#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th1 n GLU 147 N 0.00 0.00 -0.03 0.00 4.07 -1.26 -2.58 120.64 120.84 1th1 n GLU 147 Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 1th1 n GLU 147 Cb 0.00 0.00 0.52 0.00 -0.06 0.00 0.00 31.44 31.90 1th1 n GLU 147 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1th1 n LEU 148 N 0.00 0.60 0.14 4.31 -0.00 -1.26 -3.66 117.00 117.13 1th1 n LEU 148 Ca 0.00 -0.24 0.13 0.00 -0.00 0.00 0.00 56.01 55.90 1th1 n LEU 148 Cb 0.00 -0.03 0.43 0.00 -0.00 0.00 0.00 43.42 43.81 1th1 n LEU 148 CO 0.00 0.12 0.88 0.00 -0.00 0.00 0.00 177.39 178.39 1th1 h ALA 149 N 3.79 1.00 0.00 1.47 0.00 -1.90 -2.68 119.26 120.94 1th1 h ALA 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1th1 h ALA 149 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1th1 h ALA 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 179.25 181.66 1th1 n THR 150 N -2.43 0.65 -0.08 0.00 -1.04 -1.24 -2.01 114.28 108.12 1th1 n THR 150 Ca 0.04 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 1th1 n THR 150 Cb 0.37 -0.79 -0.14 0.00 -1.82 0.00 0.00 70.33 67.94 1th1 n THR 150 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1th1 n ARG 151 N -2.17 0.99 0.08 -2.82 0.63 -1.03 -4.53 116.66 107.80 1th1 n ARG 151 Ca 0.04 -0.03 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 1th1 n ARG 151 Cb 0.34 -1.46 -0.07 0.00 0.45 0.00 0.00 32.46 31.72 1th1 n ARG 151 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1th1 h ALA 152 N 1.00 0.44 -0.28 5.13 0.00 -1.30 -3.36 119.26 120.88 1th1 h ALA 152 Ca -0.43 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 53.54 1th1 h ALA 152 Cb 1.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1th1 h ALA 152 CO 0.02 1.14 -0.19 0.82 0.00 0.00 0.00 179.25 181.04 1th1 h ILE 153 N 0.01 1.30 0.00 0.00 1.08 -1.64 -2.75 117.51 115.51 1th1 h ILE 153 Ca -0.02 -1.31 -0.06 0.00 -0.39 0.00 0.00 64.86 63.08 1th1 h ILE 153 Cb 1.66 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 36.94 1th1 h ILE 153 CO 0.13 0.42 -0.29 -0.65 -0.69 0.00 0.00 178.15 177.07 1th1 h PRO 154 N 0.37 0.00 -0.15 2.37 0.11 -1.81 -2.66 132.00 130.23 1th1 h PRO 154 Ca 0.06 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 1th1 h PRO 154 Cb 0.72 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.84 1th1 h PRO 154 CO 0.05 0.29 -0.52 1.49 -0.21 0.00 0.00 178.00 179.11 1th1 h GLU 155 N 0.00 0.61 0.00 1.05 4.57 -1.70 -3.04 114.58 116.06 1th1 h GLU 155 Ca -0.00 -0.46 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 1th1 h GLU 155 Cb 0.58 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1th1 h GLU 155 CO 0.04 1.08 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.66 1th1 h LEU 156 N 0.26 0.00 -0.32 1.64 3.38 -1.38 -2.59 115.31 116.29 1th1 h LEU 156 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1th1 h LEU 156 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1th1 h LEU 156 CO 0.11 0.21 -0.48 0.74 0.09 0.00 0.00 178.44 179.11 1th1 h THR 157 N 0.00 1.27 -0.78 0.22 2.02 -1.47 -1.74 112.91 112.44 1th1 h THR 157 Ca -0.00 -1.66 -0.05 0.00 0.77 0.00 0.00 66.41 65.47 1th1 h THR 157 Cb 0.67 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1th1 h THR 157 CO 0.03 0.55 0.30 0.11 0.37 0.00 0.00 175.52 176.87 1th1 h LYS 158 N 0.69 1.17 -0.03 6.66 1.57 -1.37 -2.44 116.57 122.83 1th1 h LYS 158 Ca 0.03 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1th1 h LYS 158 Cb 1.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1th1 h LYS 158 CO 0.11 0.96 -0.55 -0.07 -0.57 0.00 0.00 179.45 179.33 1th1 h LEU 159 N 1.14 0.08 -0.72 2.94 4.07 -1.36 -2.81 115.31 118.64 1th1 h LEU 159 Ca 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.17 1th1 h LEU 159 Cb 0.23 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 1th1 h LEU 159 CO -0.02 0.62 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.85 1th1 h LEU 160 N 0.06 0.00 -2.32 1.67 4.07 -0.94 -2.94 115.31 114.92 1th1 h LEU 160 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1th1 h LEU 160 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1th1 h LEU 160 CO 0.08 0.04 0.00 0.59 -1.08 0.00 0.00 178.44 178.06 1th1 n ASN 161 N -3.12 3.45 -4.77 -0.43 3.02 -0.95 -4.88 115.26 107.58 1th1 n ASN 161 Ca 0.02 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.23 1th1 n ASN 161 Cb 0.43 -0.24 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.51 5.48 0.22 6.41 2.15 -1.09 -4.95 116.67 123.37 1th1 s ASP 162 Ca 0.38 2.22 0.26 0.00 0.43 0.00 0.00 52.55 55.84 1th1 s ASP 162 Cb 0.23 -2.58 0.79 0.00 -0.30 0.00 0.00 42.92 41.05 1th1 s ASP 162 CO 0.32 -1.39 1.77 -0.33 -0.17 0.00 0.00 175.17 175.37 1th1 h GLU 163 N 0.96 0.00 -5.72 4.34 4.39 -1.93 -3.43 114.58 113.19 1th1 h GLU 163 Ca -0.50 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.58 1th1 h GLU 163 Cb 1.27 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.80 1th1 h GLU 163 CO 0.56 0.00 0.32 0.34 -1.16 0.00 0.00 179.01 179.07 1th1 s ASP 164 N -4.61 6.50 0.61 1.42 2.15 -1.26 -4.93 116.67 116.55 1th1 s ASP 164 Ca 0.10 0.23 0.40 0.00 0.43 0.00 0.00 52.55 53.72 1th1 s ASP 164 Cb 0.12 -2.38 2.11 0.00 -0.30 0.00 0.00 42.92 42.47 1th1 s ASP 164 CO 0.60 -0.73 2.23 -0.61 -0.17 0.00 0.00 175.17 176.48 1th1 h GLN 165 N 8.55 0.00 -0.00 4.34 5.75 -1.98 -1.90 115.11 129.87 1th1 h GLN 165 Ca -0.25 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.10 1th1 h GLN 165 Cb 1.10 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 1th1 h GLN 165 CO 0.90 0.00 -0.69 0.28 -2.65 0.00 0.00 178.83 176.67 1th1 h VAL 166 N 0.00 1.49 0.16 2.39 2.07 -1.97 -2.34 116.25 118.06 1th1 h VAL 166 Ca 0.00 -2.36 -0.30 0.00 0.82 0.00 0.00 66.70 64.86 1th1 h VAL 166 Cb 0.10 2.27 0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1th1 h VAL 166 CO 0.00 0.68 -1.37 0.58 0.02 0.00 0.00 177.57 177.48 1th1 h VAL 167 N 0.02 1.37 -0.22 2.57 2.07 -1.69 -3.02 116.25 117.35 1th1 h VAL 167 Ca -0.01 -2.91 -0.02 0.00 0.82 0.00 0.00 66.70 64.58 1th1 h VAL 167 Cb 1.23 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 1th1 h VAL 167 CO 0.09 0.86 0.05 0.58 0.02 0.00 0.00 177.57 179.17 1th1 h VAL 168 N 0.09 1.21 -0.50 2.57 2.07 -1.48 -1.71 116.25 118.51 1th1 h VAL 168 Ca -0.19 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1th1 h VAL 168 Cb 2.04 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 1th1 h VAL 168 CO 0.22 0.21 0.08 0.78 0.02 0.00 0.00 177.57 178.88 1th1 h ASN 169 N 0.17 0.74 -0.05 0.57 -0.26 -1.53 -0.48 115.58 114.73 1th1 h ASN 169 Ca 0.07 -0.14 -0.15 0.00 -0.56 0.00 0.00 56.30 55.52 1th1 h ASN 169 Cb 0.27 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1th1 h ASN 169 CO 0.00 0.75 -0.46 0.50 -1.06 0.00 0.00 177.43 177.16 1th1 h LYS 170 N 0.75 0.60 -0.06 0.81 3.11 -1.42 -2.86 116.57 117.49 1th1 h LYS 170 Ca 0.16 -0.34 -0.17 0.00 -2.81 0.00 0.00 60.65 57.49 1th1 h LYS 170 Cb 0.34 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1th1 h LYS 170 CO 0.00 0.94 -0.71 0.00 -2.81 0.00 0.00 179.45 176.87 1th1 h ALA 171 N 1.01 0.66 -0.38 5.00 0.00 -0.88 -2.96 119.26 121.70 1th1 h ALA 171 Ca 0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 1th1 h ALA 171 Cb 0.99 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1th1 h ALA 171 CO 0.09 0.77 0.04 0.00 0.00 0.00 0.00 179.25 180.15 1th1 h ALA 172 N 1.02 1.35 -0.22 0.00 0.00 -0.94 -0.54 119.26 119.92 1th1 h ALA 172 Ca -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1th1 h ALA 172 Cb 1.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1th1 h ALA 172 CO 0.12 0.45 -0.51 0.28 0.00 0.00 0.00 179.25 179.59 1th1 h VAL 173 N 0.57 1.31 -0.07 0.00 2.07 -1.46 -2.31 116.25 116.35 1th1 h VAL 173 Ca 0.12 -1.73 -0.17 0.00 0.82 0.00 0.00 66.70 65.74 1th1 h VAL 173 Cb 0.30 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1th1 h VAL 173 CO 0.01 0.55 -0.70 -0.03 0.02 0.00 0.00 177.57 177.41 1th1 h MET 174 N 0.49 0.33 -0.18 1.57 -1.53 -1.25 -2.78 114.93 111.58 1th1 h MET 174 Ca 0.02 -0.27 -0.15 0.00 -3.44 0.00 0.00 59.70 55.87 1th1 h MET 174 Cb 1.06 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 32.15 1th1 h MET 174 CO 0.10 0.91 -0.51 0.28 0.14 0.00 0.00 176.91 177.83 1th1 h VAL 175 N 0.23 1.32 -0.56 -5.77 2.07 -1.05 -2.85 116.25 109.64 1th1 h VAL 175 Ca -0.02 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 1th1 h VAL 175 Cb 1.26 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1th1 h VAL 175 CO 0.12 0.54 0.24 -0.74 0.02 0.00 0.00 177.57 177.74 1th1 h HIS 176 N 0.39 0.83 0.00 1.57 6.17 -1.33 -2.03 115.15 120.75 1th1 h HIS 176 Ca 0.02 -0.06 -0.07 0.00 0.71 0.00 0.00 60.37 60.97 1th1 h HIS 176 Cb 1.02 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.69 1th1 h HIS 176 CO 0.04 0.67 -0.34 1.96 0.71 0.00 0.00 177.93 180.96 1th1 h GLN 177 N 0.76 0.00 0.00 5.26 1.08 -1.41 -2.75 115.11 118.06 1th1 h GLN 177 Ca 0.19 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1th1 h GLN 177 Cb 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1th1 h GLN 177 CO -0.02 0.34 -0.36 -0.07 -0.95 0.00 0.00 178.83 177.78 1th1 h LEU 178 N 0.00 0.00 -0.04 1.46 3.38 -1.23 -3.14 115.31 115.73 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 0.04 0.34 0.00 -1.54 0.09 0.00 0.00 178.44 177.38 1th1 n SER 179 N -3.18 0.29 0.13 -0.43 3.41 -0.80 -3.10 113.62 109.95 1th1 n SER 179 Ca 0.02 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1th1 n SER 179 Cb 0.67 -0.61 0.27 0.00 -0.26 0.00 0.00 64.21 64.28 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 0.00 0.00 4.33 1.57 -1.52 -3.44 116.57 117.51 1th1 h LYS 180 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1th1 h LYS 180 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1th1 h LYS 180 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.05 1th1 n LYS 181 N -2.48 0.00 0.09 3.15 4.81 -1.18 -5.09 118.16 117.45 1th1 n LYS 181 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1th1 n LYS 181 Cb 0.47 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.52 1th1 n LYS 181 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1th1 n GLU 182 N 0.00 0.00 0.15 1.64 0.00 -1.26 -4.92 120.64 116.25 1th1 n GLU 182 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 1th1 n GLU 182 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 31.44 31.64 1th1 n GLU 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1th1 h ALA 183 N 0.00 0.93 0.00 4.31 0.00 -1.94 -2.75 119.26 119.81 1th1 h ALA 183 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1th1 h ALA 183 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1th1 h ALA 183 CO 0.00 0.69 -0.23 0.66 0.00 0.00 0.00 179.25 180.37 1th1 h SER 184 N 0.00 0.00 0.61 0.00 4.64 -1.85 -3.00 113.55 113.96 1th1 h SER 184 Ca -0.01 -0.06 -0.28 0.00 -0.47 0.00 0.00 61.79 60.98 1th1 h SER 184 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1th1 h SER 184 CO 0.07 0.03 -1.33 -0.09 -0.87 0.00 0.00 176.83 174.64 1th1 h ARG 185 N 0.00 0.22 0.00 4.77 2.43 -1.56 -3.12 114.38 117.12 1th1 h ARG 185 Ca 0.00 -0.38 -0.06 0.00 -0.81 0.00 0.00 59.98 58.73 1th1 h ARG 185 Cb 0.81 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1th1 h ARG 185 CO 0.00 1.13 -0.31 0.45 -1.51 0.00 0.00 179.97 179.73 1th1 h HIS 186 N 0.06 0.00 -0.01 2.20 3.86 -1.47 -2.60 115.15 117.19 1th1 h HIS 186 Ca -0.16 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.79 1th1 h HIS 186 Cb 1.96 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.45 1th1 h HIS 186 CO 0.05 0.31 -1.02 0.00 0.86 0.00 0.00 177.93 178.13 1th1 h ALA 187 N 1.69 0.15 -0.60 2.45 0.00 -1.54 -2.15 119.26 119.26 1th1 h ALA 187 Ca -0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 1th1 h ALA 187 Cb 0.79 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1th1 h ALA 187 CO 0.04 0.69 0.09 0.82 0.00 0.00 0.00 179.25 180.90 1th1 h ILE 188 N 0.40 1.25 0.00 0.00 2.04 -1.48 -2.56 117.51 117.16 1th1 h ILE 188 Ca -0.12 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.67 1th1 h ILE 188 Cb 1.67 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1th1 h ILE 188 CO 0.20 0.36 -0.41 -0.03 0.00 0.00 0.00 178.15 178.27 1th1 h MET 189 N 0.92 0.00 0.00 2.37 4.05 -1.46 -3.16 114.93 117.65 1th1 h MET 189 Ca 0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1th1 h MET 189 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1th1 h MET 189 CO 0.01 0.41 -0.33 -2.13 0.23 0.00 0.00 176.91 175.10 1th1 n ARG 190 N -3.75 0.11 -3.92 0.39 3.00 -0.81 -4.72 116.66 106.95 1th1 n ARG 190 Ca -0.01 0.05 -0.35 0.00 -0.00 0.00 0.00 57.85 57.54 1th1 n ARG 190 Cb 0.49 -1.58 -0.14 0.00 0.00 0.00 0.00 32.46 31.22 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 -3.50 4.65 0.59 6.15 1.04 -1.16 -4.98 113.70 116.49 1th1 s SER 191 Ca 0.11 -1.05 0.35 0.00 0.48 0.00 0.00 55.95 55.84 1th1 s SER 191 Cb 0.16 -1.70 1.84 0.00 0.10 0.00 0.00 66.02 66.42 1th1 s SER 191 CO 0.65 -0.20 2.19 -0.65 0.98 0.00 0.00 173.24 176.21 1th1 h PRO 192 N 8.02 0.00 -0.19 4.02 0.11 -1.86 -2.74 132.00 139.37 1th1 h PRO 192 Ca -0.27 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.64 1th1 h PRO 192 Cb 1.09 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1th1 h PRO 192 CO 0.56 0.04 -0.68 1.96 -0.21 0.00 0.00 178.00 179.67 1th1 h GLN 193 N 0.00 0.79 -0.22 1.05 4.20 -1.93 -2.10 115.11 116.90 1th1 h GLN 193 Ca -0.00 -0.60 -0.07 0.00 0.06 0.00 0.00 58.65 58.04 1th1 h GLN 193 Cb 0.21 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1th1 h GLN 193 CO 0.00 1.22 -0.15 1.98 -0.67 0.00 0.00 178.83 181.21 1th1 h MET 194 N 0.53 0.49 -0.33 1.46 4.05 -1.80 -2.56 114.93 116.77 1th1 h MET 194 Ca -0.03 -0.23 -0.09 0.00 -0.28 0.00 0.00 59.70 59.06 1th1 h MET 194 Cb 1.30 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.09 1th1 h MET 194 CO 0.14 0.79 -0.18 0.28 0.23 0.00 0.00 176.91 178.18 1th1 h VAL 195 N 0.18 1.26 0.00 -5.77 2.07 -1.57 -0.99 116.25 111.42 1th1 h VAL 195 Ca 0.04 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1th1 h VAL 195 Cb 0.67 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1th1 h VAL 195 CO 0.04 0.39 -0.13 0.77 0.02 0.00 0.00 177.57 178.66 1th1 h SER 196 N 0.55 0.00 0.19 0.57 4.64 -1.39 -1.79 113.55 116.32 1th1 h SER 196 Ca 0.09 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.10 1th1 h SER 196 Cb 0.62 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.74 1th1 h SER 196 CO 0.04 0.13 -1.31 0.00 -0.87 0.00 0.00 176.83 174.83 1th1 h ALA 197 N 1.87 -0.04 -0.35 5.18 0.00 -0.99 -2.07 119.26 122.86 1th1 h ALA 197 Ca -0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.07 1th1 h ALA 197 Cb 0.86 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1th1 h ALA 197 CO 0.02 0.71 0.06 0.82 0.00 0.00 0.00 179.25 180.85 1th1 h ILE 198 N 0.24 1.24 -0.30 0.00 2.04 -1.03 -2.23 117.51 117.46 1th1 h ILE 198 Ca -0.20 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1th1 h ILE 198 Cb 1.98 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1th1 h ILE 198 CO 0.25 0.28 -0.03 0.58 0.00 0.00 0.00 178.15 179.23 1th1 h VAL 199 N 0.41 1.27 -0.56 1.67 2.07 -1.39 -2.13 116.25 117.59 1th1 h VAL 199 Ca 0.11 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1th1 h VAL 199 Cb 0.35 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1th1 h VAL 199 CO 0.01 0.33 0.30 -0.09 0.02 0.00 0.00 177.57 178.14 1th1 h ARG 200 N 0.34 0.76 -0.37 1.57 2.43 -1.34 -1.95 114.38 115.82 1th1 h ARG 200 Ca 0.08 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 1th1 h ARG 200 Cb 0.49 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1th1 h ARG 200 CO 0.02 0.56 -0.35 1.15 -1.51 0.00 0.00 179.97 179.84 1th1 h THR 201 N 0.77 1.28 0.26 0.20 2.02 -1.22 -3.06 112.91 113.16 1th1 h THR 201 Ca 0.20 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 1th1 h THR 201 Cb 0.02 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1th1 h THR 201 CO -0.03 0.51 -0.13 -0.03 0.37 0.00 0.00 175.52 176.21 1th1 h MET 202 N 0.72 -0.34 -0.10 6.66 1.85 -0.68 -1.50 114.93 121.53 1th1 h MET 202 Ca 0.07 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1th1 h MET 202 Cb 0.92 0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.03 1th1 h MET 202 CO 0.09 -0.16 0.00 0.00 -0.40 0.00 0.00 176.91 176.44 1th1 n GLN 203 N -5.20 1.31 0.00 0.39 10.64 -1.04 -3.57 117.38 119.91 1th1 n GLN 203 Ca -0.10 -0.47 0.00 0.00 -1.83 0.00 0.00 57.00 54.61 1th1 n GLN 203 Cb 0.19 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 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 -0.22 4.13 -4.81 2.61 3.02 -1.16 -5.06 115.26 113.77 1th1 n ASN 204 Ca 0.09 -0.08 -0.34 0.00 -0.03 0.00 0.00 54.58 54.23 1th1 n ASN 204 Cb 0.14 0.98 -0.07 0.00 -0.61 0.00 0.00 39.78 40.23 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 -1.81 4.35 -0.10 3.41 2.01 -0.57 -4.98 115.64 117.95 1th1 s THR 205 Ca 0.00 1.57 0.06 0.00 0.31 0.00 0.00 61.69 63.62 1th1 s THR 205 Cb 0.00 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.92 1th1 s THR 205 CO 0.00 -0.21 1.06 -0.46 -0.69 0.00 0.00 174.62 174.32 1th1 n ASN 206 N -0.36 2.20 -4.60 3.53 2.04 -1.26 -4.99 115.26 111.82 1th1 n ASN 206 Ca 0.06 -2.29 -0.36 0.00 -0.44 0.00 0.00 54.58 51.55 1th1 n ASN 206 Cb 0.53 -0.13 -0.10 0.00 -2.53 0.00 0.00 39.78 37.54 1th1 n ASN 206 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1th1 s ASP 207 N -1.48 5.70 0.31 0.53 2.15 -1.26 -5.02 116.67 117.61 1th1 s ASP 207 Ca 0.10 0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.11 1th1 s ASP 207 Cb 0.08 -2.01 0.49 0.00 -0.30 0.00 0.00 42.92 41.19 1th1 s ASP 207 CO 0.02 0.08 1.88 -0.37 -0.17 0.00 0.00 175.17 176.61 1th1 h VAL 208 N 5.10 1.20 0.00 1.11 -1.51 -2.00 -2.57 116.25 117.58 1th1 h VAL 208 Ca -0.37 -0.68 -0.08 0.00 -1.23 0.00 0.00 66.70 64.34 1th1 h VAL 208 Cb 1.17 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1th1 h VAL 208 CO 0.65 0.26 -0.36 -0.08 -1.23 0.00 0.00 177.57 176.81 1th1 h GLU 209 N 0.76 0.00 0.22 5.19 4.81 -2.00 -2.85 114.58 120.72 1th1 h GLU 209 Ca 0.18 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.08 1th1 h GLU 209 Cb 0.20 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.61 1th1 h GLU 209 CO -0.01 0.36 -1.50 1.15 -0.73 0.00 0.00 179.01 178.29 1th1 h THR 210 N 0.00 1.25 -0.78 0.32 2.02 -1.88 -2.93 112.91 110.92 1th1 h THR 210 Ca -0.00 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.45 1th1 h THR 210 Cb 0.74 2.98 -0.04 0.00 -1.74 0.00 0.00 68.15 70.09 1th1 h THR 210 CO 0.05 0.83 0.49 0.00 0.37 0.00 0.00 175.52 177.26 1th1 h ALA 211 N 0.23 1.40 0.00 6.16 0.00 -1.32 0.55 119.26 126.28 1th1 h ALA 211 Ca -0.25 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.38 1th1 h ALA 211 Cb 2.13 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1th1 h ALA 211 CO 0.25 0.53 -1.03 0.07 0.00 0.00 0.00 179.25 179.07 1th1 h ARG 212 N 1.06 0.00 -0.15 0.00 0.11 -1.61 -0.04 114.38 113.76 1th1 h ARG 212 Ca 0.28 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.19 1th1 h ARG 212 Cb -0.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 30.99 1th1 h ARG 212 CO -0.06 0.93 -0.62 0.00 0.10 0.00 0.00 179.97 180.33 1th1 h THR 214 N 0.40 1.49 0.00 0.00 2.02 -0.93 -2.67 112.91 113.22 1th1 h THR 214 Ca -0.01 -2.16 -0.05 0.00 0.77 0.00 0.00 66.41 64.96 1th1 h THR 214 Cb 1.18 2.80 -0.01 0.00 -1.74 0.00 0.00 68.15 70.38 1th1 h THR 214 CO 0.11 0.61 -0.25 0.00 0.37 0.00 0.00 175.52 176.37 1th1 h ALA 215 N 0.24 1.08 -0.00 6.16 0.00 -1.04 -2.59 119.26 123.12 1th1 h ALA 215 Ca -0.08 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1th1 h ALA 215 Cb 1.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1th1 h ALA 215 CO 0.11 0.31 -0.83 0.78 0.00 0.00 0.00 179.25 179.62 1th1 h GLY 216 N 1.78 0.12 0.59 0.00 0.00 -1.09 -2.28 103.07 102.19 1th1 h GLY 216 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1th1 h GLY 216 CO 0.03 0.19 -0.01 -0.84 0.00 0.00 0.00 176.54 175.91 1th1 h THR 217 N 0.06 1.34 -0.27 4.70 2.02 -1.10 -2.44 112.91 117.22 1th1 h THR 217 Ca -0.03 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 1th1 h THR 217 Cb 1.44 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 1th1 h THR 217 CO 0.12 0.27 -0.05 -0.07 0.37 0.00 0.00 175.52 176.16 1th1 h LEU 218 N -0.39 0.40 -0.38 2.58 3.38 -1.52 -2.27 115.31 117.11 1th1 h LEU 218 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1th1 h LEU 218 Cb 0.45 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1th1 h LEU 218 CO 0.00 0.51 0.20 -0.74 0.09 0.00 0.00 178.44 178.50 1th1 h HIS 219 N 0.41 0.54 -0.77 1.13 2.76 -1.35 -1.51 115.15 116.36 1th1 h HIS 219 Ca 0.09 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1th1 h HIS 219 Cb 0.35 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 1th1 h HIS 219 CO 0.01 0.44 0.34 -0.91 -1.30 0.00 0.00 177.93 176.51 1th1 h ASN 220 N 0.48 1.02 1.07 3.26 -0.26 -0.92 -2.68 115.58 117.55 1th1 h ASN 220 Ca 0.13 -0.13 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1th1 h ASN 220 Cb 0.09 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1th1 h ASN 220 CO -0.02 0.88 -0.24 -0.07 -1.06 0.00 0.00 177.43 176.92 1th1 h LEU 221 N 1.10 0.00 0.00 1.61 3.38 -1.15 -3.16 115.31 117.09 1th1 h LEU 221 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1th1 h LEU 221 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1th1 h LEU 221 CO -0.03 0.24 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 1th1 n SER 222 N -3.34 0.00 0.08 -0.43 3.41 -0.59 -1.80 113.62 110.95 1th1 n SER 222 Ca 0.01 -0.43 0.12 0.00 -0.26 0.00 0.00 58.87 58.30 1th1 n SER 222 Cb 0.47 -0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.03 0.73 -4.14 7.33 8.25 -1.19 -4.78 115.22 120.39 1th1 n HIS 223 Ca 0.11 0.21 -0.27 0.00 -0.26 0.00 0.00 57.72 57.51 1th1 n HIS 223 Cb 0.06 -0.78 -0.07 0.00 1.12 0.00 0.00 29.99 30.32 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 -3.28 2.98 0.08 4.41 3.76 -0.74 -5.06 115.29 117.45 1th1 s HIS 224 Ca 0.02 -0.07 -0.27 0.00 -0.15 0.00 0.00 55.06 54.59 1th1 s HIS 224 Cb 0.12 -1.46 -0.16 0.00 1.11 0.00 0.00 32.58 32.18 1th1 s HIS 224 CO 0.77 0.51 1.69 -0.09 -0.85 0.00 0.00 174.74 176.77 1th1 h ARG 225 N 2.80 -0.35 0.00 1.40 2.43 -1.91 -1.99 114.38 116.77 1th1 h ARG 225 Ca -0.47 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1th1 h ARG 225 Cb 1.19 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1th1 h ARG 225 CO 0.60 -0.23 -0.21 0.93 -1.51 0.00 0.00 179.97 179.55 1th1 h GLU 226 N -0.36 0.00 -0.36 0.20 5.08 -1.94 -2.49 114.58 114.71 1th1 h GLU 226 Ca -0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1th1 h GLU 226 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1th1 h GLU 226 CO 0.06 0.21 -0.07 0.78 -1.00 0.00 0.00 179.01 178.98 1th1 h GLY 227 N 0.97 0.74 0.99 -3.84 0.00 -1.63 -0.84 103.07 99.45 1th1 h GLY 227 Ca -0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1th1 h GLY 227 CO 0.03 0.55 0.02 1.41 0.00 0.00 0.00 176.54 178.55 1th1 h LEU 228 N 0.48 0.80 -0.62 3.11 3.38 -1.05 -2.11 115.31 119.29 1th1 h LEU 228 Ca 0.09 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1th1 h LEU 228 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1th1 h LEU 228 CO 0.03 0.90 0.04 0.25 0.09 0.00 0.00 178.44 179.75 1th1 h LEU 229 N 0.68 1.05 -0.74 1.67 5.85 -1.40 -1.98 115.31 120.44 1th1 h LEU 229 Ca 0.14 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 1th1 h LEU 229 Cb 0.47 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1th1 h LEU 229 CO 0.02 1.08 -0.10 0.00 -0.34 0.00 0.00 178.44 179.10 1th1 h ALA 230 N 1.01 0.93 -0.36 1.25 0.00 -1.03 0.38 119.26 121.43 1th1 h ALA 230 Ca 0.18 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1th1 h ALA 230 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1th1 h ALA 230 CO 0.03 0.63 -0.12 0.82 0.00 0.00 0.00 179.25 180.60 1th1 h ILE 231 N 0.78 1.28 0.12 0.00 2.04 -1.28 -2.19 117.51 118.25 1th1 h ILE 231 Ca 0.13 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1th1 h ILE 231 Cb 0.61 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1th1 h ILE 231 CO 0.04 0.40 -0.06 0.15 0.00 0.00 0.00 178.15 178.68 1th1 h PHE 232 N 0.51 -0.14 0.00 1.37 3.57 -1.07 0.11 116.94 121.29 1th1 h PHE 232 Ca 0.09 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1th1 h PHE 232 Cb 0.64 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1th1 h PHE 232 CO 0.05 0.10 -0.02 0.87 -2.23 0.00 0.00 178.31 177.09 1th1 h LYS 233 N -0.38 0.00 -0.70 1.11 1.57 -0.25 -2.80 116.57 115.13 1th1 h LYS 233 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1th1 h LYS 233 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1th1 h LYS 233 CO 0.03 0.02 0.04 -1.13 -0.57 0.00 0.00 179.45 177.84 1th1 n SER 234 N -4.46 4.69 -1.70 0.86 3.41 -0.83 -4.90 113.62 110.69 1th1 n SER 234 Ca -0.03 -2.79 -0.14 0.00 -0.26 0.00 0.00 58.87 55.66 1th1 n SER 234 Cb 0.10 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 0.39 -0.16 0.20 5.00 0.00 -1.06 -4.79 105.19 104.78 1th1 n GLY 235 Ca 0.24 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.29 0.00 0.90 -0.02 0.00 -0.96 -3.34 103.07 99.37 1th1 h GLY 236 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1th1 h GLY 236 CO 0.38 0.00 -0.03 -2.22 0.00 0.00 0.00 176.54 174.66 1th1 h ILE 237 N 0.00 1.00 0.00 2.60 2.04 -1.87 -0.86 117.51 120.42 1th1 h ILE 237 Ca -0.00 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1th1 h ILE 237 Cb 0.56 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1th1 h ILE 237 CO 0.04 0.06 -0.05 -0.65 0.00 0.00 0.00 178.15 177.54 1th1 h PRO 238 N -0.19 0.00 -0.10 2.37 0.11 -1.90 -1.43 132.00 130.87 1th1 h PRO 238 Ca -0.01 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 1th1 h PRO 238 Cb 0.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.28 1th1 h PRO 238 CO 0.02 0.05 -0.42 0.00 -0.21 0.00 0.00 178.00 177.43 1th1 h ALA 239 N 1.95 0.19 -0.17 -0.75 0.00 -1.62 -2.74 119.26 116.11 1th1 h ALA 239 Ca -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1th1 h ALA 239 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1th1 h ALA 239 CO 0.01 0.31 -0.42 -0.07 0.00 0.00 0.00 179.25 179.08 1th1 h LEU 240 N 0.04 0.42 -0.99 0.00 3.38 -0.66 -2.69 115.31 114.79 1th1 h LEU 240 Ca -0.02 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1th1 h LEU 240 Cb 1.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1th1 h LEU 240 CO 0.09 0.79 -0.03 0.58 0.09 0.00 0.00 178.44 179.96 1th1 h VAL 241 N 0.33 1.23 -0.13 1.22 2.07 -1.30 -2.29 116.25 117.38 1th1 h VAL 241 Ca 0.03 -0.98 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 1th1 h VAL 241 Cb 0.88 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1th1 h VAL 241 CO 0.07 0.34 -0.43 0.50 0.02 0.00 0.00 177.57 178.07 1th1 h LYS 242 N 0.65 0.32 0.00 1.57 3.64 -1.27 -2.75 116.57 118.73 1th1 h LYS 242 Ca 0.13 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1th1 h LYS 242 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1th1 h LYS 242 CO 0.02 0.69 0.00 -1.33 -2.27 0.00 0.00 179.45 176.56 1th1 n MET 243 N -4.01 0.06 0.03 1.90 2.81 -0.87 -2.05 117.12 114.99 1th1 n MET 243 Ca -0.02 0.29 0.13 0.00 -1.81 0.00 0.00 57.70 56.30 1th1 n MET 243 Cb 0.50 -1.61 0.55 0.00 -0.71 0.00 0.00 33.22 31.95 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 -1.72 0.20 -0.88 4.03 4.77 -1.04 -3.08 117.00 119.28 1th1 n LEU 244 Ca 0.03 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1th1 n LEU 244 Cb 0.20 -0.46 0.28 0.00 -2.33 0.00 0.00 43.42 41.10 1th1 n LEU 244 CO 0.16 -0.07 0.73 0.61 -1.33 0.00 0.00 177.39 177.49 1th1 n GLY 245 N 1.31 1.04 3.76 -0.72 0.00 -0.87 -4.96 105.19 104.75 1th1 n GLY 245 Ca 0.06 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.57 7.52 0.14 1.61 1.04 -1.18 -4.97 113.70 116.29 1th1 s SER 246 Ca 0.35 1.82 0.22 0.00 0.48 0.00 0.00 55.95 58.82 1th1 s SER 246 Cb 0.20 -2.56 0.88 0.00 0.10 0.00 0.00 66.02 64.64 1th1 s SER 246 CO 0.29 0.16 1.68 -0.81 0.98 0.00 0.00 173.24 175.54 1th1 n PRO 247 N 1.43 0.12 -2.78 4.02 -0.04 -1.26 -4.76 135.00 131.74 1th1 n PRO 247 Ca -0.03 0.27 -0.41 0.00 -0.04 0.00 0.00 63.50 63.29 1th1 n PRO 247 Cb 0.48 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.14 4.83 0.24 0.52 1.01 -1.26 -4.99 120.40 117.61 1th1 s VAL 248 Ca 0.08 1.95 -0.00 0.00 0.00 0.00 0.00 61.98 64.00 1th1 s VAL 248 Cb 0.11 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.25 1th1 s VAL 248 CO 0.41 0.21 1.64 0.44 0.00 0.00 0.00 175.10 177.80 1th1 h ASP 249 N 6.52 0.57 -0.45 3.32 5.19 -2.00 -3.18 116.42 126.39 1th1 h ASP 249 Ca -0.41 -0.23 -0.08 0.00 -0.62 0.00 0.00 57.03 55.68 1th1 h ASP 249 Cb 1.21 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1th1 h ASP 249 CO 0.74 0.87 -0.04 0.77 -3.12 0.00 0.00 179.24 178.46 1th1 h SER 250 N 0.46 0.81 -0.47 6.45 4.64 -1.98 -1.43 113.55 122.03 1th1 h SER 250 Ca 0.05 -0.33 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1th1 h SER 250 Cb 0.82 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1th1 h SER 250 CO 0.07 0.95 0.23 0.58 -0.87 0.00 0.00 176.83 177.78 1th1 h VAL 251 N 0.66 1.19 -0.68 0.95 2.07 -1.92 -1.47 116.25 117.04 1th1 h VAL 251 Ca 0.12 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1th1 h VAL 251 Cb 0.55 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1th1 h VAL 251 CO 0.03 0.20 0.29 0.25 0.02 0.00 0.00 177.57 178.37 1th1 h LEU 252 N 0.62 0.92 -0.58 2.57 6.46 -1.51 0.73 115.31 124.52 1th1 h LEU 252 Ca 0.16 -0.16 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 1th1 h LEU 252 Cb 0.11 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1th1 h LEU 252 CO -0.02 0.83 -0.52 -0.26 -0.62 0.00 0.00 178.44 177.84 1th1 h PHE 253 N 0.96 0.63 -0.19 1.25 -1.00 -1.07 -1.80 116.94 115.74 1th1 h PHE 253 Ca 0.23 -0.22 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1th1 h PHE 253 Cb 0.17 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.61 1th1 h PHE 253 CO 0.01 0.92 -0.24 1.88 -1.61 0.00 0.00 178.31 179.28 1th1 h TYR 254 N 0.40 0.60 0.24 -0.55 0.99 -1.03 -2.90 116.97 114.72 1th1 h TYR 254 Ca 0.01 -0.19 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 1th1 h TYR 254 Cb 1.05 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.66 1th1 h TYR 254 CO 0.04 0.88 -0.12 0.00 -0.00 0.00 0.00 178.16 178.96 1th1 h ALA 255 N 0.62 -0.33 -0.02 3.88 0.00 -0.78 -1.96 119.26 120.67 1th1 h ALA 255 Ca 0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1th1 h ALA 255 Cb 0.80 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1th1 h ALA 255 CO 0.06 -0.68 -0.38 0.97 0.00 0.00 0.00 179.25 179.22 1th1 h ILE 256 N -0.33 1.28 -0.21 0.00 6.09 -1.43 -0.93 117.51 121.97 1th1 h ILE 256 Ca -0.03 -1.33 -0.20 0.00 -1.37 0.00 0.00 64.86 61.93 1th1 h ILE 256 Cb 0.26 1.69 0.00 0.00 0.47 0.00 0.00 36.82 39.24 1th1 h ILE 256 CO 0.05 0.38 -0.65 0.74 -3.07 0.00 0.00 178.15 175.61 1th1 h THR 257 N 0.03 1.29 -0.25 2.19 2.02 -1.40 -1.26 112.91 115.53 1th1 h THR 257 Ca 0.00 -1.86 -0.06 0.00 0.77 0.00 0.00 66.41 65.26 1th1 h THR 257 Cb 0.69 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1th1 h THR 257 CO 0.05 0.59 -0.07 0.74 0.37 0.00 0.00 175.52 177.21 1th1 h THR 258 N 0.56 1.28 -0.71 3.16 2.02 -1.12 -1.72 112.91 116.39 1th1 h THR 258 Ca -0.02 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1th1 h THR 258 Cb 1.26 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 1th1 h THR 258 CO 0.13 0.34 0.32 -0.07 0.37 0.00 0.00 175.52 176.61 1th1 h LEU 259 N 0.23 0.93 -0.14 2.58 3.38 -1.15 -1.84 115.31 119.30 1th1 h LEU 259 Ca 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1th1 h LEU 259 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1th1 h LEU 259 CO 0.03 0.80 0.03 -0.74 0.09 0.00 0.00 178.44 178.65 1th1 h HIS 260 N 1.01 0.24 0.00 1.13 2.76 -1.08 0.31 115.15 119.53 1th1 h HIS 260 Ca 0.24 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1th1 h HIS 260 Cb 0.14 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 1th1 h HIS 260 CO 0.01 0.38 -0.15 -0.91 -1.30 0.00 0.00 177.93 175.97 1th1 h ASN 261 N 0.02 0.00 -0.00 3.26 2.35 -1.12 -1.06 115.58 119.04 1th1 h ASN 261 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1th1 h ASN 261 Cb 0.27 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.65 1th1 h ASN 261 CO 0.00 0.15 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.50 1th1 h LEU 262 N 0.00 0.32 -1.91 1.61 3.38 -0.99 -2.26 115.31 115.46 1th1 h LEU 262 Ca -0.00 -0.77 -0.03 0.00 0.09 0.00 0.00 57.88 57.17 1th1 h LEU 262 Cb 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1th1 h LEU 262 CO 0.02 1.05 -0.12 -0.07 0.09 0.00 0.00 178.44 179.41 1th1 h LEU 263 N -0.37 0.00 0.10 1.67 3.38 -0.58 -0.71 115.31 118.80 1th1 h LEU 263 Ca -0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 1th1 h LEU 263 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1th1 h LEU 263 CO 0.07 0.12 -1.31 -0.07 0.09 0.00 0.00 178.44 177.35 1th1 h LEU 264 N 0.00 0.33 -3.00 1.67 3.38 -1.24 -3.43 115.31 113.02 1th1 h LEU 264 Ca -0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1th1 h LEU 264 Cb 0.32 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1th1 h LEU 264 CO 0.02 1.57 0.00 1.41 0.09 0.00 0.00 178.44 181.52 1th1 n HIS 265 N -4.01 0.10 -3.83 1.13 8.25 -0.85 -5.01 115.22 111.00 1th1 n HIS 265 Ca -0.24 -0.63 -0.25 0.00 -0.26 0.00 0.00 57.72 56.33 1th1 n HIS 265 Cb 0.86 -0.08 -0.17 0.00 1.12 0.00 0.00 29.99 31.71 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 -1.52 1.01 0.23 -0.41 2.00 -0.28 -5.02 119.66 115.67 1th1 s GLN 266 Ca 0.12 -0.07 -0.30 0.00 -2.00 0.00 0.00 55.36 53.12 1th1 s GLN 266 Cb 0.10 -1.28 -0.09 0.00 0.80 0.00 0.00 33.01 32.54 1th1 s GLN 266 CO 0.03 -0.30 1.29 -1.83 -0.50 0.00 0.00 175.29 173.98 1th1 s GLU 267 N 1.85 4.41 0.00 1.67 -1.05 -1.26 -2.62 118.70 121.70 1th1 s GLU 267 Ca 0.05 2.05 0.00 0.00 -0.15 0.00 0.00 54.97 56.92 1th1 s GLU 267 Cb -0.13 -3.17 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 1th1 s GLU 267 CO -0.07 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.36 1th1 n GLY 268 N 1.98 3.36 0.38 -3.83 0.00 -1.26 -4.92 105.19 100.89 1th1 n GLY 268 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.32 0.10 4.61 0.00 -1.79 -1.52 119.26 121.98 1th1 h ALA 269 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1th1 h ALA 269 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1th1 h ALA 269 CO 0.00 0.60 -0.11 0.87 0.00 0.00 0.00 179.25 180.61 1th1 h LYS 270 N 1.31 -0.22 -0.69 0.00 1.57 -1.89 -0.32 116.57 116.32 1th1 h LYS 270 Ca 0.39 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.12 1th1 h LYS 270 Cb -0.05 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1th1 h LYS 270 CO -0.11 -0.15 0.18 1.98 -0.57 0.00 0.00 179.45 180.78 1th1 h MET 271 N -0.23 1.09 -0.78 3.15 4.05 -1.94 -2.12 114.93 118.14 1th1 h MET 271 Ca 0.01 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 1th1 h MET 271 Cb 0.23 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1th1 h MET 271 CO -0.03 0.96 0.39 0.00 0.23 0.00 0.00 176.91 178.46 1th1 h ALA 272 N 1.08 1.01 -0.48 0.39 0.00 -1.01 -0.69 119.26 119.56 1th1 h ALA 272 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1th1 h ALA 272 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1th1 h ALA 272 CO -0.00 0.56 -0.19 0.28 0.00 0.00 0.00 179.25 179.89 1th1 h VAL 273 N 1.10 1.27 0.03 0.00 2.07 -0.78 -0.64 116.25 119.29 1th1 h VAL 273 Ca 0.27 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1th1 h VAL 273 Cb 0.10 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1th1 h VAL 273 CO -0.04 0.47 -0.01 0.03 0.02 0.00 0.00 177.57 178.04 1th1 h ARG 274 N 0.84 -0.04 -0.18 1.57 3.08 -1.05 0.12 114.38 118.73 1th1 h ARG 274 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1th1 h ARG 274 Cb 0.76 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1th1 h ARG 274 CO 0.06 0.22 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.04 1th1 h LEU 275 N -0.29 0.25 -0.09 3.04 3.38 -1.08 -1.23 115.31 119.28 1th1 h LEU 275 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1th1 h LEU 275 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1th1 h LEU 275 CO 0.01 0.36 -0.01 0.00 0.09 0.00 0.00 178.44 178.88 1th1 n ALA 276 N -2.49 2.65 -2.47 1.53 0.00 -0.25 -4.92 120.51 114.55 1th1 n ALA 276 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.16 1th1 n ALA 276 Cb 0.23 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 1.09 0.32 0.17 0.00 0.00 -0.47 -4.95 105.19 101.35 1th1 n GLY 277 Ca 0.21 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.40 0.00 0.85 -0.02 0.00 -0.95 -3.29 103.07 99.27 1th1 h GLY 278 Ca -0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1th1 h GLY 278 CO 0.17 0.00 0.03 1.41 0.00 0.00 0.00 176.54 178.15 1th1 h LEU 279 N 0.00 0.38 -1.25 3.11 3.38 -1.87 0.44 115.31 119.50 1th1 h LEU 279 Ca -0.00 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1th1 h LEU 279 Cb 0.93 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1th1 h LEU 279 CO 0.06 0.56 0.49 1.56 0.09 0.00 0.00 178.44 181.20 1th1 h GLN 280 N 0.20 0.99 0.05 1.13 7.50 -1.92 -0.80 115.11 122.25 1th1 h GLN 280 Ca 0.07 -0.06 -0.27 0.00 0.50 0.00 0.00 58.65 58.89 1th1 h GLN 280 Cb 0.34 -0.22 0.02 0.00 0.05 0.00 0.00 27.48 27.67 1th1 h GLN 280 CO 0.01 0.66 -1.10 0.87 -1.50 0.00 0.00 178.83 177.77 1th1 h LYS 281 N 1.02 0.60 -0.15 1.46 1.57 -1.59 -2.99 116.57 116.49 1th1 h LYS 281 Ca 0.28 -0.71 -0.09 0.00 -1.87 0.00 0.00 60.65 58.25 1th1 h LYS 281 Cb -0.11 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1th1 h LYS 281 CO -0.06 1.30 -0.32 0.52 -0.57 0.00 0.00 179.45 180.32 1th1 h MET 282 N 0.31 0.30 -0.07 3.15 2.86 -0.41 -2.61 114.93 118.47 1th1 h MET 282 Ca -0.14 -0.12 -0.17 0.00 -2.06 0.00 0.00 59.70 57.21 1th1 h MET 282 Cb 1.76 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.40 1th1 h MET 282 CO 0.21 0.59 -0.68 0.28 1.06 0.00 0.00 176.91 178.37 1th1 h VAL 283 N 0.26 1.39 0.00 -2.22 2.07 -1.23 -3.02 116.25 113.50 1th1 h VAL 283 Ca 0.03 -2.11 -0.05 0.00 0.82 0.00 0.00 66.70 65.40 1th1 h VAL 283 Cb 0.70 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1th1 h VAL 283 CO 0.05 0.63 -0.24 0.00 0.02 0.00 0.00 177.57 178.03 1th1 h ALA 284 N 1.06 1.08 -0.00 1.67 0.00 -1.34 -2.59 119.26 119.14 1th1 h ALA 284 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1th1 h ALA 284 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1th1 h ALA 284 CO 0.11 0.30 -0.04 1.28 0.00 0.00 0.00 179.25 180.90 1th1 n LEU 285 N -3.49 0.38 0.00 0.00 4.77 -1.01 -3.81 117.00 113.84 1th1 n LEU 285 Ca -0.00 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1th1 n LEU 285 Cb 0.41 -0.12 0.69 0.00 -2.33 0.00 0.00 43.42 42.07 1th1 n LEU 285 CO 0.34 0.07 0.92 0.18 -1.33 0.00 0.00 177.39 177.56 1th1 n LEU 286 N -0.88 0.00 -0.41 2.23 4.77 -0.98 -2.55 117.00 119.18 1th1 n LEU 286 Ca 0.18 0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.42 1th1 n LEU 286 Cb 0.23 -0.13 0.48 0.00 -2.33 0.00 0.00 43.42 41.67 1th1 n LEU 286 CO 0.21 -0.03 0.81 -0.46 -1.33 0.00 0.00 177.39 176.59 1th1 n ASN 287 N -1.13 1.36 -4.82 -1.43 2.04 -1.25 -4.90 115.26 105.13 1th1 n ASN 287 Ca 0.16 -1.32 -0.29 0.00 -0.44 0.00 0.00 54.58 52.69 1th1 n ASN 287 Cb 0.13 0.04 0.11 0.00 -2.53 0.00 0.00 39.78 37.54 1th1 n ASN 287 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1th1 s LYS 288 N -2.15 1.58 -0.01 -3.83 -0.14 -1.06 -5.04 119.74 109.09 1th1 s LYS 288 Ca 0.34 0.30 0.06 0.00 -1.36 0.00 0.00 55.97 55.31 1th1 s LYS 288 Cb 0.20 -1.89 -0.08 0.00 -1.68 0.00 0.00 37.83 34.38 1th1 s LYS 288 CO 0.39 -1.90 0.17 2.41 -0.76 0.00 0.00 175.35 175.65 1th1 n THR 289 N -3.56 0.00 -1.98 2.17 -1.04 -1.26 -4.97 114.28 103.64 1th1 n THR 289 Ca 0.07 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.05 61.45 1th1 n THR 289 Cb 0.59 0.55 -0.03 0.00 -1.82 0.00 0.00 70.33 69.62 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 -2.36 6.11 0.27 8.00 3.84 -1.26 -4.88 114.94 124.65 1th1 s ASN 290 Ca -0.01 1.62 -0.02 0.00 0.21 0.00 0.00 52.86 54.66 1th1 s ASN 290 Cb 0.04 -2.53 0.37 0.00 -0.55 0.00 0.00 41.25 38.58 1th1 s ASN 290 CO 0.25 -1.48 1.84 -0.37 -2.79 0.00 0.00 177.10 174.55 1th1 h VAL 291 N 6.46 1.23 -0.16 -5.21 -1.51 -1.98 -0.57 116.25 114.51 1th1 h VAL 291 Ca -0.36 -0.74 -0.10 0.00 -1.23 0.00 0.00 66.70 64.27 1th1 h VAL 291 Cb 1.17 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 1th1 h VAL 291 CO 1.00 0.29 -0.35 0.11 -1.23 0.00 0.00 177.57 177.39 1th1 h LYS 292 N 0.92 0.33 -0.13 5.19 1.57 -2.00 -1.01 116.57 121.44 1th1 h LYS 292 Ca 0.21 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1th1 h LYS 292 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1th1 h LYS 292 CO -0.02 0.65 -0.19 0.35 -0.57 0.00 0.00 179.45 179.67 1th1 h PHE 293 N 0.28 0.45 0.00 -1.35 3.57 -1.86 -2.86 116.94 115.17 1th1 h PHE 293 Ca 0.03 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1th1 h PHE 293 Cb 0.76 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1th1 h PHE 293 CO 0.02 0.80 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.66 1th1 h LEU 294 N -0.04 0.00 -0.28 0.59 3.38 -0.93 -1.44 115.31 116.59 1th1 h LEU 294 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1th1 h LEU 294 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1th1 h LEU 294 CO 0.04 0.17 -0.26 0.00 0.09 0.00 0.00 178.44 178.49 1th1 h ALA 295 N 1.83 0.40 -0.12 1.53 0.00 -1.05 -1.13 119.26 120.72 1th1 h ALA 295 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1th1 h ALA 295 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1th1 h ALA 295 CO 0.02 0.39 -0.01 0.82 0.00 0.00 0.00 179.25 180.48 1th1 h ILE 296 N 0.40 1.27 -0.75 0.00 1.08 -1.28 -1.84 117.51 116.38 1th1 h ILE 296 Ca 0.05 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.61 1th1 h ILE 296 Cb 0.82 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 1th1 h ILE 296 CO 0.07 0.25 0.35 0.74 -0.69 0.00 0.00 178.15 178.87 1th1 h THR 297 N -0.07 1.24 -0.04 -0.27 2.02 -1.28 -1.24 112.91 113.27 1th1 h THR 297 Ca 0.03 -0.69 -0.12 0.00 0.77 0.00 0.00 66.41 66.40 1th1 h THR 297 Cb 0.40 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1th1 h THR 297 CO 0.01 0.29 -0.52 0.74 0.37 0.00 0.00 175.52 176.41 1th1 h THR 298 N 1.05 1.37 -0.12 3.16 2.02 -1.18 -2.31 112.91 116.91 1th1 h THR 298 Ca 0.26 -1.79 -0.14 0.00 0.77 0.00 0.00 66.41 65.51 1th1 h THR 298 Cb 0.13 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1th1 h THR 298 CO -0.03 0.52 -0.52 -0.78 0.37 0.00 0.00 175.52 175.08 1th1 h ASP 299 N 0.09 0.35 -0.61 4.18 3.58 -0.66 -1.95 116.42 121.40 1th1 h ASP 299 Ca -0.00 -0.18 -0.08 0.00 0.42 0.00 0.00 57.03 57.19 1th1 h ASP 299 Cb 0.95 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.88 1th1 h ASP 299 CO 0.07 0.81 0.09 0.00 -2.88 0.00 0.00 179.24 177.34 1th1 h LEU 301 N 0.98 0.16 -0.01 0.00 3.38 -1.01 -2.15 115.31 116.66 1th1 h LEU 301 Ca 0.19 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1th1 h LEU 301 Cb 0.43 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1th1 h LEU 301 CO 0.01 0.55 -0.01 -0.61 0.09 0.00 0.00 178.44 178.47 1th1 h GLN 302 N 0.13 0.03 -0.96 1.13 -0.00 -0.83 -0.98 115.11 113.63 1th1 h GLN 302 Ca 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1th1 h GLN 302 Cb 0.77 -0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.20 1th1 h GLN 302 CO 0.06 0.44 0.58 0.82 0.00 0.00 0.00 178.83 180.74 1th1 h ILE 303 N -0.39 1.26 0.00 2.39 2.04 -1.25 -1.61 117.51 119.95 1th1 h ILE 303 Ca 0.00 -0.56 -0.18 0.00 1.00 0.00 0.00 64.86 65.13 1th1 h ILE 303 Cb 0.44 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 1th1 h ILE 303 CO 0.00 0.27 -0.84 -0.07 0.00 0.00 0.00 178.15 177.51 1th1 h LEU 304 N 1.32 0.00 0.00 1.44 3.38 -1.38 -3.30 115.31 116.77 1th1 h LEU 304 Ca 0.34 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.20 1th1 h LEU 304 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1th1 h LEU 304 CO -0.07 0.84 -0.96 0.00 0.09 0.00 0.00 178.44 178.34 1th1 h ALA 305 N 1.16 0.66 -1.78 1.53 0.00 -0.99 -3.44 119.26 116.40 1th1 h ALA 305 Ca -0.01 -0.56 -0.63 0.00 0.00 0.00 0.00 54.91 53.71 1th1 h ALA 305 Cb 1.52 0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1th1 h ALA 305 CO 0.11 0.65 1.20 0.98 0.00 0.00 0.00 179.25 182.20 1th1 n TYR 306 N -3.00 2.11 -1.02 0.00 9.36 -0.62 -2.34 117.16 121.65 1th1 n TYR 306 Ca -0.04 0.08 -0.01 0.00 3.32 0.00 0.00 57.90 61.26 1th1 n TYR 306 Cb 0.75 -2.63 -0.00 0.00 -0.63 0.00 0.00 39.34 36.83 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 5.03 0.13 3.07 2.98 0.00 -1.26 -4.95 105.19 110.19 1th1 n GLY 307 Ca 0.28 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.03 4.97 0.46 1.61 3.84 -0.99 -4.99 114.94 117.82 1th1 s ASN 308 Ca 0.00 -2.07 0.12 0.00 0.21 0.00 0.00 52.86 51.13 1th1 s ASN 308 Cb 0.00 -1.71 1.06 0.00 -0.55 0.00 0.00 41.25 40.05 1th1 s ASN 308 CO 0.00 -0.44 2.08 1.56 -2.79 0.00 0.00 177.10 177.51 1th1 h GLN 309 N 7.80 0.19 -0.22 0.43 1.08 -1.92 -2.81 115.11 119.65 1th1 h GLN 309 Ca -0.08 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 1th1 h GLN 309 Cb 1.03 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1th1 h GLN 309 CO 0.59 0.17 -0.16 1.49 -0.95 0.00 0.00 178.83 179.98 1th1 h GLU 310 N 0.19 0.50 0.00 1.46 4.57 -1.95 -2.50 114.58 116.85 1th1 h GLU 310 Ca 0.05 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 1th1 h GLU 310 Cb 0.07 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1th1 h GLU 310 CO -0.00 0.81 -0.17 0.66 -1.18 0.00 0.00 179.01 179.12 1th1 h SER 311 N 0.20 0.00 0.53 1.04 4.64 -1.84 -2.43 113.55 115.68 1th1 h SER 311 Ca 0.04 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.18 1th1 h SER 311 Cb 0.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1th1 h SER 311 CO 0.04 0.17 -0.82 0.11 -0.87 0.00 0.00 176.83 175.46 1th1 h LYS 312 N 0.00 0.21 0.00 4.77 1.57 -1.37 -2.46 116.57 119.29 1th1 h LYS 312 Ca -0.00 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1th1 h LYS 312 Cb 0.63 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1th1 h LYS 312 CO 0.02 0.92 -0.45 -0.07 -0.57 0.00 0.00 179.45 179.30 1th1 h LEU 313 N 0.13 0.00 -0.04 2.94 3.38 -1.03 -2.40 115.31 118.29 1th1 h LEU 313 Ca -0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1th1 h LEU 313 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1th1 h LEU 313 CO 0.13 0.45 -0.26 0.40 0.09 0.00 0.00 178.44 179.25 1th1 h ILE 314 N 0.00 1.46 -0.91 1.22 2.04 -1.36 -1.84 117.51 118.12 1th1 h ILE 314 Ca -0.00 -1.74 0.06 0.00 1.00 0.00 0.00 64.86 64.18 1th1 h ILE 314 Cb 1.14 2.45 -0.06 0.00 -0.74 0.00 0.00 36.82 39.61 1th1 h ILE 314 CO 0.06 0.49 0.59 0.40 0.00 0.00 0.00 178.15 179.69 1th1 h ILE 315 N -0.30 1.07 -0.25 -0.67 2.04 -1.43 -0.73 117.51 117.25 1th1 h ILE 315 Ca -0.02 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.36 1th1 h ILE 315 Cb 0.93 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1th1 h ILE 315 CO 0.05 0.19 -0.33 0.25 0.00 0.00 0.00 178.15 178.31 1th1 h LEU 316 N 1.03 0.72 -1.35 1.44 5.85 -1.42 0.28 115.31 121.86 1th1 h LEU 316 Ca 0.39 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1th1 h LEU 316 Cb 0.20 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1th1 h LEU 316 CO -0.15 1.08 0.13 0.00 -0.34 0.00 0.00 178.44 179.16 1th1 h ALA 317 N 0.66 1.48 -0.38 1.25 0.00 -0.52 -2.43 119.26 119.32 1th1 h ALA 317 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1th1 h ALA 317 Cb 0.91 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1th1 h ALA 317 CO 0.08 0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 1th1 n SER 318 N -4.35 2.92 -0.33 0.00 3.41 -0.36 -4.91 113.62 110.00 1th1 n SER 318 Ca 0.03 -2.25 -0.03 0.00 -0.26 0.00 0.00 58.87 56.36 1th1 n SER 318 Cb 0.17 -0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 0.79 0.30 0.12 5.00 0.00 -0.92 -4.83 105.19 105.64 1th1 n GLY 319 Ca 0.15 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.05 0.23 -0.02 0.00 -0.61 -2.94 103.07 99.69 1th1 h GLY 320 Ca -0.07 0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.46 1th1 h GLY 320 CO 0.08 -0.08 0.22 -2.55 0.00 0.00 0.00 176.54 174.21 1th1 h PRO 321 N -0.11 0.36 -0.61 4.80 0.11 -1.88 -0.54 132.00 134.13 1th1 h PRO 321 Ca 0.04 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1th1 h PRO 321 Cb 0.16 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1th1 h PRO 321 CO -0.09 0.24 0.07 0.37 -0.21 0.00 0.00 178.00 178.37 1th1 h GLN 322 N 0.37 1.03 -0.60 1.05 5.75 -1.86 -1.33 115.11 119.51 1th1 h GLN 322 Ca 0.35 -0.29 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 1th1 h GLN 322 Cb 0.49 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1th1 h GLN 322 CO -0.37 0.98 -0.02 0.00 -2.65 0.00 0.00 178.83 176.76 1th1 h ALA 323 N 1.01 0.83 -0.16 3.38 0.00 -1.23 -1.22 119.26 121.87 1th1 h ALA 323 Ca 0.18 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 1th1 h ALA 323 Cb 0.47 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1th1 h ALA 323 CO 0.02 0.67 -0.75 -0.07 0.00 0.00 0.00 179.25 179.12 1th1 h LEU 324 N 0.97 0.91 -0.90 0.00 3.38 -0.99 -2.63 115.31 116.06 1th1 h LEU 324 Ca 0.17 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1th1 h LEU 324 Cb 0.58 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1th1 h LEU 324 CO 0.03 1.38 -0.32 0.58 0.09 0.00 0.00 178.44 180.21 1th1 h VAL 325 N 0.53 1.28 -0.46 1.22 2.07 -1.20 -2.56 116.25 117.14 1th1 h VAL 325 Ca -0.04 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1th1 h VAL 325 Cb 1.38 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1th1 h VAL 325 CO 0.15 0.43 -0.05 0.78 0.02 0.00 0.00 177.57 178.91 1th1 h ASN 326 N 0.37 0.76 -0.66 0.57 -0.26 -1.16 -2.55 115.58 112.65 1th1 h ASN 326 Ca 0.05 -0.20 -0.05 0.00 -0.56 0.00 0.00 56.30 55.54 1th1 h ASN 326 Cb 0.74 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 1th1 h ASN 326 CO 0.06 0.85 0.22 0.40 -1.06 0.00 0.00 177.43 177.90 1th1 h ILE 327 N 0.72 1.25 -0.09 2.81 2.04 -1.14 -1.87 117.51 121.23 1th1 h ILE 327 Ca 0.13 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1th1 h ILE 327 Cb 0.51 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1th1 h ILE 327 CO 0.03 0.32 -0.16 0.24 0.00 0.00 0.00 178.15 178.58 1th1 h MET 328 N 0.95 0.14 -0.04 2.37 2.86 -1.07 -1.87 114.93 118.27 1th1 h MET 328 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1th1 h MET 328 Cb 0.27 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1th1 h MET 328 CO -0.01 0.31 0.00 2.89 1.06 0.00 0.00 176.91 181.16 1th1 n ARG 329 N -4.28 2.23 -0.08 1.72 1.85 -1.07 -4.55 116.66 112.48 1th1 n ARG 329 Ca -0.01 -1.89 -0.11 0.00 -1.00 0.00 0.00 57.85 54.83 1th1 n ARG 329 Cb 0.27 -1.45 -0.07 0.00 -1.05 0.00 0.00 32.46 30.16 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 1.31 0.89 -3.06 8.89 -1.04 -0.72 -5.06 114.28 115.49 1th1 n THR 330 Ca 0.14 -0.33 -0.21 0.00 -2.04 0.00 0.00 64.05 61.60 1th1 n THR 330 Cb 0.58 -1.08 0.01 0.00 -1.82 0.00 0.00 70.33 68.02 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 -2.31 3.07 0.00 -1.42 1.51 -0.73 -5.05 117.35 112.42 1th1 s TYR 331 Ca -0.21 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1th1 s TYR 331 Cb 0.06 -2.32 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 1th1 s TYR 331 CO 0.35 -0.37 0.00 2.41 -1.11 0.00 0.00 175.55 176.83 1th1 n THR 332 N -1.98 0.00 -2.21 -0.71 -1.04 -1.26 -4.93 114.28 102.15 1th1 n THR 332 Ca 0.03 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.33 1th1 n THR 332 Cb 0.58 0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 69.97 1th1 n THR 332 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1th1 s TYR 333 N -0.75 2.22 0.19 -1.42 5.04 -1.26 -4.92 117.35 116.46 1th1 s TYR 333 Ca 0.00 0.65 -0.21 0.00 -2.44 0.00 0.00 57.07 55.08 1th1 s TYR 333 Cb 0.00 -4.12 0.14 0.00 0.35 0.00 0.00 41.96 38.32 1th1 s TYR 333 CO 0.00 -2.43 1.58 1.49 -1.34 0.00 0.00 175.55 174.85 1th1 h GLU 334 N 11.03 -0.13 -0.69 4.97 4.22 -1.99 -1.55 114.58 130.43 1th1 h GLU 334 Ca -0.30 0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.27 1th1 h GLU 334 Cb 1.13 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1th1 h GLU 334 CO 1.04 -0.09 0.46 0.87 -2.18 0.00 0.00 179.01 179.12 1th1 h LYS 335 N -0.14 0.39 0.01 1.92 1.57 -1.98 -0.28 116.57 118.07 1th1 h LYS 335 Ca 0.25 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.79 1th1 h LYS 335 Cb 0.56 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.80 1th1 h LYS 335 CO -0.75 0.26 -0.84 1.25 -0.57 0.00 0.00 179.45 178.80 1th1 h LEU 336 N 0.40 0.72 -0.89 2.94 5.85 -1.60 -2.04 115.31 120.69 1th1 h LEU 336 Ca 0.33 -0.76 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 1th1 h LEU 336 Cb 0.73 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1th1 h LEU 336 CO -0.10 1.39 0.11 -0.07 -0.34 0.00 0.00 178.44 179.43 1th1 h LEU 337 N 0.12 0.88 -0.02 2.25 3.38 -0.81 -0.36 115.31 120.76 1th1 h LEU 337 Ca -0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1th1 h LEU 337 Cb 1.53 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1th1 h LEU 337 CO 0.17 0.88 -0.00 -0.25 0.09 0.00 0.00 178.44 179.32 1th1 h TRP 338 N 0.88 0.05 -0.59 1.13 7.01 -1.10 -1.15 115.95 122.18 1th1 h TRP 338 Ca 0.18 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 1th1 h TRP 338 Cb 0.37 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 1th1 h TRP 338 CO 0.02 0.36 0.18 1.15 -2.79 0.00 0.00 178.44 177.37 1th1 h THR 339 N -0.27 1.23 -0.45 2.65 2.02 -1.27 -1.95 112.91 114.87 1th1 h THR 339 Ca 0.01 -0.78 -0.13 0.00 0.77 0.00 0.00 66.41 66.28 1th1 h THR 339 Cb 0.34 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1th1 h THR 339 CO 0.00 0.30 -0.23 0.74 0.37 0.00 0.00 175.52 176.70 1th1 h THR 340 N 0.87 1.27 -0.29 3.16 2.02 -0.98 -2.53 112.91 116.43 1th1 h THR 340 Ca 0.20 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 1th1 h THR 340 Cb 0.25 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1th1 h THR 340 CO -0.01 0.48 -0.06 0.77 0.37 0.00 0.00 175.52 177.07 1th1 h SER 341 N 0.80 0.44 -0.32 4.18 4.64 -0.91 -0.23 113.55 122.14 1th1 h SER 341 Ca 0.10 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 1th1 h SER 341 Cb 0.81 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1th1 h SER 341 CO 0.07 0.55 -0.11 0.03 -0.87 0.00 0.00 176.83 176.50 1th1 h ARG 342 N 0.44 0.74 -0.20 4.77 3.08 -1.08 0.29 114.38 122.42 1th1 h ARG 342 Ca 0.09 -0.24 -0.19 0.00 0.07 0.00 0.00 59.98 59.71 1th1 h ARG 342 Cb 0.38 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.37 1th1 h ARG 342 CO 0.02 0.83 -0.61 0.28 -1.07 0.00 0.00 179.97 179.42 1th1 h VAL 343 N 0.68 1.29 -0.04 2.04 2.07 -0.99 -2.18 116.25 119.11 1th1 h VAL 343 Ca 0.12 -1.81 -0.07 0.00 0.82 0.00 0.00 66.70 65.76 1th1 h VAL 343 Cb 0.57 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1th1 h VAL 343 CO 0.04 0.58 -0.28 -0.07 0.02 0.00 0.00 177.57 177.85 1th1 h LEU 344 N 0.51 0.07 -0.12 2.57 3.38 -0.70 -1.48 115.31 119.54 1th1 h LEU 344 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1th1 h LEU 344 Cb 1.23 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1th1 h LEU 344 CO 0.13 0.35 -0.02 0.50 0.09 0.00 0.00 178.44 179.50 1th1 h LYS 345 N 0.07 0.21 -0.85 1.13 3.64 -0.24 -1.05 116.57 119.49 1th1 h LYS 345 Ca 0.01 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1th1 h LYS 345 Cb 0.53 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1th1 h LYS 345 CO 0.04 0.49 0.56 0.28 -2.27 0.00 0.00 179.45 178.55 1th1 h VAL 346 N -0.08 1.22 0.00 2.00 2.07 -1.15 -2.50 116.25 117.81 1th1 h VAL 346 Ca 0.03 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1th1 h VAL 346 Cb 0.41 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1th1 h VAL 346 CO 0.01 0.21 -0.04 -0.07 0.02 0.00 0.00 177.57 177.71 1th1 h LEU 347 N 1.15 0.00 -0.48 2.57 3.38 -1.17 -3.29 115.31 117.48 1th1 h LEU 347 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1th1 h LEU 347 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1th1 h LEU 347 CO -0.07 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 1th1 n SER 348 N -3.12 0.62 0.13 -0.43 3.41 -0.41 -2.62 113.62 111.21 1th1 n SER 348 Ca 0.03 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.35 1th1 n SER 348 Cb 0.47 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 1th1 n SER 348 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1th1 h VAL 349 N 0.00 0.22 -2.94 -3.33 -1.51 -1.67 -3.42 116.25 103.61 1th1 h VAL 349 Ca 0.00 -1.37 -0.57 0.00 -1.23 0.00 0.00 66.70 63.54 1th1 h VAL 349 Cb 0.43 1.88 -0.04 0.00 -2.13 0.00 0.00 31.29 31.43 1th1 h VAL 349 CO 0.00 0.13 0.87 0.00 -1.23 0.00 0.00 177.57 177.34 1th1 h SER 351 N 8.08 0.00 0.00 0.00 4.64 -1.87 -0.60 113.55 123.80 1th1 h SER 351 Ca -0.27 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.76 1th1 h SER 351 Cb 1.11 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 1th1 h SER 351 CO 0.96 0.00 -2.23 -1.54 -0.87 0.00 0.00 176.83 173.15 1th1 n SER 352 N -2.90 0.38 0.09 4.97 3.41 -1.26 -4.44 113.62 113.87 1th1 n SER 352 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.45 1th1 n SER 352 Cb 0.19 1.10 -0.11 0.00 -0.26 0.00 0.00 64.21 65.13 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 0.37 -0.16 4.04 2.35 -1.68 -3.36 115.58 117.16 1th1 h ASN 353 Ca -0.44 -0.37 0.05 0.00 -0.55 0.00 0.00 56.30 54.99 1th1 h ASN 353 Cb 1.98 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 40.17 1th1 h ASN 353 CO 0.02 1.26 -0.28 0.50 -1.65 0.00 0.00 177.43 177.28 1th1 h LYS 354 N 0.09 -0.32 0.00 0.81 3.64 -1.25 -1.70 116.57 117.84 1th1 h LYS 354 Ca -0.10 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1th1 h LYS 354 Cb 1.83 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 1th1 h LYS 354 CO 0.18 -0.21 -0.20 -1.00 -2.27 0.00 0.00 179.45 175.95 1th1 h PRO 355 N -0.33 0.00 -0.39 1.90 0.13 -1.78 -2.80 132.00 128.72 1th1 h PRO 355 Ca 0.11 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 1th1 h PRO 355 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1th1 h PRO 355 CO -0.35 0.20 -0.36 0.00 -0.23 0.00 0.00 178.00 177.26 1th1 h ALA 356 N 1.80 0.64 -0.36 -0.56 0.00 -1.53 -0.53 119.26 118.72 1th1 h ALA 356 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1th1 h ALA 356 Cb 0.61 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1th1 h ALA 356 CO 0.03 0.67 -0.18 0.82 0.00 0.00 0.00 179.25 180.59 1th1 h ILE 357 N 0.75 1.26 -0.20 0.00 2.04 -1.19 -2.13 117.51 118.03 1th1 h ILE 357 Ca 0.07 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 1th1 h ILE 357 Cb 0.94 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1th1 h ILE 357 CO 0.09 0.41 -0.18 0.58 0.00 0.00 0.00 178.15 179.04 1th1 h VAL 358 N 0.61 1.33 -0.32 1.67 2.07 -1.24 0.45 116.25 120.80 1th1 h VAL 358 Ca 0.09 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1th1 h VAL 358 Cb 0.65 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1th1 h VAL 358 CO 0.05 0.41 0.07 -0.33 0.02 0.00 0.00 177.57 177.79 1th1 h GLU 359 N 0.15 0.47 0.00 1.57 4.39 -1.01 -1.70 114.58 118.45 1th1 h GLU 359 Ca 0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1th1 h GLU 359 Cb 0.72 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1th1 h GLU 359 CO 0.05 0.44 0.00 0.00 -1.16 0.00 0.00 179.01 178.34 1th1 n ALA 360 N -2.48 1.88 -0.79 3.43 0.00 -0.81 -4.89 120.51 116.84 1th1 n ALA 360 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1th1 n ALA 360 Cb 0.18 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.46 1.28 0.30 0.00 0.00 -0.64 -4.95 105.19 101.64 1th1 n GLY 361 Ca 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 0.79 0.93 -0.02 0.00 -1.04 -2.25 103.07 101.49 1th1 h GLY 362 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1th1 h GLY 362 CO 0.00 0.41 -0.21 -0.33 0.00 0.00 0.00 176.54 176.41 1th1 h MET 363 N 0.72 -0.55 -0.88 4.80 2.86 -1.86 -1.23 114.93 118.80 1th1 h MET 363 Ca 0.17 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.87 1th1 h MET 363 Cb 0.24 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1th1 h MET 363 CO -0.01 -0.33 0.57 1.96 1.06 0.00 0.00 176.91 180.17 1th1 h GLN 364 N -0.65 1.09 0.01 1.72 7.50 -1.90 -0.69 115.11 122.18 1th1 h GLN 364 Ca -0.06 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.03 1th1 h GLN 364 Cb 0.48 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1th1 h GLN 364 CO 0.10 0.72 -0.00 0.00 -1.50 0.00 0.00 178.83 178.14 1th1 h ALA 365 N 1.35 -0.01 0.00 3.87 0.00 -1.29 -2.67 119.26 120.52 1th1 h ALA 365 Ca 0.34 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1th1 h ALA 365 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1th1 h ALA 365 CO -0.11 -0.40 -0.27 -0.07 0.00 0.00 0.00 179.25 178.40 1th1 h LEU 366 N -0.22 0.00 -2.04 0.00 3.38 -1.07 -2.88 115.31 112.48 1th1 h LEU 366 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1th1 h LEU 366 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1th1 h LEU 366 CO 0.00 0.27 -0.08 1.23 0.09 0.00 0.00 178.44 179.94 1th1 h GLY 367 N 1.43 0.00 2.00 0.83 0.00 -0.77 -2.53 103.07 104.03 1th1 h GLY 367 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1th1 h GLY 367 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.61 1th1 n LEU 368 N -3.54 0.75 -1.07 3.11 4.77 -1.08 -3.55 117.00 116.39 1th1 n LEU 368 Ca -0.02 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 1th1 n LEU 368 Cb 0.21 -0.37 0.21 0.00 -2.33 0.00 0.00 43.42 41.14 1th1 n LEU 368 CO 0.28 -0.23 0.68 1.41 -1.33 0.00 0.00 177.39 178.20 1th1 n HIS 369 N -2.22 0.52 0.77 -1.77 8.25 -0.95 -4.55 115.22 115.28 1th1 n HIS 369 Ca 0.05 -0.29 0.10 0.00 -0.26 0.00 0.00 57.72 57.31 1th1 n HIS 369 Cb 0.39 -0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.95 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 1.34 0.00 -0.46 2.41 4.77 -1.23 -2.50 117.00 121.32 1th1 n LEU 370 Ca 0.18 0.42 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 1th1 n LEU 370 Cb 0.56 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 1th1 n LEU 370 CO 0.14 -0.14 0.39 0.41 -1.33 0.00 0.00 177.39 176.86 1th1 n THR 371 N -1.42 0.00 -1.90 -5.08 -1.04 -1.26 -4.97 114.28 98.61 1th1 n THR 371 Ca 0.06 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.05 61.22 1th1 n THR 371 Cb 0.20 1.24 -0.00 0.00 -1.82 0.00 0.00 70.33 69.95 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 -1.32 6.39 0.27 8.00 2.15 -1.04 -4.94 116.67 126.18 1th1 s ASP 372 Ca 0.14 2.92 0.01 0.00 0.43 0.00 0.00 52.55 56.05 1th1 s ASP 372 Cb 0.11 -2.66 0.59 0.00 -0.30 0.00 0.00 42.92 40.66 1th1 s ASP 372 CO 0.23 -0.82 1.75 -0.65 -0.17 0.00 0.00 175.17 175.51 1th1 h PRO 373 N 2.99 0.59 -6.22 4.34 0.11 -1.96 -3.41 132.00 128.44 1th1 h PRO 373 Ca -0.50 -0.04 -0.56 0.00 0.11 0.00 0.00 66.00 65.01 1th1 h PRO 373 Cb 1.24 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1th1 h PRO 373 CO 0.64 0.39 0.83 -1.54 -0.21 0.00 0.00 178.00 178.11 1th1 s SER 374 N -5.39 6.98 0.40 -2.05 1.04 -1.26 -4.91 113.70 108.50 1th1 s SER 374 Ca -0.12 1.77 0.21 0.00 0.48 0.00 0.00 55.95 58.29 1th1 s SER 374 Cb 0.23 -2.55 0.72 0.00 0.10 0.00 0.00 66.02 64.52 1th1 s SER 374 CO 0.78 -0.69 1.74 -0.61 0.98 0.00 0.00 173.24 175.44 1th1 h GLN 375 N 7.93 0.00 -0.16 4.02 5.75 -2.00 -2.97 115.11 127.68 1th1 h GLN 375 Ca -0.30 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.11 1th1 h GLN 375 Cb 1.13 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.67 1th1 h GLN 375 CO 0.93 0.32 -0.32 0.07 -2.65 0.00 0.00 178.83 177.18 1th1 h ARG 376 N 0.00 0.31 0.01 1.69 0.11 -1.96 0.54 114.38 115.09 1th1 h ARG 376 Ca -0.00 -0.12 -0.19 0.00 0.10 0.00 0.00 59.98 59.76 1th1 h ARG 376 Cb 0.88 -0.02 0.02 0.00 1.11 0.00 0.00 29.97 31.96 1th1 h ARG 376 CO 0.04 0.60 -0.77 1.25 0.10 0.00 0.00 179.97 181.19 1th1 h LEU 377 N 0.27 0.65 -0.38 0.08 5.85 -1.92 -2.64 115.31 117.22 1th1 h LEU 377 Ca 0.04 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 57.96 1th1 h LEU 377 Cb 0.70 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1th1 h LEU 377 CO 0.05 1.34 0.14 0.58 -0.34 0.00 0.00 178.44 180.21 1th1 h VAL 378 N 0.04 1.20 -0.59 1.05 2.07 -1.36 -0.65 116.25 118.00 1th1 h VAL 378 Ca -0.10 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1th1 h VAL 378 Cb 1.47 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1th1 h VAL 378 CO 0.15 0.22 0.08 -0.61 0.02 0.00 0.00 177.57 177.43 1th1 h GLN 379 N 0.46 0.99 -0.04 1.57 5.75 -0.97 0.39 115.11 123.25 1th1 h GLN 379 Ca 0.12 -0.27 -0.12 0.00 -0.15 0.00 0.00 58.65 58.23 1th1 h GLN 379 Cb 0.21 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1th1 h GLN 379 CO -0.01 0.94 -0.52 -0.91 -2.65 0.00 0.00 178.83 175.68 1th1 h ASN 380 N 0.89 0.13 0.18 -0.69 2.35 -1.37 -0.56 115.58 116.51 1th1 h ASN 380 Ca 0.18 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 1th1 h ASN 380 Cb 0.44 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1th1 h ASN 380 CO 0.01 0.63 -0.66 0.00 -1.65 0.00 0.00 177.43 175.76 1th1 h LEU 382 N 0.32 0.32 -0.94 0.00 3.38 -0.58 -0.99 115.31 116.81 1th1 h LEU 382 Ca -0.02 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1th1 h LEU 382 Cb 1.22 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1th1 h LEU 382 CO 0.12 0.73 0.59 -0.50 0.09 0.00 0.00 178.44 179.47 1th1 h TRP 383 N -0.08 1.22 -0.20 1.13 6.55 -1.12 -0.23 115.95 123.21 1th1 h TRP 383 Ca 0.02 0.01 -0.07 0.00 0.95 0.00 0.00 58.89 59.80 1th1 h TRP 383 Cb 0.64 -0.41 -0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1th1 h TRP 383 CO 0.08 0.79 -0.16 1.15 -1.05 0.00 0.00 178.44 179.25 1th1 h THR 384 N 1.29 1.32 -0.30 1.49 2.02 -1.33 -2.19 112.91 115.21 1th1 h THR 384 Ca 0.34 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1th1 h THR 384 Cb -0.10 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1th1 h THR 384 CO -0.07 0.39 0.18 -0.07 0.37 0.00 0.00 175.52 176.32 1th1 h LEU 385 N 0.14 0.35 -0.16 2.58 3.38 -0.76 -1.45 115.31 119.40 1th1 h LEU 385 Ca 0.04 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1th1 h LEU 385 Cb 0.69 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1th1 h LEU 385 CO 0.04 0.27 -0.46 -0.09 0.09 0.00 0.00 178.44 178.29 1th1 h ARG 386 N 0.41 0.60 -0.33 1.13 2.43 -0.85 -0.81 114.38 116.96 1th1 h ARG 386 Ca 0.11 -0.43 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 1th1 h ARG 386 Cb -0.01 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1th1 h ARG 386 CO -0.02 1.05 -0.09 -0.91 -1.51 0.00 0.00 179.97 178.48 1th1 h ASN 387 N 0.26 0.53 1.44 -3.80 2.35 -1.03 -3.04 115.58 112.28 1th1 h ASN 387 Ca -0.01 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 1th1 h ASN 387 Cb 1.08 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 1th1 h ASN 387 CO 0.10 0.66 -0.58 -0.07 -1.65 0.00 0.00 177.43 175.90 1th1 h LEU 388 N 0.51 0.00 -1.99 1.61 3.38 -1.23 -3.39 115.31 114.21 1th1 h LEU 388 Ca 0.10 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1th1 h LEU 388 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1th1 h LEU 388 CO 0.03 0.48 0.49 0.77 0.09 0.00 0.00 178.44 180.30 1th1 h SER 389 N 0.00 0.00 0.00 -0.43 4.64 -1.02 -1.97 113.55 114.77 1th1 h SER 389 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1th1 h SER 389 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1th1 h SER 389 CO 0.06 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.12 1th1 n ASP 390 N -4.10 0.00 -0.61 4.97 5.75 -1.26 -3.00 116.55 118.29 1th1 n ASP 390 Ca 0.12 -1.13 0.02 0.00 -0.01 0.00 0.00 54.79 53.79 1th1 n ASP 390 Cb 0.73 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.85 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 -0.82 2.13 -1.15 2.12 0.00 -0.74 -4.81 120.51 117.24 1th1 n ALA 391 Ca 0.13 -1.46 0.09 0.00 0.00 0.00 0.00 53.44 52.20 1th1 n ALA 391 Cb 0.06 -0.52 0.13 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.11 2.24 0.30 0.00 0.00 -1.16 -4.78 120.51 117.00 1th1 n ALA 392 Ca 0.03 -2.50 0.19 0.00 0.00 0.00 0.00 53.44 51.17 1th1 n ALA 392 Cb 0.76 -0.39 0.96 0.00 0.00 0.00 0.00 19.45 20.78 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 0.58 0.14 -0.25 0.00 2.02 -1.87 -3.04 112.91 110.48 1th1 h THR 393 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1th1 h THR 393 Cb 1.03 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1th1 h THR 393 CO 0.00 0.02 0.00 0.29 0.37 0.00 0.00 175.52 176.20 1th1 n LYS 394 N -3.23 2.79 -2.99 6.66 5.02 -1.26 -4.78 118.16 120.38 1th1 n LYS 394 Ca -0.02 -2.53 -0.36 0.00 -2.02 0.00 0.00 58.31 53.39 1th1 n LYS 394 Cb 0.17 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 1th1 n LYS 394 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1th1 s GLN 395 N -2.20 4.34 0.50 1.97 -1.52 -1.15 -5.09 119.66 116.51 1th1 s GLN 395 Ca 0.34 1.02 0.07 0.00 -1.95 0.00 0.00 55.36 54.84 1th1 s GLN 395 Cb 0.26 -2.79 0.03 0.00 -0.22 0.00 0.00 33.01 30.28 1th1 s GLN 395 CO 0.10 0.32 0.50 -1.21 -0.25 0.00 0.00 175.29 174.75 1th1 s GLU 396 N -2.12 2.41 -1.49 2.91 0.41 -1.26 -4.68 118.70 114.87 1th1 s GLU 396 Ca 0.47 -1.71 -0.01 0.00 -0.41 0.00 0.00 54.97 53.31 1th1 s GLU 396 Cb -0.16 -2.37 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1th1 s GLU 396 CO 0.21 -0.50 0.13 0.41 -0.49 0.00 0.00 175.26 175.03 1th1 n GLY 397 N -1.80 -0.37 0.28 -1.39 0.00 -1.26 -4.91 105.19 95.74 1th1 n GLY 397 Ca 0.05 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.94 0.90 -0.30 1.61 2.81 -1.26 -4.55 117.12 113.38 1th1 n MET 398 Ca -0.18 -0.56 0.12 0.00 -1.81 0.00 0.00 57.70 55.26 1th1 n MET 398 Cb 0.65 -1.49 0.28 0.00 -0.71 0.00 0.00 33.22 31.95 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 1.37 0.45 -0.25 0.03 3.07 -1.98 -1.19 114.58 116.08 1th1 h GLU 399 Ca 0.00 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1th1 h GLU 399 Cb 0.54 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1th1 h GLU 399 CO 0.00 0.30 0.01 0.78 -1.40 0.00 0.00 179.01 178.70 1th1 h GLY 400 N 0.46 0.48 0.92 -3.84 0.00 -2.00 -2.72 103.07 96.36 1th1 h GLY 400 Ca 0.53 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1th1 h GLY 400 CO -0.48 0.31 0.11 -2.00 0.00 0.00 0.00 176.54 174.48 1th1 h LEU 401 N 0.23 0.31 -1.04 3.11 5.85 -1.68 -2.41 115.31 119.68 1th1 h LEU 401 Ca 0.07 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1th1 h LEU 401 Cb 0.39 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1th1 h LEU 401 CO 0.01 0.37 0.53 -0.07 -0.34 0.00 0.00 178.44 178.93 1th1 h LEU 402 N 0.24 1.05 -0.38 2.25 3.38 -1.25 -0.97 115.31 119.63 1th1 h LEU 402 Ca 0.08 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1th1 h LEU 402 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1th1 h LEU 402 CO -0.01 0.81 0.02 1.23 0.09 0.00 0.00 178.44 180.58 1th1 h GLY 403 N 1.22 0.71 1.22 0.83 0.00 -1.37 -2.54 103.07 103.14 1th1 h GLY 403 Ca 0.31 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1th1 h GLY 403 CO -0.06 0.47 -0.01 -0.84 0.00 0.00 0.00 176.54 176.10 1th1 h THR 404 N 0.49 1.26 -0.57 4.70 2.02 -1.08 -2.21 112.91 117.52 1th1 h THR 404 Ca 0.11 -1.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 1th1 h THR 404 Cb 0.43 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1th1 h THR 404 CO 0.02 0.39 0.01 -0.07 0.37 0.00 0.00 175.52 176.24 1th1 h LEU 405 N 0.86 0.95 -0.93 2.58 3.38 -1.07 0.32 115.31 121.41 1th1 h LEU 405 Ca 0.16 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1th1 h LEU 405 Cb 0.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1th1 h LEU 405 CO 0.03 1.00 -0.17 0.58 0.09 0.00 0.00 178.44 179.96 1th1 h VAL 406 N 0.90 1.25 -0.00 1.22 2.07 -1.28 -2.07 116.25 118.35 1th1 h VAL 406 Ca 0.17 -1.17 -0.14 0.00 0.82 0.00 0.00 66.70 66.38 1th1 h VAL 406 Cb 0.51 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1th1 h VAL 406 CO 0.02 0.38 -0.65 -0.61 0.02 0.00 0.00 177.57 176.74 1th1 h GLN 407 N 0.53 0.00 0.00 1.57 4.15 -1.00 -3.06 115.11 117.31 1th1 h GLN 407 Ca 0.09 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1th1 h GLN 407 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1th1 h GLN 407 CO 0.04 0.65 0.00 -0.07 -1.93 0.00 0.00 178.83 177.52 1th1 h LEU 408 N 0.00 0.00 -1.32 -2.39 3.38 -0.23 -3.04 115.31 111.70 1th1 h LEU 408 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1th1 h LEU 408 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1th1 h LEU 408 CO 0.08 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.54 1th1 h LEU 409 N 0.00 0.00 -1.77 1.67 3.38 -1.37 -2.61 115.31 114.61 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 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 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 -0.23 1.15 3.84 0.83 0.00 -1.15 -4.85 105.19 104.79 1th1 n GLY 410 Ca 0.01 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.29 6.14 0.39 1.61 1.04 -0.98 -4.96 113.70 115.65 1th1 s SER 411 Ca 0.35 1.56 0.28 0.00 0.48 0.00 0.00 55.95 58.62 1th1 s SER 411 Cb 0.19 -2.50 1.07 0.00 0.10 0.00 0.00 66.02 64.88 1th1 s SER 411 CO 0.26 -0.92 1.82 -2.24 0.98 0.00 0.00 173.24 173.14 1th1 h ASP 412 N 0.11 0.00 -3.55 7.02 2.03 -1.93 -3.42 116.42 116.68 1th1 h ASP 412 Ca -0.45 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.23 1th1 h ASP 412 Cb 1.20 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.57 1th1 h ASP 412 CO 0.60 0.00 0.42 -0.62 -1.03 0.00 0.00 179.24 178.62 1th1 s ASP 413 N -5.07 6.41 0.54 4.15 2.15 -1.26 -4.93 116.67 118.66 1th1 s ASP 413 Ca 0.04 -0.14 0.32 0.00 0.43 0.00 0.00 52.55 53.20 1th1 s ASP 413 Cb 0.09 -2.40 1.48 0.00 -0.30 0.00 0.00 42.92 41.79 1th1 s ASP 413 CO 0.50 -0.99 2.04 -0.29 -0.17 0.00 0.00 175.17 176.26 1th1 h ILE 414 N 6.00 0.28 -0.04 4.11 6.09 -1.99 -2.57 117.51 129.39 1th1 h ILE 414 Ca -0.25 -0.55 -0.18 0.00 -1.37 0.00 0.00 64.86 62.51 1th1 h ILE 414 Cb 1.08 1.43 -0.01 0.00 0.47 0.00 0.00 36.82 39.79 1th1 h ILE 414 CO 1.00 0.08 -0.77 0.78 -3.07 0.00 0.00 178.15 176.17 1th1 h ASN 415 N 0.00 0.34 -0.27 2.19 2.35 -1.96 -1.80 115.58 116.43 1th1 h ASN 415 Ca -0.00 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.38 1th1 h ASN 415 Cb 0.42 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1th1 h ASN 415 CO 0.01 0.98 -0.35 0.58 -1.65 0.00 0.00 177.43 177.00 1th1 h VAL 416 N 0.18 1.30 -0.37 2.81 2.07 -1.84 -2.71 116.25 117.70 1th1 h VAL 416 Ca -0.03 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1th1 h VAL 416 Cb 1.35 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1th1 h VAL 416 CO 0.12 0.49 0.20 0.58 0.02 0.00 0.00 177.57 178.98 1th1 h VAL 417 N 0.44 1.15 -0.93 2.57 2.07 -1.42 -1.08 116.25 119.05 1th1 h VAL 417 Ca 0.03 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1th1 h VAL 417 Cb 0.94 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1th1 h VAL 417 CO 0.08 0.15 0.62 0.74 0.02 0.00 0.00 177.57 179.18 1th1 h THR 418 N 0.46 1.22 -0.04 2.57 2.02 -1.32 -0.39 112.91 117.45 1th1 h THR 418 Ca 0.13 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1th1 h THR 418 Cb 0.06 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1th1 h THR 418 CO -0.02 0.23 -0.02 0.00 0.37 0.00 0.00 175.52 176.08 1th1 h ALA 420 N 0.61 1.66 -0.46 0.00 0.00 -0.79 0.17 119.26 120.45 1th1 h ALA 420 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1th1 h ALA 420 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1th1 h ALA 420 CO 0.01 0.17 -0.09 0.00 0.00 0.00 0.00 179.25 179.34 1th1 h ALA 421 N 1.57 0.63 -0.47 0.00 0.00 -0.97 0.72 119.26 120.73 1th1 h ALA 421 Ca 0.39 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1th1 h ALA 421 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1th1 h ALA 421 CO -0.16 0.51 0.12 0.78 0.00 0.00 0.00 179.25 180.49 1th1 h GLY 422 N 0.71 0.82 0.97 0.00 0.00 -0.36 -0.81 103.07 104.40 1th1 h GLY 422 Ca 0.12 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1th1 h GLY 422 CO 0.04 0.48 -0.05 -2.22 0.00 0.00 0.00 176.54 174.79 1th1 h ILE 423 N 0.64 1.27 -0.02 2.60 2.04 -0.91 -3.01 117.51 120.12 1th1 h ILE 423 Ca 0.15 -1.10 -0.07 0.00 1.00 0.00 0.00 64.86 64.84 1th1 h ILE 423 Cb 0.33 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1th1 h ILE 423 CO 0.00 0.37 -0.30 -0.07 0.00 0.00 0.00 178.15 178.15 1th1 h LEU 424 N 0.57 0.04 -0.14 1.44 3.38 -0.65 -1.33 115.31 118.62 1th1 h LEU 424 Ca 0.11 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1th1 h LEU 424 Cb 0.55 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1th1 h LEU 424 CO 0.03 0.34 -0.62 0.77 0.09 0.00 0.00 178.44 179.05 1th1 h SER 425 N 0.03 0.79 -0.38 -0.43 4.64 -1.03 -2.85 113.55 114.33 1th1 h SER 425 Ca 0.00 -0.62 -0.15 0.00 -0.47 0.00 0.00 61.79 60.55 1th1 h SER 425 Cb 0.55 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1th1 h SER 425 CO 0.04 1.28 -0.34 0.78 -0.87 0.00 0.00 176.83 177.72 1th1 h ASN 426 N 0.35 0.97 1.01 4.97 2.35 -1.40 -2.70 115.58 121.13 1th1 h ASN 426 Ca -0.04 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 1th1 h ASN 426 Cb 1.25 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1th1 h ASN 426 CO 0.13 1.21 0.00 0.18 -1.65 0.00 0.00 177.43 177.30 1th1 n LEU 427 N -4.07 0.60 0.02 1.61 4.77 -0.52 -2.49 117.00 116.92 1th1 n LEU 427 Ca -0.02 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1th1 n LEU 427 Cb 0.52 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1th1 n LEU 427 CO 0.48 -0.34 -0.14 0.41 -1.33 0.00 0.00 177.39 176.47 1th1 n THR 428 N -2.11 0.13 -2.13 -5.08 -1.04 -1.08 -4.73 114.28 98.25 1th1 n THR 428 Ca 0.04 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 1th1 n THR 428 Cb 0.31 0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 69.07 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 6.73 -4.14 -3.88 0.00 3.02 -1.26 -4.93 115.26 110.79 1th1 n ASN 430 Ca 0.16 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.70 1th1 n ASN 430 Cb 0.43 -3.69 -0.16 0.00 -0.61 0.00 0.00 39.78 35.76 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 -2.19 3.83 0.28 6.41 3.84 -1.24 -5.02 114.94 120.85 1th1 s ASN 431 Ca 0.00 -1.31 0.03 0.00 0.21 0.00 0.00 52.86 51.79 1th1 s ASN 431 Cb 0.00 -1.07 0.41 0.00 -0.55 0.00 0.00 41.25 40.04 1th1 s ASN 431 CO 0.00 -0.30 1.71 0.10 -2.79 0.00 0.00 177.10 175.83 1th1 h TYR 432 N 7.99 0.50 -0.42 0.43 -0.00 -1.88 -2.35 116.97 121.23 1th1 h TYR 432 Ca -0.15 -0.11 -0.12 0.00 0.00 0.00 0.00 58.73 58.34 1th1 h TYR 432 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 37.66 1th1 h TYR 432 CO 0.44 0.69 -0.22 0.87 -0.00 0.00 0.00 178.16 179.93 1th1 h LYS 433 N 0.39 0.85 -0.10 0.10 1.57 -1.97 -1.92 116.57 115.49 1th1 h LYS 433 Ca 0.05 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.32 1th1 h LYS 433 Cb 0.71 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1th1 h LYS 433 CO 0.05 0.99 -0.63 -0.91 -0.57 0.00 0.00 179.45 178.38 1th1 h ASN 434 N 0.74 0.42 -0.37 0.86 2.35 -1.85 -2.28 115.58 115.45 1th1 h ASN 434 Ca 0.10 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1th1 h ASN 434 Cb 0.76 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1th1 h ASN 434 CO 0.06 0.95 0.07 0.11 -1.65 0.00 0.00 177.43 176.97 1th1 h LYS 435 N 0.27 0.61 -0.21 0.81 1.57 -1.25 -2.09 116.57 116.28 1th1 h LYS 435 Ca -0.01 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1th1 h LYS 435 Cb 1.17 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1th1 h LYS 435 CO 0.11 0.66 -0.34 0.52 -0.57 0.00 0.00 179.45 179.83 1th1 h MET 436 N 0.46 0.45 -0.20 3.15 2.86 -1.32 -2.66 114.93 117.66 1th1 h MET 436 Ca 0.12 -0.20 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 1th1 h MET 436 Cb 0.34 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1th1 h MET 436 CO 0.00 0.73 -0.62 1.98 1.06 0.00 0.00 176.91 180.07 1th1 h MET 437 N 0.38 0.69 -0.25 1.72 4.05 -1.29 -2.34 114.93 117.90 1th1 h MET 437 Ca 0.04 -0.47 -0.12 0.00 -0.28 0.00 0.00 59.70 58.87 1th1 h MET 437 Cb 0.78 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1th1 h MET 437 CO 0.06 1.09 -0.34 0.28 0.23 0.00 0.00 176.91 178.24 1th1 h VAL 438 N 0.51 1.29 -0.04 -5.77 2.07 -1.31 -2.90 116.25 110.10 1th1 h VAL 438 Ca -0.01 -1.45 -0.15 0.00 0.82 0.00 0.00 66.70 65.91 1th1 h VAL 438 Cb 1.20 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1th1 h VAL 438 CO 0.12 0.46 -0.65 0.00 0.02 0.00 0.00 177.57 177.52 1th1 h GLN 440 N 0.11 0.00 -0.50 0.00 4.20 -1.22 -3.12 115.11 114.59 1th1 h GLN 440 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1th1 h GLN 440 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1th1 h GLN 440 CO 0.10 0.26 0.00 1.33 -0.67 0.00 0.00 178.83 179.84 1th1 n VAL 441 N -3.51 2.55 -2.05 -0.54 0.24 -1.17 -4.93 118.33 108.92 1th1 n VAL 441 Ca -0.00 -1.51 0.00 0.00 -2.04 0.00 0.00 64.34 60.78 1th1 n VAL 441 Cb 0.42 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 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 0.37 0.45 0.35 7.63 0.00 -1.18 -4.94 105.19 107.87 1th1 n GLY 442 Ca 0.26 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 1.05 0.87 -0.02 0.00 -1.14 -2.69 103.07 101.13 1th1 h GLY 443 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1th1 h GLY 443 CO 0.00 0.33 0.06 -2.22 0.00 0.00 0.00 176.54 174.71 1th1 h ILE 444 N 0.94 1.20 -0.24 2.60 1.08 -1.86 -0.62 117.51 120.61 1th1 h ILE 444 Ca 0.29 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1th1 h ILE 444 Cb 0.00 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1th1 h ILE 444 CO -0.08 0.20 0.12 -0.08 -0.69 0.00 0.00 178.15 177.62 1th1 h GLU 445 N 0.16 0.34 -0.66 2.37 4.81 -1.86 -0.88 114.58 118.86 1th1 h GLU 445 Ca 0.07 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1th1 h GLU 445 Cb 0.25 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1th1 h GLU 445 CO -0.00 0.34 0.43 0.00 -0.73 0.00 0.00 179.01 179.05 1th1 h ALA 446 N 0.99 0.85 0.00 2.92 0.00 -1.44 -0.60 119.26 121.98 1th1 h ALA 446 Ca 0.08 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1th1 h ALA 446 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1th1 h ALA 446 CO -0.01 0.23 -0.45 -0.07 0.00 0.00 0.00 179.25 178.95 1th1 h LEU 447 N 0.86 0.00 -0.03 0.00 3.38 -0.92 -1.97 115.31 116.63 1th1 h LEU 447 Ca 0.25 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.96 1th1 h LEU 447 Cb -0.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.72 1th1 h LEU 447 CO -0.08 0.45 -1.01 0.58 0.09 0.00 0.00 178.44 178.47 1th1 h VAL 448 N 0.00 1.28 -0.08 1.22 2.07 -0.64 -2.73 116.25 117.37 1th1 h VAL 448 Ca -0.00 -2.22 -0.06 0.00 0.82 0.00 0.00 66.70 65.23 1th1 h VAL 448 Cb 1.00 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1th1 h VAL 448 CO 0.06 0.69 -0.21 0.03 0.02 0.00 0.00 177.57 178.16 1th1 h ARG 449 N 0.41 0.13 -0.28 1.57 3.08 -0.98 -1.56 114.38 116.75 1th1 h ARG 449 Ca -0.12 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 1th1 h ARG 449 Cb 1.66 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.68 1th1 h ARG 449 CO 0.20 0.34 -0.03 1.15 -1.07 0.00 0.00 179.97 180.56 1th1 h THR 450 N 0.13 1.27 -0.15 2.04 2.02 -1.26 0.16 112.91 117.11 1th1 h THR 450 Ca 0.02 -1.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.12 1th1 h THR 450 Cb 0.44 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1th1 h THR 450 CO 0.03 0.32 -0.29 0.58 0.37 0.00 0.00 175.52 176.53 1th1 h VAL 451 N 0.28 1.26 -0.10 3.16 2.07 -1.15 -1.04 116.25 120.74 1th1 h VAL 451 Ca 0.08 -1.23 -0.19 0.00 0.82 0.00 0.00 66.70 66.18 1th1 h VAL 451 Cb 0.48 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1th1 h VAL 451 CO 0.02 0.38 -0.67 -0.07 0.02 0.00 0.00 177.57 177.25 1th1 h LEU 452 N 0.25 0.75 -0.94 2.57 4.07 -1.08 -3.16 115.31 117.78 1th1 h LEU 452 Ca 0.04 -0.66 -0.09 0.00 0.08 0.00 0.00 57.88 57.24 1th1 h LEU 452 Cb 0.64 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1th1 h LEU 452 CO 0.05 1.30 -0.45 0.03 -1.08 0.00 0.00 178.44 178.29 1th1 h ARG 453 N 0.27 0.00 -0.06 1.13 3.08 -0.47 -3.33 114.38 115.00 1th1 h ARG 453 Ca -0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1th1 h ARG 453 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 1th1 h ARG 453 CO 0.14 0.45 -0.08 0.00 -1.07 0.00 0.00 179.97 179.40 1th1 h ALA 454 N 1.55 0.09 -0.32 0.04 0.00 -1.22 -3.49 119.26 115.91 1th1 h ALA 454 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1th1 h ALA 454 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1th1 h ALA 454 CO 0.06 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1th1 n GLY 455 N 0.35 1.43 0.00 0.00 0.00 -1.20 -3.12 105.19 102.64 1th1 n GLY 455 Ca -0.08 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 6.52 0.00 -4.56 1.61 5.68 -1.26 -4.73 116.55 119.81 1th1 n ASP 456 Ca 0.00 -0.74 -0.36 0.00 -0.50 0.00 0.00 54.79 53.19 1th1 n ASP 456 Cb 0.00 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 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 -2.10 3.08 0.45 0.11 1.81 -1.18 -4.87 118.95 116.25 1th1 s ARG 457 Ca 0.39 -0.51 0.31 0.00 -1.72 0.00 0.00 55.73 54.20 1th1 s ARG 457 Cb 0.19 -4.98 1.54 0.00 -0.45 0.00 0.00 34.95 31.25 1th1 s ARG 457 CO 0.34 -2.65 1.94 0.93 -0.68 0.00 0.00 175.30 175.18 1th1 h GLU 458 N 10.94 0.00 0.00 3.54 5.08 -1.92 -1.53 114.58 130.68 1th1 h GLU 458 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1th1 h GLU 458 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1th1 h GLU 458 CO 1.31 0.00 0.00 0.38 -1.00 0.00 0.00 179.01 179.70 1th1 h ASP 459 N 0.00 0.00 0.00 1.42 2.03 -1.99 -1.71 116.42 116.16 1th1 h ASP 459 Ca 0.00 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.00 1th1 h ASP 459 Cb 0.17 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.61 1th1 h ASP 459 CO 0.00 0.00 -2.15 -0.38 -1.03 0.00 0.00 179.24 175.68 1th1 n ILE 460 N -2.66 1.15 -0.09 4.15 5.41 -0.92 -4.59 119.36 121.82 1th1 n ILE 460 Ca 0.05 -0.49 -0.13 0.00 1.00 0.00 0.00 62.75 63.17 1th1 n ILE 460 Cb 0.46 -1.10 -0.04 0.00 -0.71 0.00 0.00 39.64 38.25 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 0.00 1.30 -0.02 1.39 2.02 -1.34 -3.00 112.91 113.26 1th1 h THR 461 Ca -0.45 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1th1 h THR 461 Cb 1.76 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1th1 h THR 461 CO -0.05 0.46 0.01 -0.08 0.37 0.00 0.00 175.52 176.23 1th1 h GLU 462 N 0.43 0.03 -0.07 6.66 4.81 -1.57 0.05 114.58 124.91 1th1 h GLU 462 Ca 0.05 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1th1 h GLU 462 Cb 0.84 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1th1 h GLU 462 CO 0.07 0.03 -0.45 -1.00 -0.73 0.00 0.00 179.01 176.93 1th1 h PRO 463 N 0.02 0.17 -0.51 0.92 0.13 -1.81 -0.77 132.00 130.15 1th1 h PRO 463 Ca 0.01 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 1th1 h PRO 463 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1th1 h PRO 463 CO -0.00 0.59 -0.04 0.00 -0.23 0.00 0.00 178.00 178.31 1th1 h ALA 464 N 1.40 0.69 -0.09 -0.56 0.00 -1.36 0.61 119.26 119.95 1th1 h ALA 464 Ca 0.01 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 1th1 h ALA 464 Cb 0.85 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1th1 h ALA 464 CO 0.07 0.54 -0.72 0.82 0.00 0.00 0.00 179.25 179.96 1th1 h ILE 465 N 0.79 1.36 -0.39 0.00 1.08 -0.88 -2.02 117.51 117.44 1th1 h ILE 465 Ca 0.14 -2.09 -0.11 0.00 -0.39 0.00 0.00 64.86 62.41 1th1 h ILE 465 Cb 0.58 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.39 1th1 h ILE 465 CO 0.03 0.63 -0.19 0.00 -0.69 0.00 0.00 178.15 177.94 1th1 h ALA 467 N 1.12 0.69 -0.29 0.00 0.00 -0.73 -1.74 119.26 118.30 1th1 h ALA 467 Ca 0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1th1 h ALA 467 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1th1 h ALA 467 CO 0.05 0.49 -0.13 -0.07 0.00 0.00 0.00 179.25 179.59 1th1 h LEU 468 N 0.76 0.49 -0.32 0.00 3.38 -1.06 -1.48 115.31 117.07 1th1 h LEU 468 Ca 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1th1 h LEU 468 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1th1 h LEU 468 CO 0.02 0.65 -0.03 -0.09 0.09 0.00 0.00 178.44 179.09 1th1 h ARG 469 N 0.46 0.59 -0.52 1.13 2.43 -0.52 -2.88 114.38 115.07 1th1 h ARG 469 Ca 0.08 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1th1 h ARG 469 Cb 0.51 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1th1 h ARG 469 CO 0.03 0.74 0.13 0.45 -1.51 0.00 0.00 179.97 179.80 1th1 h HIS 470 N 0.38 0.88 0.00 2.20 3.86 -1.05 -2.84 115.15 118.58 1th1 h HIS 470 Ca 0.09 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1th1 h HIS 470 Cb 0.49 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1th1 h HIS 470 CO 0.04 0.77 0.00 1.28 0.86 0.00 0.00 177.93 180.89 1th1 n LEU 471 N -4.43 0.00 -0.45 2.43 4.77 -0.58 -2.86 117.00 115.88 1th1 n LEU 471 Ca 0.02 0.17 0.05 0.00 -0.03 0.00 0.00 56.01 56.21 1th1 n LEU 471 Cb 0.23 -0.17 0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1th1 n LEU 471 CO 0.40 -0.07 0.60 0.41 -1.33 0.00 0.00 177.39 177.40 1th1 n THR 472 N -1.17 1.23 -3.89 -5.08 -1.04 -1.07 -4.61 114.28 98.64 1th1 n THR 472 Ca 0.11 -1.20 -0.09 0.00 -2.04 0.00 0.00 64.05 60.84 1th1 n THR 472 Cb 0.12 0.35 -0.08 0.00 -1.82 0.00 0.00 70.33 68.90 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 -1.25 0.16 -1.61 8.00 1.04 -1.13 -4.81 113.70 114.09 1th1 s SER 473 Ca 0.19 -0.72 -0.09 0.00 0.48 0.00 0.00 55.95 55.82 1th1 s SER 473 Cb 0.12 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.66 1th1 s SER 473 CO 0.09 -0.73 0.41 0.54 0.98 0.00 0.00 173.24 174.54 1th1 n ARG 474 N -0.05 -2.06 -3.51 4.02 1.74 -1.26 -4.90 116.66 110.63 1th1 n ARG 474 Ca -0.14 0.25 -0.17 0.00 -0.77 0.00 0.00 57.85 57.02 1th1 n ARG 474 Cb 0.62 -4.40 -0.05 0.00 -1.02 0.00 0.00 32.46 27.61 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 -3.81 -0.62 0.43 -1.55 -3.43 -1.26 -4.80 115.29 100.26 1th1 s HIS 475 Ca 0.33 0.94 0.23 0.00 -0.80 0.00 0.00 55.06 55.76 1th1 s HIS 475 Cb -0.18 0.43 1.23 0.00 -1.43 0.00 0.00 32.58 32.63 1th1 s HIS 475 CO 0.96 -0.65 1.77 0.37 -2.00 0.00 0.00 174.74 175.19 1th1 h GLN 476 N 2.82 0.27 -0.63 -0.38 4.15 -1.94 -0.79 115.11 118.61 1th1 h GLN 476 Ca -0.29 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1th1 h GLN 476 Cb 1.18 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1th1 h GLN 476 CO 0.39 0.18 0.00 0.39 -1.93 0.00 0.00 178.83 177.86 1th1 n GLU 477 N -4.53 4.26 -0.07 1.69 -0.58 -1.26 -4.53 120.64 115.62 1th1 n GLU 477 Ca 0.26 -2.96 -0.02 0.00 -0.42 0.00 0.00 57.16 54.01 1th1 n GLU 477 Cb 0.99 -2.07 0.22 0.00 -0.57 0.00 0.00 31.44 30.01 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 4.07 1.22 -0.26 0.62 0.00 -1.39 -2.23 119.26 121.29 1th1 h ALA 478 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1th1 h ALA 478 Cb 1.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1th1 h ALA 478 CO 0.36 0.52 -0.34 1.49 0.00 0.00 0.00 179.25 181.27 1th1 h GLU 479 N 0.67 0.57 -0.53 0.00 4.81 -1.81 -1.05 114.58 117.24 1th1 h GLU 479 Ca 0.14 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1th1 h GLU 479 Cb 0.37 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1th1 h GLU 479 CO 0.01 0.83 -0.08 1.98 -0.73 0.00 0.00 179.01 181.03 1th1 h MET 480 N 0.48 0.96 -0.44 1.92 4.05 -1.81 -2.64 114.93 117.46 1th1 h MET 480 Ca 0.05 -0.33 -0.12 0.00 -0.28 0.00 0.00 59.70 59.02 1th1 h MET 480 Cb 0.82 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 1th1 h MET 480 CO 0.07 1.00 -0.22 0.00 0.23 0.00 0.00 176.91 177.99 1th1 h ALA 481 N 1.03 0.79 -0.79 0.39 0.00 -1.14 -1.48 119.26 118.06 1th1 h ALA 481 Ca 0.14 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1th1 h ALA 481 Cb 0.62 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1th1 h ALA 481 CO 0.04 0.65 0.51 1.96 0.00 0.00 0.00 179.25 182.41 1th1 h GLN 482 N 0.76 0.96 -0.08 0.00 4.20 -0.94 -2.51 115.11 117.51 1th1 h GLN 482 Ca 0.10 -0.06 -0.23 0.00 0.06 0.00 0.00 58.65 58.52 1th1 h GLN 482 Cb 0.76 -0.22 0.02 0.00 0.30 0.00 0.00 27.48 28.34 1th1 h GLN 482 CO 0.06 0.63 -0.87 -0.91 -0.67 0.00 0.00 178.83 177.08 1th1 h ASN 483 N 0.99 0.90 -0.25 1.46 2.35 -1.36 -3.31 115.58 116.35 1th1 h ASN 483 Ca 0.32 -0.68 -0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1th1 h ASN 483 Cb 0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1th1 h ASN 483 CO -0.11 1.45 0.16 0.00 -1.65 0.00 0.00 177.43 177.28 1th1 h ALA 484 N 0.47 1.78 -0.60 -0.83 0.00 -0.91 -1.36 119.26 117.81 1th1 h ALA 484 Ca -0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1th1 h ALA 484 Cb 1.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1th1 h ALA 484 CO 0.17 0.19 0.13 0.28 0.00 0.00 0.00 179.25 180.03 1th1 h VAL 485 N 0.36 1.24 -0.10 0.00 2.07 -1.54 -1.45 116.25 116.84 1th1 h VAL 485 Ca 0.10 -0.91 -0.18 0.00 0.82 0.00 0.00 66.70 66.53 1th1 h VAL 485 Cb -0.02 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1th1 h VAL 485 CO -0.02 0.34 -0.63 -0.09 0.02 0.00 0.00 177.57 177.19 1th1 h ARG 486 N 0.91 0.60 0.00 1.57 2.43 -1.56 0.17 114.38 118.49 1th1 h ARG 486 Ca 0.19 -0.52 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1th1 h ARG 486 Cb 0.35 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1th1 h ARG 486 CO 0.00 1.14 -0.10 -0.07 -1.51 0.00 0.00 179.97 179.43 1th1 h LEU 487 N 0.23 0.00 -3.22 3.80 3.38 -1.05 -1.81 115.31 116.65 1th1 h LEU 487 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1th1 h LEU 487 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1th1 h LEU 487 CO 0.13 0.10 0.00 1.41 0.09 0.00 0.00 178.44 180.17 1th1 n HIS 488 N -3.54 1.47 -3.54 1.13 8.25 -0.56 -4.96 115.22 113.47 1th1 n HIS 488 Ca -0.02 -0.66 -0.19 0.00 -0.26 0.00 0.00 57.72 56.60 1th1 n HIS 488 Cb 0.23 -0.29 0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 0.80 -2.14 0.51 4.41 4.02 -0.68 -4.93 117.16 119.15 1th1 n TYR 489 Ca 0.25 0.91 0.11 0.00 -0.01 0.00 0.00 57.90 59.15 1th1 n TYR 489 Cb 0.92 -4.83 -0.14 0.00 -0.02 0.00 0.00 39.34 35.27 1th1 n TYR 489 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1th1 n GLY 490 N -1.34 -1.01 0.31 2.72 0.00 0.58 -4.47 105.19 101.98 1th1 n GLY 490 Ca -0.27 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 1th1 n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1th1 h LEU 491 N 0.00 0.92 -0.97 0.99 3.38 -1.86 -1.79 115.31 115.99 1th1 h LEU 491 Ca 0.00 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1th1 h LEU 491 Cb 0.75 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1th1 h LEU 491 CO 0.00 0.93 -0.02 -0.65 0.09 0.00 0.00 178.44 178.78 1th1 h PRO 492 N 0.91 0.73 -0.01 1.13 0.11 -1.94 -2.29 132.00 130.63 1th1 h PRO 492 Ca 0.18 -0.20 -0.21 0.00 0.11 0.00 0.00 66.00 65.89 1th1 h PRO 492 Cb 0.41 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1th1 h PRO 492 CO 0.01 0.75 -0.89 -0.24 -0.21 0.00 0.00 178.00 177.42 1th1 h VAL 493 N 0.68 1.42 -0.57 3.15 3.04 -1.80 -2.27 116.25 119.89 1th1 h VAL 493 Ca 0.13 -2.44 -0.04 0.00 -1.01 0.00 0.00 66.70 63.34 1th1 h VAL 493 Cb 0.45 2.38 -0.02 0.00 -2.01 0.00 0.00 31.29 32.09 1th1 h VAL 493 CO 0.02 0.72 0.20 0.58 -1.01 0.00 0.00 177.57 178.08 1th1 h VAL 494 N 0.21 1.23 -0.15 1.51 2.07 -1.18 -2.17 116.25 117.77 1th1 h VAL 494 Ca -0.06 -0.78 -0.17 0.00 0.82 0.00 0.00 66.70 66.51 1th1 h VAL 494 Cb 1.52 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1th1 h VAL 494 CO 0.15 0.29 -0.61 0.58 0.02 0.00 0.00 177.57 178.01 1th1 h VAL 495 N 0.80 1.34 0.00 2.57 2.07 -1.44 -3.04 116.25 118.55 1th1 h VAL 495 Ca 0.19 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 1th1 h VAL 495 Cb 0.26 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1th1 h VAL 495 CO -0.01 0.58 -0.05 0.50 0.02 0.00 0.00 177.57 178.61 1th1 h LYS 496 N 0.38 0.00 0.00 1.57 3.64 -1.05 -2.16 116.57 118.96 1th1 h LYS 496 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1th1 h LYS 496 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1th1 h LYS 496 CO 0.11 0.05 0.00 1.28 -2.27 0.00 0.00 179.45 178.62 1th1 n LEU 497 N -4.43 0.00 0.11 5.20 4.77 -0.85 -2.57 117.00 119.22 1th1 n LEU 497 Ca -0.03 0.17 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1th1 n LEU 497 Cb 0.13 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1th1 n LEU 497 CO 0.34 -0.03 0.23 -0.07 -1.33 0.00 0.00 177.39 176.52 1th1 h LEU 498 N 0.00 0.00-10.12 2.23 3.38 -1.53 -3.42 115.31 105.86 1th1 h LEU 498 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1th1 h LEU 498 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1th1 h LEU 498 CO 0.00 0.48 0.10 -1.00 0.09 0.00 0.00 178.44 178.11 1th1 s HIS 499 N -2.98 3.45 0.96 1.13 3.76 -1.06 -4.98 115.29 115.57 1th1 s HIS 499 Ca 0.02 1.06 -0.11 0.00 -0.15 0.00 0.00 55.06 55.88 1th1 s HIS 499 Cb 0.08 -2.44 0.17 0.00 1.11 0.00 0.00 32.58 31.49 1th1 s HIS 499 CO 0.77 -0.04 1.10 -1.25 -0.85 0.00 0.00 174.74 174.47 1th1 s PRO 500 N -3.62 0.70 0.00 8.40 0.04 -1.26 -3.53 135.00 135.73 1th1 s PRO 500 Ca 0.51 1.22 0.06 0.00 0.04 0.00 0.00 61.00 62.83 1th1 s PRO 500 Cb -0.10 -1.71 0.36 0.00 0.04 0.00 0.00 34.50 33.08 1th1 s PRO 500 CO 0.28 -2.74 0.76 -0.35 0.04 0.00 0.00 177.00 174.99 1th1 n PRO 501 N -4.28 0.35 -2.07 0.56 -0.04 -1.26 -5.07 135.00 123.20 1th1 n PRO 501 Ca 0.09 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.13 1th1 n PRO 501 Cb 0.53 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.84 6.72 0.80 3.54 1.04 -1.23 -5.03 113.70 117.70 1th1 s SER 502 Ca 0.09 2.59 -0.10 0.00 0.48 0.00 0.00 55.95 59.01 1th1 s SER 502 Cb 0.04 -2.62 0.10 0.00 0.10 0.00 0.00 66.02 63.64 1th1 s SER 502 CO 0.07 -0.66 1.14 -1.00 0.98 0.00 0.00 173.24 173.77 1th1 s HIS 503 N 0.07 2.58 0.28 5.02 3.76 -1.26 -4.90 115.29 120.84 1th1 s HIS 503 Ca 0.59 0.49 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 1th1 s HIS 503 Cb -0.40 -3.49 0.52 0.00 1.11 0.00 0.00 32.58 30.32 1th1 s HIS 503 CO 0.41 -1.82 1.86 -1.49 -0.85 0.00 0.00 174.74 172.85 1th1 h TRP 504 N -0.98 1.15 -0.32 1.40 4.06 -1.90 -2.78 115.95 116.58 1th1 h TRP 504 Ca -0.44 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.47 1th1 h TRP 504 Cb 1.30 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 1th1 h TRP 504 CO -0.01 0.50 -0.09 -1.00 -3.56 0.00 0.00 178.44 174.29 1th1 h PRO 505 N 1.04 0.53 -0.20 0.49 0.13 -1.92 -1.13 132.00 130.95 1th1 h PRO 505 Ca 0.47 -0.14 -0.17 0.00 -0.87 0.00 0.00 66.00 65.29 1th1 h PRO 505 Cb 0.39 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 1th1 h PRO 505 CO -0.23 0.62 -0.58 1.25 -0.23 0.00 0.00 178.00 178.83 1th1 h LEU 506 N 0.49 0.72 -0.39 1.56 5.85 -1.92 -2.54 115.31 119.09 1th1 h LEU 506 Ca 0.10 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1th1 h LEU 506 Cb 0.45 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1th1 h LEU 506 CO 0.02 1.14 -0.00 0.40 -0.34 0.00 0.00 178.44 179.67 1th1 h ILE 507 N 0.49 1.26 -0.94 4.05 2.04 -1.29 -0.36 117.51 122.76 1th1 h ILE 507 Ca 0.00 -1.00 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1th1 h ILE 507 Cb 1.15 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1th1 h ILE 507 CO 0.11 0.34 0.62 0.50 0.00 0.00 0.00 178.15 179.72 1th1 h LYS 508 N 0.52 1.19 -0.30 2.37 3.64 -1.15 0.78 116.57 123.61 1th1 h LYS 508 Ca 0.11 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 1th1 h LYS 508 Cb 0.47 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1th1 h LYS 508 CO 0.02 0.78 -0.54 0.00 -2.27 0.00 0.00 179.45 177.45 1th1 h ALA 509 N 1.37 0.47 -0.29 5.00 0.00 -1.24 -2.61 119.26 121.96 1th1 h ALA 509 Ca 0.36 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1th1 h ALA 509 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1th1 h ALA 509 CO -0.10 0.68 -0.10 1.15 0.00 0.00 0.00 179.25 180.87 1th1 h THR 510 N 0.69 1.29 -0.65 0.00 2.02 -0.50 -1.59 112.91 114.16 1th1 h THR 510 Ca 0.02 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.04 1th1 h THR 510 Cb 1.15 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 1th1 h THR 510 CO 0.12 0.37 0.42 0.58 0.37 0.00 0.00 175.52 177.39 1th1 h VAL 511 N 0.33 1.14 -0.10 3.16 2.07 -0.90 -0.26 116.25 121.69 1th1 h VAL 511 Ca 0.07 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1th1 h VAL 511 Cb 0.61 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1th1 h VAL 511 CO 0.04 0.16 -0.31 1.23 0.02 0.00 0.00 177.57 178.70 1th1 h GLY 512 N 0.86 0.21 1.20 2.17 0.00 -1.39 -2.23 103.07 103.89 1th1 h GLY 512 Ca 0.25 -0.17 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 1th1 h GLY 512 CO -0.07 0.15 -0.51 -2.00 0.00 0.00 0.00 176.54 174.11 1th1 h LEU 513 N 0.17 0.94 -1.10 3.11 5.85 -0.36 -3.14 115.31 120.77 1th1 h LEU 513 Ca 0.02 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1th1 h LEU 513 Cb 0.64 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1th1 h LEU 513 CO 0.05 1.28 0.10 0.40 -0.34 0.00 0.00 178.44 179.93 1th1 h ILE 514 N 0.66 1.21 -0.83 4.05 2.04 -0.75 -1.02 117.51 122.88 1th1 h ILE 514 Ca 0.02 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1th1 h ILE 514 Cb 1.11 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1th1 h ILE 514 CO 0.11 0.29 0.55 -0.09 0.00 0.00 0.00 178.15 179.01 1th1 h ARG 515 N 0.72 1.06 0.04 2.37 2.43 -1.37 -0.67 114.38 118.96 1th1 h ARG 515 Ca 0.16 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 58.99 1th1 h ARG 515 Cb 0.29 -0.24 0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1th1 h ARG 515 CO 0.00 0.70 -1.11 -0.91 -1.51 0.00 0.00 179.97 177.14 1th1 h ASN 516 N 1.09 0.87 0.44 -3.80 -0.26 -1.41 -3.26 115.58 109.25 1th1 h ASN 516 Ca 0.31 -0.73 -0.04 0.00 -0.56 0.00 0.00 56.30 55.28 1th1 h ASN 516 Cb -0.08 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.91 1th1 h ASN 516 CO -0.08 1.53 -0.21 -0.07 -1.06 0.00 0.00 177.43 177.55 1th1 h LEU 517 N 0.34 0.00 -0.21 1.61 3.38 -0.53 -2.35 115.31 117.55 1th1 h LEU 517 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1th1 h LEU 517 Cb 1.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1th1 h LEU 517 CO 0.21 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.96 1th1 n ALA 518 N -2.34 2.02 0.26 1.53 0.00 -0.32 -2.94 120.51 118.72 1th1 n ALA 518 Ca -0.02 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1th1 n ALA 518 Cb 0.32 -1.41 0.69 0.00 0.00 0.00 0.00 19.45 19.05 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 -9.09 0.00 3.38 -1.52 -3.40 115.31 104.67 1th1 h LEU 519 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1th1 h LEU 519 Cb 0.52 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.17 1th1 h LEU 519 CO 0.00 0.10 0.12 0.00 0.09 0.00 0.00 178.44 178.75 1th1 h PRO 521 N 7.56 0.00 0.00 0.00 0.13 -1.88 -2.59 132.00 135.22 1th1 h PRO 521 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1th1 h PRO 521 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1th1 h PRO 521 CO 0.77 0.17 0.00 0.00 -0.23 0.00 0.00 178.00 178.71 1th1 n ALA 522 N -2.39 1.69 0.94 -0.56 0.00 -1.26 -1.94 120.51 116.99 1th1 n ALA 522 Ca -0.02 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1th1 n ALA 522 Cb 0.25 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.50 1.13 0.03 0.00 3.02 -0.98 -4.55 115.26 112.42 1th1 n ASN 523 Ca 0.04 -1.06 -0.11 0.00 -0.03 0.00 0.00 54.58 53.41 1th1 n ASN 523 Cb 0.18 0.90 -0.05 0.00 -0.61 0.00 0.00 39.78 40.19 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 0.43 -0.14 0.04 3.10 3.86 -1.45 -2.15 115.15 118.84 1th1 h HIS 524 Ca 0.00 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1th1 h HIS 524 Cb 0.51 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1th1 h HIS 524 CO 0.00 -0.09 -0.02 0.00 0.86 0.00 0.00 177.93 178.68 1th1 h ALA 525 N 0.94 -0.05 -0.20 2.45 0.00 -1.81 -3.14 119.26 117.45 1th1 h ALA 525 Ca 0.03 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1th1 h ALA 525 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1th1 h ALA 525 CO -0.08 -0.24 0.16 -1.35 0.00 0.00 0.00 179.25 177.74 1th1 h PRO 526 N -0.63 0.00 -0.02 0.00 0.11 -1.79 -0.88 132.00 128.79 1th1 h PRO 526 Ca -0.01 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.93 1th1 h PRO 526 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1th1 h PRO 526 CO 0.01 0.00 -0.78 1.25 -0.21 0.00 0.00 178.00 178.26 1th1 h LEU 527 N 0.00 0.24 -0.01 2.35 5.85 -1.45 -2.90 115.31 119.38 1th1 h LEU 527 Ca 0.09 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1th1 h LEU 527 Cb 0.42 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1th1 h LEU 527 CO -0.00 0.93 -0.39 -0.09 -0.34 0.00 0.00 178.44 178.55 1th1 h ARG 528 N 0.12 0.29 -0.24 1.25 2.43 -1.16 -2.43 114.38 114.65 1th1 h ARG 528 Ca -0.03 -0.29 0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1th1 h ARG 528 Cb 1.37 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 1th1 h ARG 528 CO 0.12 0.98 0.18 0.93 -1.51 0.00 0.00 179.97 180.67 1th1 h GLU 529 N -0.29 0.00 -0.01 0.20 5.08 -1.26 0.18 114.58 118.48 1th1 h GLU 529 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1th1 h GLU 529 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1th1 h GLU 529 CO 0.08 0.00 -0.09 1.04 -1.00 0.00 0.00 179.01 179.03 1th1 n GLN 530 N -4.36 0.97 -2.29 2.33 1.13 -1.10 -4.95 117.38 109.12 1th1 n GLN 530 Ca 0.03 -0.40 0.00 0.00 -1.94 0.00 0.00 57.00 54.68 1th1 n GLN 530 Cb 0.33 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 1.23 0.72 0.18 1.08 0.00 0.05 -4.90 105.19 103.55 1th1 n GLY 531 Ca 0.16 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 0.28 -0.26 4.61 0.00 -1.59 -3.31 119.26 119.00 1th1 h ALA 532 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1th1 h ALA 532 Cb 1.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1th1 h ALA 532 CO 0.00 0.36 0.03 0.82 0.00 0.00 0.00 179.25 180.46 1th1 h ILE 533 N 0.22 0.86 -0.72 0.00 2.04 -1.85 0.50 117.51 118.55 1th1 h ILE 533 Ca 0.00 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1th1 h ILE 533 Cb 0.97 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1th1 h ILE 533 CO 0.08 0.02 0.28 -0.65 0.00 0.00 0.00 178.15 177.89 1th1 h PRO 534 N 0.12 1.07 -0.44 2.37 0.11 -1.95 -1.93 132.00 131.36 1th1 h PRO 534 Ca 0.12 -0.20 -0.15 0.00 0.11 0.00 0.00 66.00 65.88 1th1 h PRO 534 Cb 0.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1th1 h PRO 534 CO -0.17 0.89 -0.30 -0.09 -0.21 0.00 0.00 178.00 178.11 1th1 h ARG 535 N 1.03 0.97 -0.50 1.05 9.65 -1.60 0.13 114.38 125.12 1th1 h ARG 535 Ca 0.24 -0.47 -0.06 0.00 -1.10 0.00 0.00 59.98 58.60 1th1 h ARG 535 Cb 0.22 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1th1 h ARG 535 CO -0.02 1.13 0.08 -0.07 2.80 0.00 0.00 179.97 183.89 1th1 h LEU 536 N 0.82 0.73 -0.19 3.80 3.38 -0.79 -0.11 115.31 122.95 1th1 h LEU 536 Ca 0.09 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1th1 h LEU 536 Cb 0.89 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1th1 h LEU 536 CO 0.08 0.75 -0.61 0.58 0.09 0.00 0.00 178.44 179.33 1th1 h VAL 537 N 0.74 1.30 -0.86 1.22 2.07 -1.15 -2.01 116.25 117.56 1th1 h VAL 537 Ca 0.16 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 1th1 h VAL 537 Cb 0.34 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1th1 h VAL 537 CO 0.01 0.58 0.44 -0.61 0.02 0.00 0.00 177.57 178.00 1th1 h GLN 538 N 0.48 1.22 -0.05 1.57 4.15 -0.65 -0.72 115.11 121.10 1th1 h GLN 538 Ca -0.02 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.12 1th1 h GLN 538 Cb 1.23 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1th1 h GLN 538 CO 0.13 0.91 -0.51 -0.07 -1.93 0.00 0.00 178.83 177.36 1th1 h LEU 539 N 1.21 0.15 -0.43 -2.39 3.38 -1.00 -2.31 115.31 113.92 1th1 h LEU 539 Ca 0.30 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 1th1 h LEU 539 Cb 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1th1 h LEU 539 CO -0.04 0.64 -0.59 0.25 0.09 0.00 0.00 178.44 178.79 1th1 h LEU 540 N 0.11 0.70 -0.10 1.67 5.85 -0.63 -2.38 115.31 120.53 1th1 h LEU 540 Ca 0.00 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1th1 h LEU 540 Cb 0.94 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1th1 h LEU 540 CO 0.07 1.13 -0.07 0.58 -0.34 0.00 0.00 178.44 179.81 1th1 h VAL 541 N 0.47 1.34 -0.78 1.05 2.07 -1.02 -1.83 116.25 117.56 1th1 h VAL 541 Ca 0.00 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1th1 h VAL 541 Cb 1.15 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.79 1th1 h VAL 541 CO 0.11 0.33 0.44 0.03 0.02 0.00 0.00 177.57 178.51 1th1 h ARG 542 N -0.17 1.07 -0.08 1.57 3.08 -1.46 -1.21 114.38 117.19 1th1 h ARG 542 Ca 0.02 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 1th1 h ARG 542 Cb 0.56 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1th1 h ARG 542 CO 0.02 0.78 -0.57 0.00 -1.07 0.00 0.00 179.97 179.13 1th1 h ALA 543 N 1.23 0.89 0.02 0.04 0.00 -1.44 -2.28 119.26 117.72 1th1 h ALA 543 Ca 0.28 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1th1 h ALA 543 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1th1 h ALA 543 CO -0.05 0.71 -0.98 1.25 0.00 0.00 0.00 179.25 180.18 1th1 h HIS 544 N 0.18 0.61 -0.08 0.00 -0.00 -1.10 -3.01 115.15 111.74 1th1 h HIS 544 Ca -0.00 -0.34 -0.09 0.00 -0.00 0.00 0.00 60.37 59.94 1th1 h HIS 544 Cb 1.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 1th1 h HIS 544 CO 0.02 1.17 -0.35 1.96 -0.00 0.00 0.00 177.93 180.73 1th1 h GLN 545 N 0.22 0.15 0.00 5.26 4.20 -1.13 -2.27 115.11 121.53 1th1 h GLN 545 Ca -0.09 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1th1 h GLN 545 Cb 1.63 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 1th1 h GLN 545 CO 0.17 0.49 -0.22 -0.44 -0.67 0.00 0.00 178.83 178.16 1th1 h ASP 546 N 0.13 0.00 1.58 1.46 3.45 -1.43 -1.97 116.42 119.64 1th1 h ASP 546 Ca 0.02 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 1th1 h ASP 546 Cb 0.70 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.46 1th1 h ASP 546 CO 0.05 0.22 -0.43 0.74 -1.57 0.00 0.00 179.24 178.26 1th1 h THR 547 N 0.00 0.39 0.00 0.35 2.02 -1.32 -3.21 112.91 111.14 1th1 h THR 547 Ca -0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1th1 h THR 547 Cb 1.02 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1th1 h THR 547 CO 0.03 0.22 -0.84 0.00 0.37 0.00 0.00 175.52 175.30 1th1 n GLN 548 N -3.09 0.20 0.08 6.66 1.13 -0.89 -3.59 117.38 117.88 1th1 n GLN 548 Ca 0.02 0.01 0.12 0.00 -1.94 0.00 0.00 57.00 55.21 1th1 n GLN 548 Cb 0.64 -1.58 0.10 0.00 0.11 0.00 0.00 30.24 29.51 1th1 n GLN 548 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1th1 h ARG 549 N 0.00 0.00 -0.15 -1.09 3.08 -1.39 -3.35 114.38 111.49 1th1 h ARG 549 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1th1 h ARG 549 Cb 0.66 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.62 1th1 h ARG 549 CO 0.00 0.00 -0.58 0.54 -1.07 0.00 0.00 179.97 178.86 1th1 n ARG 550 N -2.37 1.94 0.09 0.04 1.74 -1.21 -4.73 116.66 112.15 1th1 n ARG 550 Ca 0.02 -3.44 -0.22 0.00 -0.77 0.00 0.00 57.85 53.44 1th1 n ARG 550 Cb 0.49 -1.70 -0.14 0.00 -1.02 0.00 0.00 32.46 30.09 1th1 n ARG 550 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1th1 h THR 551 N 1.41 1.33 -0.33 0.55 2.02 -1.70 -3.50 112.91 112.69 1th1 h THR 551 Ca 0.06 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1th1 h THR 551 Cb 1.13 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1th1 h THR 551 CO 0.15 0.75 0.00 -1.54 0.37 0.00 0.00 175.52 175.24 1th1 n SER 552 N -3.86 1.96 0.00 4.18 3.41 -1.26 -5.14 113.62 112.90 1th1 n SER 552 Ca -0.14 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1th1 n SER 552 Cb 0.97 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 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 0.47 0.00 -3.53 4.33 0.00 -1.26 -5.24 117.38 112.15 1th1 n GLN 559 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 57.00 56.70 1th1 n GLN 559 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.49 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 -0.16 3.42 -0.47 2.61 0.40 -1.26 -4.41 117.98 118.11 1th1 s PHE 560 Ca 0.00 -1.85 -0.28 0.00 -0.60 0.00 0.00 56.93 54.19 1th1 s PHE 560 Cb 0.00 -3.52 0.03 0.00 0.51 0.00 0.00 43.02 40.03 1th1 s PHE 560 CO 0.00 -0.99 1.09 0.08 0.70 0.00 0.00 175.22 176.09 1th1 s VAL 561 N 1.33 4.27 -1.02 -0.44 1.01 -0.31 -3.48 120.40 121.76 1th1 s VAL 561 Ca 0.06 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1th1 s VAL 561 Cb -0.26 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1th1 s VAL 561 CO -0.01 -0.96 0.00 -0.62 0.00 0.00 0.00 175.10 173.52 1th1 n GLU 562 N 7.66 -1.46 0.00 2.72 1.02 -1.26 -2.16 120.64 127.16 1th1 n GLU 562 Ca 0.11 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1th1 n GLU 562 Cb 0.49 -5.07 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 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 -0.22 0.68 3.20 0.62 0.00 -1.23 -4.64 105.19 103.60 1th1 n GLY 563 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 1.38 0.35 1.61 1.01 -0.92 -4.97 120.40 116.86 1th1 s VAL 564 Ca 0.00 -1.19 -0.22 0.00 0.00 0.00 0.00 61.98 60.57 1th1 s VAL 564 Cb 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 36.38 35.04 1th1 s VAL 564 CO 0.00 0.02 0.89 -0.13 0.00 0.00 0.00 175.10 175.89 1th1 s ARG 565 N -1.36 4.35 0.41 2.72 0.52 -1.26 -1.16 118.95 123.16 1th1 s ARG 565 Ca 0.04 1.12 0.27 0.00 -0.52 0.00 0.00 55.73 56.64 1th1 s ARG 565 Cb -0.09 -2.55 0.88 0.00 0.52 0.00 0.00 34.95 33.71 1th1 s ARG 565 CO 0.02 0.17 1.78 0.52 0.02 0.00 0.00 175.30 177.82 1th1 h MET 566 N 2.66 0.00 0.00 3.54 2.86 -1.91 -3.10 114.93 118.97 1th1 h MET 566 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1th1 h MET 566 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1th1 h MET 566 CO 0.64 0.00 0.00 0.93 1.06 0.00 0.00 176.91 179.54 1th1 h GLU 567 N 0.00 0.00 0.01 1.72 3.07 -1.94 -2.69 114.58 114.75 1th1 h GLU 567 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 1th1 h GLU 567 Cb 0.68 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1th1 h GLU 567 CO 0.00 0.00 -0.91 0.93 -1.40 0.00 0.00 179.01 177.63 1th1 h GLU 568 N 0.00 0.23 -0.04 2.33 5.08 -1.96 -2.49 114.58 117.73 1th1 h GLU 568 Ca 0.00 -0.26 -0.18 0.00 -1.00 0.00 0.00 59.36 57.92 1th1 h GLU 568 Cb 0.79 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1th1 h GLU 568 CO 0.00 0.99 -0.77 0.82 -1.00 0.00 0.00 179.01 179.06 1th1 h ILE 569 N 0.12 1.42 -0.38 3.13 1.08 -1.63 -1.94 117.51 119.32 1th1 h ILE 569 Ca -0.05 -2.30 -0.11 0.00 -0.39 0.00 0.00 64.86 62.01 1th1 h ILE 569 Cb 1.55 2.24 -0.01 0.00 -3.07 0.00 0.00 36.82 37.53 1th1 h ILE 569 CO 0.14 0.68 -0.20 0.58 -0.69 0.00 0.00 178.15 178.66 1th1 h VAL 570 N 0.19 1.28 -0.20 1.67 2.07 -1.45 -1.99 116.25 117.82 1th1 h VAL 570 Ca -0.03 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 1th1 h VAL 570 Cb 1.35 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1th1 h VAL 570 CO 0.12 0.44 -0.09 -0.08 0.02 0.00 0.00 177.57 177.99 1th1 h GLU 571 N 0.60 0.41 -0.36 1.57 4.81 -1.42 -2.42 114.58 117.76 1th1 h GLU 571 Ca 0.08 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1th1 h GLU 571 Cb 0.76 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1th1 h GLU 571 CO 0.06 0.69 0.10 0.78 -0.73 0.00 0.00 179.01 179.91 1th1 h GLY 572 N 0.11 0.61 0.91 1.92 0.00 -1.37 -0.38 103.07 104.86 1th1 h GLY 572 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1th1 h GLY 572 CO 0.03 0.35 -0.05 0.00 0.00 0.00 0.00 176.54 176.87 1th1 h THR 574 N 0.39 1.32 -0.17 0.00 2.02 -1.46 -1.46 112.91 113.54 1th1 h THR 574 Ca 0.08 -1.54 -0.17 0.00 0.77 0.00 0.00 66.41 65.56 1th1 h THR 574 Cb 0.53 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1th1 h THR 574 CO 0.03 0.44 -0.59 1.23 0.37 0.00 0.00 175.52 177.00 1th1 h GLY 575 N 1.32 0.62 1.71 2.16 0.00 -0.76 -0.87 103.07 107.24 1th1 h GLY 575 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 47.33 46.40 1th1 h GLY 575 CO 0.06 0.67 -0.79 0.00 0.00 0.00 0.00 176.54 176.48 1th1 h ALA 576 N 0.93 0.59 0.00 3.60 0.00 -0.52 -2.98 119.26 120.87 1th1 h ALA 576 Ca -0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 1th1 h ALA 576 Cb 1.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1th1 h ALA 576 CO 0.11 0.83 -0.55 -0.07 0.00 0.00 0.00 179.25 179.57 1th1 h LEU 577 N 0.17 0.00 0.21 0.00 3.38 -1.17 -1.99 115.31 115.91 1th1 h LEU 577 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1th1 h LEU 577 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1th1 h LEU 577 CO 0.13 0.55 -0.10 -0.74 0.09 0.00 0.00 178.44 178.37 1th1 h HIS 578 N 0.00 -0.26 0.00 1.13 2.76 -1.08 -0.56 115.15 117.14 1th1 h HIS 578 Ca -0.01 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.05 1th1 h HIS 578 Cb 1.14 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 1th1 h HIS 578 CO 0.00 0.03 -0.50 0.82 -1.30 0.00 0.00 177.93 176.98 1th1 h ILE 579 N -0.53 1.34 0.00 6.26 1.08 -1.54 -2.76 117.51 121.35 1th1 h ILE 579 Ca -0.03 -1.72 -0.12 0.00 -0.39 0.00 0.00 64.86 62.60 1th1 h ILE 579 Cb 0.40 1.93 -0.02 0.00 -3.07 0.00 0.00 36.82 36.06 1th1 h ILE 579 CO 0.05 0.49 -0.59 0.25 -0.69 0.00 0.00 178.15 177.66 1th1 h LEU 580 N 0.00 0.00 0.00 1.44 5.85 -1.28 -3.17 115.31 118.16 1th1 h LEU 580 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1th1 h LEU 580 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1th1 h LEU 580 CO 0.06 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 1th1 n ALA 581 N -2.32 2.23 0.20 1.25 0.00 -0.23 -2.79 120.51 118.86 1th1 n ALA 581 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1th1 n ALA 581 Cb 0.67 -1.12 0.29 0.00 0.00 0.00 0.00 19.45 19.29 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 0.00 0.00 -5.95 0.00 3.08 -1.67 -3.44 114.38 106.40 1th1 h ARG 582 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1th1 h ARG 582 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1th1 h ARG 582 CO 0.00 0.25 -0.16 0.34 -1.07 0.00 0.00 179.97 179.33 1th1 s ASP 583 N -6.23 6.80 0.22 7.04 2.15 -1.12 -5.02 116.67 120.52 1th1 s ASP 583 Ca 0.03 0.96 -0.06 0.00 0.43 0.00 0.00 52.55 53.91 1th1 s ASP 583 Cb 0.08 -2.28 0.20 0.00 -0.30 0.00 0.00 42.92 40.63 1th1 s ASP 583 CO 0.67 0.22 1.72 1.62 -0.17 0.00 0.00 175.17 179.22 1th1 h VAL 584 N 4.00 1.26 0.00 1.11 3.04 -1.90 -2.50 116.25 121.25 1th1 h VAL 584 Ca -0.48 -1.04 -0.12 0.00 -1.01 0.00 0.00 66.70 64.05 1th1 h VAL 584 Cb 1.21 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.22 1th1 h VAL 584 CO 0.66 0.38 -0.56 0.45 -1.01 0.00 0.00 177.57 177.49 1th1 h HIS 585 N 0.90 0.00 -0.15 3.17 3.86 -1.96 -3.00 115.15 117.98 1th1 h HIS 585 Ca 0.17 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.22 1th1 h HIS 585 Cb 0.46 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 1th1 h HIS 585 CO 0.03 0.56 -0.61 -0.91 0.86 0.00 0.00 177.93 177.86 1th1 h ASN 586 N 0.00 0.59 -0.37 2.45 2.35 -1.81 -3.20 115.58 115.59 1th1 h ASN 586 Ca -0.01 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 1th1 h ASN 586 Cb 1.00 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1th1 h ASN 586 CO 0.07 1.06 0.17 0.03 -1.65 0.00 0.00 177.43 177.12 1th1 h ARG 587 N 0.39 0.59 -0.46 0.81 3.08 -1.30 -1.43 114.38 116.04 1th1 h ARG 587 Ca -0.01 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1th1 h ARG 587 Cb 1.17 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1th1 h ARG 587 CO 0.11 0.48 -0.02 0.82 -1.07 0.00 0.00 179.97 180.30 1th1 h ILE 588 N 0.59 1.26 -0.34 2.04 2.04 -1.55 -0.24 117.51 121.30 1th1 h ILE 588 Ca 0.15 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 1th1 h ILE 588 Cb 0.11 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1th1 h ILE 588 CO -0.02 0.37 -0.14 0.58 0.00 0.00 0.00 178.15 178.95 1th1 h VAL 589 N 0.68 1.28 -0.42 1.67 2.07 -1.50 0.14 116.25 120.17 1th1 h VAL 589 Ca 0.13 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1th1 h VAL 589 Cb 0.53 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1th1 h VAL 589 CO 0.03 0.40 0.07 0.40 0.02 0.00 0.00 177.57 178.49 1th1 h ILE 590 N 0.48 1.24 -0.20 4.57 2.04 -1.17 -2.96 117.51 121.51 1th1 h ILE 590 Ca 0.08 -0.87 -0.18 0.00 1.00 0.00 0.00 64.86 64.89 1th1 h ILE 590 Cb 0.66 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1th1 h ILE 590 CO 0.04 0.30 -0.61 -0.09 0.00 0.00 0.00 178.15 177.80 1th1 h ARG 591 N 0.55 0.66 0.00 2.37 2.43 -1.01 -3.20 114.38 116.19 1th1 h ARG 591 Ca 0.13 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1th1 h ARG 591 Cb 0.37 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1th1 h ARG 591 CO 0.01 1.07 0.00 0.41 -1.51 0.00 0.00 179.97 179.95 1th1 n GLY 592 N 0.39 -1.01 1.77 2.80 0.00 0.48 -2.36 105.19 107.25 1th1 n GLY 592 Ca -0.04 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1th1 n GLY 592 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1th1 n LEU 593 N -1.92 5.31 -3.48 0.99 4.77 -1.13 -4.96 117.00 116.59 1th1 n LEU 593 Ca 0.02 -2.69 -0.17 0.00 -0.03 0.00 0.00 56.01 53.14 1th1 n LEU 593 Cb 0.15 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1th1 n LEU 593 CO 0.13 0.64 0.03 -3.20 -1.33 0.00 0.00 177.39 173.66 1th1 n ASN 594 N 0.70 -6.13 -0.06 -1.43 5.15 -0.99 -4.94 115.26 107.55 1th1 n ASN 594 Ca 0.26 -0.63 0.04 0.00 -0.60 0.00 0.00 54.58 53.65 1th1 n ASN 594 Cb 1.09 -3.52 -0.03 0.00 -0.53 0.00 0.00 39.78 36.78 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 -2.67 0.00 -0.15 -0.44 -1.04 -1.25 -4.64 114.28 104.08 1th1 n THR 595 Ca -0.14 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.05 61.47 1th1 n THR 595 Cb 0.59 1.03 0.10 0.00 -1.82 0.00 0.00 70.33 70.23 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 0.29 1.26 -0.51 12.58 2.04 -1.86 -2.55 117.51 128.75 1th1 h ILE 596 Ca 0.00 -1.10 -0.09 0.00 1.00 0.00 0.00 64.86 64.67 1th1 h ILE 596 Cb 0.23 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1th1 h ILE 596 CO 0.00 0.39 -0.02 -0.65 0.00 0.00 0.00 178.15 177.87 1th1 h PRO 597 N 0.84 0.89 -0.62 2.37 0.11 -1.95 -2.82 132.00 130.83 1th1 h PRO 597 Ca 0.15 -0.27 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 1th1 h PRO 597 Cb 0.52 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1th1 h PRO 597 CO 0.03 0.90 0.11 1.25 -0.21 0.00 0.00 178.00 180.08 1th1 h LEU 598 N 0.82 0.97 -1.32 2.35 5.85 -1.85 -2.87 115.31 119.26 1th1 h LEU 598 Ca 0.15 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1th1 h LEU 598 Cb 0.52 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1th1 h LEU 598 CO 0.03 0.98 -0.28 -0.26 -0.34 0.00 0.00 178.44 178.57 1th1 h PHE 599 N 0.93 0.11 0.00 1.25 0.04 -1.31 -2.46 116.94 115.49 1th1 h PHE 599 Ca 0.19 -0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.81 1th1 h PHE 599 Cb 0.41 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1th1 h PHE 599 CO 0.03 0.37 -0.64 0.28 -0.60 0.00 0.00 178.31 177.76 1th1 h VAL 600 N 0.09 1.20 0.00 -0.55 2.07 -1.37 -3.13 116.25 114.55 1th1 h VAL 600 Ca 0.01 -2.42 -0.05 0.00 0.82 0.00 0.00 66.70 65.06 1th1 h VAL 600 Cb 0.54 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1th1 h VAL 600 CO 0.04 0.63 -0.26 1.56 0.02 0.00 0.00 177.57 179.55 1th1 h GLN 601 N 0.00 0.00 -0.01 1.57 1.08 -1.23 -3.01 115.11 113.51 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 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1th1 h GLN 601 CO 0.08 0.26 0.00 1.28 -0.95 0.00 0.00 178.83 179.50 1th1 n LEU 602 N -3.33 0.26 0.02 1.46 4.77 -1.06 -3.16 117.00 115.97 1th1 n LEU 602 Ca 0.01 -0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1th1 n LEU 602 Cb 0.50 -0.01 0.23 0.00 -2.33 0.00 0.00 43.42 41.81 1th1 n LEU 602 CO 0.35 0.05 0.42 0.18 -1.33 0.00 0.00 177.39 177.06 1th1 n LEU 603 N -0.72 0.55 -0.17 2.23 4.77 -1.14 -3.86 117.00 118.66 1th1 n LEU 603 Ca 0.20 0.11 0.10 0.00 -0.03 0.00 0.00 56.01 56.39 1th1 n LEU 603 Cb 0.14 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1th1 n LEU 603 CO 0.15 0.05 0.08 -1.22 -1.33 0.00 0.00 177.39 175.12 1th1 n TYR 604 N -1.74 0.00 -2.02 -1.77 4.02 -1.19 -4.96 117.16 109.50 1th1 n TYR 604 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.53 1th1 n TYR 604 Cb 0.38 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.68 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 -2.82 6.65 0.45 7.72 1.04 -1.25 -4.96 113.70 120.53 1th1 s SER 605 Ca 0.12 2.77 0.13 0.00 0.48 0.00 0.00 55.95 59.45 1th1 s SER 605 Cb 0.17 -2.65 1.02 0.00 0.10 0.00 0.00 66.02 64.66 1th1 s SER 605 CO 0.76 -0.65 2.03 1.55 0.98 0.00 0.00 173.24 177.92 1th1 h PRO 606 N 3.63 0.10 -6.16 4.02 0.13 -1.94 -3.43 132.00 128.36 1th1 h PRO 606 Ca -0.49 -0.01 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 1th1 h PRO 606 Cb 1.23 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1th1 h PRO 606 CO 0.68 0.18 0.90 0.42 -0.23 0.00 0.00 178.00 179.95 1th1 s ILE 607 N -4.87 4.32 0.45 -3.56 1.01 -1.26 -4.92 121.20 112.37 1th1 s ILE 607 Ca -0.05 1.59 0.16 0.00 0.00 0.00 0.00 60.65 62.35 1th1 s ILE 607 Cb 0.16 -4.05 0.34 0.00 0.01 0.00 0.00 42.46 38.92 1th1 s ILE 607 CO 0.70 -0.17 1.99 -0.08 0.00 0.00 0.00 174.94 177.37 1th1 h GLU 608 N 8.20 0.31 0.00 2.79 4.81 -2.01 -2.46 114.58 126.22 1th1 h GLU 608 Ca -0.25 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.87 1th1 h GLU 608 Cb 1.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1th1 h GLU 608 CO 0.98 0.20 -0.44 -0.91 -0.73 0.00 0.00 179.01 178.11 1th1 h ASN 609 N 0.32 0.00 -0.08 1.04 2.35 -1.96 -2.50 115.58 114.74 1th1 h ASN 609 Ca 0.27 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.79 1th1 h ASN 609 Cb 0.63 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.01 1th1 h ASN 609 CO -0.06 0.44 -0.85 0.40 -1.65 0.00 0.00 177.43 175.71 1th1 h ILE 610 N 0.00 1.29 0.00 2.81 1.08 -1.79 -3.03 117.51 117.87 1th1 h ILE 610 Ca -0.00 -2.07 -0.06 0.00 -0.39 0.00 0.00 64.86 62.34 1th1 h ILE 610 Cb 0.79 2.18 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 1th1 h ILE 610 CO 0.06 0.64 -0.27 1.56 -0.69 0.00 0.00 178.15 179.45 1th1 h GLN 611 N 0.41 0.00 0.03 2.37 4.20 -1.50 -0.77 115.11 119.85 1th1 h GLN 611 Ca -0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1th1 h GLN 611 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1th1 h GLN 611 CO 0.17 0.27 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.50 1th1 h ARG 612 N 0.00 -0.04 0.00 1.46 2.43 -1.43 -2.47 114.38 114.33 1th1 h ARG 612 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1th1 h ARG 612 Cb 0.55 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1th1 h ARG 612 CO 0.03 0.53 -0.12 -0.39 -1.51 0.00 0.00 179.97 178.51 1th1 h VAL 613 N -0.63 0.23 0.03 0.20 -1.51 -1.47 -1.46 116.25 111.65 1th1 h VAL 613 Ca -0.00 -1.13 -0.18 0.00 -1.23 0.00 0.00 66.70 64.16 1th1 h VAL 613 Cb 0.58 1.93 0.02 0.00 -2.13 0.00 0.00 31.29 31.69 1th1 h VAL 613 CO 0.01 0.12 -0.73 0.00 -1.23 0.00 0.00 177.57 175.74 1th1 h ALA 614 N 1.88 0.05 0.00 5.19 0.00 -1.20 -2.27 119.26 122.91 1th1 h ALA 614 Ca -0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 1th1 h ALA 614 Cb 0.92 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1th1 h ALA 614 CO 0.02 0.41 -0.34 0.00 0.00 0.00 0.00 179.25 179.34 1th1 h ALA 615 N 0.29 0.90 -0.19 0.00 0.00 -1.46 -2.72 119.26 116.08 1th1 h ALA 615 Ca -0.10 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 1th1 h ALA 615 Cb 1.45 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1th1 h ALA 615 CO 0.14 0.43 -0.60 0.78 0.00 0.00 0.00 179.25 179.99 1th1 h GLY 616 N 2.59 0.70 1.74 0.00 0.00 -1.23 -1.66 103.07 105.21 1th1 h GLY 616 Ca -0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 47.33 46.21 1th1 h GLY 616 CO 0.04 0.77 -1.13 -0.24 0.00 0.00 0.00 176.54 175.99 1th1 h VAL 617 N 0.48 1.55 0.00 4.60 3.04 -1.37 -3.03 116.25 121.52 1th1 h VAL 617 Ca -0.00 -3.09 -0.06 0.00 -1.01 0.00 0.00 66.70 62.54 1th1 h VAL 617 Cb 1.18 2.85 -0.01 0.00 -2.01 0.00 0.00 31.29 33.30 1th1 h VAL 617 CO 0.12 0.90 -0.30 -0.07 -1.01 0.00 0.00 177.57 177.21 1th1 h LEU 618 N 0.06 0.00 -0.16 3.16 3.38 -1.49 -1.49 115.31 118.78 1th1 h LEU 618 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1th1 h LEU 618 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1th1 h LEU 618 CO 0.18 0.30 -0.33 0.00 0.09 0.00 0.00 178.44 178.67 1th1 h GLU 620 N 0.14 0.74 0.00 0.00 4.39 -1.38 -2.98 114.58 115.48 1th1 h GLU 620 Ca 0.00 -0.33 -0.09 0.00 0.34 0.00 0.00 59.36 59.29 1th1 h GLU 620 Cb 0.93 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1th1 h GLU 620 CO 0.07 0.94 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.38 1th1 h LEU 621 N 0.63 0.00 -1.83 1.33 3.38 -1.29 -3.26 115.31 114.27 1th1 h LEU 621 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1th1 h LEU 621 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1th1 h LEU 621 CO 0.07 0.41 -0.10 0.00 0.09 0.00 0.00 178.44 178.91 1th1 h ALA 622 N 1.59 1.14 0.00 1.53 0.00 -1.18 -2.72 119.26 119.62 1th1 h ALA 622 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1th1 h ALA 622 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1th1 h ALA 622 CO 0.05 0.12 0.00 -0.56 0.00 0.00 0.00 179.25 178.86 1th1 h GLN 623 N 0.00 0.00 -5.81 0.00 3.07 -1.65 -3.38 115.11 107.33 1th1 h GLN 623 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.14 1th1 h GLN 623 Cb 0.40 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 27.84 1th1 h GLN 623 CO 0.01 0.00 0.94 -0.51 0.09 0.00 0.00 178.83 179.36 1th1 s ASP 624 N -5.38 6.29 0.28 0.06 1.01 -1.02 -4.95 116.67 112.96 1th1 s ASP 624 Ca 0.07 -1.05 -0.03 0.00 0.71 0.00 0.00 52.55 52.25 1th1 s ASP 624 Cb 0.08 -2.49 0.58 0.00 1.01 0.00 0.00 42.92 42.10 1th1 s ASP 624 CO 0.59 -1.53 1.61 0.50 0.21 0.00 0.00 175.17 176.54 1th1 h LYS 625 N 9.66 0.07 0.00 8.23 1.63 -1.83 0.13 116.57 134.46 1th1 h LYS 625 Ca -0.13 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.59 1th1 h LYS 625 Cb 1.05 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.65 1th1 h LYS 625 CO 1.25 0.04 -0.35 1.49 -3.45 0.00 0.00 179.45 178.44 1th1 h GLU 626 N 0.07 0.00 -0.00 1.90 4.81 -1.92 -2.95 114.58 116.49 1th1 h GLU 626 Ca 0.50 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.51 1th1 h GLU 626 Cb 0.95 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1th1 h GLU 626 CO -0.79 0.35 -0.92 0.00 -0.73 0.00 0.00 179.01 176.92 1th1 h ALA 627 N 1.65 0.41 -0.01 2.92 0.00 -1.02 -3.23 119.26 120.00 1th1 h ALA 627 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1th1 h ALA 627 Cb 0.61 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1th1 h ALA 627 CO 0.05 0.84 -0.07 0.00 0.00 0.00 0.00 179.25 180.07 1th1 h ALA 628 N 0.80 1.88 0.00 0.00 0.00 -1.23 -1.03 119.26 119.69 1th1 h ALA 628 Ca -0.07 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1th1 h ALA 628 Cb 1.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1th1 h ALA 628 CO 0.15 0.09 -0.91 0.93 0.00 0.00 0.00 179.25 179.52 1th1 h GLU 629 N 0.01 0.00 0.00 0.00 5.08 -1.61 -2.89 114.58 115.16 1th1 h GLU 629 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1th1 h GLU 629 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1th1 h GLU 629 CO 0.01 0.91 -0.60 0.00 -1.00 0.00 0.00 179.01 178.32 1th1 h ALA 630 N 1.09 0.63 0.02 3.43 0.00 -1.31 -2.38 119.26 120.73 1th1 h ALA 630 Ca -0.01 -0.55 -0.27 0.00 0.00 0.00 0.00 54.91 54.08 1th1 h ALA 630 Cb 1.62 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.34 1th1 h ALA 630 CO 0.12 0.75 -1.07 0.82 0.00 0.00 0.00 179.25 179.87 1th1 h ILE 631 N 0.00 1.28 -0.03 0.00 2.04 -1.25 -3.11 117.51 116.44 1th1 h ILE 631 Ca -0.01 -2.29 -0.16 0.00 1.00 0.00 0.00 64.86 63.41 1th1 h ILE 631 Cb 1.44 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 39.93 1th1 h ILE 631 CO 0.08 0.71 -0.68 -0.08 0.00 0.00 0.00 178.15 178.17 1th1 h GLU 632 N 0.37 0.16 0.00 2.37 4.81 -1.55 -2.95 114.58 117.80 1th1 h GLU 632 Ca -0.14 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1th1 h GLU 632 Cb 1.73 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.13 1th1 h GLU 632 CO 0.21 0.78 0.00 0.00 -0.73 0.00 0.00 179.01 179.27 1th1 h ALA 633 N 1.18 1.00 -0.48 2.92 0.00 -1.48 -2.55 119.26 119.85 1th1 h ALA 633 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1th1 h ALA 633 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1th1 h ALA 633 CO 0.10 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.44 1th1 n GLU 634 N -2.96 2.13 -2.82 0.00 4.07 -1.12 -4.94 120.64 114.99 1th1 n GLU 634 Ca 0.01 -1.75 -0.10 0.00 -0.06 0.00 0.00 57.16 55.26 1th1 n GLU 634 Cb 0.33 -1.38 0.05 0.00 -0.06 0.00 0.00 31.44 30.37 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 1.28 0.04 0.02 8.31 0.00 -0.96 -4.98 105.19 108.90 1th1 n GLY 635 Ca 0.16 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.89 3.48 -0.16 4.61 0.00 -1.19 -4.31 120.51 120.06 1th1 n ALA 636 Ca -0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 1th1 n ALA 636 Cb 0.58 -1.09 0.18 0.00 0.00 0.00 0.00 19.45 19.12 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 1.23 -0.09 0.00 2.02 -1.85 -3.19 112.91 111.02 1th1 h THR 637 Ca 0.00 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1th1 h THR 637 Cb 0.58 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1th1 h THR 637 CO 0.00 0.29 -0.19 0.00 0.37 0.00 0.00 175.52 175.99 1th1 h ALA 638 N 1.35 0.15 0.00 6.16 0.00 -1.99 -3.30 119.26 121.62 1th1 h ALA 638 Ca 0.20 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1th1 h ALA 638 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1th1 h ALA 638 CO -0.01 0.08 -0.40 -1.00 0.00 0.00 0.00 179.25 177.91 1th1 h PRO 639 N -0.16 0.00 0.00 0.00 0.13 -1.82 -3.24 132.00 126.91 1th1 h PRO 639 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1th1 h PRO 639 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1th1 h PRO 639 CO 0.04 0.40 0.00 -0.07 -0.23 0.00 0.00 178.00 178.15 1th1 h LEU 640 N 0.00 0.00 -0.02 1.56 3.38 -1.67 -2.97 115.31 115.59 1th1 h LEU 640 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1th1 h LEU 640 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1th1 h LEU 640 CO 0.05 0.00 -1.05 0.74 0.09 0.00 0.00 178.44 178.27 1th1 h THR 641 N 0.00 1.61 0.00 0.22 2.02 -1.63 -3.25 112.91 111.88 1th1 h THR 641 Ca 0.00 -3.15 0.00 0.00 0.77 0.00 0.00 66.41 64.03 1th1 h THR 641 Cb 0.66 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1th1 h THR 641 CO 0.00 0.91 -0.33 -0.33 0.37 0.00 0.00 175.52 176.14 1th1 h GLU 642 N 0.04 0.00 -0.00 6.66 3.07 -1.65 -3.24 114.58 119.46 1th1 h GLU 642 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1th1 h GLU 642 Cb 1.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.69 1th1 h GLU 642 CO 0.15 0.00 -0.33 1.28 -1.40 0.00 0.00 179.01 178.71 1th1 n LEU 643 N -2.26 0.45 -0.10 1.33 4.77 -1.13 -4.13 117.00 115.94 1th1 n LEU 643 Ca 0.04 0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1th1 n LEU 643 Cb 0.45 -0.28 0.20 0.00 -2.33 0.00 0.00 43.42 41.46 1th1 n LEU 643 CO 0.34 0.10 0.95 -0.07 -1.33 0.00 0.00 177.39 177.38 1th1 h LEU 644 N 0.19 0.72 -4.21 2.23 3.38 -1.60 -3.21 115.31 112.81 1th1 h LEU 644 Ca 0.00 -0.14 -0.69 0.00 0.09 0.00 0.00 57.88 57.15 1th1 h LEU 644 Cb 0.49 -0.19 -0.30 0.00 0.09 0.00 0.00 40.66 40.75 1th1 h LEU 644 CO 0.00 0.74 0.75 1.41 0.09 0.00 0.00 178.44 181.43 1th1 n HIS 645 N -4.26 3.15 -3.20 1.13 8.25 -1.26 -4.69 115.22 114.33 1th1 n HIS 645 Ca 0.03 -2.82 -0.28 0.00 -0.26 0.00 0.00 57.72 54.39 1th1 n HIS 645 Cb 0.24 -1.28 -0.02 0.00 1.12 0.00 0.00 29.99 30.05 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 -1.84 6.40 0.00 0.41 1.04 -1.21 -4.99 113.70 113.50 1th1 s SER 646 Ca 0.61 0.73 0.20 0.00 0.48 0.00 0.00 55.95 57.97 1th1 s SER 646 Cb 0.48 -2.15 1.17 0.00 0.10 0.00 0.00 66.02 65.62 1th1 s SER 646 CO -0.10 -0.29 1.58 -2.11 0.98 0.00 0.00 173.24 173.30 1th1 n ARG 647 N -1.31 0.59 -4.47 4.02 1.85 -1.26 -4.72 116.66 111.37 1th1 n ARG 647 Ca -0.02 0.01 -0.34 0.00 -1.00 0.00 0.00 57.85 56.50 1th1 n ARG 647 Cb 0.54 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.35 1th1 n ARG 647 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1th1 s ASN 648 N -2.05 4.97 0.15 2.89 3.84 -1.26 -5.04 114.94 118.45 1th1 s ASN 648 Ca 0.29 0.06 -0.11 0.00 0.21 0.00 0.00 52.86 53.30 1th1 s ASN 648 Cb 0.14 -1.39 0.01 0.00 -0.55 0.00 0.00 41.25 39.46 1th1 s ASN 648 CO 0.24 0.35 1.58 -0.33 -2.79 0.00 0.00 177.10 176.14 1th1 h GLU 649 N 5.36 0.92 -0.16 0.43 4.39 -2.01 -3.24 114.58 120.26 1th1 h GLU 649 Ca -0.48 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 58.82 1th1 h GLU 649 Cb 1.18 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1th1 h GLU 649 CO 0.55 0.99 -0.16 0.78 -1.16 0.00 0.00 179.01 180.01 1th1 h GLY 650 N 0.78 0.43 1.18 -3.84 0.00 -1.97 -2.89 103.07 96.77 1th1 h GLY 650 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1th1 h GLY 650 CO 0.04 0.40 0.51 -2.08 0.00 0.00 0.00 176.54 175.41 1th1 h VAL 651 N 0.04 1.22 -0.26 4.60 2.07 -1.88 -1.63 116.25 120.41 1th1 h VAL 651 Ca 0.03 -0.45 -0.16 0.00 0.82 0.00 0.00 66.70 66.93 1th1 h VAL 651 Cb 0.69 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1th1 h VAL 651 CO 0.04 0.22 -0.51 0.00 0.02 0.00 0.00 177.57 177.35 1th1 h ALA 652 N 1.45 0.63 -0.07 1.67 0.00 -1.62 -2.22 119.26 119.11 1th1 h ALA 652 Ca 0.29 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1th1 h ALA 652 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1th1 h ALA 652 CO -0.06 0.68 -0.08 1.15 0.00 0.00 0.00 179.25 180.94 1th1 h THR 653 N 0.56 1.38 -0.46 0.00 2.02 -1.26 -3.07 112.91 112.09 1th1 h THR 653 Ca 0.02 -1.26 -0.13 0.00 0.77 0.00 0.00 66.41 65.81 1th1 h THR 653 Cb 1.07 2.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 1th1 h THR 653 CO 0.10 0.35 -0.22 1.88 0.37 0.00 0.00 175.52 178.00 1th1 h TYR 654 N -0.27 1.11 -0.15 3.16 0.05 -1.38 -2.44 116.97 117.05 1th1 h TYR 654 Ca 0.01 -0.28 -0.05 0.00 0.05 0.00 0.00 58.73 58.47 1th1 h TYR 654 Cb 0.60 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1th1 h TYR 654 CO 0.10 1.09 -0.12 0.00 -1.05 0.00 0.00 178.16 178.18 1th1 h ALA 655 N 0.85 1.52 -0.02 3.88 0.00 -1.49 -1.75 119.26 122.24 1th1 h ALA 655 Ca 0.10 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1th1 h ALA 655 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1th1 h ALA 655 CO 0.07 0.34 -0.81 0.00 0.00 0.00 0.00 179.25 178.85 1th1 h ALA 656 N 1.66 0.59 -0.19 0.00 0.00 -1.45 -3.14 119.26 116.73 1th1 h ALA 656 Ca 0.05 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 1th1 h ALA 656 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1th1 h ALA 656 CO 0.02 0.85 -0.52 0.00 0.00 0.00 0.00 179.25 179.59 1th1 h ALA 657 N 0.99 0.74 -0.22 0.00 0.00 -0.85 -2.45 119.26 117.48 1th1 h ALA 657 Ca -0.04 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1th1 h ALA 657 Cb 1.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1th1 h ALA 657 CO 0.13 0.68 -0.65 0.28 0.00 0.00 0.00 179.25 179.69 1th1 h VAL 658 N 0.41 1.28 0.00 0.00 2.07 -1.40 -2.37 116.25 116.23 1th1 h VAL 658 Ca 0.01 -1.85 -0.08 0.00 0.82 0.00 0.00 66.70 65.60 1th1 h VAL 658 Cb 1.05 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1th1 h VAL 658 CO 0.10 0.59 -0.39 -0.07 0.02 0.00 0.00 177.57 177.83 1th1 h LEU 659 N 0.60 0.00 -0.04 2.57 3.38 -1.54 -2.31 115.31 117.96 1th1 h LEU 659 Ca -0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1th1 h LEU 659 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1th1 h LEU 659 CO 0.14 0.39 -1.05 0.15 0.09 0.00 0.00 178.44 178.16 1th1 h PHE 660 N 0.00 0.26 0.00 1.13 3.04 -1.39 -3.24 116.94 116.74 1th1 h PHE 660 Ca -0.00 -0.18 -0.17 0.00 3.98 0.00 0.00 57.97 61.60 1th1 h PHE 660 Cb 0.74 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1th1 h PHE 660 CO 0.00 1.09 -0.80 0.00 -2.02 0.00 0.00 178.31 176.58 1th1 h ARG 661 N 0.06 0.00 0.00 1.11 -0.00 -1.23 -2.67 114.38 111.65 1th1 h ARG 661 Ca -0.06 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.26 1th1 h ARG 661 Cb 1.76 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.71 1th1 h ARG 661 CO 0.16 0.80 -0.72 0.52 0.00 0.00 0.00 179.97 180.72 1th1 h MET 662 N 0.00 0.00 0.00 0.04 2.86 -1.51 -3.38 114.93 112.95 1th1 h MET 662 Ca -0.01 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 1th1 h MET 662 Cb 1.53 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.16 1th1 h MET 662 CO 0.10 0.72 -1.23 -1.13 1.06 0.00 0.00 176.91 176.44 1th1 n SER 663 N -3.41 1.87 -0.32 1.22 3.41 -1.22 -4.95 113.62 110.21 1th1 n SER 663 Ca 0.00 0.46 0.15 0.00 -0.26 0.00 0.00 58.87 59.22 1th1 n SER 663 Cb 0.78 -0.90 0.67 0.00 -0.26 0.00 0.00 64.21 64.50 1th1 n SER 663 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26