#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th1 n ALA 146 N 0.00 3.71 -0.01 2.24 0.00 -1.26 -2.76 120.51 122.43 1th1 n ALA 146 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 1th1 n ALA 146 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1th1 n ALA 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1th1 n GLU 147 N -1.14 0.47 -0.01 0.00 4.71 -1.26 -4.49 120.64 118.92 1th1 n GLU 147 Ca 0.07 0.01 -0.17 0.00 -0.01 0.00 0.00 57.16 57.06 1th1 n GLU 147 Cb 0.35 -1.03 -0.10 0.00 -1.01 0.00 0.00 31.44 29.65 1th1 n GLU 147 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1th1 h LEU 148 N 0.00 0.61 0.00 -4.62 5.85 -2.03 -3.34 115.31 111.78 1th1 h LEU 148 Ca -0.03 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1th1 h LEU 148 Cb 1.06 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1th1 h LEU 148 CO -0.00 1.23 -0.45 0.00 -0.34 0.00 0.00 178.44 178.88 1th1 h ALA 149 N 0.39 0.72 0.00 1.25 0.00 -1.83 -3.32 119.26 116.48 1th1 h ALA 149 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1th1 h ALA 149 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1th1 h ALA 149 CO 0.12 0.00 0.00 1.15 0.00 0.00 0.00 179.25 180.52 1th1 h THR 150 N 0.00 0.00 0.00 0.00 2.02 -1.73 -1.30 112.91 111.90 1th1 h THR 150 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1th1 h THR 150 Cb 0.79 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1th1 h THR 150 CO 0.00 0.00 -1.11 0.54 0.37 0.00 0.00 175.52 175.32 1th1 n ARG 151 N -2.79 0.08 0.00 6.66 5.12 -1.25 -4.09 116.66 120.40 1th1 n ARG 151 Ca 0.02 -0.02 0.10 0.00 -1.93 0.00 0.00 57.85 56.02 1th1 n ARG 151 Cb 0.36 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.07 1th1 n ARG 151 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1th1 n ALA 152 N -1.60 4.46 0.02 7.54 0.00 -0.96 -4.37 120.51 125.61 1th1 n ALA 152 Ca 0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.67 1th1 n ALA 152 Cb 0.36 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 1th1 n ALA 152 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1th1 h ILE 153 N 0.62 1.43 0.00 0.00 1.08 -1.40 -3.03 117.51 116.21 1th1 h ILE 153 Ca 0.00 -2.21 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1th1 h ILE 153 Cb 0.57 2.72 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 1th1 h ILE 153 CO 0.00 0.64 0.00 -0.65 -0.69 0.00 0.00 178.15 177.45 1th1 h PRO 154 N -0.12 0.00 -0.08 2.37 0.11 -1.77 -2.78 132.00 129.73 1th1 h PRO 154 Ca -0.10 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.81 1th1 h PRO 154 Cb 1.44 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.56 1th1 h PRO 154 CO 0.14 0.00 -0.74 1.49 -0.21 0.00 0.00 178.00 178.68 1th1 h GLU 155 N 0.00 0.64 0.00 1.05 4.57 -1.76 -2.86 114.58 116.23 1th1 h GLU 155 Ca 0.00 -0.58 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 1th1 h GLU 155 Cb 0.49 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1th1 h GLU 155 CO 0.00 1.20 0.00 -0.07 -1.18 0.00 0.00 179.01 178.96 1th1 h LEU 156 N 0.30 0.00 0.10 1.64 3.38 -1.38 -2.23 115.31 117.11 1th1 h LEU 156 Ca -0.07 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 1th1 h LEU 156 Cb 1.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.16 1th1 h LEU 156 CO 0.15 0.00 -1.24 0.74 0.09 0.00 0.00 178.44 178.18 1th1 h THR 157 N 0.00 1.36 -0.42 0.22 2.02 -1.46 -2.49 112.91 112.14 1th1 h THR 157 Ca 0.00 -2.66 -0.15 0.00 0.77 0.00 0.00 66.41 64.37 1th1 h THR 157 Cb 0.67 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 1th1 h THR 157 CO 0.00 0.80 -0.32 0.11 0.37 0.00 0.00 175.52 176.47 1th1 h LYS 158 N 0.19 0.95 0.00 6.66 1.57 -1.31 -2.45 116.57 122.18 1th1 h LYS 158 Ca -0.17 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1th1 h LYS 158 Cb 1.92 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.23 1th1 h LYS 158 CO 0.22 1.12 0.00 -0.07 -0.57 0.00 0.00 179.45 180.16 1th1 h LEU 159 N 0.79 0.00 0.00 2.94 4.07 -1.43 -2.66 115.31 119.02 1th1 h LEU 159 Ca 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1th1 h LEU 159 Cb 0.91 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1th1 h LEU 159 CO 0.08 0.00 -1.29 0.18 -1.08 0.00 0.00 178.44 176.33 1th1 n LEU 160 N -3.06 0.73 -0.87 1.67 4.32 -0.94 -3.78 117.00 115.07 1th1 n LEU 160 Ca 0.01 0.30 0.10 0.00 -0.02 0.00 0.00 56.01 56.39 1th1 n LEU 160 Cb 0.30 0.01 0.27 0.00 -1.62 0.00 0.00 43.42 42.38 1th1 n LEU 160 CO 0.27 -0.04 0.72 0.59 -1.22 0.00 0.00 177.39 177.71 1th1 n ASN 161 N -2.70 2.56 -4.75 -1.43 3.02 -0.94 -4.92 115.26 106.10 1th1 n ASN 161 Ca -0.05 -1.90 -0.35 0.00 -0.03 0.00 0.00 54.58 52.26 1th1 n ASN 161 Cb 0.66 -0.23 0.04 0.00 -0.61 0.00 0.00 39.78 39.64 1th1 n ASN 161 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1th1 s ASP 162 N -1.35 5.14 0.27 6.41 -1.08 -1.05 -4.98 116.67 120.04 1th1 s ASP 162 Ca 0.35 2.31 0.14 0.00 -0.52 0.00 0.00 52.55 54.83 1th1 s ASP 162 Cb 0.19 -2.59 0.20 0.00 -1.46 0.00 0.00 42.92 39.26 1th1 s ASP 162 CO 0.27 -1.62 1.50 -0.33 0.52 0.00 0.00 175.17 175.51 1th1 h GLU 163 N 0.70 0.00 -5.59 4.34 3.07 -1.93 -3.42 114.58 111.75 1th1 h GLU 163 Ca -0.50 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 57.73 1th1 h GLU 163 Cb 1.29 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 29.06 1th1 h GLU 163 CO 0.55 0.59 0.23 0.34 -1.40 0.00 0.00 179.01 179.31 1th1 s ASP 164 N -6.54 6.41 0.00 1.42 2.15 -1.26 -4.94 116.67 113.91 1th1 s ASP 164 Ca 0.02 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1th1 s ASP 164 Cb 0.09 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1th1 s ASP 164 CO 0.75 -0.74 1.25 1.67 -0.17 0.00 0.00 175.17 177.92 1th1 n GLN 165 N 6.33 0.97 -0.01 4.34 -0.06 -1.26 -2.21 117.38 125.48 1th1 n GLN 165 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1th1 n GLN 165 Cb 0.48 -1.01 -0.02 0.00 -4.06 0.00 0.00 30.24 25.63 1th1 n GLN 165 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1th1 n VAL 166 N 0.80 0.15 0.08 1.69 0.31 -1.26 -4.35 118.33 115.75 1th1 n VAL 166 Ca 0.00 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.14 1th1 n VAL 166 Cb 0.49 -0.83 -0.05 0.00 -0.91 0.00 0.00 33.84 32.54 1th1 n VAL 166 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1th1 h VAL 167 N 0.00 1.48 -0.33 2.52 2.07 -1.79 -2.89 116.25 117.31 1th1 h VAL 167 Ca -0.06 -2.70 -0.10 0.00 0.82 0.00 0.00 66.70 64.66 1th1 h VAL 167 Cb 1.12 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 1th1 h VAL 167 CO -0.00 0.79 -0.21 0.58 0.02 0.00 0.00 177.57 178.75 1th1 h VAL 168 N 0.13 1.26 -0.26 2.57 2.07 -1.63 -1.65 116.25 118.75 1th1 h VAL 168 Ca -0.07 -1.27 -0.15 0.00 0.82 0.00 0.00 66.70 66.03 1th1 h VAL 168 Cb 1.64 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1th1 h VAL 168 CO 0.16 0.41 -0.46 0.78 0.02 0.00 0.00 177.57 178.48 1th1 h ASN 169 N 0.56 0.73 0.23 0.57 -0.26 -1.74 -1.46 115.58 114.20 1th1 h ASN 169 Ca 0.08 -0.35 -0.16 0.00 -0.56 0.00 0.00 56.30 55.31 1th1 h ASN 169 Cb 0.67 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1th1 h ASN 169 CO 0.05 1.08 -0.60 0.11 -1.06 0.00 0.00 177.43 177.01 1th1 h LYS 170 N 0.54 0.37 -0.14 0.81 1.79 -1.33 -3.08 116.57 115.53 1th1 h LYS 170 Ca 0.03 -0.26 -0.18 0.00 -2.18 0.00 0.00 60.65 58.06 1th1 h LYS 170 Cb 1.01 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1th1 h LYS 170 CO 0.09 0.86 -0.67 0.00 -1.08 0.00 0.00 179.45 178.66 1th1 h ALA 171 N 1.08 0.56 0.00 3.86 0.00 -1.15 -2.93 119.26 120.68 1th1 h ALA 171 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1th1 h ALA 171 Cb 1.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1th1 h ALA 171 CO 0.10 0.72 -0.33 0.00 0.00 0.00 0.00 179.25 179.74 1th1 h ALA 172 N 0.85 1.28 0.00 0.00 0.00 -1.25 -1.34 119.26 118.81 1th1 h ALA 172 Ca -0.02 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.43 1th1 h ALA 172 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1th1 h ALA 172 CO 0.13 0.41 -0.76 0.28 0.00 0.00 0.00 179.25 179.31 1th1 h VAL 173 N 0.00 1.41 -0.01 0.00 2.07 -1.49 -2.51 116.25 115.71 1th1 h VAL 173 Ca -0.00 -2.71 -0.16 0.00 0.82 0.00 0.00 66.70 64.64 1th1 h VAL 173 Cb 0.65 2.52 0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1th1 h VAL 173 CO 0.04 0.74 -0.62 -0.03 0.02 0.00 0.00 177.57 177.73 1th1 h MET 174 N 0.00 0.43 -0.16 1.57 4.05 -1.21 -2.47 114.93 117.14 1th1 h MET 174 Ca -0.01 -0.45 -0.07 0.00 -0.28 0.00 0.00 59.70 58.89 1th1 h MET 174 Cb 1.46 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.37 1th1 h MET 174 CO 0.10 1.11 -0.20 0.28 0.23 0.00 0.00 176.91 178.43 1th1 h VAL 175 N -0.06 1.22 -0.31 -5.77 2.07 -1.32 -2.06 116.25 110.02 1th1 h VAL 175 Ca -0.07 -1.01 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1th1 h VAL 175 Cb 1.32 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1th1 h VAL 175 CO 0.12 0.31 -0.13 -0.74 0.02 0.00 0.00 177.57 177.16 1th1 h HIS 176 N 0.25 0.73 0.00 1.57 6.17 -1.44 -1.91 115.15 120.51 1th1 h HIS 176 Ca 0.05 -0.17 -0.05 0.00 0.71 0.00 0.00 60.37 60.90 1th1 h HIS 176 Cb 0.50 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.26 1th1 h HIS 176 CO 0.01 0.85 -0.26 1.96 0.71 0.00 0.00 177.93 181.20 1th1 h GLN 177 N 0.40 0.00 0.00 5.26 4.20 -1.10 -2.64 115.11 121.23 1th1 h GLN 177 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1th1 h GLN 177 Cb 0.64 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1th1 h GLN 177 CO 0.04 0.26 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.03 1th1 h LEU 178 N 0.00 0.00 0.00 1.46 3.38 -1.14 -3.22 115.31 115.78 1th1 h LEU 178 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1th1 h LEU 178 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1th1 h LEU 178 CO 0.03 0.04 -0.02 -1.54 0.09 0.00 0.00 178.44 177.04 1th1 n SER 179 N -2.97 0.05 -0.03 -0.43 3.41 -0.74 -3.15 113.62 109.76 1th1 n SER 179 Ca 0.02 0.48 -0.16 0.00 -0.26 0.00 0.00 58.87 58.95 1th1 n SER 179 Cb 0.55 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1th1 n SER 179 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1th1 h LYS 180 N 0.00 0.57 -6.81 4.33 6.56 -1.56 -3.45 116.57 116.21 1th1 h LYS 180 Ca 0.00 -0.46 -0.49 0.00 -1.06 0.00 0.00 60.65 58.64 1th1 h LYS 180 Cb 0.51 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.26 1th1 h LYS 180 CO 0.00 1.09 0.40 0.15 -2.06 0.00 0.00 179.45 179.02 1th1 s LYS 181 N -3.70 4.67 0.06 3.15 1.02 -1.19 -5.00 119.74 118.74 1th1 s LYS 181 Ca -0.12 1.58 -0.20 0.00 0.02 0.00 0.00 55.97 57.25 1th1 s LYS 181 Cb 0.06 -3.10 -0.12 0.00 -0.52 0.00 0.00 37.83 34.16 1th1 s LYS 181 CO 0.84 0.30 1.46 1.49 -0.92 0.00 0.00 175.35 178.52 1th1 h GLU 182 N 3.71 0.35 -0.52 1.68 4.81 -1.86 -2.54 114.58 120.20 1th1 h GLU 182 Ca -0.46 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1th1 h GLU 182 Cb 1.20 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1th1 h GLU 182 CO 0.67 0.60 0.26 0.00 -0.73 0.00 0.00 179.01 179.81 1th1 h ALA 183 N 0.73 0.67 0.00 2.92 0.00 -1.94 -2.94 119.26 118.70 1th1 h ALA 183 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1th1 h ALA 183 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1th1 h ALA 183 CO 0.02 0.22 -0.20 0.66 0.00 0.00 0.00 179.25 179.95 1th1 h SER 184 N 0.70 0.00 -0.30 0.00 4.64 -1.78 -3.20 113.55 113.61 1th1 h SER 184 Ca 0.18 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 1th1 h SER 184 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1th1 h SER 184 CO -0.02 0.03 -0.53 -0.09 -0.87 0.00 0.00 176.83 175.35 1th1 h ARG 185 N 0.00 0.88 -0.04 4.77 2.43 -1.29 -2.66 114.38 118.48 1th1 h ARG 185 Ca 0.00 -0.55 -0.07 0.00 -0.81 0.00 0.00 59.98 58.54 1th1 h ARG 185 Cb 0.78 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1th1 h ARG 185 CO 0.00 1.19 -0.33 0.45 -1.51 0.00 0.00 179.97 179.77 1th1 h HIS 186 N 0.67 0.07 -0.10 2.20 3.86 -1.55 -2.27 115.15 118.04 1th1 h HIS 186 Ca 0.02 -0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 1th1 h HIS 186 Cb 1.14 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 1th1 h HIS 186 CO 0.07 0.39 -0.66 0.00 0.86 0.00 0.00 177.93 178.60 1th1 h ALA 187 N 1.61 0.69 -0.12 2.45 0.00 -1.50 -1.33 119.26 121.06 1th1 h ALA 187 Ca 0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1th1 h ALA 187 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1th1 h ALA 187 CO 0.04 0.74 -0.24 0.82 0.00 0.00 0.00 179.25 180.61 1th1 h ILE 188 N 0.28 1.38 -0.77 0.00 2.04 -1.31 -3.30 117.51 115.83 1th1 h ILE 188 Ca -0.02 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.36 1th1 h ILE 188 Cb 1.20 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 39.29 1th1 h ILE 188 CO 0.11 0.44 0.49 -0.03 0.00 0.00 0.00 178.15 179.16 1th1 h MET 189 N -0.03 0.94 0.00 2.37 -1.53 -1.38 -2.96 114.93 112.34 1th1 h MET 189 Ca 0.01 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1th1 h MET 189 Cb 0.83 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.67 1th1 h MET 189 CO 0.05 0.62 0.00 0.54 0.14 0.00 0.00 176.91 178.26 1th1 n ARG 190 N -4.60 0.21 -3.82 0.39 3.00 -0.51 -4.64 116.66 106.69 1th1 n ARG 190 Ca 0.09 0.38 -0.36 0.00 -0.01 0.00 0.00 57.85 57.94 1th1 n ARG 190 Cb 0.07 -1.85 -0.13 0.00 0.00 0.00 0.00 32.46 30.55 1th1 n ARG 190 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1th1 s SER 191 N -4.29 4.96 0.49 0.55 1.04 -1.12 -5.00 113.70 110.33 1th1 s SER 191 Ca 0.06 -0.87 0.15 0.00 0.48 0.00 0.00 55.95 55.77 1th1 s SER 191 Cb 0.10 -1.82 1.17 0.00 0.10 0.00 0.00 66.02 65.57 1th1 s SER 191 CO 0.43 -0.21 2.10 -0.65 0.98 0.00 0.00 173.24 175.89 1th1 h PRO 192 N 8.16 0.03 -0.33 4.02 0.11 -1.84 -2.78 132.00 139.37 1th1 h PRO 192 Ca -0.29 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.67 1th1 h PRO 192 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1th1 h PRO 192 CO 0.59 0.07 -0.36 1.96 -0.21 0.00 0.00 178.00 180.06 1th1 h GLN 193 N 0.03 0.75 -0.23 1.05 4.20 -1.94 -2.15 115.11 116.82 1th1 h GLN 193 Ca 0.01 -0.37 -0.17 0.00 0.06 0.00 0.00 58.65 58.18 1th1 h GLN 193 Cb 0.09 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1th1 h GLN 193 CO 0.01 0.99 -0.52 1.98 -0.67 0.00 0.00 178.83 180.62 1th1 h MET 194 N 0.63 0.75 -0.20 1.46 4.05 -1.80 -2.84 114.93 116.98 1th1 h MET 194 Ca 0.06 -0.51 -0.17 0.00 -0.28 0.00 0.00 59.70 58.81 1th1 h MET 194 Cb 0.90 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1th1 h MET 194 CO 0.08 1.13 -0.57 0.28 0.23 0.00 0.00 176.91 178.06 1th1 h VAL 195 N 0.48 1.31 0.00 -5.77 2.07 -1.53 -2.58 116.25 110.24 1th1 h VAL 195 Ca -0.00 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1th1 h VAL 195 Cb 1.13 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1th1 h VAL 195 CO 0.11 0.57 0.00 0.77 0.02 0.00 0.00 177.57 179.04 1th1 h SER 196 N 0.47 0.00 0.54 0.57 4.64 -1.41 -1.25 113.55 117.12 1th1 h SER 196 Ca 0.01 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.04 1th1 h SER 196 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1th1 h SER 196 CO 0.11 0.00 -1.45 0.00 -0.87 0.00 0.00 176.83 174.62 1th1 h ALA 197 N 2.12 0.30 -0.25 5.18 0.00 -1.28 -2.42 119.26 122.92 1th1 h ALA 197 Ca 0.00 -1.09 -0.19 0.00 0.00 0.00 0.00 54.91 53.63 1th1 h ALA 197 Cb 0.49 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1th1 h ALA 197 CO 0.00 1.17 -0.60 0.82 0.00 0.00 0.00 179.25 180.64 1th1 h ILE 198 N 0.05 1.28 -0.33 0.00 2.04 -1.05 -1.89 117.51 117.61 1th1 h ILE 198 Ca -0.20 -1.79 -0.09 0.00 1.00 0.00 0.00 64.86 63.77 1th1 h ILE 198 Cb 1.98 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 1th1 h ILE 198 CO 0.16 0.58 -0.14 0.58 0.00 0.00 0.00 178.15 179.32 1th1 h VAL 199 N 0.62 1.29 -0.68 1.67 2.07 -1.33 -2.44 116.25 117.44 1th1 h VAL 199 Ca -0.00 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1th1 h VAL 199 Cb 1.21 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1th1 h VAL 199 CO 0.13 0.40 0.24 -0.09 0.02 0.00 0.00 177.57 178.28 1th1 h ARG 200 N 0.45 1.03 0.34 1.57 2.43 -1.42 -2.86 114.38 115.92 1th1 h ARG 200 Ca 0.08 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1th1 h ARG 200 Cb 0.67 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1th1 h ARG 200 CO 0.04 0.86 -0.17 1.15 -1.51 0.00 0.00 179.97 180.35 1th1 h THR 201 N 1.00 0.66 -0.53 0.20 2.02 -1.27 -3.11 112.91 111.89 1th1 h THR 201 Ca 0.23 -0.42 0.10 0.00 0.77 0.00 0.00 66.41 67.09 1th1 h THR 201 Cb 0.24 0.87 -0.11 0.00 -1.74 0.00 0.00 68.15 67.41 1th1 h THR 201 CO -0.01 0.08 -0.23 -0.03 0.37 0.00 0.00 175.52 175.70 1th1 h MET 202 N -0.70 -0.10 0.00 6.66 1.85 -1.25 0.51 114.93 121.90 1th1 h MET 202 Ca -0.05 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1th1 h MET 202 Cb 0.49 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.54 1th1 h MET 202 CO 0.08 -0.07 0.00 0.00 -0.40 0.00 0.00 176.91 176.52 1th1 n GLN 203 N -5.42 0.19 -0.00 0.39 10.64 -1.09 -3.51 117.38 118.58 1th1 n GLN 203 Ca 0.05 0.18 0.07 0.00 -1.83 0.00 0.00 57.00 55.47 1th1 n GLN 203 Cb 0.33 -1.73 -0.08 0.00 -0.86 0.00 0.00 30.24 27.89 1th1 n GLN 203 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1th1 n ASN 204 N -2.06 0.72 -4.79 2.61 3.02 -0.80 -5.02 115.26 108.94 1th1 n ASN 204 Ca 0.06 -0.80 -0.34 0.00 -0.03 0.00 0.00 54.58 53.47 1th1 n ASN 204 Cb 0.39 1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 40.57 1th1 n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1th1 s THR 205 N -2.39 3.70 -0.04 3.41 2.01 0.11 -4.98 115.64 117.46 1th1 s THR 205 Ca 0.05 1.03 0.04 0.00 0.31 0.00 0.00 61.69 63.11 1th1 s THR 205 Cb 0.11 -3.42 -0.06 0.00 0.01 0.00 0.00 72.50 69.14 1th1 s THR 205 CO 0.59 -0.26 0.10 0.59 -0.69 0.00 0.00 174.62 174.95 1th1 n ASN 206 N -1.16 3.34 -4.72 3.53 4.13 -1.26 -5.02 115.26 114.11 1th1 n ASN 206 Ca 0.10 -0.11 -0.41 0.00 1.68 0.00 0.00 54.58 55.83 1th1 n ASN 206 Cb 0.52 1.15 -0.04 0.00 -1.54 0.00 0.00 39.78 39.87 1th1 n ASN 206 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1th1 s ASP 207 N -2.26 7.30 0.19 6.41 2.15 -1.26 -4.99 116.67 124.22 1th1 s ASP 207 Ca -0.01 1.57 0.01 0.00 0.43 0.00 0.00 52.55 54.55 1th1 s ASP 207 Cb 0.03 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 40.23 1th1 s ASP 207 CO 0.17 -0.15 1.47 -0.37 -0.17 0.00 0.00 175.17 176.11 1th1 h VAL 208 N 4.53 1.39 0.00 1.11 -1.51 -1.99 -2.23 116.25 117.55 1th1 h VAL 208 Ca -0.42 -2.13 -0.10 0.00 -1.23 0.00 0.00 66.70 62.82 1th1 h VAL 208 Cb 1.21 2.10 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 1th1 h VAL 208 CO 0.74 0.64 -0.48 -0.08 -1.23 0.00 0.00 177.57 177.16 1th1 h GLU 209 N 0.23 0.00 0.16 5.19 4.22 -2.01 -2.67 114.58 119.71 1th1 h GLU 209 Ca -0.02 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 59.11 1th1 h GLU 209 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.52 1th1 h GLU 209 CO 0.12 0.48 -1.47 1.15 -2.18 0.00 0.00 179.01 177.10 1th1 h THR 210 N 0.00 1.25 -0.52 0.32 2.02 -1.91 -3.15 112.91 110.91 1th1 h THR 210 Ca -0.00 -2.81 0.03 0.00 0.77 0.00 0.00 66.41 64.40 1th1 h THR 210 Cb 0.94 2.88 -0.04 0.00 -1.74 0.00 0.00 68.15 70.20 1th1 h THR 210 CO 0.06 0.84 0.30 0.00 0.37 0.00 0.00 175.52 177.10 1th1 h ALA 211 N 0.38 0.67 -0.17 6.16 0.00 -1.23 -0.42 119.26 124.65 1th1 h ALA 211 Ca -0.23 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 1th1 h ALA 211 Cb 2.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1th1 h ALA 211 CO 0.20 0.00 -0.67 0.07 0.00 0.00 0.00 179.25 178.86 1th1 h ARG 212 N 0.60 0.67 -0.32 0.00 0.11 -1.60 -1.83 114.38 112.00 1th1 h ARG 212 Ca 0.21 -0.49 -0.09 0.00 0.10 0.00 0.00 59.98 59.72 1th1 h ARG 212 Cb 0.04 0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 1th1 h ARG 212 CO -0.11 1.11 -0.17 0.00 0.10 0.00 0.00 179.97 180.91 1th1 h THR 214 N 0.52 1.36 0.00 0.00 2.02 -1.08 -2.53 112.91 113.20 1th1 h THR 214 Ca 0.09 -2.48 -0.05 0.00 0.77 0.00 0.00 66.41 64.74 1th1 h THR 214 Cb 0.59 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 1th1 h THR 214 CO 0.04 0.74 -0.23 0.00 0.37 0.00 0.00 175.52 176.44 1th1 h ALA 215 N 0.21 0.97 0.00 6.16 0.00 -1.25 -2.70 119.26 122.65 1th1 h ALA 215 Ca -0.18 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1th1 h ALA 215 Cb 1.83 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1th1 h ALA 215 CO 0.21 0.29 -0.60 0.78 0.00 0.00 0.00 179.25 179.93 1th1 h GLY 216 N 2.40 0.00 0.61 0.00 0.00 -0.37 -2.02 103.07 103.69 1th1 h GLY 216 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1th1 h GLY 216 CO 0.03 0.00 -0.28 -0.84 0.00 0.00 0.00 176.54 175.45 1th1 h THR 217 N 0.00 1.46 0.00 4.70 2.02 -1.17 -2.66 112.91 117.26 1th1 h THR 217 Ca -0.01 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.40 1th1 h THR 217 Cb 1.26 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1th1 h THR 217 CO 0.08 0.50 -0.11 -0.07 0.37 0.00 0.00 175.52 176.29 1th1 h LEU 218 N -0.27 0.00 -0.19 2.58 3.38 -1.45 -0.69 115.31 118.67 1th1 h LEU 218 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1th1 h LEU 218 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1th1 h LEU 218 CO 0.06 0.11 -0.17 -0.74 0.09 0.00 0.00 178.44 177.79 1th1 h HIS 219 N 0.00 0.54 -0.40 1.13 2.76 -1.32 -2.03 115.15 115.83 1th1 h HIS 219 Ca -0.00 -0.16 -0.09 0.00 -2.20 0.00 0.00 60.37 57.92 1th1 h HIS 219 Cb 0.22 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 1th1 h HIS 219 CO 0.00 0.80 -0.11 -0.91 -1.30 0.00 0.00 177.93 176.41 1th1 h ASN 220 N 0.13 0.70 1.08 3.26 -0.26 -0.94 -2.89 115.58 116.67 1th1 h ASN 220 Ca 0.03 -0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 55.50 1th1 h ASN 220 Cb 0.70 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1th1 h ASN 220 CO 0.04 0.84 -0.32 -0.07 -1.06 0.00 0.00 177.43 176.87 1th1 h LEU 221 N 0.65 0.00 0.00 1.61 3.38 -1.13 -3.22 115.31 116.60 1th1 h LEU 221 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1th1 h LEU 221 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1th1 h LEU 221 CO 0.04 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 177.34 1th1 n SER 222 N -3.37 0.00 -0.05 -0.43 3.41 -0.77 -1.90 113.62 110.51 1th1 n SER 222 Ca 0.01 -0.21 0.13 0.00 -0.26 0.00 0.00 58.87 58.54 1th1 n SER 222 Cb 0.52 -0.18 0.44 0.00 -0.26 0.00 0.00 64.21 64.73 1th1 n SER 222 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1th1 n HIS 223 N -1.18 0.00 -4.74 7.33 8.25 -1.22 -4.81 115.22 118.85 1th1 n HIS 223 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 1th1 n HIS 223 Cb 0.12 -0.28 -0.14 0.00 1.12 0.00 0.00 29.99 30.80 1th1 n HIS 223 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1th1 s HIS 224 N -2.83 2.37 0.12 4.41 3.76 -0.80 -5.05 115.29 117.27 1th1 s HIS 224 Ca 0.17 -0.37 -0.20 0.00 -0.15 0.00 0.00 55.06 54.51 1th1 s HIS 224 Cb 0.19 -1.38 -0.07 0.00 1.11 0.00 0.00 32.58 32.43 1th1 s HIS 224 CO 0.59 0.20 1.76 -0.09 -0.85 0.00 0.00 174.74 176.35 1th1 h ARG 225 N 4.54 0.19 0.00 1.40 2.43 -1.89 0.59 114.38 121.63 1th1 h ARG 225 Ca -0.48 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.62 1th1 h ARG 225 Cb 1.15 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1th1 h ARG 225 CO 0.44 0.13 -0.28 0.93 -1.51 0.00 0.00 179.97 179.68 1th1 h GLU 226 N 0.19 0.00 -0.08 0.20 5.08 -1.95 -1.14 114.58 116.89 1th1 h GLU 226 Ca 0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1th1 h GLU 226 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1th1 h GLU 226 CO -0.04 0.28 -0.46 0.78 -1.00 0.00 0.00 179.01 178.56 1th1 h GLY 227 N 1.60 0.49 1.04 -3.84 0.00 -1.55 -1.89 103.07 98.92 1th1 h GLY 227 Ca -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1th1 h GLY 227 CO 0.04 0.63 0.33 1.41 0.00 0.00 0.00 176.54 178.95 1th1 h LEU 228 N -0.01 1.09 -0.72 3.11 3.38 -0.55 -0.53 115.31 121.07 1th1 h LEU 228 Ca -0.04 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1th1 h LEU 228 Cb 1.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1th1 h LEU 228 CO 0.09 0.96 -0.28 0.25 0.09 0.00 0.00 178.44 179.55 1th1 h LEU 229 N 1.15 0.68 -0.06 1.67 5.85 -1.24 -1.87 115.31 121.50 1th1 h LEU 229 Ca 0.27 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1th1 h LEU 229 Cb 0.20 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1th1 h LEU 229 CO -0.02 0.93 -0.01 0.00 -0.34 0.00 0.00 178.44 179.00 1th1 h ALA 230 N 1.11 0.08 -0.87 1.25 0.00 -0.81 -0.50 119.26 119.53 1th1 h ALA 230 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1th1 h ALA 230 Cb 0.78 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1th1 h ALA 230 CO 0.06 -0.22 0.55 0.82 0.00 0.00 0.00 179.25 180.46 1th1 h ILE 231 N -0.23 1.09 0.11 0.00 2.04 -1.06 -1.88 117.51 117.58 1th1 h ILE 231 Ca 0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1th1 h ILE 231 Cb 0.40 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1th1 h ILE 231 CO 0.01 0.19 -0.05 0.15 0.00 0.00 0.00 178.15 178.44 1th1 h PHE 232 N 1.04 -0.14 -0.61 1.37 3.57 -1.22 0.16 116.94 121.11 1th1 h PHE 232 Ca 0.36 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.88 1th1 h PHE 232 Cb 0.09 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1th1 h PHE 232 CO -0.02 0.20 0.40 0.87 -2.23 0.00 0.00 178.31 177.53 1th1 h LYS 233 N -0.50 0.73 -0.29 1.11 1.57 -0.86 -2.83 116.57 115.49 1th1 h LYS 233 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1th1 h LYS 233 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1th1 h LYS 233 CO 0.03 0.48 0.00 -1.13 -0.57 0.00 0.00 179.45 178.26 1th1 n SER 234 N -4.46 1.38 -1.94 0.86 3.41 -0.73 -4.90 113.62 107.23 1th1 n SER 234 Ca 0.07 -2.03 -0.11 0.00 -0.26 0.00 0.00 58.87 56.55 1th1 n SER 234 Cb 0.11 -0.19 0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1th1 n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1th1 n GLY 235 N 0.82 0.25 0.14 5.00 0.00 -1.07 -4.87 105.19 105.46 1th1 n GLY 235 Ca 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.86 1th1 n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1th1 h GLY 236 N -1.23 0.00 0.78 -0.02 0.00 -0.86 -3.32 103.07 98.41 1th1 h GLY 236 Ca -0.26 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1th1 h GLY 236 CO 0.26 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.54 1th1 h ILE 237 N 0.00 1.06 0.00 2.60 2.04 -1.87 0.14 117.51 121.49 1th1 h ILE 237 Ca -0.01 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1th1 h ILE 237 Cb 1.19 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1th1 h ILE 237 CO 0.08 0.12 -0.13 -0.65 0.00 0.00 0.00 178.15 177.57 1th1 h PRO 238 N -0.33 0.00 -0.18 2.37 0.11 -1.88 -1.20 132.00 130.89 1th1 h PRO 238 Ca -0.01 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.89 1th1 h PRO 238 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1th1 h PRO 238 CO 0.02 0.13 -0.70 0.00 -0.21 0.00 0.00 178.00 177.23 1th1 h ALA 239 N 1.87 0.42 0.00 -0.75 0.00 -1.60 -2.76 119.26 116.44 1th1 h ALA 239 Ca -0.00 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 1th1 h ALA 239 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1th1 h ALA 239 CO 0.02 0.70 -0.86 -0.07 0.00 0.00 0.00 179.25 179.04 1th1 h LEU 240 N 0.52 0.12 -0.71 0.00 3.38 -0.34 -2.99 115.31 115.29 1th1 h LEU 240 Ca -0.03 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1th1 h LEU 240 Cb 1.31 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1th1 h LEU 240 CO 0.14 0.91 0.08 0.58 0.09 0.00 0.00 178.44 180.25 1th1 h VAL 241 N 0.05 1.26 -0.32 1.22 2.07 -1.25 -2.46 116.25 116.82 1th1 h VAL 241 Ca -0.03 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1th1 h VAL 241 Cb 1.49 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1th1 h VAL 241 CO 0.12 0.39 0.01 0.50 0.02 0.00 0.00 177.57 178.61 1th1 h LYS 242 N 1.00 0.48 0.00 1.57 3.64 -1.44 -1.95 116.57 119.88 1th1 h LYS 242 Ca 0.19 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1th1 h LYS 242 Cb 0.46 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1th1 h LYS 242 CO 0.02 0.51 0.00 -1.33 -2.27 0.00 0.00 179.45 176.37 1th1 n MET 243 N -4.30 0.05 0.00 1.90 2.81 -0.94 -2.45 117.12 114.19 1th1 n MET 243 Ca 0.01 0.17 0.14 0.00 -1.81 0.00 0.00 57.70 56.21 1th1 n MET 243 Cb 0.23 -1.57 0.82 0.00 -0.71 0.00 0.00 33.22 31.99 1th1 n MET 243 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1th1 n LEU 244 N -1.65 0.00 -0.97 4.03 4.77 -0.73 -2.93 117.00 119.52 1th1 n LEU 244 Ca 0.05 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1th1 n LEU 244 Cb 0.27 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 1th1 n LEU 244 CO 0.21 0.00 0.71 0.61 -1.33 0.00 0.00 177.39 177.59 1th1 n GLY 245 N 0.93 3.56 3.89 -0.72 0.00 -1.03 -4.94 105.19 106.88 1th1 n GLY 245 Ca 0.21 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1th1 n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th1 s SER 246 N -1.55 6.51 0.13 1.61 1.04 -1.15 -5.01 113.70 115.28 1th1 s SER 246 Ca 0.39 0.58 0.26 0.00 0.48 0.00 0.00 55.95 57.66 1th1 s SER 246 Cb 0.29 -2.09 0.96 0.00 0.10 0.00 0.00 66.02 65.28 1th1 s SER 246 CO 0.12 0.18 1.79 -0.81 0.98 0.00 0.00 173.24 175.50 1th1 n PRO 247 N 0.72 0.15 -2.64 4.02 -0.04 -1.26 -4.82 135.00 131.13 1th1 n PRO 247 Ca -0.08 0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 1th1 n PRO 247 Cb 0.52 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1th1 n PRO 247 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1th1 s VAL 248 N -3.09 4.66 0.07 0.52 1.01 -1.26 -4.98 120.40 117.33 1th1 s VAL 248 Ca 0.11 1.91 -0.21 0.00 0.00 0.00 0.00 61.98 63.79 1th1 s VAL 248 Cb 0.14 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 1th1 s VAL 248 CO 0.52 0.11 1.55 0.44 0.00 0.00 0.00 175.10 177.72 1th1 h ASP 249 N 6.90 0.25 -0.93 3.32 5.19 -2.00 -2.96 116.42 126.20 1th1 h ASP 249 Ca -0.39 -0.25 0.09 0.00 -0.62 0.00 0.00 57.03 55.86 1th1 h ASP 249 Cb 1.20 -0.07 -0.07 0.00 0.18 0.00 0.00 39.33 40.58 1th1 h ASP 249 CO 0.79 0.43 0.60 0.77 -3.12 0.00 0.00 179.24 178.71 1th1 h SER 250 N 0.06 0.88 -0.03 6.45 4.64 -1.98 0.06 113.55 123.62 1th1 h SER 250 Ca 0.05 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1th1 h SER 250 Cb 0.29 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1th1 h SER 250 CO 0.00 0.53 0.00 0.58 -0.87 0.00 0.00 176.83 177.08 1th1 h VAL 251 N 0.98 1.25 -0.76 0.95 2.07 -1.92 -1.68 116.25 117.14 1th1 h VAL 251 Ca 0.42 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1th1 h VAL 251 Cb 0.33 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1th1 h VAL 251 CO -0.18 0.20 0.50 -0.07 0.02 0.00 0.00 177.57 178.04 1th1 h LEU 252 N -0.24 0.84 -1.35 2.57 3.38 -1.27 0.55 115.31 119.79 1th1 h LEU 252 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1th1 h LEU 252 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1th1 h LEU 252 CO 0.00 0.60 0.16 -0.26 0.09 0.00 0.00 178.44 179.03 1th1 h PHE 253 N 1.00 0.59 0.10 1.13 -1.00 -0.86 -0.02 116.94 117.87 1th1 h PHE 253 Ca 0.29 -0.02 -0.18 0.00 2.81 0.00 0.00 57.97 60.87 1th1 h PHE 253 Cb -0.07 -0.19 0.02 0.00 3.61 0.00 0.00 35.95 39.33 1th1 h PHE 253 CO -0.03 0.48 -0.76 1.88 -1.61 0.00 0.00 178.31 178.28 1th1 h TYR 254 N 0.59 0.58 -0.40 -0.55 0.99 -0.64 -3.13 116.97 114.41 1th1 h TYR 254 Ca 0.14 -0.38 -0.08 0.00 2.00 0.00 0.00 58.73 60.41 1th1 h TYR 254 Cb 0.14 -0.04 -0.02 0.00 1.00 0.00 0.00 36.73 37.81 1th1 h TYR 254 CO 0.01 1.26 -0.08 0.00 -0.00 0.00 0.00 178.16 179.35 1th1 h ALA 255 N 0.17 1.12 0.01 3.88 0.00 -0.64 -1.54 119.26 122.25 1th1 h ALA 255 Ca -0.12 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1th1 h ALA 255 Cb 1.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1th1 h ALA 255 CO 0.14 0.56 -1.00 0.97 0.00 0.00 0.00 179.25 179.92 1th1 h ILE 256 N 0.63 1.69 -0.07 0.00 6.09 -1.14 -2.05 117.51 122.65 1th1 h ILE 256 Ca 0.12 -3.32 -0.19 0.00 -1.37 0.00 0.00 64.86 60.09 1th1 h ILE 256 Cb 0.51 2.82 -0.00 0.00 0.47 0.00 0.00 36.82 40.61 1th1 h ILE 256 CO 0.03 0.95 -0.76 0.74 -3.07 0.00 0.00 178.15 176.04 1th1 h THR 257 N 0.01 1.38 -0.08 2.19 2.02 -1.47 -1.00 112.91 115.96 1th1 h THR 257 Ca -0.02 -2.19 -0.09 0.00 0.77 0.00 0.00 66.41 64.88 1th1 h THR 257 Cb 1.75 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1th1 h THR 257 CO 0.13 0.66 -0.30 0.74 0.37 0.00 0.00 175.52 177.12 1th1 h THR 258 N 0.27 1.41 -0.19 3.16 2.02 -1.31 -2.45 112.91 115.83 1th1 h THR 258 Ca -0.04 -1.67 -0.05 0.00 0.77 0.00 0.00 66.41 65.42 1th1 h THR 258 Cb 1.34 2.26 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 1th1 h THR 258 CO 0.13 0.48 -0.12 -0.07 0.37 0.00 0.00 175.52 176.32 1th1 h LEU 259 N -0.12 0.28 0.07 2.58 3.38 -1.37 -1.53 115.31 118.59 1th1 h LEU 259 Ca -0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1th1 h LEU 259 Cb 0.94 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1th1 h LEU 259 CO 0.06 0.43 -0.03 -0.74 0.09 0.00 0.00 178.44 178.25 1th1 h HIS 260 N 0.28 -0.08 -0.62 1.13 2.76 -1.13 -0.38 115.15 117.10 1th1 h HIS 260 Ca 0.06 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1th1 h HIS 260 Cb 0.38 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.34 1th1 h HIS 260 CO 0.01 0.24 0.41 -0.91 -1.30 0.00 0.00 177.93 176.38 1th1 h ASN 261 N -0.42 0.70 -0.20 3.26 2.35 -1.24 -0.55 115.58 119.47 1th1 h ASN 261 Ca -0.01 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1th1 h ASN 261 Cb 0.36 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1th1 h ASN 261 CO 0.02 0.50 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.17 1th1 h LEU 262 N 0.82 0.39 -1.22 1.61 3.38 -1.12 -0.14 115.31 119.04 1th1 h LEU 262 Ca 0.23 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1th1 h LEU 262 Cb -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1th1 h LEU 262 CO -0.06 0.68 -0.11 -0.07 0.09 0.00 0.00 178.44 178.97 1th1 h LEU 263 N 0.11 0.39 0.17 1.67 3.38 -0.40 0.68 115.31 121.32 1th1 h LEU 263 Ca 0.05 -0.09 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 1th1 h LEU 263 Cb 0.51 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.19 1th1 h LEU 263 CO 0.02 0.54 -1.25 -0.07 0.09 0.00 0.00 178.44 177.76 1th1 h LEU 264 N 0.38 0.80 0.00 1.67 3.38 -1.04 -3.42 115.31 117.09 1th1 h LEU 264 Ca 0.08 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1th1 h LEU 264 Cb 0.43 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1th1 h LEU 264 CO 0.02 1.61 -0.18 1.41 0.09 0.00 0.00 178.44 181.39 1th1 n HIS 265 N -3.83 0.00 -3.95 1.13 8.25 -0.07 -5.00 115.22 111.74 1th1 n HIS 265 Ca -0.15 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.96 1th1 n HIS 265 Cb 1.00 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.98 1th1 n HIS 265 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1th1 s GLN 266 N -1.32 3.56 0.16 -0.41 2.00 0.22 -5.04 119.66 118.84 1th1 s GLN 266 Ca 0.01 -0.54 -0.30 0.00 -2.00 0.00 0.00 55.36 52.53 1th1 s GLN 266 Cb 0.02 -3.12 -0.07 0.00 0.80 0.00 0.00 33.01 30.64 1th1 s GLN 266 CO 0.12 -0.09 1.09 -1.83 -0.50 0.00 0.00 175.29 174.08 1th1 s GLU 267 N 1.28 4.59 0.00 1.67 -1.05 -1.26 -2.90 118.70 121.02 1th1 s GLU 267 Ca 0.04 1.69 0.00 0.00 -0.15 0.00 0.00 54.97 56.55 1th1 s GLU 267 Cb -0.15 -3.29 0.00 0.00 -0.44 0.00 0.00 34.13 30.25 1th1 s GLU 267 CO 0.01 0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.69 1th1 n GLY 268 N 2.16 0.66 0.21 -3.83 0.00 -1.26 -4.94 105.19 98.20 1th1 n GLY 268 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1th1 n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th1 h ALA 269 N 0.00 0.73 -0.18 4.61 0.00 -1.82 -2.92 119.26 119.69 1th1 h ALA 269 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1th1 h ALA 269 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1th1 h ALA 269 CO 0.00 0.68 0.12 0.87 0.00 0.00 0.00 179.25 180.92 1th1 h LYS 270 N 0.42 0.23 -0.25 0.00 1.57 -1.88 -1.38 116.57 115.28 1th1 h LYS 270 Ca 0.01 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1th1 h LYS 270 Cb 1.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1th1 h LYS 270 CO 0.10 0.15 -0.26 1.98 -0.57 0.00 0.00 179.45 180.85 1th1 h MET 271 N 0.24 0.49 -0.16 3.15 4.05 -1.99 -2.17 114.93 118.55 1th1 h MET 271 Ca 0.07 -0.19 -0.11 0.00 -0.28 0.00 0.00 59.70 59.19 1th1 h MET 271 Cb -0.02 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1th1 h MET 271 CO -0.02 0.71 -0.39 0.00 0.23 0.00 0.00 176.91 177.44 1th1 h ALA 272 N 1.29 1.04 0.01 0.39 0.00 -1.26 -0.50 119.26 120.22 1th1 h ALA 272 Ca 0.06 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1th1 h ALA 272 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1th1 h ALA 272 CO 0.05 0.60 -0.88 0.28 0.00 0.00 0.00 179.25 179.30 1th1 h VAL 273 N 0.29 1.51 0.03 0.00 2.07 -1.01 -2.41 116.25 116.74 1th1 h VAL 273 Ca 0.03 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 64.88 1th1 h VAL 273 Cb 0.82 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1th1 h VAL 273 CO 0.07 0.78 -0.01 0.03 0.02 0.00 0.00 177.57 178.45 1th1 h ARG 274 N 0.09 -0.03 0.00 1.57 3.08 -1.10 0.22 114.38 118.20 1th1 h ARG 274 Ca -0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1th1 h ARG 274 Cb 1.51 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.56 1th1 h ARG 274 CO 0.13 0.44 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.26 1th1 h LEU 275 N -0.52 0.00 0.00 3.04 3.38 -1.16 -1.42 115.31 118.63 1th1 h LEU 275 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1th1 h LEU 275 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1th1 h LEU 275 CO 0.01 0.13 -0.07 0.00 0.09 0.00 0.00 178.44 178.60 1th1 n ALA 276 N -2.46 2.41 -2.22 1.53 0.00 -0.91 -4.94 120.51 113.93 1th1 n ALA 276 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1th1 n ALA 276 Cb 0.21 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1th1 n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1th1 n GLY 277 N 1.39 0.52 0.23 0.00 0.00 -0.54 -4.98 105.19 101.81 1th1 n GLY 277 Ca 0.06 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.42 1th1 n GLY 277 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1th1 h GLY 278 N -0.05 0.00 1.09 -0.02 0.00 -1.16 -3.30 103.07 99.62 1th1 h GLY 278 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1th1 h GLY 278 CO 0.03 0.00 0.10 1.41 0.00 0.00 0.00 176.54 178.08 1th1 h LEU 279 N 0.00 1.07 -0.65 3.11 3.38 -1.89 -0.54 115.31 119.78 1th1 h LEU 279 Ca -0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1th1 h LEU 279 Cb 0.71 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1th1 h LEU 279 CO 0.03 1.06 0.28 -0.61 0.09 0.00 0.00 178.44 179.30 1th1 h GLN 280 N 1.04 0.96 -0.58 1.13 4.15 -1.90 -1.53 115.11 118.37 1th1 h GLN 280 Ca 0.20 -0.16 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1th1 h GLN 280 Cb 0.46 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1th1 h GLN 280 CO 0.02 0.79 0.00 0.87 -1.93 0.00 0.00 178.83 178.58 1th1 h LYS 281 N 0.91 1.03 -0.34 1.69 6.56 -1.63 -2.26 116.57 122.53 1th1 h LYS 281 Ca 0.22 -0.33 -0.10 0.00 -1.06 0.00 0.00 60.65 59.39 1th1 h LYS 281 Cb 0.17 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1th1 h LYS 281 CO -0.02 1.01 -0.17 0.52 -2.06 0.00 0.00 179.45 178.73 1th1 h MET 282 N 0.92 0.71 -0.48 3.15 2.86 -0.86 -2.85 114.93 118.39 1th1 h MET 282 Ca 0.17 -0.31 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1th1 h MET 282 Cb 0.55 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1th1 h MET 282 CO 0.03 0.92 -0.08 0.28 1.06 0.00 0.00 176.91 179.12 1th1 h VAL 283 N 0.49 1.26 0.00 -2.22 2.07 -1.28 -2.55 116.25 114.02 1th1 h VAL 283 Ca 0.08 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1th1 h VAL 283 Cb 0.71 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1th1 h VAL 283 CO 0.05 0.41 -0.03 0.00 0.02 0.00 0.00 177.57 178.02 1th1 h ALA 284 N 1.12 1.13 -0.15 1.67 0.00 -1.32 -1.70 119.26 120.01 1th1 h ALA 284 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1th1 h ALA 284 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1th1 h ALA 284 CO 0.04 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1th1 n LEU 285 N -3.31 1.62 0.00 0.00 4.77 -0.96 -4.10 117.00 115.02 1th1 n LEU 285 Ca -0.02 -0.67 0.06 0.00 -0.03 0.00 0.00 56.01 55.36 1th1 n LEU 285 Cb 0.16 -0.10 0.39 0.00 -2.33 0.00 0.00 43.42 41.54 1th1 n LEU 285 CO 0.25 0.33 0.74 0.18 -1.33 0.00 0.00 177.39 177.56 1th1 n LEU 286 N 0.29 0.00 -0.11 2.23 4.77 -0.64 -2.70 117.00 120.84 1th1 n LEU 286 Ca 0.16 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1th1 n LEU 286 Cb 0.33 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.72 1th1 n LEU 286 CO 0.13 0.00 0.54 0.59 -1.33 0.00 0.00 177.39 177.32 1th1 n ASN 287 N -0.71 0.73 -4.73 -1.43 3.02 -1.26 -4.95 115.26 105.93 1th1 n ASN 287 Ca 0.10 -0.53 -0.30 0.00 -0.03 0.00 0.00 54.58 53.82 1th1 n ASN 287 Cb 0.04 0.20 0.13 0.00 -0.61 0.00 0.00 39.78 39.55 1th1 n ASN 287 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1th1 s LYS 288 N -2.78 1.30 -0.03 3.52 -0.14 -1.10 -5.04 119.74 115.47 1th1 s LYS 288 Ca 0.17 0.73 0.12 0.00 -1.36 0.00 0.00 55.97 55.63 1th1 s LYS 288 Cb 0.18 -1.82 -0.18 0.00 -1.68 0.00 0.00 37.83 34.33 1th1 s LYS 288 CO 0.62 -2.19 0.23 2.41 -0.76 0.00 0.00 175.35 175.66 1th1 n THR 289 N -3.83 0.13 -2.15 2.17 -1.04 -1.26 -4.94 114.28 103.35 1th1 n THR 289 Ca 0.07 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.34 1th1 n THR 289 Cb 0.56 0.07 -0.02 0.00 -1.82 0.00 0.00 70.33 69.11 1th1 n THR 289 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1th1 s ASN 290 N -3.57 6.49 0.28 8.00 3.84 -1.26 -4.91 114.94 123.82 1th1 s ASN 290 Ca -0.05 1.69 -0.03 0.00 0.21 0.00 0.00 52.86 54.68 1th1 s ASN 290 Cb 0.07 -2.53 0.38 0.00 -0.55 0.00 0.00 41.25 38.61 1th1 s ASN 290 CO 0.50 -1.15 1.95 -0.37 -2.79 0.00 0.00 177.10 175.24 1th1 h VAL 291 N 5.99 1.23 -0.13 -5.21 -1.51 -1.99 -1.91 116.25 112.71 1th1 h VAL 291 Ca -0.33 -0.42 -0.16 0.00 -1.23 0.00 0.00 66.70 64.56 1th1 h VAL 291 Cb 1.15 -0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.21 1th1 h VAL 291 CO 0.99 0.22 -0.58 0.11 -1.23 0.00 0.00 177.57 177.08 1th1 h LYS 292 N 1.21 0.43 -0.29 5.19 1.57 -1.99 -1.79 116.57 120.90 1th1 h LYS 292 Ca 0.33 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1th1 h LYS 292 Cb -0.14 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1th1 h LYS 292 CO -0.07 0.89 0.02 0.35 -0.57 0.00 0.00 179.45 180.06 1th1 h PHE 293 N 0.32 0.53 -0.69 -1.35 3.57 -1.90 -2.52 116.94 114.90 1th1 h PHE 293 Ca -0.00 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1th1 h PHE 293 Cb 1.11 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1th1 h PHE 293 CO 0.04 0.62 0.30 -0.07 -2.23 0.00 0.00 178.31 176.96 1th1 h LEU 294 N 0.29 0.91 -1.23 0.59 3.38 -1.28 -1.31 115.31 116.66 1th1 h LEU 294 Ca 0.08 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1th1 h LEU 294 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1th1 h LEU 294 CO 0.01 0.79 -0.19 0.00 0.09 0.00 0.00 178.44 179.15 1th1 h ALA 295 N 1.34 1.36 0.09 1.53 0.00 -1.13 0.15 119.26 122.59 1th1 h ALA 295 Ca 0.24 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1th1 h ALA 295 Cb 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.86 1th1 h ALA 295 CO -0.03 0.44 -0.71 0.82 0.00 0.00 0.00 179.25 179.77 1th1 h ILE 296 N 0.28 1.49 -0.46 0.00 1.08 -1.16 -2.64 117.51 116.10 1th1 h ILE 296 Ca 0.05 -2.36 -0.04 0.00 -0.39 0.00 0.00 64.86 62.12 1th1 h ILE 296 Cb 0.49 2.98 -0.02 0.00 -3.07 0.00 0.00 36.82 37.21 1th1 h ILE 296 CO 0.03 0.67 0.11 0.74 -0.69 0.00 0.00 178.15 179.02 1th1 h THR 297 N -0.29 1.20 -0.01 -0.27 2.02 -1.03 -0.44 112.91 114.09 1th1 h THR 297 Ca -0.11 -0.72 -0.18 0.00 0.77 0.00 0.00 66.41 66.16 1th1 h THR 297 Cb 1.50 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1th1 h THR 297 CO 0.13 0.26 -0.82 0.74 0.37 0.00 0.00 175.52 176.21 1th1 h THR 298 N 0.68 1.48 -0.09 3.16 2.02 -0.80 -2.66 112.91 116.70 1th1 h THR 298 Ca 0.15 -2.52 -0.13 0.00 0.77 0.00 0.00 66.41 64.69 1th1 h THR 298 Cb 0.25 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1th1 h THR 298 CO -0.00 0.73 -0.51 -0.78 0.37 0.00 0.00 175.52 175.33 1th1 h ASP 299 N 0.11 0.28 -0.71 4.18 3.58 -0.93 -1.71 116.42 121.21 1th1 h ASP 299 Ca -0.03 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 1th1 h ASP 299 Cb 1.42 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.37 1th1 h ASP 299 CO 0.12 0.74 0.22 0.00 -2.88 0.00 0.00 179.24 177.45 1th1 h LEU 301 N 1.05 0.80 0.05 0.00 3.38 -1.10 -1.75 115.31 117.74 1th1 h LEU 301 Ca 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1th1 h LEU 301 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1th1 h LEU 301 CO -0.01 0.88 -0.02 -0.61 0.09 0.00 0.00 178.44 178.77 1th1 h GLN 302 N 0.76 -0.06 -0.81 1.13 -0.00 -0.90 0.11 115.11 115.34 1th1 h GLN 302 Ca 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.83 1th1 h GLN 302 Cb 0.50 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.94 1th1 h GLN 302 CO 0.02 0.16 0.52 0.82 0.00 0.00 0.00 178.83 180.35 1th1 h ILE 303 N -0.28 1.13 -0.09 2.39 2.04 -1.17 -1.01 117.51 120.52 1th1 h ILE 303 Ca -0.01 -0.35 -0.23 0.00 1.00 0.00 0.00 64.86 65.27 1th1 h ILE 303 Cb 0.25 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1th1 h ILE 303 CO 0.01 0.19 -0.86 -0.07 0.00 0.00 0.00 178.15 177.42 1th1 h LEU 304 N 1.02 0.85 -0.36 1.44 3.38 -1.22 -3.31 115.31 117.10 1th1 h LEU 304 Ca 0.32 -0.60 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 1th1 h LEU 304 Cb -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1th1 h LEU 304 CO -0.11 1.39 -0.78 0.00 0.09 0.00 0.00 178.44 179.03 1th1 h ALA 305 N 0.58 0.56 -1.42 1.53 0.00 -0.59 -3.42 119.26 116.49 1th1 h ALA 305 Ca -0.07 -0.64 -0.68 0.00 0.00 0.00 0.00 54.91 53.52 1th1 h ALA 305 Cb 1.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1th1 h ALA 305 CO 0.17 0.80 1.22 0.98 0.00 0.00 0.00 179.25 182.42 1th1 n TYR 306 N -3.79 1.88 -0.95 0.00 9.36 -0.40 -1.84 117.16 121.42 1th1 n TYR 306 Ca -0.04 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1th1 n TYR 306 Cb 0.74 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 1th1 n TYR 306 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1th1 n GLY 307 N 5.49 0.26 3.06 2.98 0.00 -1.26 -4.98 105.19 110.75 1th1 n GLY 307 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 1th1 n GLY 307 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1th1 s ASN 308 N -2.08 4.51 0.15 1.61 3.84 -0.77 -5.02 114.94 117.19 1th1 s ASN 308 Ca 0.00 -1.51 -0.16 0.00 0.21 0.00 0.00 52.86 51.39 1th1 s ASN 308 Cb 0.00 -1.57 0.03 0.00 -0.55 0.00 0.00 41.25 39.16 1th1 s ASN 308 CO 0.00 -0.22 1.79 1.56 -2.79 0.00 0.00 177.10 177.44 1th1 h GLN 309 N 7.75 0.41 -0.55 0.43 4.20 -1.94 -2.81 115.11 122.60 1th1 h GLN 309 Ca -0.17 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.53 1th1 h GLN 309 Cb 1.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1th1 h GLN 309 CO 0.47 0.27 0.35 0.93 -0.67 0.00 0.00 178.83 180.18 1th1 h GLU 310 N 0.42 0.69 0.00 1.46 3.07 -1.96 -2.11 114.58 116.15 1th1 h GLU 310 Ca 0.15 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1th1 h GLU 310 Cb 0.02 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1th1 h GLU 310 CO -0.08 0.46 -0.25 0.66 -1.40 0.00 0.00 179.01 178.40 1th1 h SER 311 N 0.71 0.00 0.06 1.42 4.64 -1.86 -1.86 113.55 116.65 1th1 h SER 311 Ca 0.21 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.32 1th1 h SER 311 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1th1 h SER 311 CO -0.06 0.25 -0.76 0.11 -0.87 0.00 0.00 176.83 175.49 1th1 h LYS 312 N 0.00 0.60 -0.18 4.77 1.57 -1.19 -2.65 116.57 119.49 1th1 h LYS 312 Ca -0.00 -0.50 -0.13 0.00 -1.87 0.00 0.00 60.65 58.14 1th1 h LYS 312 Cb 0.68 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1th1 h LYS 312 CO 0.03 1.12 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.50 1th1 h LEU 313 N 0.41 0.49 -0.34 2.94 3.38 -1.01 -2.23 115.31 118.95 1th1 h LEU 313 Ca -0.04 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1th1 h LEU 313 Cb 1.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1th1 h LEU 313 CO 0.15 0.88 -0.11 0.40 0.09 0.00 0.00 178.44 179.84 1th1 h ILE 314 N 0.37 1.28 -0.73 1.22 2.04 -1.29 0.13 117.51 120.53 1th1 h ILE 314 Ca 0.02 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1th1 h ILE 314 Cb 0.95 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1th1 h ILE 314 CO 0.08 0.39 0.45 0.40 0.00 0.00 0.00 178.15 179.47 1th1 h ILE 315 N 0.45 1.08 0.19 -0.67 2.04 -1.40 -1.09 117.51 118.11 1th1 h ILE 315 Ca 0.08 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1th1 h ILE 315 Cb 0.62 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1th1 h ILE 315 CO 0.04 0.16 -0.09 0.25 0.00 0.00 0.00 178.15 178.51 1th1 h LEU 316 N 0.88 -0.22 -2.42 1.44 5.85 -1.17 0.12 115.31 119.79 1th1 h LEU 316 Ca 0.30 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1th1 h LEU 316 Cb 0.05 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1th1 h LEU 316 CO -0.12 0.08 0.12 0.00 -0.34 0.00 0.00 178.44 178.17 1th1 h ALA 317 N 0.22 1.54 -0.67 1.25 0.00 -0.47 -2.37 119.26 118.74 1th1 h ALA 317 Ca -0.03 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1th1 h ALA 317 Cb 0.40 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 1th1 h ALA 317 CO 0.04 -0.16 0.25 -1.13 0.00 0.00 0.00 179.25 178.25 1th1 n SER 318 N -3.61 4.31 -0.37 0.00 3.41 -0.44 -4.92 113.62 112.00 1th1 n SER 318 Ca -0.01 -3.32 -0.04 0.00 -0.26 0.00 0.00 58.87 55.23 1th1 n SER 318 Cb 0.21 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 1th1 n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1th1 n GLY 319 N -0.45 0.59 0.39 5.00 0.00 -0.89 -4.75 105.19 105.08 1th1 n GLY 319 Ca 0.40 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1th1 n GLY 319 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1th1 h GLY 320 N 0.00 -1.16 -0.41 -0.02 0.00 -0.90 -2.68 103.07 97.90 1th1 h GLY 320 Ca -0.09 0.56 0.14 0.00 0.00 0.00 0.00 47.33 47.94 1th1 h GLY 320 CO 0.13 -0.34 -0.17 -2.55 0.00 0.00 0.00 176.54 173.61 1th1 h PRO 321 N -0.72 0.00 -0.68 4.80 0.11 -1.87 -0.68 132.00 132.97 1th1 h PRO 321 Ca -0.03 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1th1 h PRO 321 Cb 0.65 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 1th1 h PRO 321 CO -0.11 0.00 0.29 0.37 -0.21 0.00 0.00 178.00 178.34 1th1 h GLN 322 N 0.00 1.00 -0.19 1.05 5.75 -1.87 0.38 115.11 121.23 1th1 h GLN 322 Ca 0.34 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1th1 h GLN 322 Cb 0.53 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1th1 h GLN 322 CO -0.73 0.82 -0.30 0.00 -2.65 0.00 0.00 178.83 175.98 1th1 h ALA 323 N 1.13 1.14 0.08 3.38 0.00 -0.93 -1.05 119.26 123.01 1th1 h ALA 323 Ca 0.23 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 1th1 h ALA 323 Cb 0.18 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1th1 h ALA 323 CO -0.02 0.55 -1.16 -0.07 0.00 0.00 0.00 179.25 178.54 1th1 h LEU 324 N 0.33 0.82 -0.84 0.00 3.38 -0.76 -3.01 115.31 115.22 1th1 h LEU 324 Ca 0.04 -0.72 -0.09 0.00 0.09 0.00 0.00 57.88 57.20 1th1 h LEU 324 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1th1 h LEU 324 CO 0.05 1.53 -0.12 0.58 0.09 0.00 0.00 178.44 180.57 1th1 h VAL 325 N 0.29 1.26 -0.83 1.22 2.07 -0.80 -2.65 116.25 116.80 1th1 h VAL 325 Ca -0.16 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.21 1th1 h VAL 325 Cb 1.83 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1th1 h VAL 325 CO 0.22 0.39 0.55 0.78 0.02 0.00 0.00 177.57 179.54 1th1 h ASN 326 N 0.66 0.96 -0.62 0.57 -0.26 -1.22 -2.76 115.58 112.91 1th1 h ASN 326 Ca 0.11 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.81 1th1 h ASN 326 Cb 0.59 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 1th1 h ASN 326 CO 0.04 0.69 0.31 0.40 -1.06 0.00 0.00 177.43 177.81 1th1 h ILE 327 N 1.13 1.21 -0.56 2.81 2.04 -1.34 -2.95 117.51 119.85 1th1 h ILE 327 Ca 0.31 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1th1 h ILE 327 Cb -0.13 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1th1 h ILE 327 CO -0.07 0.24 0.14 0.24 0.00 0.00 0.00 178.15 178.70 1th1 h MET 328 N 0.84 0.87 -1.00 2.37 2.86 -1.28 -2.40 114.93 117.18 1th1 h MET 328 Ca 0.21 -0.18 -0.45 0.00 -2.06 0.00 0.00 59.70 57.22 1th1 h MET 328 Cb 0.09 -0.13 -0.27 0.00 0.06 0.00 0.00 31.60 31.36 1th1 h MET 328 CO -0.03 0.78 0.57 2.89 1.06 0.00 0.00 176.91 182.18 1th1 n ARG 329 N -4.27 2.09 0.07 1.72 1.85 -1.08 -4.52 116.66 112.52 1th1 n ARG 329 Ca 0.04 -2.61 0.00 0.00 -1.00 0.00 0.00 57.85 54.28 1th1 n ARG 329 Cb 0.23 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 1th1 n ARG 329 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1th1 n THR 330 N -0.93 0.00 -3.25 8.89 -1.04 -1.08 -5.04 114.28 111.82 1th1 n THR 330 Ca 0.52 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.22 1th1 n THR 330 Cb 1.52 -0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 69.50 1th1 n THR 330 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1th1 s TYR 331 N -2.00 3.44 -0.08 -1.42 1.51 -0.93 -5.02 117.35 112.86 1th1 s TYR 331 Ca 0.00 0.88 0.17 0.00 -1.01 0.00 0.00 57.07 57.10 1th1 s TYR 331 Cb 0.00 -2.28 -0.25 0.00 -0.11 0.00 0.00 41.96 39.32 1th1 s TYR 331 CO 0.00 0.15 0.27 2.41 -1.11 0.00 0.00 175.55 177.27 1th1 n THR 332 N -0.62 0.42 -1.53 -0.71 -1.04 -1.26 -4.90 114.28 104.63 1th1 n THR 332 Ca 0.01 -0.51 -0.47 0.00 -2.04 0.00 0.00 64.05 61.03 1th1 n THR 332 Cb 0.53 -0.15 -0.05 0.00 -1.82 0.00 0.00 70.33 68.85 1th1 n THR 332 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1th1 n TYR 333 N -2.30 1.82 -0.16 -1.42 9.36 -1.26 -4.88 117.16 118.32 1th1 n TYR 333 Ca -0.12 0.06 -0.02 0.00 3.32 0.00 0.00 57.90 61.14 1th1 n TYR 333 Cb 0.67 -2.64 0.07 0.00 -0.63 0.00 0.00 39.34 36.81 1th1 n TYR 333 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1th1 h GLU 334 N 13.55 0.19 0.00 2.98 4.22 -1.99 -2.29 114.58 131.24 1th1 h GLU 334 Ca -0.35 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.07 1th1 h GLU 334 Cb 1.28 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1th1 h GLU 334 CO 0.99 0.13 -0.03 0.87 -2.18 0.00 0.00 179.01 178.79 1th1 h LYS 335 N 0.20 0.00 0.05 1.92 1.57 -1.98 -0.69 116.57 117.64 1th1 h LYS 335 Ca 0.25 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1th1 h LYS 335 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.68 1th1 h LYS 335 CO -0.36 0.03 -0.31 1.25 -0.57 0.00 0.00 179.45 179.50 1th1 h LEU 336 N 0.00 0.18 -0.86 2.94 5.85 -1.74 -2.83 115.31 118.85 1th1 h LEU 336 Ca -0.00 -0.97 0.03 0.00 0.84 0.00 0.00 57.88 57.77 1th1 h LEU 336 Cb 0.06 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1th1 h LEU 336 CO 0.00 1.14 0.56 -0.07 -0.34 0.00 0.00 178.44 179.73 1th1 h LEU 337 N -0.75 0.94 -0.23 2.25 3.38 -1.10 0.29 115.31 120.08 1th1 h LEU 337 Ca -0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1th1 h LEU 337 Cb 1.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1th1 h LEU 337 CO 0.06 0.66 -0.02 -0.25 0.09 0.00 0.00 178.44 178.97 1th1 h TRP 338 N 1.10 0.47 -0.40 1.13 7.01 -1.26 -0.08 115.95 123.92 1th1 h TRP 338 Ca 0.33 -0.09 -0.11 0.00 2.11 0.00 0.00 58.89 61.14 1th1 h TRP 338 Cb -0.04 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 1th1 h TRP 338 CO -0.02 0.62 -0.19 1.15 -2.79 0.00 0.00 178.44 177.21 1th1 h THR 339 N 0.18 1.27 -0.37 2.65 2.02 -1.20 -2.01 112.91 115.45 1th1 h THR 339 Ca 0.06 -1.29 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 1th1 h THR 339 Cb 0.45 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1th1 h THR 339 CO 0.02 0.43 -0.22 0.74 0.37 0.00 0.00 175.52 176.86 1th1 h THR 340 N 0.68 1.27 0.00 3.16 2.02 -0.32 -2.48 112.91 117.24 1th1 h THR 340 Ca 0.10 -1.32 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 1th1 h THR 340 Cb 0.69 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1th1 h THR 340 CO 0.05 0.44 -0.41 0.77 0.37 0.00 0.00 175.52 176.73 1th1 h SER 341 N 0.63 0.00 -0.07 4.18 4.64 -0.65 -1.65 113.55 120.62 1th1 h SER 341 Ca 0.09 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 1th1 h SER 341 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1th1 h SER 341 CO 0.05 0.41 -0.47 0.03 -0.87 0.00 0.00 176.83 175.99 1th1 h ARG 342 N 0.00 0.63 -0.30 4.77 3.08 -1.04 0.90 114.38 122.43 1th1 h ARG 342 Ca -0.00 -0.36 -0.11 0.00 0.07 0.00 0.00 59.98 59.58 1th1 h ARG 342 Cb 0.77 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1th1 h ARG 342 CO 0.05 0.96 -0.24 0.28 -1.07 0.00 0.00 179.97 179.96 1th1 h VAL 343 N 0.50 1.30 -0.22 2.04 2.07 -1.08 -1.85 116.25 119.02 1th1 h VAL 343 Ca 0.03 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1th1 h VAL 343 Cb 1.01 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1th1 h VAL 343 CO 0.09 0.44 -0.05 -0.07 0.02 0.00 0.00 177.57 178.01 1th1 h LEU 344 N 0.43 0.31 -0.50 2.57 3.38 -1.10 -0.06 115.31 120.34 1th1 h LEU 344 Ca 0.05 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1th1 h LEU 344 Cb 0.79 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1th1 h LEU 344 CO 0.06 0.40 -0.14 0.50 0.09 0.00 0.00 178.44 179.36 1th1 h LYS 345 N 0.32 0.98 -0.35 1.13 3.64 -0.56 -0.10 116.57 121.63 1th1 h LYS 345 Ca 0.07 -0.38 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 1th1 h LYS 345 Cb 0.30 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1th1 h LYS 345 CO 0.01 1.06 -0.24 0.28 -2.27 0.00 0.00 179.45 178.28 1th1 h VAL 346 N 0.84 1.29 0.00 2.00 2.07 -0.73 -3.11 116.25 118.60 1th1 h VAL 346 Ca 0.12 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 1th1 h VAL 346 Cb 0.71 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1th1 h VAL 346 CO 0.05 0.46 -0.42 -0.07 0.02 0.00 0.00 177.57 177.61 1th1 h LEU 347 N 0.56 0.00 -0.90 2.57 3.38 -0.85 -3.22 115.31 116.84 1th1 h LEU 347 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1th1 h LEU 347 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1th1 h LEU 347 CO 0.07 0.42 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 1th1 n SER 348 N -3.72 0.62 0.00 -0.43 3.41 -0.07 -2.03 113.62 111.41 1th1 n SER 348 Ca -0.01 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 1th1 n SER 348 Cb 0.50 -0.81 0.22 0.00 -0.26 0.00 0.00 64.21 63.86 1th1 n SER 348 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1th1 n VAL 349 N -2.23 0.00 -2.88 -3.33 0.24 -1.22 -4.55 118.33 104.36 1th1 n VAL 349 Ca 0.01 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.90 1th1 n VAL 349 Cb 0.17 0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 32.82 1th1 n VAL 349 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1th1 h SER 351 N 7.14 0.00 0.00 0.00 4.64 -1.88 -1.40 113.55 122.05 1th1 h SER 351 Ca -0.33 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.66 1th1 h SER 351 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 1th1 h SER 351 CO 0.81 0.00 -2.25 -1.54 -0.87 0.00 0.00 176.83 172.98 1th1 n SER 352 N -2.80 0.81 0.08 4.97 3.41 -1.26 -4.45 113.62 114.38 1th1 n SER 352 Ca -0.02 -0.02 -0.06 0.00 -0.26 0.00 0.00 58.87 58.51 1th1 n SER 352 Cb 0.09 0.74 0.10 0.00 -0.26 0.00 0.00 64.21 64.88 1th1 n SER 352 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1th1 h ASN 353 N 0.00 0.30 0.43 4.04 2.35 -1.74 -3.33 115.58 117.63 1th1 h ASN 353 Ca -0.49 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.07 1th1 h ASN 353 Cb 2.06 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 40.32 1th1 h ASN 353 CO 0.01 0.85 -0.50 0.50 -1.65 0.00 0.00 177.43 176.64 1th1 h LYS 354 N 0.19 -0.91 0.00 0.81 3.64 -1.42 -1.72 116.57 117.16 1th1 h LYS 354 Ca -0.01 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1th1 h LYS 354 Cb 1.14 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1th1 h LYS 354 CO 0.10 -0.60 0.00 -0.35 -2.27 0.00 0.00 179.45 176.32 1th1 n PRO 355 N -5.43 0.16 0.06 1.90 -0.04 -1.25 -2.47 135.00 127.93 1th1 n PRO 355 Ca -0.11 0.46 -0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1th1 n PRO 355 Cb 0.44 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 31.93 1th1 n PRO 355 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1th1 h ALA 356 N 2.22 0.31 -0.08 0.55 0.00 -1.56 -2.44 119.26 118.26 1th1 h ALA 356 Ca 0.00 -0.99 -0.18 0.00 0.00 0.00 0.00 54.91 53.74 1th1 h ALA 356 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1th1 h ALA 356 CO 0.00 1.19 -0.71 0.82 0.00 0.00 0.00 179.25 180.55 1th1 h ILE 357 N 0.03 1.38 0.12 0.00 2.04 -1.00 -2.70 117.51 117.38 1th1 h ILE 357 Ca -0.11 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 1th1 h ILE 357 Cb 1.89 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 40.06 1th1 h ILE 357 CO 0.15 0.63 -0.06 0.58 0.00 0.00 0.00 178.15 179.46 1th1 h VAL 358 N 0.26 1.00 0.00 1.67 2.07 -1.54 -0.28 116.25 119.43 1th1 h VAL 358 Ca -0.03 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1th1 h VAL 358 Cb 1.27 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1th1 h VAL 358 CO 0.12 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 1th1 n GLU 359 N -5.06 0.10 0.00 1.57 -0.58 -0.92 -1.70 120.64 114.05 1th1 n GLU 359 Ca -0.08 0.36 0.14 0.00 -0.42 0.00 0.00 57.16 57.15 1th1 n GLU 359 Cb 0.17 -1.70 0.61 0.00 -0.57 0.00 0.00 31.44 29.94 1th1 n GLU 359 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1th1 n ALA 360 N -1.65 2.71 -1.21 0.62 0.00 -1.02 -4.88 120.51 115.09 1th1 n ALA 360 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1th1 n ALA 360 Cb 0.19 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1th1 n ALA 360 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1th1 n GLY 361 N 1.19 0.72 0.24 0.00 0.00 -0.69 -4.95 105.19 101.69 1th1 n GLY 361 Ca 0.18 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.51 1th1 n GLY 361 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1th1 h GLY 362 N 0.00 0.27 0.88 -0.02 0.00 -1.12 -2.27 103.07 100.81 1th1 h GLY 362 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 1th1 h GLY 362 CO 0.00 0.16 0.04 -0.33 0.00 0.00 0.00 176.54 176.41 1th1 h MET 363 N 0.23 0.49 -0.18 4.80 2.86 -1.81 -1.68 114.93 119.64 1th1 h MET 363 Ca 0.05 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.38 1th1 h MET 363 Cb 0.43 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1th1 h MET 363 CO 0.03 0.60 -0.57 1.96 1.06 0.00 0.00 176.91 179.98 1th1 h GLN 364 N 0.30 0.58 -0.28 1.72 7.50 -1.91 -1.69 115.11 121.34 1th1 h GLN 364 Ca 0.09 -0.38 -0.14 0.00 0.50 0.00 0.00 58.65 58.72 1th1 h GLN 364 Cb 0.35 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.92 1th1 h GLN 364 CO 0.01 0.99 -0.42 0.00 -1.50 0.00 0.00 178.83 177.91 1th1 h ALA 365 N 0.93 0.75 0.00 3.87 0.00 -1.37 -2.68 119.26 120.76 1th1 h ALA 365 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 1th1 h ALA 365 Cb 1.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1th1 h ALA 365 CO 0.11 0.66 -0.57 -0.07 0.00 0.00 0.00 179.25 179.38 1th1 h LEU 366 N 0.55 0.00 -1.95 0.00 3.38 -1.29 -3.11 115.31 112.90 1th1 h LEU 366 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1th1 h LEU 366 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1th1 h LEU 366 CO 0.09 0.57 -0.11 1.23 0.09 0.00 0.00 178.44 180.31 1th1 h GLY 367 N 2.74 0.00 2.00 0.83 0.00 -0.97 -2.85 103.07 104.82 1th1 h GLY 367 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1th1 h GLY 367 CO 0.07 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.02 1th1 h LEU 368 N 0.00 0.00 -1.97 3.11 3.38 -1.43 -3.20 115.31 115.20 1th1 h LEU 368 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1th1 h LEU 368 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1th1 h LEU 368 CO 0.01 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.95 1th1 n HIS 369 N -2.92 0.19 0.86 1.13 8.25 -1.07 -4.57 115.22 117.09 1th1 n HIS 369 Ca 0.00 -0.14 0.08 0.00 -0.26 0.00 0.00 57.72 57.40 1th1 n HIS 369 Cb 0.26 -0.00 0.43 0.00 1.12 0.00 0.00 29.99 31.80 1th1 n HIS 369 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1th1 n LEU 370 N 0.92 0.00 -0.33 2.41 4.77 -1.21 -1.81 117.00 121.75 1th1 n LEU 370 Ca 0.11 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 1th1 n LEU 370 Cb 0.43 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1th1 n LEU 370 CO 0.10 -0.07 0.52 0.41 -1.33 0.00 0.00 177.39 177.03 1th1 n THR 371 N -1.15 0.78 -2.52 -5.08 -1.04 -1.26 -4.97 114.28 99.04 1th1 n THR 371 Ca 0.10 -0.89 -0.39 0.00 -2.04 0.00 0.00 64.05 60.83 1th1 n THR 371 Cb 0.09 0.64 -0.04 0.00 -1.82 0.00 0.00 70.33 69.19 1th1 n THR 371 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1th1 s ASP 372 N -0.90 7.05 0.26 8.00 2.15 -0.75 -4.98 116.67 127.50 1th1 s ASP 372 Ca 0.12 2.14 -0.02 0.00 0.43 0.00 0.00 52.55 55.22 1th1 s ASP 372 Cb 0.06 -2.61 0.49 0.00 -0.30 0.00 0.00 42.92 40.57 1th1 s ASP 372 CO 0.09 -0.29 1.78 -0.65 -0.17 0.00 0.00 175.17 175.93 1th1 h PRO 373 N 3.23 0.68 -6.22 4.34 0.11 -1.96 -3.41 132.00 128.75 1th1 h PRO 373 Ca -0.47 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.02 1th1 h PRO 373 Cb 1.21 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1th1 h PRO 373 CO 0.65 0.45 0.89 -1.54 -0.21 0.00 0.00 178.00 178.24 1th1 s SER 374 N -5.50 6.90 0.54 -2.05 1.04 -1.26 -4.91 113.70 108.46 1th1 s SER 374 Ca -0.12 1.36 0.32 0.00 0.48 0.00 0.00 55.95 57.99 1th1 s SER 374 Cb 0.21 -2.54 1.50 0.00 0.10 0.00 0.00 66.02 65.29 1th1 s SER 374 CO 0.78 -0.85 2.06 1.56 0.98 0.00 0.00 173.24 177.76 1th1 h GLN 375 N 8.32 0.00 -0.13 4.02 1.08 -2.00 -2.84 115.11 123.55 1th1 h GLN 375 Ca -0.24 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.85 1th1 h GLN 375 Cb 1.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 1th1 h GLN 375 CO 1.00 0.08 -0.41 0.07 -0.95 0.00 0.00 178.83 178.63 1th1 h ARG 376 N 0.00 0.30 -0.02 1.46 0.11 -1.96 -0.74 114.38 113.53 1th1 h ARG 376 Ca -0.00 -0.14 -0.11 0.00 0.10 0.00 0.00 59.98 59.83 1th1 h ARG 376 Cb 0.40 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.49 1th1 h ARG 376 CO 0.01 0.66 -0.40 1.25 0.10 0.00 0.00 179.97 181.59 1th1 h LEU 377 N 0.25 0.39 -0.45 0.08 5.85 -1.89 -2.26 115.31 117.27 1th1 h LEU 377 Ca 0.02 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 58.02 1th1 h LEU 377 Cb 0.83 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1th1 h LEU 377 CO 0.07 1.07 0.29 0.58 -0.34 0.00 0.00 178.44 180.10 1th1 h VAL 378 N -0.26 1.09 -0.47 1.05 2.07 -1.46 -1.51 116.25 116.75 1th1 h VAL 378 Ca -0.05 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1th1 h VAL 378 Cb 1.12 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1th1 h VAL 378 CO 0.08 0.11 -0.11 -0.61 0.02 0.00 0.00 177.57 177.06 1th1 h GLN 379 N 0.58 0.87 -0.17 1.57 5.75 -1.20 -1.18 115.11 121.34 1th1 h GLN 379 Ca 0.17 -0.30 -0.17 0.00 -0.15 0.00 0.00 58.65 58.21 1th1 h GLN 379 Cb -0.04 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1th1 h GLN 379 CO -0.06 0.93 -0.58 -0.91 -2.65 0.00 0.00 178.83 175.57 1th1 h ASN 380 N 0.78 0.61 -0.64 -0.69 2.35 -1.21 -1.17 115.58 115.61 1th1 h ASN 380 Ca 0.13 -0.34 -0.09 0.00 -0.55 0.00 0.00 56.30 55.45 1th1 h ASN 380 Cb 0.62 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1th1 h ASN 380 CO 0.04 1.05 0.04 0.00 -1.65 0.00 0.00 177.43 176.92 1th1 h LEU 382 N 1.01 0.71 -0.94 0.00 3.38 -0.99 0.22 115.31 118.71 1th1 h LEU 382 Ca 0.19 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1th1 h LEU 382 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1th1 h LEU 382 CO 0.02 0.81 -0.18 -0.50 0.09 0.00 0.00 178.44 178.68 1th1 h TRP 383 N 0.60 0.62 -0.05 1.13 6.55 -1.11 -0.03 115.95 123.65 1th1 h TRP 383 Ca 0.13 -0.12 -0.03 0.00 0.95 0.00 0.00 58.89 59.83 1th1 h TRP 383 Cb 0.41 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 28.55 1th1 h TRP 383 CO 0.03 0.72 -0.07 1.15 -1.05 0.00 0.00 178.44 179.21 1th1 h THR 384 N 0.51 1.40 -0.38 1.49 2.02 -0.98 -1.85 112.91 115.12 1th1 h THR 384 Ca 0.08 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1th1 h THR 384 Cb 0.61 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 1th1 h THR 384 CO 0.04 0.36 0.25 -0.07 0.37 0.00 0.00 175.52 176.47 1th1 h LEU 385 N -0.34 0.43 -0.30 2.58 3.38 -0.45 -0.95 115.31 119.68 1th1 h LEU 385 Ca 0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1th1 h LEU 385 Cb 0.62 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1th1 h LEU 385 CO 0.02 0.31 -0.53 -0.09 0.09 0.00 0.00 178.44 178.24 1th1 h ARG 386 N 0.51 0.88 -0.50 1.13 2.43 -0.85 -0.39 114.38 117.59 1th1 h ARG 386 Ca 0.14 -0.55 -0.12 0.00 -0.81 0.00 0.00 59.98 58.63 1th1 h ARG 386 Cb -0.06 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1th1 h ARG 386 CO -0.03 1.19 -0.16 -0.91 -1.51 0.00 0.00 179.97 178.55 1th1 h ASN 387 N 0.67 0.98 0.78 -3.80 2.35 -0.83 -3.13 115.58 112.60 1th1 h ASN 387 Ca 0.02 -0.34 -0.12 0.00 -0.55 0.00 0.00 56.30 55.30 1th1 h ASN 387 Cb 1.14 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 1th1 h ASN 387 CO 0.12 1.12 -0.58 -0.07 -1.65 0.00 0.00 177.43 176.37 1th1 h LEU 388 N 0.85 0.00 -1.54 1.61 3.38 -1.09 -3.37 115.31 115.16 1th1 h LEU 388 Ca 0.12 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.37 1th1 h LEU 388 Cb 0.72 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 1th1 h LEU 388 CO 0.06 0.58 0.70 0.77 0.09 0.00 0.00 178.44 180.64 1th1 h SER 389 N 0.00 0.32 0.00 -0.43 4.64 -1.00 -0.79 113.55 116.29 1th1 h SER 389 Ca -0.01 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1th1 h SER 389 Cb 1.13 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1th1 h SER 389 CO 0.08 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.20 1th1 n ASP 390 N -4.51 0.00 0.00 4.97 5.75 -1.26 -2.67 116.55 118.83 1th1 n ASP 390 Ca 0.25 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 1th1 n ASP 390 Cb 0.96 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 1th1 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1th1 n ALA 391 N -0.96 1.76 -0.80 2.12 0.00 -0.31 -4.73 120.51 117.59 1th1 n ALA 391 Ca 0.17 -0.46 0.08 0.00 0.00 0.00 0.00 53.44 53.22 1th1 n ALA 391 Cb 0.08 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.83 1th1 n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th1 n ALA 392 N -0.08 3.12 -0.00 0.00 0.00 -1.09 -4.67 120.51 117.79 1th1 n ALA 392 Ca 0.00 -1.94 0.15 0.00 0.00 0.00 0.00 53.44 51.65 1th1 n ALA 392 Cb 0.13 -0.83 0.61 0.00 0.00 0.00 0.00 19.45 19.36 1th1 n ALA 392 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1th1 h THR 393 N 2.76 0.83 -0.35 0.00 2.02 -1.85 -2.60 112.91 113.73 1th1 h THR 393 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1th1 h THR 393 Cb 1.48 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1th1 h THR 393 CO 0.26 0.03 0.00 0.29 0.37 0.00 0.00 175.52 176.47 1th1 n LYS 394 N -4.44 2.29 -2.48 6.66 5.02 -1.26 -4.64 118.16 119.31 1th1 n LYS 394 Ca 0.08 -2.08 -0.42 0.00 -2.02 0.00 0.00 58.31 53.87 1th1 n LYS 394 Cb 0.45 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 1th1 n LYS 394 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1th1 s GLN 395 N -1.22 4.40 0.57 1.97 2.00 -0.98 -5.05 119.66 121.35 1th1 s GLN 395 Ca 0.32 1.67 -0.00 0.00 -2.00 0.00 0.00 55.36 55.34 1th1 s GLN 395 Cb 0.18 -3.48 0.03 0.00 0.80 0.00 0.00 33.01 30.54 1th1 s GLN 395 CO 0.25 -0.34 0.80 -1.21 -0.50 0.00 0.00 175.29 174.29 1th1 s GLU 396 N 1.73 2.53 -0.84 1.67 0.41 -1.26 -4.60 118.70 118.34 1th1 s GLU 396 Ca 0.56 -0.67 -0.04 0.00 -0.41 0.00 0.00 54.97 54.41 1th1 s GLU 396 Cb -0.26 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 1th1 s GLU 396 CO 0.25 -0.76 0.72 0.41 -0.49 0.00 0.00 175.26 175.39 1th1 n GLY 397 N -2.41 -0.04 0.79 -1.39 0.00 -1.26 -4.97 105.19 95.91 1th1 n GLY 397 Ca 0.07 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1th1 n GLY 397 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1th1 n MET 398 N -3.27 1.72 -0.32 1.61 2.81 -1.26 -4.73 117.12 113.67 1th1 n MET 398 Ca -0.06 -1.68 0.06 0.00 -1.81 0.00 0.00 57.70 54.20 1th1 n MET 398 Cb 0.56 -1.37 0.15 0.00 -0.71 0.00 0.00 33.22 31.85 1th1 n MET 398 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1th1 h GLU 399 N 3.77 0.01 -0.37 0.03 3.07 -1.97 -1.76 114.58 117.35 1th1 h GLU 399 Ca 0.00 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1th1 h GLU 399 Cb 0.81 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1th1 h GLU 399 CO 0.00 0.01 -0.11 0.78 -1.40 0.00 0.00 179.01 178.28 1th1 h GLY 400 N 0.01 0.79 0.88 -3.84 0.00 -2.00 -2.12 103.07 96.79 1th1 h GLY 400 Ca 0.46 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1th1 h GLY 400 CO -0.91 0.61 0.07 -2.00 0.00 0.00 0.00 176.54 174.30 1th1 h LEU 401 N 0.52 0.38 -0.89 3.11 5.85 -1.74 -2.03 115.31 120.51 1th1 h LEU 401 Ca 0.09 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1th1 h LEU 401 Cb 0.63 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1th1 h LEU 401 CO 0.04 0.50 0.58 -0.07 -0.34 0.00 0.00 178.44 179.15 1th1 h LEU 402 N 0.24 0.96 -0.61 2.25 3.38 -1.35 -1.46 115.31 118.73 1th1 h LEU 402 Ca 0.08 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1th1 h LEU 402 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1th1 h LEU 402 CO -0.00 0.67 -0.42 1.23 0.09 0.00 0.00 178.44 180.01 1th1 h GLY 403 N 1.13 0.68 1.10 0.83 0.00 -1.29 -2.61 103.07 102.91 1th1 h GLY 403 Ca 0.35 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 1th1 h GLY 403 CO -0.11 0.63 -0.48 -0.84 0.00 0.00 0.00 176.54 175.74 1th1 h THR 404 N 0.51 1.28 -0.29 4.70 2.02 -0.93 -2.85 112.91 117.35 1th1 h THR 404 Ca 0.04 -1.66 -0.07 0.00 0.77 0.00 0.00 66.41 65.49 1th1 h THR 404 Cb 0.94 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 1th1 h THR 404 CO 0.08 0.54 -0.13 -0.07 0.37 0.00 0.00 175.52 176.32 1th1 h LEU 405 N 0.63 0.47 -1.06 2.58 3.38 -1.27 -0.37 115.31 119.68 1th1 h LEU 405 Ca 0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1th1 h LEU 405 Cb 1.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1th1 h LEU 405 CO 0.11 0.64 -0.08 0.58 0.09 0.00 0.00 178.44 179.78 1th1 h VAL 406 N 0.45 1.23 -0.11 1.22 2.07 -1.40 -2.26 116.25 117.45 1th1 h VAL 406 Ca 0.08 -0.99 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 1th1 h VAL 406 Cb 0.50 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1th1 h VAL 406 CO 0.03 0.33 -0.70 -0.61 0.02 0.00 0.00 177.57 176.65 1th1 h GLN 407 N 0.54 0.49 0.00 1.57 -0.00 -1.15 -3.14 115.11 113.42 1th1 h GLN 407 Ca 0.10 -0.38 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1th1 h GLN 407 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.02 1th1 h GLN 407 CO 0.03 1.01 0.00 -0.07 0.00 0.00 0.00 178.83 179.79 1th1 h LEU 408 N 0.35 0.00 -1.22 -2.39 3.38 -0.51 -2.78 115.31 112.13 1th1 h LEU 408 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1th1 h LEU 408 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1th1 h LEU 408 CO 0.13 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.59 1th1 h LEU 409 N 0.00 0.00 -1.58 1.67 3.38 -1.43 -2.85 115.31 114.51 1th1 h LEU 409 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1th1 h LEU 409 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1th1 h LEU 409 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1th1 n GLY 410 N -0.15 0.88 3.84 0.83 0.00 -1.05 -4.80 105.19 104.74 1th1 n GLY 410 Ca 0.01 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 1th1 n GLY 410 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th1 s SER 411 N -1.43 6.37 0.00 1.61 1.04 -1.07 -4.96 113.70 115.24 1th1 s SER 411 Ca 0.34 1.56 0.30 0.00 0.48 0.00 0.00 55.95 58.62 1th1 s SER 411 Cb 0.19 -2.50 1.40 0.00 0.10 0.00 0.00 66.02 65.21 1th1 s SER 411 CO 0.27 -0.77 1.95 -0.90 0.98 0.00 0.00 173.24 174.77 1th1 n ASP 412 N -2.03 0.70 -4.63 7.02 3.85 -1.26 -4.79 116.55 115.41 1th1 n ASP 412 Ca 0.07 -1.10 -0.41 0.00 -0.71 0.00 0.00 54.79 52.64 1th1 n ASP 412 Cb 0.54 -0.01 -0.06 0.00 -1.35 0.00 0.00 41.12 40.24 1th1 n ASP 412 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1th1 s ASP 413 N -2.11 6.63 0.23 -1.12 -1.08 -1.26 -4.97 116.67 112.97 1th1 s ASP 413 Ca 0.39 0.77 -0.08 0.00 -0.52 0.00 0.00 52.55 53.11 1th1 s ASP 413 Cb 0.21 -2.35 0.20 0.00 -1.46 0.00 0.00 42.92 39.52 1th1 s ASP 413 CO 0.38 -0.38 1.90 0.40 0.52 0.00 0.00 175.17 177.99 1th1 h ILE 414 N 5.38 1.23 -0.03 4.11 5.03 -2.00 -2.74 117.51 128.48 1th1 h ILE 414 Ca -0.27 -0.42 -0.13 0.00 -0.12 0.00 0.00 64.86 63.91 1th1 h ILE 414 Cb 1.12 -0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 34.85 1th1 h ILE 414 CO 0.79 0.22 -0.60 0.78 -0.68 0.00 0.00 178.15 178.66 1th1 h ASN 415 N 1.18 0.11 -0.14 1.72 -0.26 -1.99 -2.14 115.58 114.07 1th1 h ASN 415 Ca 0.32 -0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 55.93 1th1 h ASN 415 Cb -0.12 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.10 1th1 h ASN 415 CO -0.07 0.68 -0.14 0.58 -1.06 0.00 0.00 177.43 177.43 1th1 h VAL 416 N 0.07 1.35 -0.64 2.81 2.07 -1.90 -2.47 116.25 117.54 1th1 h VAL 416 Ca -0.01 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.17 1th1 h VAL 416 Cb 1.07 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1th1 h VAL 416 CO 0.08 0.38 0.18 0.58 0.02 0.00 0.00 177.57 178.82 1th1 h VAL 417 N -0.04 1.25 -0.52 2.57 2.07 -1.47 -0.37 116.25 119.75 1th1 h VAL 417 Ca 0.02 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1th1 h VAL 417 Cb 0.66 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1th1 h VAL 417 CO 0.03 0.34 0.17 0.74 0.02 0.00 0.00 177.57 178.87 1th1 h THR 418 N 0.93 1.23 -0.07 2.57 2.02 -1.40 -1.18 112.91 117.01 1th1 h THR 418 Ca 0.20 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 1th1 h THR 418 Cb 0.32 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1th1 h THR 418 CO -0.00 0.28 -0.07 0.00 0.37 0.00 0.00 175.52 176.10 1th1 h ALA 420 N 0.55 1.74 -0.07 0.00 0.00 -1.00 0.12 119.26 120.61 1th1 h ALA 420 Ca 0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1th1 h ALA 420 Cb 0.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1th1 h ALA 420 CO 0.02 0.22 -0.79 0.00 0.00 0.00 0.00 179.25 178.70 1th1 h ALA 421 N 1.78 0.49 -0.24 0.00 0.00 -1.20 -2.39 119.26 117.72 1th1 h ALA 421 Ca 0.10 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1th1 h ALA 421 Cb 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1th1 h ALA 421 CO -0.02 0.77 -0.55 0.78 0.00 0.00 0.00 179.25 180.22 1th1 h GLY 422 N 1.17 0.79 1.05 0.00 0.00 -0.59 -2.60 103.07 102.88 1th1 h GLY 422 Ca -0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 47.33 46.23 1th1 h GLY 422 CO 0.14 0.83 -0.31 -2.22 0.00 0.00 0.00 176.54 174.97 1th1 h ILE 423 N 0.55 1.28 -0.71 2.60 2.04 -0.83 -3.04 117.51 119.40 1th1 h ILE 423 Ca 0.01 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.34 1th1 h ILE 423 Cb 1.13 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1th1 h ILE 423 CO 0.11 0.49 0.22 -0.07 0.00 0.00 0.00 178.15 178.90 1th1 h LEU 424 N 0.62 1.02 -0.52 1.44 3.38 -1.43 -0.45 115.31 119.37 1th1 h LEU 424 Ca 0.06 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1th1 h LEU 424 Cb 0.89 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1th1 h LEU 424 CO 0.08 0.95 0.08 0.77 0.09 0.00 0.00 178.44 180.41 1th1 h SER 425 N 1.05 0.83 -0.34 -0.43 4.64 -1.45 -1.49 113.55 116.37 1th1 h SER 425 Ca 0.23 -0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 1th1 h SER 425 Cb 0.30 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1th1 h SER 425 CO -0.01 0.88 -0.29 0.78 -0.87 0.00 0.00 176.83 177.32 1th1 h ASN 426 N 0.75 0.84 0.95 4.97 2.35 -1.39 -2.80 115.58 121.26 1th1 h ASN 426 Ca 0.16 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1th1 h ASN 426 Cb 0.40 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1th1 h ASN 426 CO 0.01 1.12 0.00 0.18 -1.65 0.00 0.00 177.43 177.09 1th1 n LEU 427 N -4.20 0.51 -0.35 1.61 4.77 -0.20 -1.86 117.00 117.27 1th1 n LEU 427 Ca -0.03 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1th1 n LEU 427 Cb 0.48 -0.48 0.21 0.00 -2.33 0.00 0.00 43.42 41.31 1th1 n LEU 427 CO 0.46 -0.32 0.50 0.41 -1.33 0.00 0.00 177.39 177.11 1th1 n THR 428 N -2.02 0.00 -2.38 -5.08 -1.04 -0.57 -4.70 114.28 98.49 1th1 n THR 428 Ca 0.04 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 1th1 n THR 428 Cb 0.30 0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 69.55 1th1 n THR 428 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1th1 n ASN 430 N 7.69 -4.02 -4.10 0.00 3.02 -1.26 -4.90 115.26 111.69 1th1 n ASN 430 Ca 0.15 0.14 -0.35 0.00 -0.03 0.00 0.00 54.58 54.49 1th1 n ASN 430 Cb 0.46 -2.96 -0.12 0.00 -0.61 0.00 0.00 39.78 36.56 1th1 n ASN 430 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1th1 s ASN 431 N -1.72 5.18 0.36 6.41 3.84 -1.26 -4.97 114.94 122.78 1th1 s ASN 431 Ca 0.00 -2.17 0.05 0.00 0.21 0.00 0.00 52.86 50.94 1th1 s ASN 431 Cb 0.00 -1.81 0.70 0.00 -0.55 0.00 0.00 41.25 39.60 1th1 s ASN 431 CO 0.00 -0.50 1.98 0.10 -2.79 0.00 0.00 177.10 175.89 1th1 h TYR 432 N 7.84 0.78 -0.53 0.43 -0.00 -1.89 -2.10 116.97 121.50 1th1 h TYR 432 Ca -0.10 0.02 -0.09 0.00 0.00 0.00 0.00 58.73 58.56 1th1 h TYR 432 Cb 1.03 -0.26 -0.02 0.00 0.00 0.00 0.00 36.73 37.48 1th1 h TYR 432 CO 0.56 0.44 -0.03 0.87 -0.00 0.00 0.00 178.16 180.00 1th1 h LYS 433 N 0.80 0.92 -0.22 0.10 1.57 -1.97 -1.13 116.57 116.63 1th1 h LYS 433 Ca 0.29 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1th1 h LYS 433 Cb 0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1th1 h LYS 433 CO -0.09 0.92 -0.53 -0.91 -0.57 0.00 0.00 179.45 178.28 1th1 h ASN 434 N 0.84 0.71 -0.16 0.86 2.35 -1.74 -2.16 115.58 116.27 1th1 h ASN 434 Ca 0.15 -0.37 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1th1 h ASN 434 Cb 0.53 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1th1 h ASN 434 CO 0.03 1.10 0.10 0.11 -1.65 0.00 0.00 177.43 177.12 1th1 h LYS 435 N 0.50 0.22 -0.87 0.81 1.57 -1.08 -1.11 116.57 116.61 1th1 h LYS 435 Ca 0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1th1 h LYS 435 Cb 1.09 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 1th1 h LYS 435 CO 0.11 0.19 0.47 0.52 -0.57 0.00 0.00 179.45 180.16 1th1 h MET 436 N 0.19 1.21 -0.34 3.15 2.86 -1.17 -2.44 114.93 118.40 1th1 h MET 436 Ca 0.06 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.39 1th1 h MET 436 Cb 0.02 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1th1 h MET 436 CO -0.01 0.90 -0.42 0.52 1.06 0.00 0.00 176.91 178.96 1th1 h MET 437 N 1.21 0.85 -0.58 1.72 2.86 -1.15 -2.75 114.93 117.08 1th1 h MET 437 Ca 0.30 -0.46 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1th1 h MET 437 Cb 0.04 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1th1 h MET 437 CO -0.05 1.10 0.04 0.28 1.06 0.00 0.00 176.91 179.34 1th1 h VAL 438 N 0.69 1.26 -0.14 -2.22 2.07 -0.97 -2.53 116.25 114.39 1th1 h VAL 438 Ca 0.05 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1th1 h VAL 438 Cb 1.00 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1th1 h VAL 438 CO 0.10 0.39 -0.21 0.00 0.02 0.00 0.00 177.57 177.86 1th1 n GLN 440 N -4.20 0.15 -0.52 0.00 1.13 -0.99 -3.59 117.38 109.36 1th1 n GLN 440 Ca -0.01 0.11 0.08 0.00 -1.94 0.00 0.00 57.00 55.24 1th1 n GLN 440 Cb 0.33 -1.66 0.29 0.00 0.11 0.00 0.00 30.24 29.31 1th1 n GLN 440 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1th1 n VAL 441 N -1.92 2.35 -2.45 5.09 0.24 -1.01 -4.95 118.33 115.68 1th1 n VAL 441 Ca 0.06 -1.78 -0.04 0.00 -2.04 0.00 0.00 64.34 60.54 1th1 n VAL 441 Cb 0.39 -0.24 0.01 0.00 -1.47 0.00 0.00 33.84 32.53 1th1 n VAL 441 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1th1 n GLY 442 N -0.28 0.48 0.23 7.63 0.00 -1.24 -4.95 105.19 107.06 1th1 n GLY 442 Ca 0.22 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1th1 n GLY 442 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1th1 h GLY 443 N -0.31 0.90 0.92 -0.02 0.00 -1.33 -2.90 103.07 100.33 1th1 h GLY 443 Ca -0.10 -1.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.05 1th1 h GLY 443 CO 0.11 1.05 0.04 -2.22 0.00 0.00 0.00 176.54 175.52 1th1 h ILE 444 N 0.59 1.09 -0.43 2.60 1.08 -1.85 -0.52 117.51 120.06 1th1 h ILE 444 Ca -0.03 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1th1 h ILE 444 Cb 1.31 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1th1 h ILE 444 CO 0.14 0.07 0.26 -0.08 -0.69 0.00 0.00 178.15 177.86 1th1 h GLU 445 N 0.03 0.59 -0.95 2.37 4.81 -1.90 -0.89 114.58 118.65 1th1 h GLU 445 Ca 0.03 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1th1 h GLU 445 Cb 0.08 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1th1 h GLU 445 CO -0.00 0.44 0.62 0.00 -0.73 0.00 0.00 179.01 179.34 1th1 h ALA 446 N 1.12 1.22 -0.01 2.92 0.00 -1.36 0.27 119.26 123.42 1th1 h ALA 446 Ca 0.16 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1th1 h ALA 446 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1th1 h ALA 446 CO -0.03 0.55 -0.75 -0.07 0.00 0.00 0.00 179.25 178.95 1th1 h LEU 447 N 1.24 0.07 -0.20 0.00 3.38 -0.74 -1.17 115.31 117.90 1th1 h LEU 447 Ca 0.36 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 58.08 1th1 h LEU 447 Cb -0.08 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1th1 h LEU 447 CO -0.10 0.79 -0.65 0.58 0.09 0.00 0.00 178.44 179.15 1th1 h VAL 448 N 0.03 1.28 -0.37 1.22 2.07 -0.65 -2.46 116.25 117.39 1th1 h VAL 448 Ca -0.01 -1.85 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 1th1 h VAL 448 Cb 1.33 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1th1 h VAL 448 CO 0.10 0.59 -0.05 -0.09 0.02 0.00 0.00 177.57 178.15 1th1 h ARG 449 N 0.54 0.60 -0.32 1.57 2.43 -0.86 -1.83 114.38 116.52 1th1 h ARG 449 Ca -0.03 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1th1 h ARG 449 Cb 1.28 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1th1 h ARG 449 CO 0.14 0.66 -0.09 1.15 -1.51 0.00 0.00 179.97 180.31 1th1 h THR 450 N 0.56 1.28 -0.51 0.20 2.02 -1.12 -1.78 112.91 113.57 1th1 h THR 450 Ca 0.11 -1.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 1th1 h THR 450 Cb 0.43 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1th1 h THR 450 CO 0.02 0.37 -0.13 0.58 0.37 0.00 0.00 175.52 176.73 1th1 h VAL 451 N 0.40 1.27 -0.34 3.16 2.07 -1.21 -1.12 116.25 120.48 1th1 h VAL 451 Ca 0.08 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1th1 h VAL 451 Cb 0.59 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1th1 h VAL 451 CO 0.03 0.45 0.14 -0.07 0.02 0.00 0.00 177.57 178.14 1th1 h LEU 452 N 0.86 0.46 -1.10 2.57 -0.00 -1.28 -2.99 115.31 113.84 1th1 h LEU 452 Ca 0.13 -0.15 -0.09 0.00 -0.00 0.00 0.00 57.88 57.77 1th1 h LEU 452 Cb 0.68 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1th1 h LEU 452 CO 0.05 0.48 -0.32 0.03 -0.00 0.00 0.00 178.44 178.68 1th1 h ARG 453 N 0.40 0.23 -0.15 1.13 3.08 -1.21 -3.29 114.38 114.56 1th1 h ARG 453 Ca 0.11 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 1th1 h ARG 453 Cb 0.16 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1th1 h ARG 453 CO -0.01 0.53 -0.78 0.00 -1.07 0.00 0.00 179.97 178.64 1th1 h ALA 454 N 1.47 0.33 -0.35 0.04 0.00 -1.06 -3.49 119.26 116.20 1th1 h ALA 454 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1th1 h ALA 454 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1th1 h ALA 454 CO 0.05 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1th1 n GLY 455 N 0.69 2.76 0.26 0.00 0.00 -1.16 -2.84 105.19 104.89 1th1 n GLY 455 Ca -0.07 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.87 1th1 n GLY 455 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1th1 n ASP 456 N 9.29 0.97 -4.55 1.61 5.68 -1.26 -4.83 116.55 123.45 1th1 n ASP 456 Ca 0.00 -0.97 -0.37 0.00 -0.50 0.00 0.00 54.79 52.95 1th1 n ASP 456 Cb 0.00 0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 1th1 n ASP 456 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1th1 s ARG 457 N -2.35 2.85 0.20 0.11 0.52 -1.13 -4.86 118.95 114.28 1th1 s ARG 457 Ca 0.30 0.02 0.22 0.00 -0.52 0.00 0.00 55.73 55.75 1th1 s ARG 457 Cb 0.20 -4.60 0.90 0.00 0.52 0.00 0.00 34.95 31.97 1th1 s ARG 457 CO 0.46 -2.69 1.67 0.39 0.02 0.00 0.00 175.30 175.15 1th1 n GLU 458 N 9.12 0.16 0.12 3.54 1.02 -1.26 -1.65 120.64 131.69 1th1 n GLU 458 Ca 0.22 0.37 0.01 0.00 -0.02 0.00 0.00 57.16 57.74 1th1 n GLU 458 Cb 0.50 -1.79 0.33 0.00 -0.02 0.00 0.00 31.44 30.47 1th1 n GLU 458 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1th1 h ASP 459 N 0.00 0.20 0.01 1.62 5.19 -2.00 -1.96 116.42 119.48 1th1 h ASP 459 Ca 0.00 -0.06 -0.41 0.00 -0.62 0.00 0.00 57.03 55.95 1th1 h ASP 459 Cb 0.37 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.76 1th1 h ASP 459 CO 0.00 0.46 -2.42 -0.38 -3.12 0.00 0.00 179.24 173.78 1th1 n ILE 460 N -4.17 1.53 -0.10 0.35 5.41 -1.09 -4.56 119.36 116.73 1th1 n ILE 460 Ca -0.01 -0.51 -0.10 0.00 1.00 0.00 0.00 62.75 63.13 1th1 n ILE 460 Cb 0.35 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.66 1th1 n ILE 460 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1th1 h THR 461 N -0.32 1.22 0.12 1.39 2.02 -1.32 -2.67 112.91 113.35 1th1 h THR 461 Ca -0.60 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1th1 h THR 461 Cb 1.81 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.35 1th1 h THR 461 CO -0.18 0.25 -0.10 -0.08 0.37 0.00 0.00 175.52 175.78 1th1 h GLU 462 N 0.32 -0.22 0.00 6.66 4.81 -1.62 -0.51 114.58 124.02 1th1 h GLU 462 Ca 0.09 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1th1 h GLU 462 Cb 0.31 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1th1 h GLU 462 CO 0.00 -0.15 -0.49 -1.00 -0.73 0.00 0.00 179.01 176.65 1th1 h PRO 463 N -0.23 0.00 -0.37 0.92 0.13 -1.79 -1.30 132.00 129.36 1th1 h PRO 463 Ca -0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1th1 h PRO 463 Cb 0.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 1th1 h PRO 463 CO -0.02 0.49 0.02 0.00 -0.23 0.00 0.00 178.00 178.26 1th1 h ALA 464 N 1.51 0.50 -0.15 -0.56 0.00 -1.32 0.88 119.26 120.13 1th1 h ALA 464 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1th1 h ALA 464 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1th1 h ALA 464 CO 0.06 0.26 -0.48 0.82 0.00 0.00 0.00 179.25 179.91 1th1 h ILE 465 N 0.48 1.33 -0.53 0.00 1.08 -1.01 -1.67 117.51 117.19 1th1 h ILE 465 Ca 0.11 -1.70 -0.12 0.00 -0.39 0.00 0.00 64.86 62.76 1th1 h ILE 465 Cb 0.44 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 1th1 h ILE 465 CO 0.02 0.52 -0.13 0.00 -0.69 0.00 0.00 178.15 177.87 1th1 h ALA 467 N 0.91 0.86 -0.32 0.00 0.00 -0.57 -1.38 119.26 118.76 1th1 h ALA 467 Ca 0.13 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1th1 h ALA 467 Cb 0.70 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1th1 h ALA 467 CO 0.05 0.37 -0.12 -0.07 0.00 0.00 0.00 179.25 179.47 1th1 h LEU 468 N 0.92 0.53 -0.71 0.00 3.38 -1.04 -1.47 115.31 116.93 1th1 h LEU 468 Ca 0.24 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1th1 h LEU 468 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1th1 h LEU 468 CO -0.04 0.69 -0.46 -0.09 0.09 0.00 0.00 178.44 178.63 1th1 h ARG 469 N 0.51 0.44 -0.12 1.13 2.43 -0.33 -2.67 114.38 115.77 1th1 h ARG 469 Ca 0.09 -0.24 -0.22 0.00 -0.81 0.00 0.00 59.98 58.81 1th1 h ARG 469 Cb 0.52 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1th1 h ARG 469 CO 0.03 0.81 -0.79 0.45 -1.51 0.00 0.00 179.97 178.97 1th1 h HIS 470 N 0.36 0.92 0.00 2.20 3.86 -0.91 -3.08 115.15 118.49 1th1 h HIS 470 Ca 0.02 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1th1 h HIS 470 Cb 0.94 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1th1 h HIS 470 CO 0.03 1.23 0.00 1.28 0.86 0.00 0.00 177.93 181.33 1th1 n LEU 471 N -3.90 0.00 -0.84 2.43 4.77 -0.59 -3.07 117.00 115.81 1th1 n LEU 471 Ca -0.07 0.40 0.07 0.00 -0.03 0.00 0.00 56.01 56.39 1th1 n LEU 471 Cb 0.75 -0.40 0.23 0.00 -2.33 0.00 0.00 43.42 41.66 1th1 n LEU 471 CO 0.52 -0.14 0.69 0.41 -1.33 0.00 0.00 177.39 177.53 1th1 n THR 472 N -1.40 1.81 -3.63 -5.08 -1.04 -1.02 -4.46 114.28 99.46 1th1 n THR 472 Ca 0.07 -1.53 -0.14 0.00 -2.04 0.00 0.00 64.05 60.41 1th1 n THR 472 Cb 0.19 0.03 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 1th1 n THR 472 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1th1 s SER 473 N -1.54 -0.38 -1.30 8.00 1.04 -1.17 -4.78 113.70 113.56 1th1 s SER 473 Ca 0.36 0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.92 1th1 s SER 473 Cb 0.26 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 1th1 s SER 473 CO 0.12 -0.62 0.58 0.54 0.98 0.00 0.00 173.24 174.84 1th1 n ARG 474 N 0.73 -2.76 -3.53 4.02 1.74 -1.26 -4.94 116.66 110.66 1th1 n ARG 474 Ca -0.19 0.44 -0.07 0.00 -0.77 0.00 0.00 57.85 57.26 1th1 n ARG 474 Cb 0.59 -4.44 -0.02 0.00 -1.02 0.00 0.00 32.46 27.57 1th1 n ARG 474 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1th1 s HIS 475 N -3.76 -0.28 0.59 -1.55 -3.43 -1.26 -4.79 115.29 100.81 1th1 s HIS 475 Ca 0.16 0.17 0.29 0.00 -0.80 0.00 0.00 55.06 54.89 1th1 s HIS 475 Cb -0.06 0.53 1.74 0.00 -1.43 0.00 0.00 32.58 33.37 1th1 s HIS 475 CO 0.87 -0.46 2.17 1.96 -2.00 0.00 0.00 174.74 177.28 1th1 h GLN 476 N 2.00 0.00 -0.60 -0.38 4.20 -1.95 -2.26 115.11 116.11 1th1 h GLN 476 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1th1 h GLN 476 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1th1 h GLN 476 CO 0.29 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.84 1th1 n GLU 477 N -3.79 3.10 -0.26 1.46 -0.58 -1.26 -4.56 120.64 114.75 1th1 n GLU 477 Ca -0.00 -2.62 -0.06 0.00 -0.42 0.00 0.00 57.16 54.06 1th1 n GLU 477 Cb 0.22 -1.63 0.05 0.00 -0.57 0.00 0.00 31.44 29.52 1th1 n GLU 477 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1th1 h ALA 478 N 3.63 0.93 -0.75 0.62 0.00 -1.62 -1.69 119.26 120.38 1th1 h ALA 478 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1th1 h ALA 478 Cb 1.11 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1th1 h ALA 478 CO 0.09 0.48 0.48 1.49 0.00 0.00 0.00 179.25 181.78 1th1 h GLU 479 N 1.01 0.99 -0.42 0.00 4.81 -1.81 0.12 114.58 119.28 1th1 h GLU 479 Ca 0.25 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1th1 h GLU 479 Cb 0.09 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1th1 h GLU 479 CO -0.03 0.67 -0.09 1.98 -0.73 0.00 0.00 179.01 180.80 1th1 h MET 480 N 1.01 0.81 -0.47 1.92 4.05 -1.82 -2.82 114.93 117.63 1th1 h MET 480 Ca 0.27 -0.31 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 1th1 h MET 480 Cb -0.09 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 1th1 h MET 480 CO -0.06 0.93 -0.01 0.00 0.23 0.00 0.00 176.91 178.00 1th1 h ALA 481 N 0.86 1.11 -0.67 0.39 0.00 -0.81 0.61 119.26 120.74 1th1 h ALA 481 Ca 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1th1 h ALA 481 Cb 0.62 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1th1 h ALA 481 CO 0.04 0.57 0.29 1.96 0.00 0.00 0.00 179.25 182.11 1th1 h GLN 482 N 0.72 0.99 -0.06 0.00 4.20 -0.88 -2.55 115.11 117.53 1th1 h GLN 482 Ca 0.14 -0.17 -0.24 0.00 0.06 0.00 0.00 58.65 58.44 1th1 h GLN 482 Cb 0.46 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 28.09 1th1 h GLN 482 CO 0.02 0.81 -0.90 -0.91 -0.67 0.00 0.00 178.83 177.18 1th1 h ASN 483 N 0.94 0.89 -0.66 1.46 4.21 -1.25 -3.30 115.58 117.88 1th1 h ASN 483 Ca 0.23 -0.70 0.05 0.00 1.21 0.00 0.00 56.30 57.09 1th1 h ASN 483 Cb 0.18 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.07 1th1 h ASN 483 CO -0.02 1.46 0.43 0.00 -1.29 0.00 0.00 177.43 178.01 1th1 h ALA 484 N 0.45 1.69 -0.78 -0.83 0.00 -0.68 -0.09 119.26 119.02 1th1 h ALA 484 Ca -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1th1 h ALA 484 Cb 1.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1th1 h ALA 484 CO 0.18 0.23 0.44 0.28 0.00 0.00 0.00 179.25 180.38 1th1 h VAL 485 N 0.73 1.23 0.02 0.00 2.07 -1.53 -0.36 116.25 118.40 1th1 h VAL 485 Ca 0.27 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1th1 h VAL 485 Cb 0.16 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1th1 h VAL 485 CO -0.08 0.25 -0.01 -0.09 0.02 0.00 0.00 177.57 177.66 1th1 h ARG 486 N 1.07 -0.03 0.00 1.57 2.43 -1.46 0.42 114.38 118.38 1th1 h ARG 486 Ca 0.28 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1th1 h ARG 486 Cb 0.00 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1th1 h ARG 486 CO -0.05 0.44 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.79 1th1 h LEU 487 N -0.51 0.00 -3.52 3.80 3.38 -0.78 -0.91 115.31 116.78 1th1 h LEU 487 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1th1 h LEU 487 Cb 0.48 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 1th1 h LEU 487 CO 0.00 0.00 0.13 1.41 0.09 0.00 0.00 178.44 180.07 1th1 n HIS 488 N -3.09 1.73 -3.83 1.13 8.25 -0.17 -4.95 115.22 114.30 1th1 n HIS 488 Ca -0.02 -1.23 -0.27 0.00 -0.26 0.00 0.00 57.72 55.94 1th1 n HIS 488 Cb 0.11 -0.55 0.03 0.00 1.12 0.00 0.00 29.99 30.71 1th1 n HIS 488 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1th1 n TYR 489 N -0.53 -2.19 0.05 4.41 4.02 -0.34 -4.91 117.16 117.67 1th1 n TYR 489 Ca 0.34 0.89 0.01 0.00 -0.01 0.00 0.00 57.90 59.13 1th1 n TYR 489 Cb 1.18 -4.17 -0.07 0.00 -0.02 0.00 0.00 39.34 36.26 1th1 n TYR 489 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1th1 h GLY 490 N -2.04 0.00 0.74 2.72 0.00 -0.29 -3.40 103.07 100.80 1th1 h GLY 490 Ca -0.59 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.79 1th1 h GLY 490 CO 0.63 0.00 0.51 1.41 0.00 0.00 0.00 176.54 179.09 1th1 h LEU 491 N 0.00 0.80 -0.76 3.11 3.38 -1.85 -2.31 115.31 117.68 1th1 h LEU 491 Ca -0.13 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1th1 h LEU 491 Cb 1.51 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 1th1 h LEU 491 CO 0.04 0.52 0.49 -0.65 0.09 0.00 0.00 178.44 178.94 1th1 h PRO 492 N 0.94 0.96 -0.15 1.13 0.11 -1.95 -1.74 132.00 131.30 1th1 h PRO 492 Ca 0.36 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.24 1th1 h PRO 492 Cb 0.14 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1th1 h PRO 492 CO -0.16 0.63 -0.60 -0.24 -0.21 0.00 0.00 178.00 177.42 1th1 h VAL 493 N 0.99 1.33 -0.60 3.15 3.04 -1.78 -1.94 116.25 120.44 1th1 h VAL 493 Ca 0.29 -1.88 -0.08 0.00 -1.01 0.00 0.00 66.70 64.02 1th1 h VAL 493 Cb -0.05 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 1th1 h VAL 493 CO -0.09 0.58 0.05 0.58 -1.01 0.00 0.00 177.57 177.69 1th1 h VAL 494 N 0.39 1.26 -0.09 1.51 2.07 -1.22 -2.31 116.25 117.85 1th1 h VAL 494 Ca -0.00 -1.07 -0.15 0.00 0.82 0.00 0.00 66.70 66.30 1th1 h VAL 494 Cb 1.15 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1th1 h VAL 494 CO 0.11 0.39 -0.59 0.58 0.02 0.00 0.00 177.57 178.08 1th1 h VAL 495 N 0.93 1.37 -0.33 2.57 2.07 -1.27 -3.03 116.25 118.56 1th1 h VAL 495 Ca 0.18 -1.93 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 1th1 h VAL 495 Cb 0.49 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1th1 h VAL 495 CO 0.02 0.58 0.07 0.50 0.02 0.00 0.00 177.57 178.76 1th1 h LYS 496 N 0.22 0.48 0.00 1.57 3.64 -0.97 -2.31 116.57 119.20 1th1 h LYS 496 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1th1 h LYS 496 Cb 1.10 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1th1 h LYS 496 CO 0.09 0.46 0.00 1.28 -2.27 0.00 0.00 179.45 179.01 1th1 n LEU 497 N -4.35 0.00 0.22 5.20 4.77 -0.90 -2.16 117.00 119.78 1th1 n LEU 497 Ca 0.02 0.42 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 1th1 n LEU 497 Cb 0.18 -0.42 0.25 0.00 -2.33 0.00 0.00 43.42 41.10 1th1 n LEU 497 CO 0.37 -0.18 0.80 -0.07 -1.33 0.00 0.00 177.39 176.99 1th1 h LEU 498 N 0.00 0.00-10.23 2.23 3.38 -1.53 -3.42 115.31 105.74 1th1 h LEU 498 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1th1 h LEU 498 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1th1 h LEU 498 CO 0.00 0.07 -0.20 -1.00 0.09 0.00 0.00 178.44 177.40 1th1 s HIS 499 N -3.27 3.50 0.89 1.13 3.76 -0.92 -4.99 115.29 115.39 1th1 s HIS 499 Ca 0.05 0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 1th1 s HIS 499 Cb 0.06 -1.89 0.13 0.00 1.11 0.00 0.00 32.58 31.99 1th1 s HIS 499 CO 0.66 0.14 1.11 -1.25 -0.85 0.00 0.00 174.74 174.55 1th1 s PRO 500 N -4.25 1.29 0.00 8.40 0.04 -1.26 -3.23 135.00 135.99 1th1 s PRO 500 Ca 0.40 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.72 1th1 s PRO 500 Cb -0.10 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.83 1th1 s PRO 500 CO 0.35 -2.35 0.73 -0.35 0.04 0.00 0.00 177.00 175.42 1th1 n PRO 501 N -4.01 0.59 -2.21 0.56 -0.04 -1.26 -5.05 135.00 123.58 1th1 n PRO 501 Ca 0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1th1 n PRO 501 Cb 0.53 -1.07 -0.03 0.00 -0.04 0.00 0.00 33.50 32.89 1th1 n PRO 501 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1th1 s SER 502 N -1.50 6.86 0.89 3.54 1.04 -1.20 -5.02 113.70 118.31 1th1 s SER 502 Ca 0.04 2.22 -0.12 0.00 0.48 0.00 0.00 55.95 58.57 1th1 s SER 502 Cb 0.02 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.69 1th1 s SER 502 CO 0.03 -0.66 1.15 -1.00 0.98 0.00 0.00 173.24 173.74 1th1 s HIS 503 N 1.59 2.62 0.23 5.02 3.76 -1.26 -4.84 115.29 122.41 1th1 s HIS 503 Ca 0.64 0.82 -0.06 0.00 -0.15 0.00 0.00 55.06 56.31 1th1 s HIS 503 Cb -0.34 -3.42 0.37 0.00 1.11 0.00 0.00 32.58 30.29 1th1 s HIS 503 CO 0.29 -2.22 1.77 -1.49 -0.85 0.00 0.00 174.74 172.24 1th1 h TRP 504 N -1.39 0.63 -0.28 1.40 4.06 -1.90 -2.45 115.95 116.03 1th1 h TRP 504 Ca -0.49 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.45 1th1 h TRP 504 Cb 1.33 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 29.30 1th1 h TRP 504 CO 0.28 0.20 -0.01 -1.00 -3.56 0.00 0.00 178.44 174.35 1th1 h PRO 505 N 0.58 0.42 -0.25 0.49 0.13 -1.92 -1.58 132.00 129.87 1th1 h PRO 505 Ca 0.37 -0.08 -0.14 0.00 -0.87 0.00 0.00 66.00 65.28 1th1 h PRO 505 Cb 0.43 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1th1 h PRO 505 CO -0.29 0.46 -0.38 1.25 -0.23 0.00 0.00 178.00 178.81 1th1 h LEU 506 N 0.41 0.77 -0.67 1.56 5.85 -1.88 -2.55 115.31 118.79 1th1 h LEU 506 Ca 0.09 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1th1 h LEU 506 Cb 0.29 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1th1 h LEU 506 CO 0.01 1.14 0.31 0.40 -0.34 0.00 0.00 178.44 179.95 1th1 h ILE 507 N 0.43 1.23 -0.94 4.05 2.04 -1.17 0.17 117.51 123.32 1th1 h ILE 507 Ca 0.02 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1th1 h ILE 507 Cb 0.97 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1th1 h ILE 507 CO 0.09 0.27 0.56 0.50 0.00 0.00 0.00 178.15 179.57 1th1 h LYS 508 N 0.94 1.28 -0.35 2.37 3.64 -1.24 -0.28 116.57 122.93 1th1 h LYS 508 Ca 0.23 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 1th1 h LYS 508 Cb 0.14 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1th1 h LYS 508 CO -0.03 0.90 -0.27 0.00 -2.27 0.00 0.00 179.45 177.79 1th1 h ALA 509 N 1.31 0.51 -0.50 5.00 0.00 -1.02 -2.73 119.26 121.83 1th1 h ALA 509 Ca 0.34 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1th1 h ALA 509 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1th1 h ALA 509 CO -0.06 0.52 -0.11 1.15 0.00 0.00 0.00 179.25 180.74 1th1 h THR 510 N 0.59 1.26 -0.63 0.00 2.02 -0.47 -1.54 112.91 114.15 1th1 h THR 510 Ca 0.07 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 1th1 h THR 510 Cb 0.84 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1th1 h THR 510 CO 0.07 0.43 0.29 0.58 0.37 0.00 0.00 175.52 177.26 1th1 h VAL 511 N 0.83 1.22 -0.24 3.16 2.07 -1.03 -0.89 116.25 121.37 1th1 h VAL 511 Ca 0.13 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1th1 h VAL 511 Cb 0.64 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1th1 h VAL 511 CO 0.04 0.26 -0.18 1.23 0.02 0.00 0.00 177.57 178.95 1th1 h GLY 512 N 0.86 0.45 1.25 2.17 0.00 -1.18 -1.52 103.07 105.10 1th1 h GLY 512 Ca 0.21 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 1th1 h GLY 512 CO -0.03 0.30 -0.34 -2.00 0.00 0.00 0.00 176.54 174.47 1th1 h LEU 513 N 0.38 0.87 -0.92 3.11 5.85 -0.73 -2.76 115.31 121.11 1th1 h LEU 513 Ca 0.07 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 1th1 h LEU 513 Cb 0.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1th1 h LEU 513 CO 0.03 1.13 -0.38 0.40 -0.34 0.00 0.00 178.44 179.28 1th1 h ILE 514 N 0.69 1.30 -0.49 4.05 2.04 -0.76 -0.27 117.51 124.07 1th1 h ILE 514 Ca 0.07 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1th1 h ILE 514 Cb 0.90 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1th1 h ILE 514 CO 0.08 0.44 0.24 -0.09 0.00 0.00 0.00 178.15 178.83 1th1 h ARG 515 N 0.27 0.69 -0.40 2.37 1.12 -1.19 -0.64 114.38 116.60 1th1 h ARG 515 Ca 0.03 -0.10 -0.12 0.00 -1.11 0.00 0.00 59.98 58.68 1th1 h ARG 515 Cb 0.79 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 1th1 h ARG 515 CO 0.06 0.57 -0.22 -0.91 -3.11 0.00 0.00 179.97 176.36 1th1 h ASN 516 N 0.64 0.89 0.34 -3.80 4.21 -1.19 -3.00 115.58 113.67 1th1 h ASN 516 Ca 0.17 -0.41 -0.08 0.00 1.21 0.00 0.00 56.30 57.19 1th1 h ASN 516 Cb 0.10 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 1th1 h ASN 516 CO -0.02 1.11 -0.35 -0.07 -1.29 0.00 0.00 177.43 176.80 1th1 h LEU 517 N 0.67 0.03 0.00 1.61 3.38 -0.75 -2.59 115.31 117.66 1th1 h LEU 517 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1th1 h LEU 517 Cb 0.79 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1th1 h LEU 517 CO 0.06 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1th1 n ALA 518 N -2.47 1.79 0.18 1.53 0.00 -0.27 -2.39 120.51 118.87 1th1 n ALA 518 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.41 1th1 n ALA 518 Cb 0.40 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 18.85 1th1 n ALA 518 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1th1 h LEU 519 N 0.00 0.00 -8.86 0.00 3.38 -1.48 -3.42 115.31 104.93 1th1 h LEU 519 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1th1 h LEU 519 Cb 0.28 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 1th1 h LEU 519 CO 0.00 0.40 0.38 0.00 0.09 0.00 0.00 178.44 179.31 1th1 h PRO 521 N 8.28 0.00 0.00 0.00 0.13 -1.87 -1.01 132.00 137.53 1th1 h PRO 521 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1th1 h PRO 521 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1th1 h PRO 521 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 1th1 n ALA 522 N -2.22 2.42 0.68 -0.56 0.00 -1.26 -2.59 120.51 116.97 1th1 n ALA 522 Ca -0.00 -0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.37 1th1 n ALA 522 Cb 0.27 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 1th1 n ALA 522 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1th1 n ASN 523 N -1.18 0.78 -0.27 0.00 3.02 -0.38 -4.61 115.26 112.62 1th1 n ASN 523 Ca 0.16 -0.80 -0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1th1 n ASN 523 Cb 0.17 1.05 0.12 0.00 -0.61 0.00 0.00 39.78 40.51 1th1 n ASN 523 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1th1 h HIS 524 N 0.00 0.83 0.16 3.10 3.86 -1.55 -2.36 115.15 119.19 1th1 h HIS 524 Ca 0.00 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 58.94 1th1 h HIS 524 Cb 0.39 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.61 1th1 h HIS 524 CO 0.00 0.41 -1.46 0.00 0.86 0.00 0.00 177.93 177.74 1th1 h ALA 525 N 1.37 0.10 0.00 2.45 0.00 -1.82 -3.24 119.26 118.12 1th1 h ALA 525 Ca 0.34 -1.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 1th1 h ALA 525 Cb 0.18 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1th1 h ALA 525 CO -0.18 0.82 -0.19 -1.35 0.00 0.00 0.00 179.25 178.36 1th1 h PRO 526 N -0.13 0.00 -0.03 0.00 0.11 -1.81 -1.25 132.00 128.89 1th1 h PRO 526 Ca -0.29 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.64 1th1 h PRO 526 Cb 1.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 33.00 1th1 h PRO 526 CO 0.13 0.19 -0.75 -0.07 -0.21 0.00 0.00 178.00 177.29 1th1 h LEU 527 N 0.00 0.29 -0.23 2.35 4.07 -1.57 -2.65 115.31 117.57 1th1 h LEU 527 Ca -0.00 -0.20 -0.12 0.00 0.08 0.00 0.00 57.88 57.64 1th1 h LEU 527 Cb 0.45 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.10 1th1 h LEU 527 CO 0.02 0.93 -0.32 -0.09 -1.08 0.00 0.00 178.44 177.90 1th1 h ARG 528 N 0.15 0.62 0.00 1.13 2.43 -1.46 -2.75 114.38 114.51 1th1 h ARG 528 Ca -0.03 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1th1 h ARG 528 Cb 1.32 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1th1 h ARG 528 CO 0.12 0.97 -0.01 0.93 -1.51 0.00 0.00 179.97 180.47 1th1 h GLU 529 N 0.32 0.00 -0.04 0.20 5.08 -1.17 -1.77 114.58 117.19 1th1 h GLU 529 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1th1 h GLU 529 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1th1 h GLU 529 CO 0.08 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.14 1th1 n GLN 530 N -3.13 1.81 -2.10 2.33 1.13 -1.01 -4.95 117.38 111.46 1th1 n GLN 530 Ca -0.01 -1.18 -0.02 0.00 -1.94 0.00 0.00 57.00 53.84 1th1 n GLN 530 Cb 0.19 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 1th1 n GLN 530 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1th1 n GLY 531 N 1.21 0.32 0.26 1.08 0.00 -0.67 -4.94 105.19 102.46 1th1 n GLY 531 Ca 0.18 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1th1 n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th1 h ALA 532 N 0.11 0.60 -0.20 4.61 0.00 -1.66 -3.28 119.26 119.44 1th1 h ALA 532 Ca -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1th1 h ALA 532 Cb 1.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1th1 h ALA 532 CO 0.06 0.61 0.07 0.82 0.00 0.00 0.00 179.25 180.81 1th1 h ILE 533 N 0.75 1.18 -0.05 0.00 2.04 -1.86 -1.23 117.51 118.34 1th1 h ILE 533 Ca 0.09 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1th1 h ILE 533 Cb 0.82 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1th1 h ILE 533 CO 0.07 0.18 -0.18 -0.65 0.00 0.00 0.00 178.15 177.57 1th1 h PRO 534 N 0.16 0.09 -0.10 2.37 0.11 -1.96 -1.71 132.00 130.95 1th1 h PRO 534 Ca 0.07 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.93 1th1 h PRO 534 Cb 0.22 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.33 1th1 h PRO 534 CO -0.00 0.27 -0.83 -0.09 -0.21 0.00 0.00 178.00 177.14 1th1 h ARG 535 N 0.08 0.69 -0.28 1.05 9.65 -1.59 -1.42 114.38 122.55 1th1 h ARG 535 Ca 0.02 -0.60 -0.07 0.00 -1.10 0.00 0.00 59.98 58.23 1th1 h ARG 535 Cb 0.38 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 1th1 h ARG 535 CO 0.03 1.21 -0.11 -0.07 2.80 0.00 0.00 179.97 183.83 1th1 h LEU 536 N 0.45 0.45 -0.30 3.80 3.38 -0.88 -0.08 115.31 122.12 1th1 h LEU 536 Ca -0.07 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 1th1 h LEU 536 Cb 1.46 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1th1 h LEU 536 CO 0.16 0.60 -0.51 0.58 0.09 0.00 0.00 178.44 179.36 1th1 h VAL 537 N 0.44 1.28 -0.59 1.22 2.07 -1.25 -1.56 116.25 117.85 1th1 h VAL 537 Ca 0.08 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 1th1 h VAL 537 Cb 0.46 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1th1 h VAL 537 CO 0.03 0.55 0.16 -0.61 0.02 0.00 0.00 177.57 177.71 1th1 h GLN 538 N 0.66 0.94 -0.45 1.57 4.15 -0.83 -1.00 115.11 120.15 1th1 h GLN 538 Ca 0.02 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.12 1th1 h GLN 538 Cb 1.12 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 1th1 h GLN 538 CO 0.12 0.86 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.68 1th1 h LEU 539 N 0.86 0.83 -0.11 -2.39 3.38 -0.95 -2.64 115.31 114.29 1th1 h LEU 539 Ca 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1th1 h LEU 539 Cb 0.33 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1th1 h LEU 539 CO 0.00 0.97 -0.03 0.25 0.09 0.00 0.00 178.44 179.72 1th1 h LEU 540 N 0.75 0.22 0.05 1.67 5.85 -0.97 -2.50 115.31 120.37 1th1 h LEU 540 Ca 0.12 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1th1 h LEU 540 Cb 0.63 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1th1 h LEU 540 CO 0.04 0.55 -0.02 0.58 -0.34 0.00 0.00 178.44 179.24 1th1 h VAL 541 N -0.11 1.07 -0.50 1.05 2.07 -1.18 -1.22 116.25 117.43 1th1 h VAL 541 Ca 0.03 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1th1 h VAL 541 Cb 0.45 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1th1 h VAL 541 CO 0.01 0.10 0.24 0.03 0.02 0.00 0.00 177.57 177.98 1th1 h ARG 542 N -0.25 0.70 -0.20 1.57 2.47 -1.55 -0.42 114.38 116.70 1th1 h ARG 542 Ca -0.01 -0.08 -0.18 0.00 -1.26 0.00 0.00 59.98 58.45 1th1 h ARG 542 Cb 0.22 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1th1 h ARG 542 CO 0.01 0.54 -0.59 0.00 0.56 0.00 0.00 179.97 180.49 1th1 h ALA 543 N 1.56 0.58 -0.29 0.04 0.00 -1.38 -2.70 119.26 117.08 1th1 h ALA 543 Ca 0.18 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1th1 h ALA 543 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1th1 h ALA 543 CO -0.02 0.69 -0.43 1.25 0.00 0.00 0.00 179.25 180.74 1th1 h HIS 544 N 0.49 0.86 0.00 0.00 -0.00 -0.67 -2.79 115.15 113.05 1th1 h HIS 544 Ca -0.00 -0.27 -0.04 0.00 -0.00 0.00 0.00 60.37 60.06 1th1 h HIS 544 Cb 1.17 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 1th1 h HIS 544 CO 0.06 1.02 -0.20 1.96 -0.00 0.00 0.00 177.93 180.76 1th1 h GLN 545 N 0.58 0.00 0.00 5.26 4.20 -1.02 -1.96 115.11 122.17 1th1 h GLN 545 Ca 0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 1th1 h GLN 545 Cb 0.98 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 1th1 h GLN 545 CO 0.09 0.20 -0.75 0.22 -0.67 0.00 0.00 178.83 177.92 1th1 h ASP 546 N 0.00 0.00 1.71 1.46 3.58 -1.32 -2.93 116.42 118.92 1th1 h ASP 546 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1th1 h ASP 546 Cb 0.53 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 1th1 h ASP 546 CO 0.03 0.70 -0.20 0.74 -2.88 0.00 0.00 179.24 177.62 1th1 h THR 547 N 0.00 0.36 0.03 2.25 2.02 -1.14 -2.84 112.91 113.59 1th1 h THR 547 Ca -0.02 -1.45 -0.25 0.00 0.77 0.00 0.00 66.41 65.46 1th1 h THR 547 Cb 1.55 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 70.06 1th1 h THR 547 CO 0.09 0.20 -1.25 1.56 0.37 0.00 0.00 175.52 176.49 1th1 h GLN 548 N 0.00 0.06 0.00 6.66 1.08 -1.29 -3.23 115.11 118.39 1th1 h GLN 548 Ca -0.00 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1th1 h GLN 548 Cb 1.11 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1th1 h GLN 548 CO 0.03 0.93 -0.38 0.07 -0.95 0.00 0.00 178.83 178.53 1th1 h ARG 549 N 0.02 0.00 -0.82 1.46 0.11 -1.55 -3.26 114.38 110.33 1th1 h ARG 549 Ca -0.11 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.74 1th1 h ARG 549 Cb 1.88 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.82 1th1 h ARG 549 CO 0.13 0.02 0.28 0.54 0.10 0.00 0.00 179.97 181.05 1th1 n ARG 550 N -2.96 3.23 -0.09 0.08 1.74 -1.07 -3.93 116.66 113.65 1th1 n ARG 550 Ca 0.02 -2.65 -0.12 0.00 -0.77 0.00 0.00 57.85 54.34 1th1 n ARG 550 Cb 0.55 -2.09 -0.09 0.00 -1.02 0.00 0.00 32.46 29.81 1th1 n ARG 550 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1th1 n THR 551 N -0.19 1.06 -1.86 0.55 -1.04 -1.22 -4.98 114.28 106.60 1th1 n THR 551 Ca 0.38 -0.46 0.05 0.00 -2.04 0.00 0.00 64.05 61.98 1th1 n THR 551 Cb 1.29 -1.04 0.15 0.00 -1.82 0.00 0.00 70.33 68.91 1th1 n THR 551 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1th1 n SER 552 N -2.93 1.50 0.00 8.00 3.41 -1.25 -5.15 113.62 117.19 1th1 n SER 552 Ca -0.31 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 54.99 1th1 n SER 552 Cb 0.88 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1th1 n SER 552 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th1 n GLN 559 N -0.64 0.00 -3.98 4.33 0.00 -1.26 -5.14 117.38 110.69 1th1 n GLN 559 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 57.00 56.78 1th1 n GLN 559 Cb 0.83 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 31.00 1th1 n GLN 559 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1th1 s PHE 560 N -1.92 3.51 -0.20 2.61 0.40 -1.26 -4.45 117.98 116.67 1th1 s PHE 560 Ca 0.00 0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1th1 s PHE 560 Cb 0.00 -1.91 0.05 0.00 0.51 0.00 0.00 43.02 41.67 1th1 s PHE 560 CO 0.00 0.68 -0.08 0.08 0.70 0.00 0.00 175.22 176.60 1th1 s VAL 561 N -1.00 1.48 -1.76 -0.44 1.01 -0.54 -4.69 120.40 114.45 1th1 s VAL 561 Ca 0.15 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1th1 s VAL 561 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1th1 s VAL 561 CO 0.04 0.10 0.00 -0.62 0.00 0.00 0.00 175.10 174.61 1th1 n GLU 562 N 4.73 -1.70 -0.63 2.72 1.02 -1.26 -1.57 120.64 123.95 1th1 n GLU 562 Ca -0.13 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1th1 n GLU 562 Cb 0.46 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 1th1 n GLU 562 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1th1 n GLY 563 N -0.85 0.77 3.15 0.62 0.00 -1.26 -4.53 105.19 103.09 1th1 n GLY 563 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1th1 n GLY 563 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1th1 s VAL 564 N -2.80 1.63 0.26 1.61 1.01 -0.61 -5.02 120.40 116.47 1th1 s VAL 564 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1th1 s VAL 564 Cb 0.00 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 1th1 s VAL 564 CO 0.00 0.46 0.94 -0.13 0.00 0.00 0.00 175.10 176.37 1th1 s ARG 565 N 0.23 4.80 0.23 2.72 0.52 -1.26 -1.47 118.95 124.72 1th1 s ARG 565 Ca -0.10 1.45 0.22 0.00 -0.52 0.00 0.00 55.73 56.78 1th1 s ARG 565 Cb -0.15 -3.18 0.94 0.00 0.52 0.00 0.00 34.95 33.08 1th1 s ARG 565 CO 0.05 0.47 1.67 -1.33 0.02 0.00 0.00 175.30 176.18 1th1 n MET 566 N 1.31 0.17 0.19 3.54 2.81 -1.26 -1.61 117.12 122.26 1th1 n MET 566 Ca -0.01 0.43 0.06 0.00 -1.81 0.00 0.00 57.70 56.36 1th1 n MET 566 Cb 0.48 -1.84 0.35 0.00 -0.71 0.00 0.00 33.22 31.50 1th1 n MET 566 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1th1 h GLU 567 N 0.00 0.00 0.01 0.03 3.07 -1.92 -2.26 114.58 113.51 1th1 h GLU 567 Ca 0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 1th1 h GLU 567 Cb 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1th1 h GLU 567 CO 0.00 0.37 -0.88 0.93 -1.40 0.00 0.00 179.01 178.02 1th1 h GLU 568 N 0.00 0.13 -0.00 2.33 5.08 -1.70 -2.45 114.58 117.97 1th1 h GLU 568 Ca -0.00 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.01 1th1 h GLU 568 Cb 0.87 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1th1 h GLU 568 CO 0.05 0.93 -0.86 0.82 -1.00 0.00 0.00 179.01 178.95 1th1 h ILE 569 N 0.07 1.50 -0.06 3.13 1.08 -1.57 -1.00 117.51 120.65 1th1 h ILE 569 Ca -0.04 -2.60 -0.02 0.00 -0.39 0.00 0.00 64.86 61.82 1th1 h ILE 569 Cb 1.52 2.44 -0.00 0.00 -3.07 0.00 0.00 36.82 37.71 1th1 h ILE 569 CO 0.13 0.76 -0.02 0.58 -0.69 0.00 0.00 178.15 178.90 1th1 h VAL 570 N 0.10 1.31 -0.21 1.67 2.07 -1.38 -0.97 116.25 118.84 1th1 h VAL 570 Ca -0.04 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1th1 h VAL 570 Cb 1.48 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1th1 h VAL 570 CO 0.13 0.27 0.08 -0.08 0.02 0.00 0.00 177.57 177.98 1th1 h GLU 571 N -0.23 0.32 0.05 1.57 4.81 -1.46 -1.61 114.58 118.02 1th1 h GLU 571 Ca 0.02 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1th1 h GLU 571 Cb 0.44 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1th1 h GLU 571 CO 0.01 0.39 -0.02 0.78 -0.73 0.00 0.00 179.01 179.43 1th1 h GLY 572 N 0.18 -0.07 1.16 1.92 0.00 -1.18 -0.86 103.07 104.23 1th1 h GLY 572 Ca 0.07 0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1th1 h GLY 572 CO -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 176.54 176.41 1th1 h THR 574 N 0.88 1.32 -0.04 0.00 2.02 -1.26 -1.72 112.91 114.10 1th1 h THR 574 Ca 0.14 -1.61 -0.13 0.00 0.77 0.00 0.00 66.41 65.58 1th1 h THR 574 Cb 0.65 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1th1 h THR 574 CO 0.05 0.48 -0.57 1.23 0.37 0.00 0.00 175.52 177.08 1th1 h GLY 575 N 1.26 0.15 1.39 2.16 0.00 -0.86 -0.76 103.07 106.41 1th1 h GLY 575 Ca 0.02 -0.18 -0.22 0.00 0.00 0.00 0.00 47.33 46.95 1th1 h GLY 575 CO 0.07 0.16 -0.87 0.00 0.00 0.00 0.00 176.54 175.90 1th1 h ALA 576 N 1.32 0.36 -0.09 3.60 0.00 -0.84 -3.03 119.26 120.58 1th1 h ALA 576 Ca -0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 1th1 h ALA 576 Cb 1.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1th1 h ALA 576 CO 0.08 0.74 -0.52 -0.07 0.00 0.00 0.00 179.25 179.49 1th1 h LEU 577 N 0.36 0.27 -0.74 0.00 3.38 -1.17 -1.19 115.31 116.22 1th1 h LEU 577 Ca -0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1th1 h LEU 577 Cb 1.49 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.13 1th1 h LEU 577 CO 0.16 0.74 0.42 -0.74 0.09 0.00 0.00 178.44 179.11 1th1 h HIS 578 N 0.19 1.01 0.14 1.13 2.76 -1.11 0.18 115.15 119.46 1th1 h HIS 578 Ca 0.01 -0.02 -0.29 0.00 -2.20 0.00 0.00 60.37 57.87 1th1 h HIS 578 Cb 0.98 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 29.63 1th1 h HIS 578 CO 0.02 0.70 -1.27 0.82 -1.30 0.00 0.00 177.93 176.91 1th1 h ILE 579 N 1.02 1.43 -0.06 6.26 1.08 -1.40 -3.19 117.51 122.65 1th1 h ILE 579 Ca 0.26 -2.87 -0.05 0.00 -0.39 0.00 0.00 64.86 61.81 1th1 h ILE 579 Cb 0.02 2.90 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 1th1 h ILE 579 CO -0.04 0.85 -0.19 -0.07 -0.69 0.00 0.00 178.15 178.01 1th1 h LEU 580 N 0.12 0.09 -0.06 1.44 -0.00 -0.88 -2.86 115.31 113.16 1th1 h LEU 580 Ca -0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1th1 h LEU 580 Cb 1.97 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.61 1th1 h LEU 580 CO 0.22 0.29 0.00 0.00 -0.00 0.00 0.00 178.44 178.95 1th1 n ALA 581 N -2.49 1.91 0.13 1.53 0.00 0.60 -2.67 120.51 119.52 1th1 n ALA 581 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1th1 n ALA 581 Cb 0.28 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.76 1th1 n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th1 h ARG 582 N 0.03 0.00 -6.11 0.00 3.08 -1.68 -3.44 114.38 106.27 1th1 h ARG 582 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1th1 h ARG 582 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1th1 h ARG 582 CO 0.00 0.23 -0.08 0.34 -1.07 0.00 0.00 179.97 179.39 1th1 s ASP 583 N -6.04 6.96 0.26 7.04 2.15 -1.09 -5.01 116.67 120.94 1th1 s ASP 583 Ca 0.02 1.14 -0.04 0.00 0.43 0.00 0.00 52.55 54.10 1th1 s ASP 583 Cb 0.07 -2.33 0.30 0.00 -0.30 0.00 0.00 42.92 40.67 1th1 s ASP 583 CO 0.75 0.23 1.85 1.62 -0.17 0.00 0.00 175.17 179.45 1th1 h VAL 584 N 3.79 1.24 -0.10 1.11 3.04 -1.90 -2.30 116.25 121.12 1th1 h VAL 584 Ca -0.49 -0.70 -0.17 0.00 -1.01 0.00 0.00 66.70 64.34 1th1 h VAL 584 Cb 1.21 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1th1 h VAL 584 CO 0.65 0.29 -0.66 0.45 -1.01 0.00 0.00 177.57 177.30 1th1 h HIS 585 N 1.06 0.54 -0.29 3.17 3.86 -1.96 -2.81 115.15 118.72 1th1 h HIS 585 Ca 0.26 -0.22 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 1th1 h HIS 585 Cb 0.14 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1th1 h HIS 585 CO 0.01 0.95 -0.10 -0.91 0.86 0.00 0.00 177.93 178.74 1th1 h ASN 586 N 0.30 0.47 0.11 2.45 2.35 -1.80 -2.27 115.58 117.18 1th1 h ASN 586 Ca -0.02 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 1th1 h ASN 586 Cb 1.21 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1th1 h ASN 586 CO 0.11 0.61 -0.31 0.03 -1.65 0.00 0.00 177.43 176.23 1th1 h ARG 587 N 0.46 0.31 -0.21 0.81 3.08 -1.17 -0.92 114.38 116.73 1th1 h ARG 587 Ca 0.09 -0.12 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1th1 h ARG 587 Cb 0.46 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1th1 h ARG 587 CO 0.03 0.59 -0.42 0.82 -1.07 0.00 0.00 179.97 179.92 1th1 h ILE 588 N 0.27 1.32 -0.05 2.04 2.04 -1.26 -2.17 117.51 119.70 1th1 h ILE 588 Ca 0.04 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1th1 h ILE 588 Cb 0.68 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1th1 h ILE 588 CO 0.05 0.51 0.02 0.58 0.00 0.00 0.00 178.15 179.31 1th1 h VAL 589 N 0.36 1.13 -0.24 1.67 2.07 -1.19 0.79 116.25 120.83 1th1 h VAL 589 Ca 0.01 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1th1 h VAL 589 Cb 1.02 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1th1 h VAL 589 CO 0.09 0.11 0.12 0.40 0.02 0.00 0.00 177.57 178.31 1th1 h ILE 590 N -0.07 1.00 -0.59 4.57 2.04 -1.22 -2.23 117.51 121.01 1th1 h ILE 590 Ca 0.02 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 1th1 h ILE 590 Cb 0.15 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1th1 h ILE 590 CO -0.00 0.05 0.03 -0.09 0.00 0.00 0.00 178.15 178.13 1th1 h ARG 591 N 0.26 1.01 0.00 2.37 2.43 -1.31 -2.79 114.38 116.35 1th1 h ARG 591 Ca 0.10 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1th1 h ARG 591 Cb 0.02 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1th1 h ARG 591 CO -0.07 0.98 0.00 0.78 -1.51 0.00 0.00 179.97 180.15 1th1 h GLY 592 N 1.01 0.00 0.28 2.80 0.00 -0.37 -1.96 103.07 104.82 1th1 h GLY 592 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1th1 h GLY 592 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1th1 n LEU 593 N -3.07 0.34 -3.50 3.11 4.77 -0.88 -4.90 117.00 112.87 1th1 n LEU 593 Ca -0.01 -0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 1th1 n LEU 593 Cb 0.19 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1th1 n LEU 593 CO 0.24 0.07 0.11 -3.20 -1.33 0.00 0.00 177.39 173.27 1th1 n ASN 594 N -0.55 -2.59 -0.00 -1.43 5.15 -0.74 -4.94 115.26 110.16 1th1 n ASN 594 Ca 0.14 -0.64 0.10 0.00 -0.60 0.00 0.00 54.58 53.58 1th1 n ASN 594 Cb 0.12 -4.95 -0.11 0.00 -0.53 0.00 0.00 39.78 34.31 1th1 n ASN 594 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1th1 n THR 595 N -4.28 0.00 -0.24 -0.44 -1.04 -1.25 -4.38 114.28 102.65 1th1 n THR 595 Ca -0.24 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.05 61.64 1th1 n THR 595 Cb 0.65 0.82 0.05 0.00 -1.82 0.00 0.00 70.33 70.03 1th1 n THR 595 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1th1 h ILE 596 N 0.00 1.19 -0.02 12.58 2.04 -1.85 -1.35 117.51 130.10 1th1 h ILE 596 Ca 0.00 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1th1 h ILE 596 Cb 0.57 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1th1 h ILE 596 CO 0.00 0.19 -0.12 -0.65 0.00 0.00 0.00 178.15 177.57 1th1 h PRO 597 N 0.90 0.03 -0.04 2.37 0.11 -1.96 -2.46 132.00 130.95 1th1 h PRO 597 Ca 0.24 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 1th1 h PRO 597 Cb -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1th1 h PRO 597 CO -0.05 0.15 -0.10 1.25 -0.21 0.00 0.00 178.00 179.04 1th1 h LEU 598 N 0.03 0.16 -1.57 2.35 5.85 -1.71 -2.94 115.31 117.48 1th1 h LEU 598 Ca 0.01 -0.58 0.12 0.00 0.84 0.00 0.00 57.88 58.26 1th1 h LEU 598 Cb 0.23 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1th1 h LEU 598 CO 0.02 0.72 0.46 -0.26 -0.34 0.00 0.00 178.44 179.04 1th1 h PHE 599 N -0.39 0.51 -0.21 1.25 0.04 -0.97 -0.74 116.94 116.43 1th1 h PHE 599 Ca -0.00 0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.59 1th1 h PHE 599 Cb 0.69 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1th1 h PHE 599 CO 0.12 0.22 -0.63 0.28 -0.60 0.00 0.00 178.31 177.70 1th1 h VAL 600 N 0.46 1.30 0.00 -0.55 2.07 -1.48 -3.03 116.25 115.02 1th1 h VAL 600 Ca 0.33 -1.85 -0.07 0.00 0.82 0.00 0.00 66.70 65.93 1th1 h VAL 600 Cb 0.66 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1th1 h VAL 600 CO -0.10 0.59 -0.32 1.56 0.02 0.00 0.00 177.57 179.32 1th1 h GLN 601 N 0.54 0.00 0.00 1.57 1.08 -0.98 -2.71 115.11 114.61 1th1 h GLN 601 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1th1 h GLN 601 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1th1 h GLN 601 CO 0.13 0.32 0.00 1.28 -0.95 0.00 0.00 178.83 179.61 1th1 n LEU 602 N -4.07 0.00 0.16 1.46 4.77 -0.63 -2.58 117.00 116.11 1th1 n LEU 602 Ca -0.02 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1th1 n LEU 602 Cb 0.37 -0.19 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1th1 n LEU 602 CO 0.38 -0.04 0.54 -0.07 -1.33 0.00 0.00 177.39 176.87 1th1 h LEU 603 N 0.00 0.00 -0.46 2.23 3.38 -1.54 -3.29 115.31 115.62 1th1 h LEU 603 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1th1 h LEU 603 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1th1 h LEU 603 CO 0.00 0.01 -0.21 -1.22 0.09 0.00 0.00 178.44 177.11 1th1 n TYR 604 N -2.82 0.00 -2.17 1.13 4.02 -1.06 -4.90 117.16 111.36 1th1 n TYR 604 Ca 0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.53 1th1 n TYR 604 Cb 0.52 -0.13 -0.01 0.00 -0.02 0.00 0.00 39.34 39.70 1th1 n TYR 604 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1th1 s SER 605 N -2.46 6.35 0.28 7.72 1.04 -1.24 -4.92 113.70 120.47 1th1 s SER 605 Ca 0.26 2.49 0.24 0.00 0.48 0.00 0.00 55.95 59.42 1th1 s SER 605 Cb 0.20 -2.62 1.04 0.00 0.10 0.00 0.00 66.02 64.73 1th1 s SER 605 CO 0.50 -0.81 1.72 -0.81 0.98 0.00 0.00 173.24 174.82 1th1 n PRO 606 N 0.00 0.20 -2.89 4.02 -0.04 -1.26 -4.65 135.00 130.38 1th1 n PRO 606 Ca 0.05 0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 1th1 n PRO 606 Cb 0.45 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.96 1th1 n PRO 606 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1th1 s ILE 607 N -3.37 4.74 0.25 0.52 1.01 -1.26 -4.95 121.20 118.13 1th1 s ILE 607 Ca 0.03 1.26 -0.04 0.00 0.00 0.00 0.00 60.65 61.90 1th1 s ILE 607 Cb 0.09 -4.20 0.23 0.00 0.01 0.00 0.00 42.46 38.59 1th1 s ILE 607 CO 0.37 -0.31 1.86 -0.08 0.00 0.00 0.00 174.94 176.78 1th1 h GLU 608 N 8.14 0.98 0.00 2.79 4.81 -2.00 -2.46 114.58 126.83 1th1 h GLU 608 Ca -0.24 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1th1 h GLU 608 Cb 1.09 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1th1 h GLU 608 CO 0.91 0.65 -0.23 -0.91 -0.73 0.00 0.00 179.01 178.70 1th1 h ASN 609 N 1.01 0.00 0.63 1.04 2.35 -1.97 -1.58 115.58 117.06 1th1 h ASN 609 Ca 0.39 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.88 1th1 h ASN 609 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1th1 h ASN 609 CO -0.18 0.23 -1.17 0.40 -1.65 0.00 0.00 177.43 175.06 1th1 h ILE 610 N 0.00 1.51 -0.26 2.81 2.04 -1.81 -2.97 117.51 118.83 1th1 h ILE 610 Ca -0.00 -3.00 -0.10 0.00 1.00 0.00 0.00 64.86 62.75 1th1 h ILE 610 Cb 0.58 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1th1 h ILE 610 CO 0.03 0.88 -0.28 1.56 0.00 0.00 0.00 178.15 180.34 1th1 h GLN 611 N 0.09 0.51 -0.10 2.37 4.20 -1.18 -1.56 115.11 119.44 1th1 h GLN 611 Ca -0.11 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1th1 h GLN 611 Cb 1.89 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.64 1th1 h GLN 611 CO 0.19 0.74 -0.01 -0.09 -0.67 0.00 0.00 178.83 179.00 1th1 h ARG 612 N 0.45 0.18 0.00 1.46 2.43 -1.31 -1.59 114.38 115.99 1th1 h ARG 612 Ca 0.06 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1th1 h ARG 612 Cb 0.72 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1th1 h ARG 612 CO 0.05 0.45 -0.46 -0.39 -1.51 0.00 0.00 179.97 178.12 1th1 h VAL 613 N -0.11 0.94 -0.04 0.20 -1.51 -1.46 -1.49 116.25 112.78 1th1 h VAL 613 Ca 0.03 -1.85 -0.11 0.00 -1.23 0.00 0.00 66.70 63.54 1th1 h VAL 613 Cb 0.37 2.13 0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1th1 h VAL 613 CO 0.01 0.45 -0.40 0.00 -1.23 0.00 0.00 177.57 176.40 1th1 h ALA 614 N 1.54 0.10 0.00 5.19 0.00 -1.26 -1.61 119.26 123.23 1th1 h ALA 614 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1th1 h ALA 614 Cb 1.10 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1th1 h ALA 614 CO 0.06 0.22 -0.29 0.00 0.00 0.00 0.00 179.25 179.24 1th1 h ALA 615 N 0.36 1.11 -0.20 0.00 0.00 -1.31 -2.36 119.26 116.87 1th1 h ALA 615 Ca -0.04 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1th1 h ALA 615 Cb 1.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1th1 h ALA 615 CO 0.08 0.36 -0.56 0.78 0.00 0.00 0.00 179.25 179.92 1th1 h GLY 616 N 1.69 0.80 1.72 0.00 0.00 -1.18 -1.54 103.07 104.56 1th1 h GLY 616 Ca -0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 47.33 46.16 1th1 h GLY 616 CO 0.04 0.91 -0.64 -0.24 0.00 0.00 0.00 176.54 176.60 1th1 h VAL 617 N 0.44 1.39 0.00 4.60 3.04 -1.12 -2.56 116.25 122.04 1th1 h VAL 617 Ca -0.01 -2.05 -0.08 0.00 -1.01 0.00 0.00 66.70 63.55 1th1 h VAL 617 Cb 1.17 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 32.49 1th1 h VAL 617 CO 0.12 0.61 -0.39 -0.07 -1.01 0.00 0.00 177.57 176.83 1th1 h LEU 618 N 0.20 0.00 -0.21 3.16 3.38 -1.43 -1.07 115.31 119.35 1th1 h LEU 618 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1th1 h LEU 618 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1th1 h LEU 618 CO 0.10 0.39 -0.13 0.00 0.09 0.00 0.00 178.44 178.89 1th1 h GLU 620 N 0.14 0.87 -0.23 0.00 4.39 -1.18 -3.12 114.58 115.45 1th1 h GLU 620 Ca 0.04 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.19 1th1 h GLU 620 Cb 0.64 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1th1 h GLU 620 CO 0.04 1.11 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.69 1th1 h LEU 621 N 0.71 0.43 0.00 1.33 3.38 -1.13 -3.08 115.31 116.95 1th1 h LEU 621 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1th1 h LEU 621 Cb 0.98 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1th1 h LEU 621 CO 0.09 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1th1 n ALA 622 N -2.48 1.93 0.43 1.53 0.00 -0.07 -2.98 120.51 118.86 1th1 n ALA 622 Ca -0.00 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.49 1th1 n ALA 622 Cb 0.39 -1.25 0.43 0.00 0.00 0.00 0.00 19.45 19.02 1th1 n ALA 622 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1th1 h GLN 623 N 0.00 0.00 -5.10 0.00 3.07 -1.63 -3.41 115.11 108.04 1th1 h GLN 623 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 58.65 58.11 1th1 h GLN 623 Cb 0.09 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 27.48 1th1 h GLN 623 CO 0.00 0.00 -0.55 -0.51 0.09 0.00 0.00 178.83 177.86 1th1 s ASP 624 N -4.97 5.73 0.28 0.06 1.01 -1.16 -5.03 116.67 112.60 1th1 s ASP 624 Ca 0.07 0.02 -0.01 0.00 0.71 0.00 0.00 52.55 53.33 1th1 s ASP 624 Cb 0.09 -2.02 0.46 0.00 1.01 0.00 0.00 42.92 42.47 1th1 s ASP 624 CO 0.54 0.07 1.89 0.50 0.21 0.00 0.00 175.17 178.38 1th1 h LYS 625 N 7.48 1.08 -0.40 8.23 1.63 -1.88 -1.55 116.57 131.16 1th1 h LYS 625 Ca -0.37 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.30 1th1 h LYS 625 Cb 1.17 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 1th1 h LYS 625 CO 0.64 0.72 -0.01 1.49 -3.45 0.00 0.00 179.45 178.84 1th1 h GLU 626 N 1.11 0.64 -0.07 1.90 4.22 -1.95 -1.46 114.58 118.98 1th1 h GLU 626 Ca 0.42 -0.16 -0.25 0.00 0.08 0.00 0.00 59.36 59.46 1th1 h GLU 626 Cb 0.20 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1th1 h GLU 626 CO -0.17 0.67 -0.92 0.00 -2.18 0.00 0.00 179.01 176.42 1th1 h ALA 627 N 1.38 0.21 -0.49 2.92 0.00 -1.76 -2.89 119.26 118.63 1th1 h ALA 627 Ca 0.12 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1th1 h ALA 627 Cb 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1th1 h ALA 627 CO 0.02 0.68 0.09 0.00 0.00 0.00 0.00 179.25 180.03 1th1 h ALA 628 N 0.47 1.24 -0.23 0.00 0.00 -1.01 -1.93 119.26 117.80 1th1 h ALA 628 Ca -0.10 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1th1 h ALA 628 Cb 1.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1th1 h ALA 628 CO 0.18 0.52 -0.30 1.49 0.00 0.00 0.00 179.25 181.15 1th1 h GLU 629 N 0.73 0.46 -0.04 0.00 4.81 -1.27 -1.92 114.58 117.35 1th1 h GLU 629 Ca 0.16 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1th1 h GLU 629 Cb 0.31 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1th1 h GLU 629 CO 0.00 0.72 -0.61 0.00 -0.73 0.00 0.00 179.01 178.39 1th1 h ALA 630 N 1.28 0.90 -0.26 2.92 0.00 -1.18 -1.09 119.26 121.83 1th1 h ALA 630 Ca 0.05 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1th1 h ALA 630 Cb 0.73 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1th1 h ALA 630 CO 0.06 0.74 -0.54 0.82 0.00 0.00 0.00 179.25 180.33 1th1 h ILE 631 N 0.11 1.29 -0.51 0.00 2.04 -1.03 -2.92 117.51 116.49 1th1 h ILE 631 Ca -0.01 -1.74 -0.12 0.00 1.00 0.00 0.00 64.86 63.99 1th1 h ILE 631 Cb 1.10 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 1th1 h ILE 631 CO 0.09 0.56 -0.17 -0.08 0.00 0.00 0.00 178.15 178.55 1th1 h GLU 632 N 0.59 1.00 0.00 2.37 4.81 -1.18 -2.73 114.58 119.44 1th1 h GLU 632 Ca 0.02 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1th1 h GLU 632 Cb 1.12 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1th1 h GLU 632 CO 0.11 1.08 0.00 0.00 -0.73 0.00 0.00 179.01 179.47 1th1 n ALA 633 N -2.51 1.93 0.55 2.92 0.00 -0.43 -2.37 120.51 120.61 1th1 n ALA 633 Ca 0.01 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.49 1th1 n ALA 633 Cb 0.43 -1.29 0.19 0.00 0.00 0.00 0.00 19.45 18.79 1th1 n ALA 633 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1th1 n GLU 634 N -1.33 2.43 -2.92 0.00 4.07 -1.03 -4.96 120.64 116.90 1th1 n GLU 634 Ca 0.08 -2.14 -0.10 0.00 -0.06 0.00 0.00 57.16 54.94 1th1 n GLU 634 Cb 0.15 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 30.07 1th1 n GLU 634 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1th1 n GLY 635 N 1.45 0.30 0.04 8.31 0.00 -1.00 -4.96 105.19 109.35 1th1 n GLY 635 Ca 0.18 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1th1 n GLY 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th1 n ALA 636 N -3.43 3.01 -0.27 4.61 0.00 -1.21 -4.22 120.51 118.99 1th1 n ALA 636 Ca -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 1th1 n ALA 636 Cb 0.53 -1.20 0.06 0.00 0.00 0.00 0.00 19.45 18.84 1th1 n ALA 636 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1th1 h THR 637 N 0.00 1.22 0.26 0.00 2.02 -1.84 -2.71 112.91 111.87 1th1 h THR 637 Ca 0.00 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1th1 h THR 637 Cb 0.66 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1th1 h THR 637 CO 0.00 0.25 -0.12 0.00 0.37 0.00 0.00 175.52 176.01 1th1 h ALA 638 N 1.21 -0.35 0.00 6.16 0.00 -1.99 -2.64 119.26 121.65 1th1 h ALA 638 Ca 0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1th1 h ALA 638 Cb 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1th1 h ALA 638 CO -0.04 -0.59 -0.47 -1.00 0.00 0.00 0.00 179.25 177.15 1th1 h PRO 639 N -0.56 0.00 0.00 0.00 0.13 -1.80 -2.57 132.00 127.20 1th1 h PRO 639 Ca -0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 1th1 h PRO 639 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1th1 h PRO 639 CO 0.06 0.47 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.95 1th1 h LEU 640 N 0.00 0.00 0.01 1.56 3.38 -1.52 0.43 115.31 119.17 1th1 h LEU 640 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1th1 h LEU 640 Cb 0.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1th1 h LEU 640 CO 0.06 0.27 -1.04 0.74 0.09 0.00 0.00 178.44 178.56 1th1 h THR 641 N 0.00 1.67 0.00 0.22 2.02 -1.27 -3.04 112.91 112.52 1th1 h THR 641 Ca -0.00 -3.38 -0.16 0.00 0.77 0.00 0.00 66.41 63.64 1th1 h THR 641 Cb 0.81 2.84 -0.02 0.00 -1.74 0.00 0.00 68.15 70.04 1th1 h THR 641 CO 0.04 0.96 -0.77 -0.33 0.37 0.00 0.00 175.52 175.78 1th1 h GLU 642 N 0.01 0.00 -0.07 6.66 4.39 -1.04 -3.07 114.58 121.45 1th1 h GLU 642 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1th1 h GLU 642 Cb 1.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 1th1 h GLU 642 CO 0.13 0.77 0.00 1.28 -1.16 0.00 0.00 179.01 180.04 1th1 n LEU 643 N -3.50 0.72 0.11 1.33 7.99 0.10 -3.16 117.00 120.59 1th1 n LEU 643 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 56.01 55.70 1th1 n LEU 643 Cb 0.78 -0.05 -0.02 0.00 -0.11 0.00 0.00 43.42 44.02 1th1 n LEU 643 CO 0.44 0.15 0.30 -0.07 -1.51 0.00 0.00 177.39 176.70 1th1 h LEU 644 N 0.95 0.00 -1.63 2.23 3.38 -1.43 -3.24 115.31 115.58 1th1 h LEU 644 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1th1 h LEU 644 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1th1 h LEU 644 CO 0.00 0.62 0.00 1.41 0.09 0.00 0.00 178.44 180.56 1th1 n HIS 645 N -3.21 0.62 -1.39 1.13 8.25 -1.19 -4.83 115.22 114.60 1th1 n HIS 645 Ca -0.00 -0.29 -0.31 0.00 -0.26 0.00 0.00 57.72 56.85 1th1 n HIS 645 Cb 0.79 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 31.94 1th1 n HIS 645 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1th1 s SER 646 N -0.93 4.72 0.04 0.41 1.04 -1.22 -5.00 113.70 112.76 1th1 s SER 646 Ca 0.28 1.84 -0.22 0.00 0.48 0.00 0.00 55.95 58.33 1th1 s SER 646 Cb 0.15 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.61 1th1 s SER 646 CO 0.18 -1.89 1.44 0.03 0.98 0.00 0.00 173.24 173.97 1th1 h ARG 647 N -0.85 0.24 -6.23 4.02 3.08 -1.94 -3.43 114.38 109.28 1th1 h ARG 647 Ca -0.44 -0.09 -0.56 0.00 0.07 0.00 0.00 59.98 58.96 1th1 h ARG 647 Cb 1.23 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 1th1 h ARG 647 CO 0.52 0.53 0.70 1.21 -1.07 0.00 0.00 179.97 181.87 1th1 s ASN 648 N -5.82 7.11 0.33 7.04 2.47 -1.26 -4.92 114.94 119.88 1th1 s ASN 648 Ca -0.14 1.63 0.26 0.00 0.42 0.00 0.00 52.86 55.03 1th1 s ASN 648 Cb 0.05 -2.55 1.06 0.00 -1.45 0.00 0.00 41.25 38.36 1th1 s ASN 648 CO 0.72 -0.58 1.78 -0.08 -3.72 0.00 0.00 177.10 175.22 1th1 h GLU 649 N 7.44 0.00 -0.07 0.43 4.57 -2.00 -2.94 114.58 122.01 1th1 h GLU 649 Ca -0.29 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.64 1th1 h GLU 649 Cb 1.13 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1th1 h GLU 649 CO 0.90 0.00 -0.90 0.78 -1.18 0.00 0.00 179.01 178.61 1th1 h GLY 650 N 2.32 0.82 0.87 1.92 0.00 -1.96 -2.34 103.07 104.70 1th1 h GLY 650 Ca 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 47.33 45.97 1th1 h GLY 650 CO 0.00 1.15 -0.07 -2.08 0.00 0.00 0.00 176.54 175.53 1th1 h VAL 651 N 0.44 1.28 -0.48 4.60 2.07 -1.86 -2.93 116.25 119.38 1th1 h VAL 651 Ca -0.09 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1th1 h VAL 651 Cb 1.54 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1th1 h VAL 651 CO 0.18 0.35 0.08 0.00 0.02 0.00 0.00 177.57 178.20 1th1 h ALA 652 N 0.77 1.24 -0.19 1.67 0.00 -1.58 -0.39 119.26 120.79 1th1 h ALA 652 Ca 0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1th1 h ALA 652 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1th1 h ALA 652 CO 0.03 0.52 -0.04 1.15 0.00 0.00 0.00 179.25 180.91 1th1 h THR 653 N 0.71 1.28 -0.41 0.00 2.02 -1.41 -1.32 112.91 113.78 1th1 h THR 653 Ca 0.15 -0.99 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 1th1 h THR 653 Cb 0.32 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 1th1 h THR 653 CO 0.00 0.30 -0.09 1.88 0.37 0.00 0.00 175.52 177.99 1th1 h TYR 654 N 0.09 0.78 -0.56 3.16 0.05 -1.34 -1.03 116.97 118.12 1th1 h TYR 654 Ca 0.05 -0.13 -0.10 0.00 0.05 0.00 0.00 58.73 58.61 1th1 h TYR 654 Cb 0.47 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1th1 h TYR 654 CO 0.05 0.78 -0.03 0.00 -1.05 0.00 0.00 178.16 177.91 1th1 h ALA 655 N 1.25 0.89 -0.27 3.88 0.00 -0.94 -2.63 119.26 121.44 1th1 h ALA 655 Ca 0.12 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1th1 h ALA 655 Cb 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1th1 h ALA 655 CO 0.03 0.65 -0.51 0.00 0.00 0.00 0.00 179.25 179.42 1th1 h ALA 656 N 1.06 0.59 -0.38 0.00 0.00 -0.94 -2.81 119.26 116.78 1th1 h ALA 656 Ca 0.16 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1th1 h ALA 656 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1th1 h ALA 656 CO 0.03 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.92 1th1 h ALA 657 N 0.82 1.21 -0.10 0.00 0.00 -1.03 -1.29 119.26 118.87 1th1 h ALA 657 Ca 0.02 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1th1 h ALA 657 Cb 1.09 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1th1 h ALA 657 CO 0.11 0.52 -0.63 0.28 0.00 0.00 0.00 179.25 179.53 1th1 h VAL 658 N 0.59 1.34 -0.80 0.00 2.07 -1.46 -1.26 116.25 116.73 1th1 h VAL 658 Ca 0.12 -1.92 0.01 0.00 0.82 0.00 0.00 66.70 65.73 1th1 h VAL 658 Cb 0.44 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1th1 h VAL 658 CO 0.02 0.59 0.53 -0.07 0.02 0.00 0.00 177.57 178.66 1th1 h LEU 659 N 0.23 0.91 0.15 2.57 3.38 -1.28 -0.63 115.31 120.65 1th1 h LEU 659 Ca -0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1th1 h LEU 659 Cb 1.28 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1th1 h LEU 659 CO 0.13 0.65 -0.07 0.15 0.09 0.00 0.00 178.44 179.39 1th1 h PHE 660 N 1.07 -0.19 0.00 1.13 3.04 -1.22 -3.26 116.94 117.52 1th1 h PHE 660 Ca 0.30 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1th1 h PHE 660 Cb -0.10 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1th1 h PHE 660 CO -0.00 0.24 0.00 0.00 -2.02 0.00 0.00 178.31 176.53 1th1 h ARG 661 N -0.71 0.00 0.00 1.11 3.08 -0.83 -1.92 114.38 115.11 1th1 h ARG 661 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1th1 h ARG 661 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1th1 h ARG 661 CO 0.03 0.00 -0.31 0.52 -1.07 0.00 0.00 179.97 179.14 1th1 h MET 662 N 0.00 0.00 0.00 0.04 2.86 -1.16 -3.40 114.93 113.26 1th1 h MET 662 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1th1 h MET 662 Cb 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 1th1 h MET 662 CO 0.00 0.31 -0.40 -1.13 1.06 0.00 0.00 176.91 176.75 1th1 n SER 663 N -3.25 1.35 -0.57 1.22 3.41 -1.05 -4.81 113.62 109.91 1th1 n SER 663 Ca 0.02 0.20 0.14 0.00 -0.26 0.00 0.00 58.87 58.96 1th1 n SER 663 Cb 0.60 -0.46 0.44 0.00 -0.26 0.00 0.00 64.21 64.53 1th1 n SER 663 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26