR 827 Ca 0.20 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.63 3ml8 n THR 827 Cb 0.41 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.82 3ml8 n THR 827 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ml8 s ILE 828 N -1.96 3.00 -0.24 2.28 1.01 0.17 -4.90 121.20 120.55 3ml8 s ILE 828 Ca 0.46 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 3ml8 s ILE 828 Cb -0.08 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3ml8 s ILE 828 CO 0.38 0.47 0.01 -0.83 0.00 0.00 0.00 174.94 174.97 3ml8 s GLY 829 N 1.20 1.68 0.07 6.18 0.00 -1.26 -0.33 107.32 114.87 3ml8 s GLY 829 Ca 0.02 -1.22 0.07 0.00 0.00 0.00 0.00 44.72 43.59 3ml8 s GLY 829 CO -0.04 0.50 -0.20 -0.42 0.00 0.00 0.00 173.10 172.95 3ml8 s ILE 830 N 1.51 1.59 -0.25 0.90 1.01 -0.79 -0.28 121.20 124.90 3ml8 s ILE 830 Ca 0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 60.65 59.34 3ml8 s ILE 830 Cb -0.15 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.92 3ml8 s ILE 830 CO -0.00 0.03 -0.06 -0.63 0.00 0.00 0.00 174.94 174.28 3ml8 s ILE 831 N -1.00 2.92 -0.02 2.92 1.01 -0.71 -1.37 121.20 124.94 3ml8 s ILE 831 Ca 0.06 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 3ml8 s ILE 831 Cb -0.09 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 3ml8 s ILE 831 CO 0.03 0.21 0.52 -0.36 0.00 0.00 0.00 174.94 175.34 3ml8 s PHE 832 N 1.34 3.67 -0.06 3.97 0.40 -0.95 -1.43 117.98 124.92 3ml8 s PHE 832 Ca 0.01 1.09 -0.05 0.00 -0.60 0.00 0.00 56.93 57.38 3ml8 s PHE 832 Cb -0.16 -2.50 0.02 0.00 0.51 0.00 0.00 43.02 40.88 3ml8 s PHE 832 CO -0.04 0.42 0.16 0.21 0.70 0.00 0.00 175.22 176.66 3ml8 s LYS 833 N -0.36 0.17 -0.11 0.44 2.47 -0.95 -1.08 119.74 120.32 3ml8 s LYS 833 Ca 0.28 0.27 -0.01 0.00 -1.56 0.00 0.00 55.97 54.95 3ml8 s LYS 833 Cb -0.17 0.03 -0.03 0.00 -1.46 0.00 0.00 37.83 36.20 3ml8 s LYS 833 CO 0.15 -0.06 -0.08 -1.58 0.16 0.00 0.00 175.35 173.94 3ml8 s HIS 834 N 0.36 2.92 0.00 4.03 5.65 -1.26 -2.88 115.29 124.12 3ml8 s HIS 834 Ca -0.02 -0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.04 3ml8 s HIS 834 Cb -0.04 -1.82 0.00 0.00 -1.18 0.00 0.00 32.58 29.55 3ml8 s HIS 834 CO -0.02 0.08 0.00 0.41 -0.65 0.00 0.00 174.74 174.56 3ml8 n GLY 835 N 2.96 1.10 3.80 1.59 0.00 0.27 -4.77 105.19 110.15 3ml8 n GLY 835 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3ml8 n GLY 835 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ml8 s ASP 836 N -2.00 6.72 -1.20 1.61 1.01 -1.20 -5.00 116.67 116.61 3ml8 s ASP 836 Ca 0.00 0.86 -0.20 0.00 0.71 0.00 0.00 52.55 53.92 3ml8 s ASP 836 Cb 0.00 -2.24 0.04 0.00 1.01 0.00 0.00 42.92 41.73 3ml8 s ASP 836 CO 0.00 0.24 1.69 -0.62 0.21 0.00 0.00 175.17 176.69 3ml8 s ASP 837 N -0.58 6.50 0.00 0.27 2.15 -1.26 -3.81 116.67 119.93 3ml8 s ASP 837 Ca 0.23 -2.03 0.03 0.00 0.43 0.00 0.00 52.55 51.21 3ml8 s ASP 837 Cb -0.16 -2.58 0.13 0.00 -0.30 0.00 0.00 42.92 40.01 3ml8 s ASP 837 CO 0.11 -1.52 1.01 0.18 -0.17 0.00 0.00 175.17 174.78 3ml8 n LEU 838 N 9.37 0.00 -0.30 -1.34 4.32 -1.26 -1.76 117.00 126.02 3ml8 n LEU 838 Ca 0.44 0.41 -0.00 0.00 -0.02 0.00 0.00 56.01 56.84 3ml8 n LEU 838 Cb 0.47 -0.41 0.13 0.00 -1.62 0.00 0.00 43.42 41.99 3ml8 n LEU 838 CO 0.72 -0.37 1.18 -0.09 -1.22 0.00 0.00 177.39 177.62 3ml8 h ARG 839 N 0.00 0.92 -0.29 3.23 2.43 -1.92 -1.44 114.38 117.32 3ml8 h ARG 839 Ca 0.00 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3ml8 h ARG 839 Cb 0.04 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3ml8 h ARG 839 CO 0.00 0.61 -0.52 1.96 -1.51 0.00 0.00 179.97 180.52 3ml8 h GLN 840 N 0.95 0.82 -0.59 0.20 4.20 -1.60 -2.34 115.11 116.74 3ml8 h GLN 840 Ca 0.36 -0.50 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3ml8 h GLN 840 Cb 0.14 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3ml8 h GLN 840 CO -0.16 1.13 0.10 -0.44 -0.67 0.00 0.00 178.83 178.79 3ml8 h ASP 841 N 0.64 0.90 0.17 1.46 5.19 -1.64 -0.16 116.42 122.98 3ml8 h ASP 841 Ca 0.02 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3ml8 h ASP 841 Cb 1.11 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 3ml8 h ASP 841 CO 0.11 0.90 -0.14 0.24 -3.12 0.00 0.00 179.24 177.23 3ml8 h MET 842 N 0.90 -0.32 0.34 3.56 2.86 -1.03 0.45 114.93 121.68 3ml8 h MET 842 Ca 0.18 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 3ml8 h MET 842 Cb 0.39 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3ml8 h MET 842 CO 0.01 -0.21 -0.32 -0.07 1.06 0.00 0.00 176.91 177.37 3ml8 h LEU 843 N -0.33 -0.87 -0.22 1.22 4.07 -1.16 0.73 115.31 118.75 3ml8 h LEU 843 Ca -0.00 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.05 3ml8 h LEU 843 Cb 0.30 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 3ml8 h LEU 843 CO -0.02 -0.46 0.08 0.40 -1.08 0.00 0.00 178.44 177.36 3ml8 h ILE 844 N -0.68 0.95 -0.80 1.22 1.08 -0.88 0.96 117.51 119.36 3ml8 h ILE 844 Ca -0.02 -0.06 0.13 0.00 -0.39 0.00 0.00 64.86 64.51 3ml8 h ILE 844 Cb 0.62 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.06 3ml8 h ILE 844 CO -0.05 0.03 0.52 -0.07 -0.69 0.00 0.00 178.15 177.90 3ml8 h LEU 845 N 0.18 0.56 0.02 1.44 -0.00 0.12 -1.70 115.31 115.94 3ml8 h LEU 845 Ca 0.09 0.03 -0.27 0.00 -0.00 0.00 0.00 57.88 57.73 3ml8 h LEU 845 Cb 0.06 -0.09 0.02 0.00 -0.00 0.00 0.00 40.66 40.65 3ml8 h LEU 845 CO -0.09 0.31 -1.09 -0.61 -0.00 0.00 0.00 178.44 176.95 3ml8 h GLN 846 N 0.61 0.67 -0.79 1.13 5.75 0.16 -2.49 115.11 120.15 3ml8 h GLN 846 Ca 0.39 -0.76 0.10 0.00 -0.15 0.00 0.00 58.65 58.23 3ml8 h GLN 846 Cb 0.66 0.22 -0.08 0.00 1.07 0.00 0.00 27.48 29.35 3ml8 h GLN 846 CO -0.15 1.33 0.42 0.82 -2.65 0.00 0.00 178.83 178.60 3ml8 h ILE 847 N 0.36 0.86 -0.74 2.39 2.04 -0.98 -1.72 117.51 119.72 3ml8 h ILE 847 Ca -0.14 -0.24 0.11 0.00 1.00 0.00 0.00 64.86 65.59 3ml8 h ILE 847 Cb 1.75 0.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 3ml8 h ILE 847 CO 0.21 0.13 0.36 -0.07 0.00 0.00 0.00 178.15 178.78 3ml8 h LEU 848 N 0.70 0.45 -0.52 1.44 4.07 -0.89 0.30 115.31 120.86 3ml8 h LEU 848 Ca 0.39 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.37 3ml8 h LEU 848 Cb 0.41 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 3ml8 h LEU 848 CO -0.27 0.24 0.11 0.03 -1.08 0.00 0.00 178.44 177.47 3ml8 h ARG 849 N 0.59 0.84 -0.96 1.13 3.08 -1.04 0.12 114.38 118.13 3ml8 h ARG 849 Ca 0.38 -0.21 0.08 0.00 0.07 0.00 0.00 59.98 60.29 3ml8 h ARG 849 Cb 0.44 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 3ml8 h ARG 849 CO -0.30 0.81 0.62 0.82 -1.07 0.00 0.00 179.97 180.85 3ml8 h ILE 850 N 0.73 1.05 -0.41 2.04 2.04 -0.21 -1.12 117.51 121.63 3ml8 h ILE 850 Ca 0.16 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 3ml8 h ILE 850 Cb 0.36 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3ml8 h ILE 850 CO 0.00 0.20 -0.03 0.24 0.00 0.00 0.00 178.15 178.56 3ml8 h MET 851 N 1.08 0.74 -0.20 2.37 2.86 0.20 0.52 114.93 122.50 3ml8 h MET 851 Ca 0.43 -0.25 0.06 0.00 -2.06 0.00 0.00 59.70 57.88 3ml8 h MET 851 Cb 0.25 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3ml8 h MET 851 CO -0.18 0.84 0.21 0.93 1.06 0.00 0.00 176.91 179.76 3ml8 h GLU 852 N 0.56 0.00 0.07 1.72 5.08 -0.32 -1.13 114.58 120.57 3ml8 h GLU 852 Ca 0.11 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.17 3ml8 h GLU 852 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3ml8 h GLU 852 CO 0.03 0.00 -1.64 1.03 -1.00 0.00 0.00 179.01 177.42 3ml8 h SER 853 N 0.00 0.23 0.29 1.42 0.87 0.03 -2.92 113.55 113.48 3ml8 h SER 853 Ca 0.10 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3ml8 h SER 853 Cb 0.51 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3ml8 h SER 853 CO -0.00 1.34 -0.14 0.40 -0.53 0.00 0.00 176.83 177.90 3ml8 h ILE 854 N 0.04 0.74 -0.31 2.23 2.04 -0.44 -2.78 117.51 119.03 3ml8 h ILE 854 Ca -0.28 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.44 3ml8 h ILE 854 Cb 2.00 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 3ml8 h ILE 854 CO 0.12 0.05 0.35 -0.50 0.00 0.00 0.00 178.15 178.17 3ml8 h TRP 855 N -0.51 0.00 -0.06 1.37 6.55 -1.28 -1.27 115.95 120.75 3ml8 h TRP 855 Ca -0.04 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.62 3ml8 h TRP 855 Cb 0.38 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.67 3ml8 h TRP 855 CO -0.02 0.00 -0.73 1.49 -1.05 0.00 0.00 178.44 178.13 3ml8 h GLU 856 N 0.00 0.32 -0.37 0.49 4.81 -1.28 -1.97 114.58 116.58 3ml8 h GLU 856 Ca 0.15 -0.27 0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3ml8 h GLU 856 Cb 0.84 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 3ml8 h GLU 856 CO -0.00 0.92 0.25 1.79 -0.73 0.00 0.00 179.01 181.24 3ml8 h THR 857 N 0.21 0.92 -0.43 0.32 1.35 -1.18 -0.52 112.91 113.58 3ml8 h THR 857 Ca -0.03 -0.07 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 3ml8 h THR 857 Cb 1.30 0.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 3ml8 h THR 857 CO 0.12 0.04 0.03 -0.62 -0.25 0.00 0.00 175.52 174.84 3ml8 n GLU 858 N -4.47 3.54 -0.86 4.72 1.02 -0.98 -4.96 120.64 118.65 3ml8 n GLU 858 Ca 0.05 -3.00 0.00 0.00 -0.02 0.00 0.00 57.16 54.19 3ml8 n GLU 858 Cb 0.30 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 3ml8 n GLU 858 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3ml8 n SER 859 N -0.18 -1.54 -4.86 1.62 7.64 -0.21 -4.98 113.62 111.12 3ml8 n SER 859 Ca 0.27 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.84 3ml8 n SER 859 Cb 1.06 -1.37 0.04 0.00 -1.01 0.00 0.00 64.21 62.94 3ml8 n SER 859 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ml8 s LEU 860 N 0.00 2.98 -0.27 -3.43 1.43 -0.80 -4.56 118.68 114.03 3ml8 s LEU 860 Ca 0.00 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 3ml8 s LEU 860 Cb 0.00 -4.17 0.14 0.00 0.03 0.00 0.00 46.19 42.19 3ml8 s LEU 860 CO 0.00 -1.32 0.36 -0.62 0.23 0.00 0.00 176.35 175.00 3ml8 s ASP 861 N -4.14 0.77 -0.07 2.29 -1.08 -1.26 -4.05 116.67 109.12 3ml8 s ASP 861 Ca 0.58 -0.33 0.16 0.00 -0.52 0.00 0.00 52.55 52.45 3ml8 s ASP 861 Cb -0.12 0.90 0.59 0.00 -1.46 0.00 0.00 42.92 42.83 3ml8 s ASP 861 CO 0.53 -0.35 1.48 0.18 0.52 0.00 0.00 175.17 177.54 3ml8 n LEU 862 N 5.34 3.88 -0.57 -1.34 4.77 -1.26 -4.91 117.00 122.91 3ml8 n LEU 862 Ca -0.02 -1.95 -0.07 0.00 -0.03 0.00 0.00 56.01 53.94 3ml8 n LEU 862 Cb 0.49 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3ml8 n LEU 862 CO 0.01 0.74 -0.07 0.00 -1.33 0.00 0.00 177.39 176.74 3ml8 n LEU 864 N -0.85 2.29 -3.88 0.00 4.77 -1.26 -4.82 117.00 113.25 3ml8 n LEU 864 Ca -0.07 0.38 -0.28 0.00 -0.03 0.00 0.00 56.01 56.00 3ml8 n LEU 864 Cb 0.30 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 39.86 3ml8 n LEU 864 CO 0.11 -2.56 -0.07 -0.76 -1.33 0.00 0.00 177.39 172.78 3ml8 s LEU 865 N -5.22 4.56 -1.37 2.23 1.43 -1.26 -5.00 118.68 114.04 3ml8 s LEU 865 Ca 0.64 -3.67 -0.14 0.00 -1.03 0.00 0.00 54.13 49.93 3ml8 s LEU 865 Cb -0.23 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 3ml8 s LEU 865 CO 0.61 -0.11 2.28 -2.65 0.23 0.00 0.00 176.35 176.70 3ml8 n PRO 866 N 2.21 2.76 -0.92 1.29 -0.02 -1.26 -4.92 135.00 134.14 3ml8 n PRO 866 Ca 0.18 -2.42 -0.34 0.00 -2.02 0.00 0.00 63.50 58.90 3ml8 n PRO 866 Cb 0.35 -3.16 0.11 0.00 -0.02 0.00 0.00 33.50 30.78 3ml8 n PRO 866 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3ml8 n TYR 867 N 5.93 -1.12 -1.89 6.00 0.18 -1.26 -4.92 117.16 120.08 3ml8 n TYR 867 Ca 0.55 0.27 -0.38 0.00 1.88 0.00 0.00 57.90 60.22 3ml8 n TYR 867 Cb 0.37 -1.84 0.03 0.00 -0.38 0.00 0.00 39.34 37.53 3ml8 n TYR 867 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 3ml8 s GLY 868 N -1.91 2.85 -0.29 -7.48 0.00 -1.26 -4.90 107.32 94.33 3ml8 s GLY 868 Ca 0.60 1.21 -0.13 0.00 0.00 0.00 0.00 44.72 46.40 3ml8 s GLY 868 CO 0.64 1.69 0.69 0.00 0.00 0.00 0.00 173.10 176.12 3ml8 s ILE 870 N 2.38 1.33 -0.07 0.00 -1.09 -1.09 -4.78 121.20 117.87 3ml8 s ILE 870 Ca -0.07 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 57.33 3ml8 s ILE 870 Cb -0.09 -1.43 -0.03 0.00 -1.58 0.00 0.00 42.46 39.33 3ml8 s ILE 870 CO -0.19 0.21 1.23 -0.55 -1.23 0.00 0.00 174.94 174.40 3ml8 s SER 871 N 1.55 7.02 -0.01 3.58 0.15 -1.26 -1.38 113.70 123.35 3ml8 s SER 871 Ca 0.01 1.82 0.09 0.00 0.70 0.00 0.00 55.95 58.57 3ml8 s SER 871 Cb -0.15 -2.56 -0.12 0.00 -1.71 0.00 0.00 66.02 61.48 3ml8 s SER 871 CO -0.08 -0.62 0.26 0.35 1.20 0.00 0.00 173.24 174.34 3ml8 n THR 872 N 4.74 0.00 -2.93 6.45 -2.24 -0.47 -4.33 114.28 115.51 3ml8 n THR 872 Ca 0.12 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3ml8 n THR 872 Cb 0.46 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3ml8 n THR 872 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ml8 n GLY 873 N 1.71 1.87 3.63 3.38 0.00 -0.33 -4.69 105.19 110.76 3ml8 n GLY 873 Ca -0.00 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 3ml8 n GLY 873 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ml8 s ASP 874 N -0.05 6.50 0.00 1.61 2.15 -1.26 -2.87 116.67 122.75 3ml8 s ASP 874 Ca 0.00 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.41 3ml8 s ASP 874 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 3ml8 s ASP 874 CO 0.00 -1.19 0.00 0.29 -0.17 0.00 0.00 175.17 174.10 3ml8 n LYS 875 N 7.52 -1.14 -4.39 4.34 4.76 -1.26 -4.82 118.16 123.17 3ml8 n LYS 875 Ca 0.17 0.29 -0.19 0.00 -2.87 0.00 0.00 58.31 55.70 3ml8 n LYS 875 Cb 0.46 -4.30 -0.14 0.00 -1.84 0.00 0.00 35.03 29.21 3ml8 n LYS 875 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3ml8 s ILE 876 N -1.41 0.86 -0.73 -0.18 2.07 -1.14 0.95 121.20 121.62 3ml8 s ILE 876 Ca 0.00 -0.61 0.00 0.00 -1.41 0.00 0.00 60.65 58.63 3ml8 s ILE 876 Cb 0.00 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.84 3ml8 s ILE 876 CO 0.00 0.13 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 3ml8 n GLY 877 N 2.52 -1.04 3.75 1.50 0.00 -1.14 -1.18 105.19 109.60 3ml8 n GLY 877 Ca -0.15 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 3ml8 n GLY 877 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3ml8 s MET 878 N -0.29 2.16 -0.14 1.61 0.23 -0.48 -2.24 119.30 120.14 3ml8 s MET 878 Ca 0.00 -2.28 -0.05 0.00 -1.03 0.00 0.00 55.69 52.32 3ml8 s MET 878 Cb 0.00 -1.63 0.07 0.00 -1.53 0.00 0.00 34.83 31.74 3ml8 s MET 878 CO 0.00 -0.32 0.30 0.42 -2.03 0.00 0.00 175.02 173.40 3ml8 s ILE 879 N -2.82 -0.40 0.48 3.16 1.01 -0.51 -2.69 121.20 119.42 3ml8 s ILE 879 Ca 0.15 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.82 3ml8 s ILE 879 Cb 0.03 -0.49 -0.09 0.00 0.01 0.00 0.00 42.46 41.91 3ml8 s ILE 879 CO 0.08 0.10 0.87 1.21 0.00 0.00 0.00 174.94 177.20 3ml8 n GLU 880 N 5.18 1.03 -3.67 2.79 2.13 -0.59 -1.75 120.64 125.76 3ml8 n GLU 880 Ca -0.10 0.38 -0.38 0.00 0.66 0.00 0.00 57.16 57.72 3ml8 n GLU 880 Cb 0.50 -1.95 -0.12 0.00 0.27 0.00 0.00 31.44 30.15 3ml8 n GLU 880 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3ml8 s ILE 881 N -1.41 4.53 0.23 6.31 1.01 0.62 -4.81 121.20 127.68 3ml8 s ILE 881 Ca 0.67 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 3ml8 s ILE 881 Cb -0.52 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 3ml8 s ILE 881 CO 0.55 0.08 1.45 -0.69 0.00 0.00 0.00 174.94 176.33 3ml8 s VAL 882 N 1.60 2.70 0.04 2.92 1.01 -1.26 -4.71 120.40 122.70 3ml8 s VAL 882 Ca 0.04 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 3ml8 s VAL 882 Cb -0.17 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3ml8 s VAL 882 CO 0.06 0.08 0.75 -0.54 0.00 0.00 0.00 175.10 175.45 3ml8 s LYS 883 N -0.05 4.48 0.00 2.72 -0.14 -1.26 -4.15 119.74 121.34 3ml8 s LYS 883 Ca 0.61 1.04 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 3ml8 s LYS 883 Cb -0.42 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.37 3ml8 s LYS 883 CO 0.41 0.28 0.00 -0.25 -0.76 0.00 0.00 175.35 175.03 3ml8 n ASP 884 N 2.83 -1.44 -4.34 2.83 8.00 -1.26 -4.90 116.55 118.26 3ml8 n ASP 884 Ca -0.03 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.22 3ml8 n ASP 884 Cb 0.50 -0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 41.07 3ml8 n ASP 884 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ml8 s ALA 885 N -2.00 2.10 0.16 2.24 0.00 -1.26 -2.53 121.76 120.48 3ml8 s ALA 885 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.60 3ml8 s ALA 885 Cb 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 3ml8 s ALA 885 CO 0.00 0.41 -0.05 0.99 0.00 0.00 0.00 175.76 177.12 3ml8 s THR 886 N -1.30 0.93 0.60 0.00 2.01 0.01 -4.94 115.64 112.96 3ml8 s THR 886 Ca 0.12 -2.01 -0.19 0.00 0.31 0.00 0.00 61.69 59.91 3ml8 s THR 886 Cb -0.09 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 3ml8 s THR 886 CO 0.06 -0.60 1.20 0.41 -0.69 0.00 0.00 174.62 175.00 3ml8 n THR 887 N -0.23 4.21 -0.09 -0.82 -1.04 -1.26 -0.44 114.28 114.60 3ml8 n THR 887 Ca -0.08 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.32 3ml8 n THR 887 Cb 0.62 -1.42 -0.04 0.00 -1.82 0.00 0.00 70.33 67.67 3ml8 n THR 887 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3ml8 h ILE 888 N 0.79 1.25 -0.58 12.58 1.08 -1.32 -2.89 117.51 128.42 3ml8 h ILE 888 Ca -0.50 -0.91 0.12 0.00 -0.39 0.00 0.00 64.86 63.18 3ml8 h ILE 888 Cb 1.34 1.31 -0.11 0.00 -3.07 0.00 0.00 36.82 36.29 3ml8 h ILE 888 CO 0.54 0.29 -0.17 0.00 -0.69 0.00 0.00 178.15 178.11 3ml8 h ALA 889 N 0.83 0.32 -0.94 1.87 0.00 -1.77 -0.03 119.26 119.53 3ml8 h ALA 889 Ca 0.08 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.31 3ml8 h ALA 889 Cb 0.42 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3ml8 h ALA 889 CO 0.01 -0.47 0.60 0.87 0.00 0.00 0.00 179.25 180.27 3ml8 h LYS 890 N -0.03 0.93 0.00 0.00 1.57 -1.86 1.66 116.57 118.84 3ml8 h LYS 890 Ca 0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3ml8 h LYS 890 Cb 0.45 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3ml8 h LYS 890 CO -0.61 0.62 0.00 0.82 -0.57 0.00 0.00 179.45 179.71 3ml8 h ILE 891 N 0.96 0.00 0.00 1.86 2.04 -0.86 0.26 117.51 121.78 3ml8 h ILE 891 Ca 0.44 -0.31 -0.11 0.00 1.00 0.00 0.00 64.86 65.88 3ml8 h ILE 891 Cb 0.40 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3ml8 h ILE 891 CO -0.20 0.00 -0.67 1.56 0.00 0.00 0.00 178.15 178.84 3ml8 h GLN 892 N 0.00 0.00 -0.28 2.37 1.08 0.17 -3.34 115.11 115.12 3ml8 h GLN 892 Ca 0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3ml8 h GLN 892 Cb 0.44 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3ml8 h GLN 892 CO 0.00 0.72 0.61 0.37 -0.95 0.00 0.00 178.83 179.57 3ml8 h GLN 893 N -1.00 0.00 0.00 1.46 -0.00 0.24 -1.63 115.11 114.18 3ml8 h GLN 893 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 3ml8 h GLN 893 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.43 3ml8 h GLN 893 CO -0.10 0.00 0.00 0.45 0.00 0.00 0.00 178.83 179.18 3ml8 n SER 894 N -3.13 0.00 -1.81 -0.69 2.88 0.90 -1.51 113.62 110.26 3ml8 n SER 894 Ca 0.05 0.89 0.05 0.00 -1.33 0.00 0.00 58.87 58.53 3ml8 n SER 894 Cb 0.72 -0.39 0.37 0.00 -0.75 0.00 0.00 64.21 64.16 3ml8 n SER 894 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ml8 n THR 895 N -1.77 2.58 0.02 2.46 -2.24 -0.94 -4.37 114.28 110.02 3ml8 n THR 895 Ca 0.00 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 3ml8 n THR 895 Cb 0.00 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3ml8 n THR 895 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ml8 n VAL 896 N 0.51 0.00 -1.41 2.28 0.31 -0.66 -5.04 118.33 114.33 3ml8 n VAL 896 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 3ml8 n VAL 896 Cb 1.15 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.69 3ml8 n VAL 896 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ml8 n GLY 897 N 0.82 -4.24 2.49 2.92 0.00 -0.57 -4.37 105.19 102.23 3ml8 n GLY 897 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 3ml8 n GLY 897 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ml8 n ASN 898 N 0.81 -0.33 -0.04 1.61 4.13 -1.26 -4.65 115.26 115.53 3ml8 n ASN 898 Ca 0.00 -0.35 -0.09 0.00 1.68 0.00 0.00 54.58 55.83 3ml8 n ASN 898 Cb 0.00 -0.44 -0.03 0.00 -1.54 0.00 0.00 39.78 37.77 3ml8 n ASN 898 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3ml8 n THR 899 N -1.60 0.84 -0.79 3.41 -1.04 -1.26 -5.02 114.28 108.82 3ml8 n THR 899 Ca 0.01 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3ml8 n THR 899 Cb 0.14 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 3ml8 n THR 899 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ml8 n GLY 900 N 2.47 0.57 2.21 3.41 0.00 -1.26 -4.94 105.19 107.65 3ml8 n GLY 900 Ca -0.15 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3ml8 n GLY 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ml8 n ALA 901 N 0.36 6.79 -1.70 4.61 0.00 -1.26 -4.91 120.51 124.39 3ml8 n ALA 901 Ca 0.00 -2.73 -0.60 0.00 0.00 0.00 0.00 53.44 50.11 3ml8 n ALA 901 Cb 0.00 -2.65 -0.08 0.00 0.00 0.00 0.00 19.45 16.72 3ml8 n ALA 901 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ml8 n PHE 902 N 2.50 1.84 -3.22 0.00 3.01 -1.26 -4.91 117.46 115.42 3ml8 n PHE 902 Ca 0.56 0.75 -0.39 0.00 1.01 0.00 0.00 57.45 59.38 3ml8 n PHE 902 Cb 0.60 -2.36 -0.06 0.00 -0.01 0.00 0.00 39.48 37.64 3ml8 n PHE 902 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3ml8 s LYS 903 N 2.90 4.21 0.00 -1.08 2.20 -1.26 -4.94 119.74 121.76 3ml8 s LYS 903 Ca 0.98 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 3ml8 s LYS 903 Cb -1.19 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 31.57 3ml8 s LYS 903 CO 0.68 -0.15 0.22 -0.25 -0.36 0.00 0.00 175.35 175.49 3ml8 n ASP 904 N 4.78 0.05 0.00 1.43 10.43 -1.26 -3.21 116.55 128.77 3ml8 n ASP 904 Ca -0.04 -0.49 0.00 0.00 2.57 0.00 0.00 54.79 56.83 3ml8 n ASP 904 Cb 0.50 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.44 3ml8 n ASP 904 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3ml8 n GLU 905 N -0.32 3.20 0.26 -1.24 2.13 -1.26 -4.32 120.64 119.09 3ml8 n GLU 905 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 3ml8 n GLU 905 Cb 0.01 -0.44 0.69 0.00 0.27 0.00 0.00 31.44 31.98 3ml8 n GLU 905 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ml8 h VAL 906 N 0.00 0.81 0.01 6.31 2.07 -1.90 -3.02 116.25 120.53 3ml8 h VAL 906 Ca 0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3ml8 h VAL 906 Cb 0.00 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3ml8 h VAL 906 CO 0.00 0.09 -0.07 0.25 0.02 0.00 0.00 177.57 177.86 3ml8 h LEU 907 N 0.00 0.04 -2.84 2.57 6.46 -1.87 0.23 115.31 119.91 3ml8 h LEU 907 Ca -0.00 -0.96 -0.00 0.00 -0.12 0.00 0.00 57.88 56.80 3ml8 h LEU 907 Cb 0.19 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3ml8 h LEU 907 CO 0.01 1.00 -0.00 -1.13 -0.62 0.00 0.00 178.44 177.70 3ml8 h ASN 908 N -0.90 0.00 0.19 1.25 -0.73 -1.83 -0.19 115.58 113.37 3ml8 h ASN 908 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 3ml8 h ASN 908 Cb 1.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.61 3ml8 h ASN 908 CO 0.01 0.00 -0.09 -0.74 -0.37 0.00 0.00 177.43 176.24 3ml8 h HIS 909 N 0.00 -0.24 -1.16 0.67 2.76 -1.35 -3.14 115.15 112.69 3ml8 h HIS 909 Ca -0.00 -0.01 0.33 0.00 -2.20 0.00 0.00 60.37 58.49 3ml8 h HIS 909 Cb 0.03 0.08 -0.09 0.00 1.55 0.00 0.00 27.41 28.99 3ml8 h HIS 909 CO 0.00 0.04 0.78 2.35 -1.30 0.00 0.00 177.93 179.80 3ml8 h TRP 910 N -1.00 0.43 -0.12 5.26 7.01 0.16 -1.17 115.95 126.52 3ml8 h TRP 910 Ca -0.03 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 3ml8 h TRP 910 Cb 0.39 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 3ml8 h TRP 910 CO 0.05 -0.01 -0.06 -0.07 -2.79 0.00 0.00 178.44 175.56 3ml8 h LEU 911 N 0.21 0.26 0.06 0.65 3.38 -1.11 -2.68 115.31 116.08 3ml8 h LEU 911 Ca 0.64 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3ml8 h LEU 911 Cb 1.99 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3ml8 h LEU 911 CO -0.23 0.62 -0.03 0.11 0.09 0.00 0.00 178.44 179.00 3ml8 h LYS 912 N -0.11 -0.07 -1.00 1.13 1.57 -1.20 -0.79 116.57 116.09 3ml8 h LYS 912 Ca 0.03 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.13 3ml8 h LYS 912 Cb 0.53 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.70 3ml8 h LYS 912 CO 0.02 0.21 0.56 1.49 -0.57 0.00 0.00 179.45 181.16 3ml8 h GLU 913 N -0.36 0.30 0.00 3.15 4.81 -1.37 0.17 114.58 121.29 3ml8 h GLU 913 Ca -0.01 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 3ml8 h GLU 913 Cb 0.32 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3ml8 h GLU 913 CO 0.01 0.20 -1.01 0.87 -0.73 0.00 0.00 179.01 178.35 3ml8 h LYS 914 N 0.31 0.00 -7.01 1.92 1.79 -1.17 -3.47 116.57 108.94 3ml8 h LYS 914 Ca 0.73 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.69 3ml8 h LYS 914 Cb 1.68 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 32.41 3ml8 h LYS 914 CO -0.61 0.34 0.52 -1.12 -1.08 0.00 0.00 179.45 177.49 3ml8 s SER 915 N -6.00 5.98 0.46 0.86 0.01 0.61 -4.91 113.70 110.70 3ml8 s SER 915 Ca 0.00 2.43 0.26 0.00 1.31 0.00 0.00 55.95 59.95 3ml8 s SER 915 Cb 0.08 -2.61 0.82 0.00 0.21 0.00 0.00 66.02 64.52 3ml8 s SER 915 CO 0.78 -1.05 1.78 1.55 0.41 0.00 0.00 173.24 176.71 3ml8 h PRO 916 N 1.97 0.00 0.00 12.44 0.13 -1.91 -3.47 132.00 141.16 3ml8 h PRO 916 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3ml8 h PRO 916 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3ml8 h PRO 916 CO 0.60 0.13 0.00 0.25 -0.23 0.00 0.00 178.00 178.74 3ml8 n THR 917 N -3.20 0.00 -0.05 1.56 -2.24 -1.26 -5.02 114.28 104.07 3ml8 n THR 917 Ca 0.01 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3ml8 n THR 917 Cb 0.45 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 3ml8 n THR 917 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3ml8 n GLU 918 N 0.00 0.89 -0.02 -0.78 0.00 -1.26 -4.49 120.64 114.98 3ml8 n GLU 918 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 57.16 57.02 3ml8 n GLU 918 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 31.44 29.96 3ml8 n GLU 918 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3ml8 h GLU 919 N 0.00 -0.07 -0.64 5.31 4.22 -1.99 -2.02 114.58 119.39 3ml8 h GLU 919 Ca -0.25 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.32 3ml8 h GLU 919 Cb 1.48 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.71 3ml8 h GLU 919 CO 0.01 0.22 0.43 0.87 -2.18 0.00 0.00 179.01 178.37 3ml8 h LYS 920 N -1.00 0.33 -0.29 1.92 1.57 -1.97 0.86 116.57 117.99 3ml8 h LYS 920 Ca -0.01 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3ml8 h LYS 920 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3ml8 h LYS 920 CO 0.01 0.22 0.20 0.35 -0.57 0.00 0.00 179.45 179.66 3ml8 h PHE 921 N 0.34 0.09 -0.48 -1.35 3.57 -1.75 0.27 116.94 117.63 3ml8 h PHE 921 Ca 0.30 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3ml8 h PHE 921 Cb 0.73 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3ml8 h PHE 921 CO -0.00 0.05 0.25 1.96 -2.23 0.00 0.00 178.31 178.34 3ml8 h GLN 922 N 0.09 0.68 -0.71 1.11 1.08 -0.06 -2.12 115.11 115.18 3ml8 h GLN 922 Ca 0.13 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3ml8 h GLN 922 Cb 0.42 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3ml8 h GLN 922 CO -0.01 0.55 0.43 0.00 -0.95 0.00 0.00 178.83 178.85 3ml8 h ALA 923 N 1.09 0.90 0.00 3.87 0.00 -0.97 0.61 119.26 124.77 3ml8 h ALA 923 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ml8 h ALA 923 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ml8 h ALA 923 CO -0.02 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3ml8 n ALA 924 N -2.32 1.71 -0.13 0.00 0.00 -0.65 0.24 120.51 119.36 3ml8 n ALA 924 Ca 0.06 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 3ml8 n ALA 924 Cb 0.05 -1.16 -0.12 0.00 0.00 0.00 0.00 19.45 18.22 3ml8 n ALA 924 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ml8 n VAL 925 N -1.20 1.49 -0.15 0.00 0.31 0.64 -4.07 118.33 115.35 3ml8 n VAL 925 Ca 0.06 -0.54 -0.09 0.00 -0.01 0.00 0.00 64.34 63.76 3ml8 n VAL 925 Cb 0.07 -1.49 -0.00 0.00 -0.91 0.00 0.00 33.84 31.50 3ml8 n VAL 925 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ml8 h GLU 926 N -0.17 0.64 0.00 5.55 4.57 0.26 -2.01 114.58 123.42 3ml8 h GLU 926 Ca -0.60 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 57.44 3ml8 h GLU 926 Cb 1.85 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.33 3ml8 h GLU 926 CO -0.15 0.59 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.07 3ml8 h ARG 927 N 0.55 0.00 0.05 1.92 2.43 0.29 -2.14 114.38 117.48 3ml8 h ARG 927 Ca 0.14 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.04 3ml8 h ARG 927 Cb 0.19 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3ml8 h ARG 927 CO -0.01 0.11 -1.10 0.35 -1.51 0.00 0.00 179.97 177.81 3ml8 h PHE 928 N 0.00 1.00 0.34 2.20 3.57 -1.56 -1.62 116.94 120.87 3ml8 h PHE 928 Ca -0.00 -0.58 -0.01 0.00 3.53 0.00 0.00 57.97 60.90 3ml8 h PHE 928 Cb 0.41 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 3ml8 h PHE 928 CO 0.00 1.42 -0.22 0.28 -2.23 0.00 0.00 178.31 177.56 3ml8 h VAL 929 N 0.30 0.00 -0.04 1.41 2.07 -0.69 0.55 116.25 119.85 3ml8 h VAL 929 Ca -0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3ml8 h VAL 929 Cb 1.77 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3ml8 h VAL 929 CO 0.21 0.00 -0.46 1.88 0.02 0.00 0.00 177.57 179.22 3ml8 h TYR 930 N -0.54 -1.37 -0.95 1.57 0.99 -1.69 -2.27 116.97 112.73 3ml8 h TYR 930 Ca -0.05 0.05 0.17 0.00 2.00 0.00 0.00 58.73 60.90 3ml8 h TYR 930 Cb 0.43 0.60 -0.17 0.00 1.00 0.00 0.00 36.73 38.60 3ml8 h TYR 930 CO -0.01 -0.49 -0.31 1.03 -0.00 0.00 0.00 178.16 178.39 3ml8 h SER 931 N -0.55 -1.14 -0.31 3.88 0.87 -1.05 0.23 113.55 115.48 3ml8 h SER 931 Ca 0.02 0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3ml8 h SER 931 Cb 0.61 0.66 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3ml8 h SER 931 CO -0.33 -0.30 0.10 0.00 -0.53 0.00 0.00 176.83 175.77 3ml8 h ALA 933 N 0.94 1.02 -0.65 0.00 0.00 -0.57 0.01 119.26 120.00 3ml8 h ALA 933 Ca 0.10 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.98 3ml8 h ALA 933 Cb 0.24 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3ml8 h ALA 933 CO -0.00 0.58 0.19 0.78 0.00 0.00 0.00 179.25 180.80 3ml8 h GLY 934 N 1.11 0.90 1.74 0.00 0.00 -0.12 -0.43 103.07 106.27 3ml8 h GLY 934 Ca 0.27 -0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.29 3ml8 h GLY 934 CO -0.03 -0.10 -1.18 -0.97 0.00 0.00 0.00 176.54 174.25 3ml8 h TYR 935 N 0.33 0.06 -0.51 5.60 -1.99 -1.23 -2.87 116.97 116.37 3ml8 h TYR 935 Ca 0.35 -0.05 0.10 0.00 2.00 0.00 0.00 58.73 61.13 3ml8 h TYR 935 Cb 0.52 -0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.16 3ml8 h TYR 935 CO -0.22 1.04 0.03 0.00 -0.00 0.00 0.00 178.16 179.02 3ml8 h VAL 937 N 0.15 1.21 -0.21 0.00 2.07 -1.13 -1.88 116.25 116.45 3ml8 h VAL 937 Ca 0.26 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 3ml8 h VAL 937 Cb 0.39 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 3ml8 h VAL 937 CO -0.40 0.34 -0.18 0.00 0.02 0.00 0.00 177.57 177.34 3ml8 h ALA 938 N -0.03 1.30 -0.33 1.67 0.00 -1.53 0.24 119.26 120.58 3ml8 h ALA 938 Ca -0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3ml8 h ALA 938 Cb 0.62 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ml8 h ALA 938 CO 0.02 0.47 -0.44 0.00 0.00 0.00 0.00 179.25 179.30 3ml8 h THR 939 N 0.34 1.28 -0.20 0.00 1.03 -0.08 -1.84 112.91 113.44 3ml8 h THR 939 Ca 0.06 -1.61 -0.03 0.00 -0.01 0.00 0.00 66.41 64.82 3ml8 h THR 939 Cb 0.52 1.51 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 3ml8 h THR 939 CO 0.03 0.53 0.01 0.15 -0.01 0.00 0.00 175.52 176.24 3ml8 h PHE 940 N 0.68 0.37 -0.91 0.00 3.57 -0.64 -1.40 116.94 118.60 3ml8 h PHE 940 Ca 0.04 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3ml8 h PHE 940 Cb 1.04 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 3ml8 h PHE 940 CO 0.07 0.52 0.55 0.28 -2.23 0.00 0.00 178.31 177.50 3ml8 h VAL 941 N 0.11 1.25 0.00 1.41 2.07 -0.49 -2.31 116.25 118.29 3ml8 h VAL 941 Ca 0.06 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3ml8 h VAL 941 Cb 0.37 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3ml8 h VAL 941 CO 0.01 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.04 3ml8 n LEU 942 N -4.36 0.43 -0.35 2.57 4.77 -0.70 -4.68 117.00 114.69 3ml8 n LEU 942 Ca 0.10 0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 56.60 3ml8 n LEU 942 Cb 0.06 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 40.74 3ml8 n LEU 942 CO 0.38 -0.12 -0.03 0.61 -1.33 0.00 0.00 177.39 176.89 3ml8 n GLY 943 N 1.29 0.28 0.81 -0.72 0.00 -0.63 -4.93 105.19 101.28 3ml8 n GLY 943 Ca 0.06 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.37 3ml8 n GLY 943 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ml8 n ILE 944 N -3.94 1.23 0.37 -0.61 -5.35 -0.63 -4.79 119.36 105.64 3ml8 n ILE 944 Ca -0.03 -2.06 0.12 0.00 -0.27 0.00 0.00 62.75 60.50 3ml8 n ILE 944 Cb 0.52 0.23 0.06 0.00 -1.74 0.00 0.00 39.64 38.72 3ml8 n ILE 944 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ml8 n GLY 945 N -0.53 -1.38 2.98 3.28 0.00 -1.10 -4.50 105.19 103.93 3ml8 n GLY 945 Ca 0.12 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3ml8 n GLY 945 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ml8 n ASP 946 N -2.31 4.44 -4.64 1.61 2.03 -1.23 -3.55 116.55 112.89 3ml8 n ASP 946 Ca 0.01 -2.92 -0.24 0.00 0.52 0.00 0.00 54.79 52.16 3ml8 n ASP 946 Cb 0.49 -1.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.18 3ml8 n ASP 946 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ml8 s ARG 947 N 2.69 2.16 0.49 -0.67 1.81 -1.26 -5.04 118.95 119.12 3ml8 s ARG 947 Ca 0.46 -1.62 -0.04 0.00 -1.72 0.00 0.00 55.73 52.81 3ml8 s ARG 947 Cb 0.10 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.55 3ml8 s ARG 947 CO -0.03 0.21 0.78 -1.01 -0.68 0.00 0.00 175.30 174.57 3ml8 s HIS 948 N -2.44 3.49 -0.10 -0.53 3.76 -1.26 -4.92 115.29 113.28 3ml8 s HIS 948 Ca 0.34 0.71 0.14 0.00 -0.15 0.00 0.00 55.06 56.10 3ml8 s HIS 948 Cb -0.03 -2.34 0.08 0.00 1.11 0.00 0.00 32.58 31.41 3ml8 s HIS 948 CO 0.20 -0.34 1.45 -0.97 -0.85 0.00 0.00 174.74 174.23 3ml8 h ASN 949 N 0.21 0.00 1.31 1.40 -0.73 -1.94 -2.66 115.58 113.17 3ml8 h ASN 949 Ca -0.47 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.65 3ml8 h ASN 949 Cb 1.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.80 3ml8 h ASN 949 CO 0.61 0.55 -0.23 -0.78 -0.37 0.00 0.00 177.43 177.21 3ml8 h ASP 950 N 0.00 0.00 -0.16 1.15 3.58 -1.96 -2.98 116.42 116.05 3ml8 h ASP 950 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3ml8 h ASP 950 Cb 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 3ml8 h ASP 950 CO 0.07 0.23 0.00 0.59 -2.88 0.00 0.00 179.24 177.25 3ml8 n ASN 951 N -3.25 1.20 -4.51 2.28 5.03 -1.00 -4.75 115.26 110.25 3ml8 n ASN 951 Ca 0.01 -1.75 -0.31 0.00 0.87 0.00 0.00 54.58 53.40 3ml8 n ASN 951 Cb 0.52 -0.10 -0.12 0.00 -1.02 0.00 0.00 39.78 39.06 3ml8 n ASN 951 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ml8 s ILE 952 N -1.79 3.09 0.21 2.41 1.01 -1.19 -2.40 121.20 122.54 3ml8 s ILE 952 Ca 0.26 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3ml8 s ILE 952 Cb 0.13 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 3ml8 s ILE 952 CO 0.20 0.34 -0.01 -0.04 0.00 0.00 0.00 174.94 175.43 3ml8 s MET 953 N -1.48 1.26 0.15 2.79 -1.94 -0.83 -1.32 119.30 117.93 3ml8 s MET 953 Ca 0.16 -1.63 -0.10 0.00 -1.71 0.00 0.00 55.69 52.41 3ml8 s MET 953 Cb -0.11 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.22 3ml8 s MET 953 CO 0.07 -0.10 0.30 -1.50 -0.01 0.00 0.00 175.02 173.78 3ml8 s ILE 954 N -3.49 0.08 0.07 2.53 2.07 0.42 -1.55 121.20 121.32 3ml8 s ILE 954 Ca 0.27 -1.21 0.07 0.00 -1.41 0.00 0.00 60.65 58.37 3ml8 s ILE 954 Cb 0.06 -1.66 -0.04 0.00 0.13 0.00 0.00 42.46 40.95 3ml8 s ILE 954 CO 0.07 -0.35 -0.14 0.42 -1.91 0.00 0.00 174.94 173.04 3ml8 s THR 955 N -3.92 3.11 -1.02 4.00 -4.23 -0.47 -0.81 115.64 112.29 3ml8 s THR 955 Ca 0.13 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3ml8 s THR 955 Cb 0.03 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3ml8 s THR 955 CO -0.03 0.22 0.63 -0.62 -0.54 0.00 0.00 174.62 174.28 3ml8 n GLU 956 N 1.12 0.00 -0.16 3.99 1.02 -1.05 0.14 120.64 125.70 3ml8 n GLU 956 Ca -0.15 0.20 0.08 0.00 -0.02 0.00 0.00 57.16 57.27 3ml8 n GLU 956 Cb 0.52 -1.58 0.15 0.00 -0.02 0.00 0.00 31.44 30.51 3ml8 n GLU 956 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3ml8 n THR 957 N -1.13 1.81 0.00 2.62 5.66 -1.26 -4.55 114.28 117.43 3ml8 n THR 957 Ca 0.00 -1.92 0.00 0.00 -3.05 0.00 0.00 64.05 59.08 3ml8 n THR 957 Cb 0.08 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 3ml8 n THR 957 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ml8 n GLY 958 N -0.96 2.92 3.72 1.09 0.00 0.38 -4.45 105.19 107.88 3ml8 n GLY 958 Ca 0.15 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3ml8 n GLY 958 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ml8 s ASN 959 N 0.09 6.85 0.26 1.61 3.84 -1.26 -4.01 114.94 122.33 3ml8 s ASN 959 Ca 0.00 2.30 0.09 0.00 0.21 0.00 0.00 52.86 55.46 3ml8 s ASN 959 Cb 0.00 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 38.07 3ml8 s ASN 959 CO 0.00 -0.63 0.05 -0.22 -2.79 0.00 0.00 177.10 173.51 3ml8 s LEU 960 N 1.02 3.36 -0.29 3.21 2.96 -1.26 -1.37 118.68 126.30 3ml8 s LEU 960 Ca 0.63 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.83 3ml8 s LEU 960 Cb -0.36 -1.88 0.18 0.00 0.50 0.00 0.00 46.19 44.63 3ml8 s LEU 960 CO 0.31 -0.01 1.13 0.72 -1.32 0.00 0.00 176.35 177.17 3ml8 s PHE 961 N -2.28 -0.30 1.18 5.38 -0.12 -0.60 -4.52 117.98 116.72 3ml8 s PHE 961 Ca 0.32 0.61 -0.17 0.00 -0.05 0.00 0.00 56.93 57.64 3ml8 s PHE 961 Cb -0.07 0.19 0.27 0.00 -0.63 0.00 0.00 43.02 42.79 3ml8 s PHE 961 CO 0.21 -0.15 1.07 -1.01 -0.05 0.00 0.00 175.22 175.29 3ml8 s HIS 962 N 1.14 0.84 0.28 3.49 3.76 -1.26 -1.96 115.29 121.58 3ml8 s HIS 962 Ca -0.08 0.70 -0.19 0.00 -0.15 0.00 0.00 55.06 55.34 3ml8 s HIS 962 Cb -0.03 -3.29 0.02 0.00 1.11 0.00 0.00 32.58 30.39 3ml8 s HIS 962 CO -0.12 -3.80 0.69 0.96 -0.85 0.00 0.00 174.74 171.62 3ml8 s ILE 963 N -2.83 0.00 -1.15 0.60 -4.36 -1.01 -4.84 121.20 107.61 3ml8 s ILE 963 Ca 0.69 -1.06 -0.21 0.00 -0.26 0.00 0.00 60.65 59.81 3ml8 s ILE 963 Cb -0.14 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.46 3ml8 s ILE 963 CO 0.58 0.00 0.78 -0.67 0.24 0.00 0.00 174.94 175.87 3ml8 n ASP 964 N -0.53 -5.10 0.06 4.36 -0.08 -1.26 -4.82 116.55 109.18 3ml8 n ASP 964 Ca -0.04 -1.04 0.13 0.00 -1.51 0.00 0.00 54.79 52.34 3ml8 n ASP 964 Cb 0.59 -3.26 0.48 0.00 2.34 0.00 0.00 41.12 41.27 3ml8 n ASP 964 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ml8 n PHE 965 N -4.25 0.57 -0.13 -0.67 3.01 -1.26 -3.02 117.46 111.70 3ml8 n PHE 965 Ca -0.10 0.16 -0.05 0.00 1.01 0.00 0.00 57.45 58.47 3ml8 n PHE 965 Cb 0.59 -0.76 0.01 0.00 -0.01 0.00 0.00 39.48 39.31 3ml8 n PHE 965 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3ml8 h GLY 966 N 4.71 0.08 0.00 1.37 0.00 -1.88 -3.37 103.07 103.98 3ml8 h GLY 966 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3ml8 h GLY 966 CO 0.00 -0.21 0.00 1.57 0.00 0.00 0.00 176.54 177.90 3ml8 n HIS 967 N -5.39 0.00 0.00 5.60 -0.00 -1.17 -0.72 115.22 113.54 3ml8 n HIS 967 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 3ml8 n HIS 967 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 3ml8 n HIS 967 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 3ml8 n ILE 968 N 0.00 0.00 0.00 3.57 -5.35 -1.26 0.20 119.36 116.52 3ml8 n ILE 968 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3ml8 n ILE 968 Cb 0.00 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 3ml8 n ILE 968 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ml8 n LEU 969 N 0.00 0.00 -0.18 7.28 4.77 -1.26 -0.28 117.00 127.33 3ml8 n LEU 969 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3ml8 n LEU 969 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3ml8 n LEU 969 CO 0.00 0.00 0.23 0.61 -1.33 0.00 0.00 177.39 176.90 3ml8 n GLY 970 N -0.40 -0.39 0.00 -0.72 0.00 0.53 -4.75 105.19 99.46 3ml8 n GLY 970 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3ml8 n GLY 970 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ml8 n ASN 971 N -0.13 0.00 -2.42 1.61 0.23 0.70 -4.89 115.26 110.37 3ml8 n ASN 971 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 3ml8 n ASN 971 Cb 0.14 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 3ml8 n ASN 971 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ml8 n TYR 972 N 0.00 -2.95 -3.44 -2.53 -0.00 0.62 -5.06 117.16 103.80 3ml8 n TYR 972 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.73 3ml8 n TYR 972 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 39.34 39.43 3ml8 n TYR 972 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3ml8 n GLU 981 N -1.03 -6.58 -3.71 2.98 -0.58 -1.26 -4.82 120.64 105.64 3ml8 n GLU 981 Ca 0.00 0.84 -0.10 0.00 -0.42 0.00 0.00 57.16 57.49 3ml8 n GLU 981 Cb 0.00 -5.85 -0.03 0.00 -0.57 0.00 0.00 31.44 24.98 3ml8 n GLU 981 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3ml8 s ARG 982 N -5.37 1.39 -0.00 3.49 0.52 -1.26 -5.07 118.95 112.65 3ml8 s ARG 982 Ca 0.00 -0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 54.33 3ml8 s ARG 982 Cb -0.00 0.53 -0.00 0.00 0.52 0.00 0.00 34.95 36.00 3ml8 s ARG 982 CO 0.73 -0.59 0.10 0.54 0.02 0.00 0.00 175.30 176.10 3ml8 s VAL 983 N -3.86 0.08 0.02 3.52 0.11 -1.26 -5.05 120.40 113.95 3ml8 s VAL 983 Ca 0.08 -0.64 -0.23 0.00 -2.93 0.00 0.00 61.98 58.27 3ml8 s VAL 983 Cb -0.01 -0.36 -0.13 0.00 -1.53 0.00 0.00 36.38 34.35 3ml8 s VAL 983 CO -0.03 -0.35 1.10 1.55 -3.33 0.00 0.00 175.10 174.03 3ml8 h PRO 984 N 4.60 -0.80 0.00 1.54 0.13 -1.90 -3.38 132.00 132.20 3ml8 h PRO 984 Ca -0.30 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3ml8 h PRO 984 Cb 1.20 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3ml8 h PRO 984 CO 0.41 -0.53 0.00 1.97 -0.23 0.00 0.00 178.00 179.62 3ml8 n PHE 985 N -4.77 0.00 -3.51 1.56 1.16 -1.26 -3.50 117.46 107.14 3ml8 n PHE 985 Ca -0.10 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.22 3ml8 n PHE 985 Cb 0.33 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.06 3ml8 n PHE 985 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3ml8 s VAL 986 N 3.85 -0.15 -0.63 1.97 1.01 -1.23 -4.52 120.40 120.70 3ml8 s VAL 986 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3ml8 s VAL 986 Cb 0.00 -0.94 0.18 0.00 0.00 0.00 0.00 36.38 35.63 3ml8 s VAL 986 CO 0.00 -0.62 0.51 -0.11 0.00 0.00 0.00 175.10 174.88 3ml8 n LEU 987 N 5.27 2.37 -4.86 3.92 7.94 -1.26 -4.95 117.00 125.43 3ml8 n LEU 987 Ca -0.05 -5.07 -0.30 0.00 -1.11 0.00 0.00 56.01 49.47 3ml8 n LEU 987 Cb 0.44 -0.44 0.05 0.00 0.53 0.00 0.00 43.42 44.00 3ml8 n LEU 987 CO 0.04 1.83 0.74 0.42 -1.11 0.00 0.00 177.39 179.31 3ml8 s THR 988 N -1.33 3.57 0.60 1.96 -4.23 -1.26 -4.63 115.64 110.31 3ml8 s THR 988 Ca 0.29 0.51 0.30 0.00 -1.18 0.00 0.00 61.69 61.61 3ml8 s THR 988 Cb 0.01 -3.42 0.36 0.00 1.34 0.00 0.00 72.50 70.79 3ml8 s THR 988 CO -0.15 -0.66 2.06 -0.65 -0.54 0.00 0.00 174.62 174.67 3ml8 h PRO 989 N -0.73 0.00 0.29 3.99 0.11 -1.93 0.19 132.00 133.92 3ml8 h PRO 989 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3ml8 h PRO 989 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3ml8 h PRO 989 CO 0.62 0.00 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.83 3ml8 h ASP 990 N 0.00 -0.33 -0.35 -2.05 3.45 -1.89 0.40 116.42 115.65 3ml8 h ASP 990 Ca 0.10 -0.07 -0.15 0.00 0.43 0.00 0.00 57.03 57.34 3ml8 h ASP 990 Cb 0.62 0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.47 3ml8 h ASP 990 CO -0.00 -0.14 -0.38 -0.26 -1.57 0.00 0.00 179.24 176.89 3ml8 h PHE 991 N -0.50 1.06 -0.17 4.55 0.04 -1.04 -1.56 116.94 119.32 3ml8 h PHE 991 Ca -0.04 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3ml8 h PHE 991 Cb 0.38 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3ml8 h PHE 991 CO -0.03 1.14 0.10 -0.07 -0.60 0.00 0.00 178.31 178.86 3ml8 h LEU 992 N 0.68 0.17 -1.19 1.54 3.38 -1.17 -2.17 115.31 116.56 3ml8 h LEU 992 Ca 0.05 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3ml8 h LEU 992 Cb 0.98 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 3ml8 h LEU 992 CO 0.09 0.13 0.58 0.15 0.09 0.00 0.00 178.44 179.48 3ml8 h PHE 993 N 0.21 0.96 -0.08 1.13 3.57 0.06 0.68 116.94 123.47 3ml8 h PHE 993 Ca 0.06 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3ml8 h PHE 993 Cb -0.02 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 3ml8 h PHE 993 CO -0.07 0.43 -0.20 0.28 -2.23 0.00 0.00 178.31 176.51 3ml8 h VAL 994 N 0.88 1.19 0.00 1.41 2.07 -0.93 -2.66 116.25 118.21 3ml8 h VAL 994 Ca 0.43 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3ml8 h VAL 994 Cb 0.45 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3ml8 h VAL 994 CO -0.19 0.26 -0.12 0.23 0.02 0.00 0.00 177.57 177.77 3ml8 n MET 995 N -4.24 0.17 0.00 1.57 2.81 0.22 -4.91 117.12 112.75 3ml8 n MET 995 Ca -0.01 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3ml8 n MET 995 Cb 0.30 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 3ml8 n MET 995 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ml8 n GLY 996 N 1.38 2.16 3.78 3.03 0.00 -0.49 -3.67 105.19 111.39 3ml8 n GLY 996 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3ml8 n GLY 996 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ml8 s THR 997 N -2.13 3.81 0.01 2.61 2.01 -1.12 -4.60 115.64 116.23 3ml8 s THR 997 Ca 0.00 1.41 0.01 0.00 0.31 0.00 0.00 61.69 63.42 3ml8 s THR 997 Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.76 3ml8 s THR 997 CO 0.00 0.03 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.38 3ml8 s SER 998 N -1.56 0.40 0.55 3.53 0.15 -1.26 -3.40 113.70 112.10 3ml8 s SER 998 Ca 0.56 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.04 3ml8 s SER 998 Cb -0.21 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 3ml8 s SER 998 CO 0.27 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.28 3ml8 n GLY 999 N 2.63 2.74 1.14 9.45 0.00 -1.26 -1.06 105.19 118.83 3ml8 n GLY 999 Ca -0.15 0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3ml8 n GLY 999 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ml8 n LYS 1000N 14.00 2.43 -1.79 1.61 0.00 -1.26 -4.92 118.16 128.24 3ml8 n LYS 1000Ca 0.00 -2.23 -0.30 0.00 -0.00 0.00 0.00 58.31 55.79 3ml8 n LYS 1000Cb 0.00 -1.48 0.17 0.00 -0.00 0.00 0.00 35.03 33.72 3ml8 n LYS 1000CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3ml8 s LYS 1001N -1.19 0.70 -0.47 -1.58 2.20 -0.22 -5.07 119.74 114.11 3ml8 s LYS 1001Ca 0.41 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.87 3ml8 s LYS 1001Cb 0.22 -1.83 0.18 0.00 -1.51 0.00 0.00 37.83 34.89 3ml8 s LYS 1001CO 0.28 -2.40 0.58 2.41 -0.36 0.00 0.00 175.35 175.86 3ml8 n THR 1002N -3.81 -0.49 -0.47 3.43 -1.04 -1.26 -4.55 114.28 106.09 3ml8 n THR 1002Ca 0.13 -1.99 -0.28 0.00 -2.04 0.00 0.00 64.05 59.87 3ml8 n THR 1002Cb 0.60 -0.06 0.23 0.00 -1.82 0.00 0.00 70.33 69.28 3ml8 n THR 1002CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3ml8 n SER 1003N 2.85 -2.79 -0.01 8.00 3.41 -1.26 -4.84 113.62 118.98 3ml8 n SER 1003Ca 0.22 -0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 3ml8 n SER 1003Cb 0.53 -1.02 -0.10 0.00 -0.26 0.00 0.00 64.21 63.36 3ml8 n SER 1003CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3ml8 h PRO 1004N -2.78 -0.01 -1.05 4.33 0.13 -1.95 -3.09 132.00 127.59 3ml8 h PRO 1004Ca -0.49 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.92 3ml8 h PRO 1004Cb 1.25 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 3ml8 h PRO 1004CO 0.34 0.52 0.66 0.45 -0.23 0.00 0.00 178.00 179.74 3ml8 h HIS 1005N -0.55 0.73 -0.17 1.56 3.86 -1.94 0.38 115.15 119.02 3ml8 h HIS 1005Ca -0.00 0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 59.03 3ml8 h HIS 1005Cb 0.53 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3ml8 h HIS 1005CO 0.11 0.05 -0.71 0.35 0.86 0.00 0.00 177.93 178.59 3ml8 h PHE 1006N 0.42 0.97 -0.15 2.45 3.57 -1.65 0.13 116.94 122.68 3ml8 h PHE 1006Ca 0.62 -0.41 0.04 0.00 3.53 0.00 0.00 57.97 61.75 3ml8 h PHE 1006Cb 1.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 3ml8 h PHE 1006CO -0.00 1.22 0.11 1.96 -2.23 0.00 0.00 178.31 179.36 3ml8 h GLN 1007N 0.52 0.02 0.35 1.11 4.20 -0.25 0.16 115.11 121.23 3ml8 h GLN 1007Ca -0.03 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3ml8 h GLN 1007Cb 1.32 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3ml8 h GLN 1007CO 0.14 0.02 -0.17 -0.22 -0.67 0.00 0.00 178.83 177.93 3ml8 h LYS 1008N 0.02 -0.45 -0.64 1.46 3.64 -0.65 -1.82 116.57 118.13 3ml8 h LYS 1008Ca 0.07 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 3ml8 h LYS 1008Cb 0.26 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.07 3ml8 h LYS 1008CO -0.00 -0.30 -0.20 0.34 -2.27 0.00 0.00 179.45 177.01 3ml8 n PHE 1009N -4.70 0.14 0.16 1.91 7.35 0.00 0.82 117.46 123.13 3ml8 n PHE 1009Ca -0.06 0.78 -0.14 0.00 -0.76 0.00 0.00 57.45 57.27 3ml8 n PHE 1009Cb 0.19 -0.81 -0.08 0.00 0.35 0.00 0.00 39.48 39.13 3ml8 n PHE 1009CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 3ml8 h GLN 1010N 0.00 -0.31 0.00 -4.13 4.20 -0.68 0.11 115.11 114.30 3ml8 h GLN 1010Ca 0.27 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3ml8 h GLN 1010Cb 0.43 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3ml8 h GLN 1010CO -0.65 -0.21 0.00 0.22 -0.67 0.00 0.00 178.83 177.52 3ml8 h ASP 1011N -0.33 0.00 0.04 1.46 3.58 0.13 -0.17 116.42 121.14 3ml8 h ASP 1011Ca -0.03 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.23 3ml8 h ASP 1011Cb 0.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3ml8 h ASP 1011CO 0.04 0.00 -1.02 0.40 -2.88 0.00 0.00 179.24 175.79 3ml8 h ILE 1012N 0.00 1.17 0.00 2.25 2.04 -0.11 -3.04 117.51 119.82 3ml8 h ILE 1012Ca 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 3ml8 h ILE 1012Cb 0.17 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3ml8 h ILE 1012CO 0.00 0.53 0.02 0.00 0.00 0.00 0.00 178.15 178.70 3ml8 n VAL 1014N -1.37 0.88 0.06 0.00 0.31 -0.57 -3.00 118.33 114.64 3ml8 n VAL 1014Ca 0.00 -0.36 -0.07 0.00 -0.01 0.00 0.00 64.34 63.90 3ml8 n VAL 1014Cb 0.02 -1.00 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 3ml8 n VAL 1014CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3ml8 h LYS 1015N 0.00 0.33 -0.00 5.55 1.57 -1.36 -2.45 116.57 120.21 3ml8 h LYS 1015Ca -0.34 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 3ml8 h LYS 1015Cb 1.56 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.91 3ml8 h LYS 1015CO -0.04 0.87 -0.00 0.00 -0.57 0.00 0.00 179.45 179.70 3ml8 h ALA 1016N 1.07 0.00 -0.86 3.86 0.00 -1.29 -0.60 119.26 121.44 3ml8 h ALA 1016Ca -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3ml8 h ALA 1016Cb 1.19 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3ml8 h ALA 1016CO 0.11 -0.17 0.56 -0.92 0.00 0.00 0.00 179.25 178.82 3ml8 h TYR 1017N -0.64 1.04 -0.26 0.00 3.20 -1.60 -2.07 116.97 116.64 3ml8 h TYR 1017Ca -0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 3ml8 h TYR 1017Cb 0.65 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 3ml8 h TYR 1017CO 0.15 0.60 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.98 3ml8 h LEU 1018N 1.08 0.64 -0.80 2.82 3.38 -1.47 -2.95 115.31 118.00 3ml8 h LEU 1018Ca 0.35 -0.46 0.16 0.00 0.09 0.00 0.00 57.88 58.02 3ml8 h LEU 1018Cb 0.01 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.43 3ml8 h LEU 1018CO -0.12 0.96 -0.20 0.00 0.09 0.00 0.00 178.44 179.17 3ml8 h ALA 1019N 0.70 0.52 -0.04 1.53 0.00 -0.69 0.64 119.26 121.91 3ml8 h ALA 1019Ca 0.05 0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 3ml8 h ALA 1019Cb 0.77 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3ml8 h ALA 1019CO 0.06 -0.41 -0.30 -0.07 0.00 0.00 0.00 179.25 178.53 3ml8 h LEU 1020N -0.00 0.08 -1.03 0.00 3.38 -1.26 -2.16 115.31 114.32 3ml8 h LEU 1020Ca 0.38 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.24 3ml8 h LEU 1020Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ml8 h LEU 1020CO -0.83 0.38 -0.43 0.03 0.09 0.00 0.00 178.44 177.68 3ml8 h ARG 1021N 0.07 0.00 0.00 1.13 3.08 -0.74 0.23 114.38 118.15 3ml8 h ARG 1021Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ml8 h ARG 1021Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3ml8 h ARG 1021CO 0.04 0.43 0.00 0.72 -1.07 0.00 0.00 179.97 180.09 3ml8 n HIS 1022N -3.75 0.00 -2.08 3.04 8.25 -0.68 -1.44 115.22 118.56 3ml8 n HIS 1022Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3ml8 n HIS 1022Cb 0.50 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 3ml8 n HIS 1022CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ml8 n HIS 1023N -0.67 0.00 -0.20 4.41 8.25 0.80 -4.93 115.22 122.88 3ml8 n HIS 1023Ca 0.00 -0.11 -0.01 0.00 -0.26 0.00 0.00 57.72 57.35 3ml8 n HIS 1023Cb 0.00 0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.16 3ml8 n HIS 1023CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3ml8 n THR 1024N 0.08 -0.28 0.11 1.59 -1.04 -0.52 -1.06 114.28 113.15 3ml8 n THR 1024Ca -0.01 1.21 -0.13 0.00 -2.04 0.00 0.00 64.05 63.08 3ml8 n THR 1024Cb 0.72 -1.60 -0.07 0.00 -1.82 0.00 0.00 70.33 67.57 3ml8 n THR 1024CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3ml8 h ASN 1025N 0.00 -0.15 -0.06 8.00 4.21 -1.91 -0.07 115.58 125.59 3ml8 h ASN 1025Ca 0.18 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.72 3ml8 h ASN 1025Cb 0.30 0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.50 3ml8 h ASN 1025CO -0.51 -0.11 -0.17 0.25 -1.29 0.00 0.00 177.43 175.60 3ml8 h LEU 1026N -0.18 -0.51 -0.63 1.61 6.46 -1.40 -1.98 115.31 118.69 3ml8 h LEU 1026Ca -0.02 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.77 3ml8 h LEU 1026Cb 0.14 0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 3ml8 h LEU 1026CO 0.03 -0.22 0.17 -0.07 -0.62 0.00 0.00 178.44 177.73 3ml8 h LEU 1027N -0.24 0.94 -1.69 2.25 3.38 -1.24 0.09 115.31 118.79 3ml8 h LEU 1027Ca 0.07 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3ml8 h LEU 1027Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3ml8 h LEU 1027CO -0.21 0.92 0.24 0.40 0.09 0.00 0.00 178.44 179.88 3ml8 h ILE 1028N 0.91 1.04 0.19 1.22 2.04 -0.80 0.44 117.51 122.56 3ml8 h ILE 1028Ca 0.20 -0.14 -0.33 0.00 1.00 0.00 0.00 64.86 65.59 3ml8 h ILE 1028Cb 0.33 0.60 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3ml8 h ILE 1028CO -0.00 0.07 -1.62 -0.29 0.00 0.00 0.00 178.15 176.32 3ml8 h ILE 1029N 0.41 1.04 -0.37 -0.67 6.09 -0.57 -1.09 117.51 122.35 3ml8 h ILE 1029Ca 0.14 -2.53 0.05 0.00 -1.37 0.00 0.00 64.86 61.16 3ml8 h ILE 1029Cb 0.08 2.83 -0.05 0.00 0.47 0.00 0.00 36.82 40.15 3ml8 h ILE 1029CO -0.03 0.82 0.08 -0.07 -3.07 0.00 0.00 178.15 175.88 3ml8 h LEU 1030N 0.04 0.03 -0.95 2.19 3.38 -0.82 -0.63 115.31 118.55 3ml8 h LEU 1030Ca -0.31 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 3ml8 h LEU 1030Cb 2.05 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 3ml8 h LEU 1030CO 0.18 0.05 -0.49 0.15 0.09 0.00 0.00 178.44 178.42 3ml8 h PHE 1031N 0.21 0.09 0.00 1.13 3.57 -0.15 -0.67 116.94 121.12 3ml8 h PHE 1031Ca 0.17 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 3ml8 h PHE 1031Cb 0.20 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3ml8 h PHE 1031CO -0.18 0.55 -0.72 1.03 -2.23 0.00 0.00 178.31 176.76 3ml8 h SER 1032N 0.06 0.00 0.80 0.41 0.87 -0.84 -2.54 113.55 112.31 3ml8 h SER 1032Ca -0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.32 3ml8 h SER 1032Cb 0.90 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 3ml8 h SER 1032CO 0.07 0.72 -1.18 0.24 -0.53 0.00 0.00 176.83 176.14 3ml8 h MET 1033N 0.00 0.10 -0.25 2.24 2.86 -0.83 -3.24 114.93 115.80 3ml8 h MET 1033Ca -0.01 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3ml8 h MET 1033Cb 1.55 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 3ml8 h MET 1033CO 0.09 1.02 0.16 1.98 1.06 0.00 0.00 176.91 181.23 3ml8 h MET 1034N 0.03 0.33 0.00 1.72 -1.53 -1.03 -2.19 114.93 112.25 3ml8 h MET 1034Ca -0.09 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.12 3ml8 h MET 1034Cb 1.87 -0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 32.84 3ml8 h MET 1034CO 0.15 0.22 -0.14 -0.07 0.14 0.00 0.00 176.91 177.20 3ml8 h LEU 1035N 0.34 0.00 0.02 3.39 3.38 -1.51 -0.06 115.31 120.86 3ml8 h LEU 1035Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 3ml8 h LEU 1035Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3ml8 h LEU 1035CO -0.02 0.14 -1.50 0.24 0.09 0.00 0.00 178.44 177.39 3ml8 h MET 1036N 0.00 0.04 -0.01 1.13 2.86 -1.52 -3.17 114.93 114.26 3ml8 h MET 1036Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3ml8 h MET 1036Cb 0.27 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3ml8 h MET 1036CO 0.02 0.73 -0.37 0.25 1.06 0.00 0.00 176.91 178.60 3ml8 n THR 1037N -3.19 0.00 0.00 2.22 -2.24 -0.85 -1.40 114.28 108.82 3ml8 n THR 1037Ca -0.13 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3ml8 n THR 1037Cb 1.02 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 70.36 3ml8 n THR 1037CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ml8 n GLY 1038N 1.11 0.00 3.13 3.38 0.00 -0.06 -4.98 105.19 107.77 3ml8 n GLY 1038Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3ml8 n GLY 1038CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ml8 s MET 1039N -0.57 2.35 0.17 1.61 1.00 -1.19 -4.63 119.30 118.04 3ml8 s MET 1039Ca 0.00 -2.12 -0.31 0.00 0.00 0.00 0.00 55.69 53.26 3ml8 s MET 1039Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 34.83 31.02 3ml8 s MET 1039CO 0.00 -1.14 1.38 -1.25 0.00 0.00 0.00 175.02 174.01 3ml8 s PRO 1040N 0.65 4.33 0.00 2.03 0.04 -1.26 -3.38 135.00 137.41 3ml8 s PRO 1040Ca 0.12 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3ml8 s PRO 1040Cb -0.22 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.12 3ml8 s PRO 1040CO -0.04 -0.38 0.00 1.04 0.04 0.00 0.00 177.00 177.67 3ml8 n GLN 1041N 3.21 0.00 -2.63 4.56 6.02 -1.26 -4.82 117.38 122.47 3ml8 n GLN 1041Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.67 3ml8 n GLN 1041Cb 0.42 -1.64 0.02 0.00 1.02 0.00 0.00 30.24 30.06 3ml8 n GLN 1041CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3ml8 n LEU 1042N 0.00 7.34 0.00 1.08 0.00 -1.22 -4.65 117.00 119.55 3ml8 n LEU 1042Ca 0.00 -5.35 0.00 0.00 0.00 0.00 0.00 56.01 50.66 3ml8 n LEU 1042Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.23 3ml8 n LEU 1042CO 0.00 2.02 0.00 0.41 0.00 0.00 0.00 177.39 179.82 3ml8 n THR 1043N 0.15 0.00 0.00 1.96 -1.04 -1.26 -4.91 114.28 109.17 3ml8 n THR 1043Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 3ml8 n THR 1043Cb 0.26 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 3ml8 n THR 1043CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3ml8 n SER 1044N -0.98 0.00 0.00 8.00 3.41 -1.26 -2.62 113.62 120.18 3ml8 n SER 1044Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ml8 n SER 1044Cb 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3ml8 n SER 1044CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ml8 n LYS 1045N -0.79 0.00 0.29 4.33 3.00 -1.26 -4.72 118.16 119.01 3ml8 n LYS 1045Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 3ml8 n LYS 1045Cb 0.00 0.00 0.96 0.00 0.00 0.00 0.00 35.03 35.99 3ml8 n LYS 1045CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3ml8 h GLU 1046N 0.00 0.00 0.13 1.64 3.07 -2.00 1.13 114.58 118.55 3ml8 h GLU 1046Ca 0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.55 3ml8 h GLU 1046Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3ml8 h GLU 1046CO 0.00 0.00 -1.50 -0.44 -1.40 0.00 0.00 179.01 175.67 3ml8 h ASP 1047N 0.00 0.44 -0.37 1.42 3.32 -1.79 -3.37 116.42 116.07 3ml8 h ASP 1047Ca 0.00 -0.57 -0.11 0.00 0.02 0.00 0.00 57.03 56.37 3ml8 h ASP 1047Cb 0.15 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3ml8 h ASP 1047CO 0.00 1.47 -0.15 0.40 -1.72 0.00 0.00 179.24 179.24 3ml8 h ILE 1048N 0.08 1.26 0.00 0.35 2.04 0.98 -2.81 117.51 119.41 3ml8 h ILE 1048Ca -0.23 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 3ml8 h ILE 1048Cb 2.02 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3ml8 h ILE 1048CO 0.18 0.43 -0.05 -0.33 0.00 0.00 0.00 178.15 178.37 3ml8 h GLU 1049N 0.74 0.00 -0.72 2.37 5.08 -0.79 -3.08 114.58 118.18 3ml8 h GLU 1049Ca 0.12 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.64 3ml8 h GLU 1049Cb 0.66 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.79 3ml8 h GLU 1049CO 0.05 0.05 0.03 -0.92 -1.00 0.00 0.00 179.01 177.22 3ml8 h TYR 1050N 0.00 -0.00 0.00 4.33 3.20 -1.65 0.23 116.97 123.08 3ml8 h TYR 1050Ca -0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3ml8 h TYR 1050Cb 0.25 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3ml8 h TYR 1050CO 0.00 -0.20 -0.02 0.97 -1.64 0.00 0.00 178.16 177.27 3ml8 h ILE 1051N 0.13 0.10 0.46 1.81 2.10 -1.75 -1.05 117.51 119.32 3ml8 h ILE 1051Ca 0.39 -0.29 -0.02 0.00 1.08 0.00 0.00 64.86 66.02 3ml8 h ILE 1051Cb 0.68 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.67 3ml8 h ILE 1051CO -0.61 0.02 -0.22 -0.09 -1.08 0.00 0.00 178.15 176.17 3ml8 h ARG 1052N 0.00 -0.60 -0.50 2.19 2.43 -0.73 -2.19 114.38 114.98 3ml8 h ARG 1052Ca -0.00 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3ml8 h ARG 1052Cb 0.26 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 3ml8 h ARG 1052CO 0.00 -0.30 0.17 -0.44 -1.51 0.00 0.00 179.97 177.89 3ml8 h ASP 1053N -0.86 0.16 -0.70 -3.80 3.32 -1.17 -0.67 116.42 112.70 3ml8 h ASP 1053Ca -0.06 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3ml8 h ASP 1053Cb 0.57 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 3ml8 h ASP 1053CO 0.10 0.12 0.30 0.00 -1.72 0.00 0.00 179.24 178.05 3ml8 h ALA 1054N 1.34 0.91 -0.00 3.45 0.00 -1.31 -0.85 119.26 122.80 3ml8 h ALA 1054Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ml8 h ALA 1054Cb 0.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ml8 h ALA 1054CO -0.25 0.52 -0.18 1.28 0.00 0.00 0.00 179.25 180.62 3ml8 n LEU 1055N -4.39 0.36 -2.46 0.00 4.77 -0.83 -4.91 117.00 109.54 3ml8 n LEU 1055Ca 0.06 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 3ml8 n LEU 1055Cb 0.16 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3ml8 n LEU 1055CO 0.39 0.07 0.12 1.07 -1.33 0.00 0.00 177.39 177.72 3ml8 n THR 1056N -1.23 -2.65 -1.79 -5.08 5.66 -0.28 -4.88 114.28 104.03 3ml8 n THR 1056Ca 0.10 -0.13 -0.39 0.00 -3.05 0.00 0.00 64.05 60.58 3ml8 n THR 1056Cb 0.31 -3.48 0.03 0.00 -1.55 0.00 0.00 70.33 65.64 3ml8 n THR 1056CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ml8 s VAL 1057N -3.21 2.07 0.00 1.08 0.11 -1.17 -2.52 120.40 116.77 3ml8 s VAL 1057Ca 0.21 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3ml8 s VAL 1057Cb -0.09 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 3ml8 s VAL 1057CO 0.45 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 3ml8 n GLY 1058N 0.63 2.69 3.72 6.54 0.00 -1.26 -4.97 105.19 112.54 3ml8 n GLY 1058Ca 0.07 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3ml8 n GLY 1058CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ml8 s LYS 1059N 0.00 1.82 0.58 1.61 -0.14 -1.05 -5.04 119.74 117.53 3ml8 s LYS 1059Ca 0.00 1.48 -0.04 0.00 -1.36 0.00 0.00 55.97 56.05 3ml8 s LYS 1059Cb 0.00 -1.82 0.02 0.00 -1.68 0.00 0.00 37.83 34.34 3ml8 s LYS 1059CO 0.00 -2.02 0.87 0.54 -0.76 0.00 0.00 175.35 173.98 3ml8 s ASN 1060N -2.69 5.48 0.18 2.83 2.20 -1.26 -4.90 114.94 116.77 3ml8 s ASN 1060Ca 0.67 0.55 -0.14 0.00 -0.94 0.00 0.00 52.86 53.01 3ml8 s ASN 1060Cb -0.23 -1.52 0.15 0.00 -2.00 0.00 0.00 41.25 37.65 3ml8 s ASN 1060CO 0.52 -1.10 1.74 -0.33 -2.94 0.00 0.00 177.10 175.00 3ml8 h GLU 1061N -0.13 0.30 0.35 3.55 5.08 -1.98 0.59 114.58 122.33 3ml8 h GLU 1061Ca -0.45 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3ml8 h GLU 1061Cb 1.27 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3ml8 h GLU 1061CO 0.59 0.20 -0.52 0.93 -1.00 0.00 0.00 179.01 179.21 3ml8 h GLU 1062N 0.31 -0.88 -0.16 2.33 4.39 -1.99 0.95 114.58 119.53 3ml8 h GLU 1062Ca 0.22 0.06 0.05 0.00 0.34 0.00 0.00 59.36 60.03 3ml8 h GLU 1062Cb 0.24 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3ml8 h GLU 1062CO -0.24 -0.58 0.52 -0.44 -1.16 0.00 0.00 179.01 177.10 3ml8 h ASP 1063N -0.91 0.00 0.00 1.42 5.19 -1.84 -2.55 116.42 117.73 3ml8 h ASP 1063Ca -0.04 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.22 3ml8 h ASP 1063Cb 0.83 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 3ml8 h ASP 1063CO -0.16 0.00 -0.94 0.00 -3.12 0.00 0.00 179.24 175.02 3ml8 h ALA 1064N 1.11 0.18 -1.01 3.45 0.00 0.21 -3.15 119.26 120.05 3ml8 h ALA 1064Ca 0.08 -0.96 0.31 0.00 0.00 0.00 0.00 54.91 54.34 3ml8 h ALA 1064Cb 1.12 0.60 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 3ml8 h ALA 1064CO -0.00 0.58 0.58 -0.22 0.00 0.00 0.00 179.25 180.19 3ml8 h LYS 1065N -1.00 0.37 0.50 0.00 3.64 0.11 -0.70 116.57 119.49 3ml8 h LYS 1065Ca -0.23 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 3ml8 h LYS 1065Cb 1.06 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3ml8 h LYS 1065CO -0.14 0.24 -0.24 -0.22 -2.27 0.00 0.00 179.45 176.82 3ml8 h LYS 1066N 0.38 -0.64 -1.44 1.90 3.64 -1.65 -3.09 116.57 115.67 3ml8 h LYS 1066Ca 0.71 0.04 0.49 0.00 -1.27 0.00 0.00 60.65 60.62 3ml8 h LYS 1066Cb 1.59 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 33.42 3ml8 h LYS 1066CO -0.57 -0.43 0.94 0.98 -2.27 0.00 0.00 179.45 178.10 3ml8 n TYR 1067N -4.13 0.63 0.04 1.91 4.19 -0.29 0.12 117.16 119.64 3ml8 n TYR 1067Ca -0.08 0.64 -0.10 0.00 3.31 0.00 0.00 57.90 61.67 3ml8 n TYR 1067Cb 0.26 -1.08 -0.13 0.00 0.49 0.00 0.00 39.34 38.88 3ml8 n TYR 1067CO 0.00 0.00 0.00 0.35 0.91 0.00 0.00 176.86 178.12 3ml8 h PHE 1068N 0.00 0.11 -0.02 2.98 3.57 -1.57 -2.63 116.94 119.39 3ml8 h PHE 1068Ca 0.88 -0.08 -0.12 0.00 3.53 0.00 0.00 57.97 62.18 3ml8 h PHE 1068Cb 2.93 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 41.65 3ml8 h PHE 1068CO -0.01 1.09 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.55 3ml8 h LEU 1069N 0.02 0.05 -0.57 0.59 3.38 0.11 0.22 115.31 119.10 3ml8 h LEU 1069Ca -0.13 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3ml8 h LEU 1069Cb 1.89 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 3ml8 h LEU 1069CO 0.13 0.59 0.03 0.44 0.09 0.00 0.00 178.44 179.72 3ml8 h ASP 1070N 0.04 0.96 0.13 -0.43 3.45 -1.32 -0.36 116.42 118.89 3ml8 h ASP 1070Ca -0.00 -0.29 0.02 0.00 0.43 0.00 0.00 57.03 57.18 3ml8 h ASP 1070Cb 0.98 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.45 3ml8 h ASP 1070CO 0.07 1.02 -0.31 1.56 -1.57 0.00 0.00 179.24 180.01 3ml8 h GLN 1071N 0.88 -0.52 -0.29 3.56 1.08 -1.04 0.34 115.11 119.12 3ml8 h GLN 1071Ca 0.17 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.49 3ml8 h GLN 1071Cb 0.50 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 3ml8 h GLN 1071CO 0.02 -0.35 0.27 0.82 -0.95 0.00 0.00 178.83 178.65 3ml8 h ILE 1072N -0.54 0.56 0.02 2.54 2.04 -0.30 -0.59 117.51 121.25 3ml8 h ILE 1072Ca 0.03 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.66 3ml8 h ILE 1072Cb 0.56 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3ml8 h ILE 1072CO -0.18 0.00 -1.10 -0.33 0.00 0.00 0.00 178.15 176.54 3ml8 h GLU 1073N 0.00 0.05 0.00 2.37 4.39 0.46 -2.96 114.58 118.89 3ml8 h GLU 1073Ca 0.14 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3ml8 h GLU 1073Cb 0.68 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3ml8 h GLU 1073CO -0.00 1.00 -0.07 0.28 -1.16 0.00 0.00 179.01 179.06 3ml8 h VAL 1074N 0.01 0.35 0.05 3.13 2.07 0.66 -1.92 116.25 120.60 3ml8 h VAL 1074Ca -0.05 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3ml8 h VAL 1074Cb 1.82 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3ml8 h VAL 1074CO 0.14 0.07 -0.03 0.00 0.02 0.00 0.00 177.57 177.77 3ml8 h ARG 1076N -0.57 0.00 0.00 0.00 3.08 -1.41 -0.98 114.38 114.51 3ml8 h ARG 1076Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ml8 h ARG 1076Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3ml8 h ARG 1076CO 0.01 0.07 -1.30 -0.25 -1.07 0.00 0.00 179.97 177.43 3ml8 n ASP 1077N -3.67 0.61 0.00 7.04 9.92 -0.76 -4.13 116.55 125.56 3ml8 n ASP 1077Ca -0.02 0.23 0.07 0.00 -0.53 0.00 0.00 54.79 54.54 3ml8 n ASP 1077Cb 0.17 0.88 -0.13 0.00 -0.64 0.00 0.00 41.12 41.41 3ml8 n ASP 1077CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3ml8 n LYS 1078N -2.56 0.65 0.00 -1.24 3.00 -0.73 -4.96 118.16 112.31 3ml8 n LYS 1078Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 3ml8 n LYS 1078Cb 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 35.03 33.98 3ml8 n LYS 1078CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ml8 n GLY 1079N 1.33 0.29 0.00 3.14 0.00 -0.41 -1.18 105.19 108.36 3ml8 n GLY 1079Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ml8 n GLY 1079CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3ml8 n TRP 1080N 0.00 0.00 -0.28 1.61 5.03 -1.26 -4.13 117.44 118.41 3ml8 n TRP 1080Ca 0.00 0.00 0.25 0.00 3.03 0.00 0.00 57.50 60.78 3ml8 n TRP 1080Cb 0.00 0.00 0.60 0.00 -1.03 0.00 0.00 31.31 30.88 3ml8 n TRP 1080CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 3ml8 h THR 1081N 0.00 0.54 0.01 -0.99 2.02 -1.56 0.10 112.91 113.03 3ml8 h THR 1081Ca 0.00 -0.08 -0.34 0.00 0.77 0.00 0.00 66.41 66.75 3ml8 h THR 1081Cb 0.00 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 3ml8 h THR 1081CO 0.00 0.04 -1.88 0.52 0.37 0.00 0.00 175.52 174.57 3ml8 n VAL 1082N -4.45 1.55 0.14 3.16 0.31 -1.26 -1.09 118.33 116.69 3ml8 n VAL 1082Ca 0.23 -0.23 -0.16 0.00 -0.01 0.00 0.00 64.34 64.16 3ml8 n VAL 1082Cb 0.92 -1.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 3ml8 n VAL 1082CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3ml8 h GLN 1083N -0.89 -0.73 -0.91 5.55 1.08 -1.89 2.61 115.11 119.93 3ml8 h GLN 1083Ca -0.51 0.05 0.23 0.00 -1.45 0.00 0.00 58.65 56.97 3ml8 h GLN 1083Cb 1.50 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 29.04 3ml8 h GLN 1083CO -0.28 -0.49 0.62 0.35 -0.95 0.00 0.00 178.83 178.09 3ml8 h PHE 1084N -0.76 0.30 -0.04 2.96 3.57 -0.93 0.45 116.94 122.50 3ml8 h PHE 1084Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3ml8 h PHE 1084Cb 0.75 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3ml8 h PHE 1084CO -0.40 0.07 -0.09 -0.97 -2.23 0.00 0.00 178.31 174.69 3ml8 h ASN 1085N 0.22 0.14 -0.72 0.41 -1.24 0.10 -1.64 115.58 112.85 3ml8 h ASN 1085Ca 0.46 -0.59 -0.01 0.00 0.71 0.00 0.00 56.30 56.87 3ml8 h ASN 1085Cb 1.44 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 40.42 3ml8 h ASN 1085CO -0.11 0.70 0.43 -0.50 -1.29 0.00 0.00 177.43 176.67 3ml8 h TRP 1086N -0.42 0.95 0.00 0.67 4.06 0.67 -1.55 115.95 120.33 3ml8 h TRP 1086Ca -0.00 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ml8 h TRP 1086Cb 0.69 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3ml8 h TRP 1086CO 0.13 0.64 -0.00 0.35 -3.56 0.00 0.00 178.44 176.00 3ml8 h PHE 1087N 1.00 -0.00 -0.49 0.49 3.57 -0.19 2.35 116.94 123.68 3ml8 h PHE 1087Ca 0.26 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.85 3ml8 h PHE 1087Cb -0.03 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3ml8 h PHE 1087CO 0.00 0.15 0.33 -0.07 -2.23 0.00 0.00 178.31 176.50 3ml8 h LEU 1088N -0.16 0.24 0.00 0.59 3.38 -0.93 -0.46 115.31 117.98 3ml8 h LEU 1088Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ml8 h LEU 1088Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ml8 h LEU 1088CO 0.00 0.15 -0.26 -0.74 0.09 0.00 0.00 178.44 177.68 3ml8 h HIS 1089N 0.27 0.00 0.00 1.13 2.76 -0.48 1.58 115.15 120.40 3ml8 h HIS 1089Ca 0.22 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 3ml8 h HIS 1089Cb 0.53 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 3ml8 h HIS 1089CO -0.00 0.00 -0.09 1.25 -1.30 0.00 0.00 177.93 177.79 3ml8 h LEU 1090N -0.89 0.00 0.00 0.26 5.85 0.39 0.20 115.31 121.12 3ml8 h LEU 1090Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ml8 h LEU 1090Cb 0.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3ml8 h LEU 1090CO 0.00 0.09 -1.27 0.52 -0.34 0.00 0.00 178.44 177.44 3ml8 n VAL 1091N -3.16 0.51 0.00 1.05 0.31 -0.18 -4.86 118.33 112.00 3ml8 n VAL 1091Ca 0.02 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3ml8 n VAL 1091Cb 0.45 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 3ml8 n VAL 1091CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ml8 n LEU 1092N -2.59 0.00 0.00 7.52 -0.00 -1.10 -5.05 117.00 115.78 3ml8 n LEU 1092Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3ml8 n LEU 1092Cb 0.57 0.09 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 3ml8 n LEU 1092CO 0.42 -0.13 0.00 0.61 -0.00 0.00 0.00 177.39 178.28