#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brw s LYS 171 N 0.00 3.17 0.00 5.55 2.20 -1.26 -4.84 119.74 124.56 2brw s LYS 171 Ca 0.00 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2brw s LYS 171 Cb 0.00 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 2brw s LYS 171 CO 0.00 -1.03 0.00 -0.40 -0.36 0.00 0.00 175.35 173.56 2brw n ASP 172 N 6.02 0.19 0.07 1.43 3.85 -1.26 -5.02 116.55 121.83 2brw n ASP 172 Ca -0.05 -0.77 0.06 0.00 -0.71 0.00 0.00 54.79 53.33 2brw n ASP 172 Cb 0.47 0.00 0.50 0.00 -1.35 0.00 0.00 41.12 40.74 2brw n ASP 172 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2brw h THR 173 N 0.77 1.04 0.04 2.12 1.03 -2.00 -2.50 112.91 113.42 2brw h THR 173 Ca 0.00 -0.12 -0.00 0.00 -0.01 0.00 0.00 66.41 66.27 2brw h THR 173 Cb 0.00 0.65 0.00 0.00 -1.07 0.00 0.00 68.15 67.73 2brw h THR 173 CO 0.00 0.07 -0.02 1.88 -0.01 0.00 0.00 175.52 177.43 2brw h TYR 174 N 0.36 -0.06 -0.08 0.00 0.05 -1.96 -2.26 116.97 113.03 2brw h TYR 174 Ca 0.12 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.92 2brw h TYR 174 Cb 0.05 0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 2brw h TYR 174 CO -0.00 0.16 0.06 1.79 -1.05 0.00 0.00 178.16 179.12 2brw h THR 175 N -0.27 0.97 -0.81 -2.88 1.35 -1.81 0.37 112.91 109.84 2brw h THR 175 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2brw h THR 175 Cb 0.25 0.95 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 2brw h THR 175 CO 0.01 0.00 0.51 0.44 -0.25 0.00 0.00 175.52 176.23 2brw h ASP 176 N 0.03 0.95 0.38 5.36 3.45 -0.99 0.20 116.42 125.79 2brw h ASP 176 Ca 0.04 -0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.30 2brw h ASP 176 Cb 0.11 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 2brw h ASP 176 CO -0.00 0.71 -0.60 0.03 -1.57 0.00 0.00 179.24 177.81 2brw h ARG 177 N 1.10 0.22 0.00 3.56 2.47 -0.49 -2.92 114.38 118.32 2brw h ARG 177 Ca 0.29 -0.15 -0.08 0.00 -1.26 0.00 0.00 59.98 58.78 2brw h ARG 177 Cb -0.08 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2brw h ARG 177 CO -0.06 0.76 -0.39 -0.07 0.56 0.00 0.00 179.97 180.77 2brw h LEU 178 N 0.17 0.00 -0.56 3.04 3.38 -0.06 -1.51 115.31 119.77 2brw h LEU 178 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2brw h LEU 178 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2brw h LEU 178 CO 0.09 0.39 -0.71 0.44 0.09 0.00 0.00 178.44 178.74 2brw h ASP 179 N 0.00 0.09 -0.25 -0.43 3.32 -0.51 0.76 116.42 119.40 2brw h ASP 179 Ca -0.00 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 2brw h ASP 179 Cb 0.95 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 2brw h ASP 179 CO 0.05 0.77 -0.38 0.44 -1.72 0.00 0.00 179.24 178.40 2brw h ASP 180 N 0.05 0.76 0.40 6.45 3.32 -1.30 0.29 116.42 126.38 2brw h ASP 180 Ca -0.01 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.50 2brw h ASP 180 Cb 1.26 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2brw h ASP 180 CO 0.10 1.13 -0.22 -0.25 -1.72 0.00 0.00 179.24 178.28 2brw h TRP 181 N 0.41 -0.56 -0.97 4.55 -0.00 -1.14 -0.64 115.95 117.61 2brw h TRP 181 Ca 0.02 -0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.05 2brw h TRP 181 Cb 0.97 0.19 -0.08 0.00 -0.00 0.00 0.00 29.16 30.24 2brw h TRP 181 CO 0.08 -0.34 0.61 -0.91 -0.00 0.00 0.00 178.44 177.88 2brw h ASN 182 N -0.57 0.80 0.17 2.65 2.35 -0.76 0.44 115.58 120.65 2brw h ASN 182 Ca -0.05 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 2brw h ASN 182 Cb 0.46 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 2brw h ASN 182 CO 0.07 0.39 -0.12 1.23 -1.65 0.00 0.00 177.43 177.34 2brw h GLY 183 N 0.84 0.00 1.17 2.83 0.00 0.09 0.18 103.07 108.18 2brw h GLY 183 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.63 2brw h GLY 183 CO -0.27 0.00 -1.37 -2.22 0.00 0.00 0.00 176.54 172.68 2brw h ILE 184 N 0.00 0.73 0.04 2.60 2.04 0.13 -3.18 117.51 119.87 2brw h ILE 184 Ca -0.00 -2.34 -0.37 0.00 1.00 0.00 0.00 64.86 63.15 2brw h ILE 184 Cb 0.24 2.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 2brw h ILE 184 CO 0.02 0.42 -2.17 2.30 0.00 0.00 0.00 178.15 178.71 2brw n ILE 185 N -3.01 1.61 -0.05 -0.67 -5.35 -0.29 -4.80 119.36 106.80 2brw n ILE 185 Ca -0.10 -0.51 -0.06 0.00 -0.27 0.00 0.00 62.75 61.81 2brw n ILE 185 Cb 0.90 -1.68 -0.02 0.00 -1.74 0.00 0.00 39.64 37.10 2brw n ILE 185 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2brw n ALA 186 N -3.33 1.36 -3.43 -1.28 0.00 0.47 -4.86 120.51 109.44 2brw n ALA 186 Ca -0.41 -0.58 -0.20 0.00 0.00 0.00 0.00 53.44 52.26 2brw n ALA 186 Cb 0.96 0.08 0.07 0.00 0.00 0.00 0.00 19.45 20.56 2brw n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2brw n GLY 187 N 1.98 -0.35 0.15 0.00 0.00 -0.15 -4.15 105.19 102.66 2brw n GLY 187 Ca -0.10 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2brw n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2brw n ASN 188 N -2.57 0.54 0.12 1.61 3.02 -1.26 -1.18 115.26 115.53 2brw n ASN 188 Ca -0.05 0.73 -0.03 0.00 -0.03 0.00 0.00 54.58 55.20 2brw n ASN 188 Cb 0.57 -0.81 0.15 0.00 -0.61 0.00 0.00 39.78 39.09 2brw n ASN 188 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2brw h GLN 189 N 0.00 0.08 -0.00 3.52 3.07 -1.91 -2.85 115.11 117.01 2brw h GLN 189 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 2brw h GLN 189 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.63 2brw h GLN 189 CO 0.00 0.68 -0.16 0.66 0.09 0.00 0.00 178.83 180.10 2brw n TYR 190 N -3.82 0.00 -1.59 0.06 4.01 -0.32 -4.97 117.16 110.53 2brw n TYR 190 Ca -0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.27 2brw n TYR 190 Cb 0.62 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 39.33 2brw n TYR 190 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2brw n TYR 191 N -1.26 1.31 -3.62 -0.72 9.36 -1.08 -4.95 117.16 116.20 2brw n TYR 191 Ca 0.10 0.69 -0.26 0.00 3.32 0.00 0.00 57.90 61.75 2brw n TYR 191 Cb 0.31 -2.27 -0.17 0.00 -0.63 0.00 0.00 39.34 36.58 2brw n TYR 191 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2brw s ASP 192 N -0.40 2.36 -0.10 2.98 -1.08 -1.26 -5.02 116.67 114.15 2brw s ASP 192 Ca 0.62 -0.62 -0.02 0.00 -0.52 0.00 0.00 52.55 52.01 2brw s ASP 192 Cb -0.73 -0.26 -0.03 0.00 -1.46 0.00 0.00 42.92 40.44 2brw s ASP 192 CO 0.58 -0.35 2.52 -1.54 0.52 0.00 0.00 175.17 176.90 2brw n SER 193 N 5.27 5.64 0.00 -0.34 3.41 -1.26 -3.23 113.62 123.11 2brw n SER 193 Ca -0.07 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 2brw n SER 193 Cb 0.49 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2brw n SER 193 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2brw n LYS 194 N 1.49 0.02 -4.12 4.33 5.02 -1.26 -4.99 118.16 118.65 2brw n LYS 194 Ca 0.22 -0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.16 2brw n LYS 194 Cb 0.63 -0.10 -0.09 0.00 -0.02 0.00 0.00 35.03 35.45 2brw n LYS 194 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2brw s ASN 195 N -0.00 5.60 0.00 4.39 3.84 -1.20 -4.96 114.94 122.61 2brw s ASN 195 Ca 0.00 0.17 0.00 0.00 0.21 0.00 0.00 52.86 53.24 2brw s ASN 195 Cb 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 41.25 38.89 2brw s ASN 195 CO 0.00 0.29 0.68 -0.67 -2.79 0.00 0.00 177.10 174.61 2brw n ASP 196 N 2.78 0.00 -0.07 -4.21 2.03 -1.26 -2.06 116.55 113.76 2brw n ASP 196 Ca -0.18 0.22 -0.10 0.00 0.52 0.00 0.00 54.79 55.25 2brw n ASP 196 Cb 0.53 -0.22 -0.06 0.00 -0.72 0.00 0.00 41.12 40.66 2brw n ASP 196 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2brw n GLN 197 N -1.18 0.32 -0.03 -0.67 -0.06 -1.26 -4.31 117.38 110.20 2brw n GLN 197 Ca 0.00 0.08 -0.13 0.00 -2.00 0.00 0.00 57.00 54.95 2brw n GLN 197 Cb 0.04 -1.22 -0.10 0.00 -4.06 0.00 0.00 30.24 24.89 2brw n GLN 197 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2brw h MET 198 N -0.07 0.05 -0.34 3.69 2.86 -1.78 -2.52 114.93 116.83 2brw h MET 198 Ca -0.30 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.40 2brw h MET 198 Cb 1.43 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 2brw h MET 198 CO -0.07 0.63 0.33 0.00 1.06 0.00 0.00 176.91 178.87 2brw h ALA 199 N 0.42 2.06 0.13 6.32 0.00 -1.56 -1.28 119.26 125.33 2brw h ALA 199 Ca -0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2brw h ALA 199 Cb 0.64 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.47 2brw h ALA 199 CO 0.01 -0.51 -0.83 -0.22 0.00 0.00 0.00 179.25 177.70 2brw h LYS 200 N 0.00 0.34 -0.60 0.00 3.64 -1.72 -2.95 116.57 115.28 2brw h LYS 200 Ca 0.16 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2brw h LYS 200 Cb 0.83 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2brw h LYS 200 CO -0.00 1.24 0.39 -0.07 -2.27 0.00 0.00 179.45 178.73 2brw h LEU 201 N -0.28 0.70 -1.03 5.20 3.38 -0.83 -1.51 115.31 120.94 2brw h LEU 201 Ca -0.14 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2brw h LEU 201 Cb 1.63 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.14 2brw h LEU 201 CO 0.16 0.52 0.64 -1.13 0.09 0.00 0.00 178.44 178.72 2brw h ASN 202 N 0.81 1.04 -0.02 -0.43 -0.73 -1.35 -1.43 115.58 113.47 2brw h ASN 202 Ca 0.22 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 2brw h ASN 202 Cb -0.07 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.30 2brw h ASN 202 CO -0.05 0.68 -0.04 1.56 -0.37 0.00 0.00 177.43 179.21 2brw h GLN 203 N 1.18 0.06 -1.16 6.67 4.20 -1.27 0.19 115.11 124.99 2brw h GLN 203 Ca 0.42 -0.04 0.37 0.00 0.06 0.00 0.00 58.65 59.46 2brw h GLN 203 Cb 0.13 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 27.79 2brw h GLN 203 CO -0.16 0.64 0.72 1.49 -0.67 0.00 0.00 178.83 180.85 2brw h GLU 204 N -0.51 0.19 0.04 1.46 4.81 -0.94 0.73 114.58 120.36 2brw h GLU 204 Ca -0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2brw h GLU 204 Cb 0.64 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2brw h GLU 204 CO 0.01 0.12 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.10 2brw h LEU 205 N 0.19 0.12 -0.55 1.64 3.38 -0.95 -2.55 115.31 116.59 2brw h LEU 205 Ca 0.76 -0.98 0.11 0.00 0.09 0.00 0.00 57.88 57.86 2brw h LEU 205 Cb 2.13 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 42.73 2brw h LEU 205 CO -0.48 1.12 -0.25 -0.33 0.09 0.00 0.00 178.44 178.59 2brw h GLU 206 N -0.83 -0.11 -0.09 1.13 4.39 0.27 0.81 114.58 120.15 2brw h GLU 206 Ca -0.05 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.67 2brw h GLU 206 Cb 1.18 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2brw h GLU 206 CO 0.04 -0.07 0.02 0.78 -1.16 0.00 0.00 179.01 178.61 2brw h GLY 207 N -0.11 0.10 0.73 -3.84 0.00 0.15 -0.99 103.07 99.10 2brw h GLY 207 Ca 0.25 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.61 2brw h GLY 207 CO -0.62 0.00 0.24 0.50 0.00 0.00 0.00 176.54 176.66 2brw h LYS 208 N 0.06 0.47 -0.39 4.80 1.57 -0.35 -1.00 116.57 121.72 2brw h LYS 208 Ca 0.04 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2brw h LYS 208 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2brw h LYS 208 CO -0.05 0.31 -0.07 0.28 -0.57 0.00 0.00 179.45 179.34 2brw h VAL 209 N 0.48 1.24 0.53 0.50 2.07 0.67 -1.78 116.25 119.95 2brw h VAL 209 Ca 0.22 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 2brw h VAL 209 Cb 0.13 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2brw h VAL 209 CO -0.16 0.35 -0.30 0.00 0.02 0.00 0.00 177.57 177.48 2brw h ALA 210 N 1.31 -1.16 0.00 1.67 0.00 -0.16 0.43 119.26 121.35 2brw h ALA 210 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2brw h ALA 210 Cb 0.49 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2brw h ALA 210 CO 0.03 -1.12 0.00 0.38 0.00 0.00 0.00 179.25 178.54 2brw h ASP 211 N -0.77 0.00 0.23 0.00 2.03 -1.23 -1.38 116.42 115.30 2brw h ASP 211 Ca -0.07 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 55.94 2brw h ASP 211 Cb 0.61 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.13 2brw h ASP 211 CO 0.08 0.00 -1.23 0.28 -1.03 0.00 0.00 179.24 177.35 2brw h SER 212 N 0.00 0.78 0.62 4.15 0.02 -1.02 -2.18 113.55 115.92 2brw h SER 212 Ca 0.00 -0.73 -0.14 0.00 -0.84 0.00 0.00 61.79 60.09 2brw h SER 212 Cb 0.23 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2brw h SER 212 CO 0.00 1.54 -0.65 -0.07 -1.14 0.00 0.00 176.83 176.51 2brw h LEU 213 N 0.24 0.03 0.00 5.07 3.38 0.05 -2.37 115.31 121.71 2brw h LEU 213 Ca -0.17 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2brw h LEU 213 Cb 1.90 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2brw h LEU 213 CO 0.23 0.67 -0.58 0.77 0.09 0.00 0.00 178.44 179.61 2brw h SER 214 N 0.02 0.00 0.18 -0.43 4.64 -1.35 -3.33 113.55 113.28 2brw h SER 214 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2brw h SER 214 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2brw h SER 214 CO 0.09 0.24 -1.11 -1.54 -0.87 0.00 0.00 176.83 173.63 2brw n SER 215 N -3.01 0.68 -4.72 4.97 3.41 -0.82 -4.98 113.62 109.15 2brw n SER 215 Ca 0.00 -0.54 -0.36 0.00 -0.26 0.00 0.00 58.87 57.71 2brw n SER 215 Cb 0.64 1.02 0.08 0.00 -0.26 0.00 0.00 64.21 65.69 2brw n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2brw n ILE 216 N -1.75 4.46 -2.97 -1.33 3.06 -0.90 -4.73 119.36 115.20 2brw n ILE 216 Ca 0.02 -0.45 -0.44 0.00 -2.50 0.00 0.00 62.75 59.39 2brw n ILE 216 Cb 0.40 -1.44 -0.04 0.00 0.54 0.00 0.00 39.64 39.10 2brw n ILE 216 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2brw s SER 217 N -1.51 6.32 -1.28 9.51 0.15 0.20 -4.95 113.70 122.13 2brw s SER 217 Ca 0.81 -1.46 -0.09 0.00 0.70 0.00 0.00 55.95 55.92 2brw s SER 217 Cb -0.36 -2.37 0.17 0.00 -1.71 0.00 0.00 66.02 61.74 2brw s SER 217 CO 0.42 -1.22 1.94 -1.20 1.20 0.00 0.00 173.24 174.38 2brw n SER 218 N 6.86 5.57 -4.34 5.45 7.64 -1.26 -4.85 113.62 128.69 2brw n SER 218 Ca 0.02 -3.13 -0.18 0.00 1.01 0.00 0.00 58.87 56.59 2brw n SER 218 Cb 0.46 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 62.10 2brw n SER 218 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2brw s GLN 219 N 0.02 1.31 0.12 1.43 -0.21 -1.26 -5.04 119.66 116.03 2brw s GLN 219 Ca 0.41 -1.59 0.27 0.00 0.02 0.00 0.00 55.36 54.47 2brw s GLN 219 Cb 0.11 -1.03 0.94 0.00 1.00 0.00 0.00 33.01 34.02 2brw s GLN 219 CO -0.00 0.14 1.80 0.00 -2.12 0.00 0.00 175.29 175.11 2brw n ALA 220 N -0.37 2.38 -2.09 6.09 0.00 -1.26 -3.34 120.51 121.91 2brw n ALA 220 Ca -0.08 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2brw n ALA 220 Cb 0.61 -1.44 0.10 0.00 0.00 0.00 0.00 19.45 18.71 2brw n ALA 220 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2brw n ASP 221 N -1.94 1.27 -4.66 0.00 5.75 -1.26 -5.08 116.55 110.63 2brw n ASP 221 Ca 0.06 -2.77 -0.45 0.00 -0.01 0.00 0.00 54.79 51.62 2brw n ASP 221 Cb 0.39 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 2brw n ASP 221 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2brw n ARG 222 N -0.20 1.90 0.00 0.11 1.85 -1.21 -4.87 116.66 114.24 2brw n ARG 222 Ca 0.11 0.67 0.11 0.00 -1.00 0.00 0.00 57.85 57.74 2brw n ARG 222 Cb 0.94 -2.27 -0.03 0.00 -1.05 0.00 0.00 32.46 30.05 2brw n ARG 222 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2brw n ILE 223 N 1.41 0.03 -3.56 8.89 3.06 -1.26 -4.94 119.36 122.99 2brw n ILE 223 Ca 0.10 -0.09 -0.17 0.00 -2.50 0.00 0.00 62.75 60.10 2brw n ILE 223 Cb 0.32 0.63 -0.06 0.00 0.54 0.00 0.00 39.64 41.06 2brw n ILE 223 CO 0.00 0.00 0.00 -0.72 -2.50 0.00 0.00 176.55 173.33 2brw s TYR 224 N -3.08 -0.55 -0.07 9.51 -0.85 -1.26 -5.07 117.35 115.98 2brw s TYR 224 Ca 0.06 0.88 -0.19 0.00 -0.52 0.00 0.00 57.07 57.31 2brw s TYR 224 Cb 0.16 0.36 -0.14 0.00 0.38 0.00 0.00 41.96 42.71 2brw s TYR 224 CO 0.83 -0.59 0.71 -0.07 -1.52 0.00 0.00 175.55 174.90 2brw h LEU 225 N 3.06 -0.14 -8.44 -3.49 3.38 -1.91 -3.41 115.31 104.37 2brw h LEU 225 Ca -0.28 -0.38 -0.67 0.00 0.09 0.00 0.00 57.88 56.64 2brw h LEU 225 Cb 1.16 0.04 -0.31 0.00 0.09 0.00 0.00 40.66 41.63 2brw h LEU 225 CO 0.39 0.46 -0.88 0.26 0.09 0.00 0.00 178.44 178.77 2brw s TRP 226 N -2.94 2.32 0.22 1.13 0.51 -1.26 0.58 118.94 119.50 2brw s TRP 226 Ca -0.11 -0.69 0.16 0.00 -2.12 0.00 0.00 56.10 53.34 2brw s TRP 226 Cb -0.00 -1.52 0.59 0.00 -0.81 0.00 0.00 33.47 31.72 2brw s TRP 226 CO 0.42 -0.21 1.71 1.49 -0.51 0.00 0.00 176.95 179.85 2brw h GLU 227 N 6.10 0.00 0.00 4.98 4.81 -1.87 -1.76 114.58 126.84 2brw h GLU 227 Ca -0.32 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 2brw h GLU 227 Cb 1.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2brw h GLU 227 CO 0.47 0.45 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.89 2brw h LYS 228 N 0.00 0.00 -0.67 1.92 3.64 -1.96 -2.87 116.57 116.63 2brw h LYS 228 Ca -0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.98 2brw h LYS 228 Cb 0.94 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.34 2brw h LYS 228 CO 0.06 0.09 -0.99 1.19 -2.27 0.00 0.00 179.45 177.53 2brw n PHE 229 N -3.41 1.96 0.02 1.91 3.72 -1.06 -4.91 117.46 115.68 2brw n PHE 229 Ca -0.01 -2.29 -0.12 0.00 -0.05 0.00 0.00 57.45 54.98 2brw n PHE 229 Cb 0.25 -0.27 -0.09 0.00 -0.94 0.00 0.00 39.48 38.42 2brw n PHE 229 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2brw h SER 230 N 2.48 -0.10 -1.48 4.37 4.64 -1.09 -3.43 113.55 118.94 2brw h SER 230 Ca 0.09 -0.47 -0.40 0.00 -0.47 0.00 0.00 61.79 60.53 2brw h SER 230 Cb 1.34 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 2brw h SER 230 CO 0.47 0.48 1.21 0.21 -0.87 0.00 0.00 176.83 178.33 2brw s ASN 231 N -5.63 4.76 0.00 4.97 2.47 -1.26 -4.81 114.94 115.45 2brw s ASN 231 Ca -0.15 0.45 0.08 0.00 0.42 0.00 0.00 52.86 53.66 2brw s ASN 231 Cb 0.01 -2.52 0.48 0.00 -1.45 0.00 0.00 41.25 37.76 2brw s ASN 231 CO 0.58 -2.81 1.17 -1.22 -3.72 0.00 0.00 177.10 171.10 2brw n TYR 232 N 14.86 0.00 0.50 0.43 4.01 -1.26 -2.63 117.16 133.07 2brw n TYR 232 Ca 0.32 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.19 2brw n TYR 232 Cb 0.51 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.81 2brw n TYR 232 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2brw h LYS 233 N 0.00 0.00 -4.24 -0.72 1.57 -1.91 -3.39 116.57 107.87 2brw h LYS 233 Ca 0.00 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.03 2brw h LYS 233 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.08 2brw h LYS 233 CO 0.00 0.00 -0.04 0.99 -0.57 0.00 0.00 179.45 179.83 2brw s THR 234 N -3.16 5.15 0.48 -0.16 2.01 -1.08 -4.36 115.64 114.52 2brw s THR 234 Ca 0.08 -1.52 0.36 0.00 0.31 0.00 0.00 61.69 60.92 2brw s THR 234 Cb 0.11 -4.42 0.56 0.00 0.01 0.00 0.00 72.50 68.76 2brw s THR 234 CO 0.66 -0.99 1.63 0.77 -0.69 0.00 0.00 174.62 176.00 2brw h SER 235 N 8.80 0.16 -0.26 3.53 4.64 -1.77 0.46 113.55 129.11 2brw h SER 235 Ca -0.22 0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.26 2brw h SER 235 Cb 1.08 0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2brw h SER 235 CO 1.01 -0.12 0.21 0.00 -0.87 0.00 0.00 176.83 177.07 2brw h ALA 236 N 1.43 2.13 0.00 5.18 0.00 -1.92 -0.58 119.26 125.51 2brw h ALA 236 Ca 0.82 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.62 2brw h ALA 236 Cb 2.84 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.64 2brw h ALA 236 CO -0.28 -0.35 -0.50 -0.91 0.00 0.00 0.00 179.25 177.21 2brw h ASN 237 N 0.00 0.00 -0.11 0.00 -0.26 -0.36 -1.66 115.58 113.19 2brw h ASN 237 Ca 0.12 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.81 2brw h ASN 237 Cb 0.55 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.81 2brw h ASN 237 CO -0.00 0.50 -0.16 -0.07 -1.06 0.00 0.00 177.43 176.64 2brw h LEU 238 N 0.00 0.33 -0.35 1.61 3.38 -1.23 -2.55 115.31 116.50 2brw h LEU 238 Ca -0.01 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 2brw h LEU 238 Cb 0.90 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2brw h LEU 238 CO 0.07 0.79 0.20 0.74 0.09 0.00 0.00 178.44 180.32 2brw h THR 239 N -0.12 1.13 -0.41 0.22 2.02 -1.45 -2.53 112.91 111.76 2brw h THR 239 Ca 0.01 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.89 2brw h THR 239 Cb 0.71 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2brw h THR 239 CO 0.04 0.13 0.24 0.00 0.37 0.00 0.00 175.52 176.30 2brw h ALA 240 N 1.07 0.52 -0.07 6.16 0.00 -1.36 -1.53 119.26 124.05 2brw h ALA 240 Ca 0.12 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2brw h ALA 240 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2brw h ALA 240 CO -0.02 -0.08 -0.15 1.15 0.00 0.00 0.00 179.25 180.14 2brw h THR 241 N 0.49 0.61 0.00 0.00 2.02 -1.28 -2.00 112.91 112.75 2brw h THR 241 Ca 0.16 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 2brw h THR 241 Cb 0.00 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2brw h THR 241 CO -0.07 0.00 -0.19 1.88 0.37 0.00 0.00 175.52 177.50 2brw h TYR 242 N -0.21 0.00 0.00 3.16 0.05 -1.30 -2.47 116.97 116.20 2brw h TYR 242 Ca 0.07 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.78 2brw h TYR 242 Cb 0.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 2brw h TYR 242 CO -0.24 0.19 -0.36 0.00 -1.05 0.00 0.00 178.16 176.70 2brw h ARG 243 N 0.00 0.00 -0.06 4.88 3.08 -0.54 -1.44 114.38 120.29 2brw h ARG 243 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2brw h ARG 243 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2brw h ARG 243 CO 0.03 0.36 -0.67 0.87 -1.07 0.00 0.00 179.97 179.49 2brw h LYS 244 N 0.00 0.27 -0.38 0.04 1.57 -1.07 -1.17 116.57 115.83 2brw h LYS 244 Ca -0.00 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 2brw h LYS 244 Cb 0.68 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2brw h LYS 244 CO 0.05 0.84 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.60 2brw h LEU 245 N 0.19 0.74 -0.71 2.94 3.38 -1.37 -1.09 115.31 119.39 2brw h LEU 245 Ca -0.02 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2brw h LEU 245 Cb 1.20 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2brw h LEU 245 CO 0.11 0.93 0.37 -0.08 0.09 0.00 0.00 178.44 179.85 2brw h GLU 246 N 0.53 1.00 -0.39 1.13 4.81 -1.12 0.45 114.58 120.99 2brw h GLU 246 Ca 0.10 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2brw h GLU 246 Cb 0.61 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2brw h GLU 246 CO 0.04 0.76 0.16 0.93 -0.73 0.00 0.00 179.01 180.17 2brw h GLU 247 N 0.98 0.55 -0.27 1.92 5.08 -1.00 0.46 114.58 122.30 2brw h GLU 247 Ca 0.25 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 2brw h GLU 247 Cb 0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2brw h GLU 247 CO -0.04 0.45 -0.48 0.52 -1.00 0.00 0.00 179.01 178.47 2brw h MET 248 N 0.55 0.74 -0.36 2.33 2.86 0.18 -3.05 114.93 118.17 2brw h MET 248 Ca 0.14 -0.43 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 2brw h MET 248 Cb 0.11 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2brw h MET 248 CO -0.01 1.05 0.06 0.00 1.06 0.00 0.00 176.91 179.07 2brw h ALA 249 N 0.88 1.44 -0.19 6.32 0.00 0.18 -1.98 119.26 125.90 2brw h ALA 249 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2brw h ALA 249 Cb 1.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2brw h ALA 249 CO 0.10 0.41 -0.15 0.87 0.00 0.00 0.00 179.25 180.48 2brw h LYS 250 N 0.53 0.44 -0.22 0.00 1.57 -0.95 -3.25 116.57 114.68 2brw h LYS 250 Ca 0.12 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 2brw h LYS 250 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2brw h LYS 250 CO 0.00 0.77 -0.39 1.96 -0.57 0.00 0.00 179.45 181.22 2brw h GLN 251 N 0.11 0.65 0.00 3.15 1.08 -1.46 -2.97 115.11 115.66 2brw h GLN 251 Ca 0.03 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 2brw h GLN 251 Cb 0.68 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2brw h GLN 251 CO 0.04 1.02 0.04 1.55 -0.95 0.00 0.00 178.83 180.53 2brw n VAL 252 N -4.23 1.47 -1.23 -0.54 3.14 -0.75 -0.92 118.33 115.26 2brw n VAL 252 Ca -0.05 0.61 0.09 0.00 -2.96 0.00 0.00 64.34 62.02 2brw n VAL 252 Cb 0.53 -1.61 0.13 0.00 -1.06 0.00 0.00 33.84 31.84 2brw n VAL 252 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2brw n THR 253 N -1.80 1.72 -3.79 1.55 -2.24 -1.13 -1.83 114.28 106.75 2brw n THR 253 Ca -0.01 -2.13 -0.37 0.00 -2.27 0.00 0.00 64.05 59.27 2brw n THR 253 Cb 0.05 -0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.01 2brw n THR 253 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2brw s ASN 254 N -2.72 5.21 0.64 3.42 3.04 -0.10 -4.80 114.94 119.63 2brw s ASN 254 Ca 0.30 -1.58 0.20 0.00 0.04 0.00 0.00 52.86 51.81 2brw s ASN 254 Cb 0.26 -1.82 0.94 0.00 -1.54 0.00 0.00 41.25 39.09 2brw s ASN 254 CO 0.01 -0.42 1.49 -0.65 -3.04 0.00 0.00 177.10 174.49 2brw h PRO 255 N 8.11 0.00 -0.00 0.43 0.11 -1.87 0.29 132.00 139.07 2brw h PRO 255 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2brw h PRO 255 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2brw h PRO 255 CO 0.64 0.00 -0.62 0.43 -0.21 0.00 0.00 178.00 178.24 2brw n SER 256 N -3.02 0.81 -4.82 -2.05 7.64 -1.26 -4.91 113.62 106.01 2brw n SER 256 Ca 0.07 -0.63 -0.33 0.00 1.01 0.00 0.00 58.87 58.99 2brw n SER 256 Cb 0.90 0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 64.54 2brw n SER 256 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2brw s SER 257 N -2.91 6.59 0.20 6.43 0.15 0.10 -4.94 113.70 119.32 2brw s SER 257 Ca 0.12 1.70 0.24 0.00 0.70 0.00 0.00 55.95 58.71 2brw s SER 257 Cb 0.17 -2.53 0.91 0.00 -1.71 0.00 0.00 66.02 62.86 2brw s SER 257 CO 0.72 -0.61 1.74 -2.11 1.20 0.00 0.00 173.24 174.18 2brw n ARG 258 N -1.20 0.19 -0.59 5.44 1.85 -1.26 -2.26 116.66 118.83 2brw n ARG 258 Ca 0.07 0.30 0.09 0.00 -1.00 0.00 0.00 57.85 57.31 2brw n ARG 258 Cb 0.54 -1.79 0.35 0.00 -1.05 0.00 0.00 32.46 30.50 2brw n ARG 258 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2brw n TYR 259 N -2.14 1.42 -1.86 2.89 4.01 -1.26 -4.89 117.16 115.33 2brw n TYR 259 Ca 0.04 -0.61 -0.43 0.00 -0.16 0.00 0.00 57.90 56.74 2brw n TYR 259 Cb 0.31 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 2brw n TYR 259 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2brw s TYR 260 N -1.81 1.60 -1.01 -0.72 5.04 -0.96 -2.19 117.35 117.31 2brw s TYR 260 Ca 0.50 0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 55.61 2brw s TYR 260 Cb 0.32 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.59 2brw s TYR 260 CO 0.24 -3.54 0.21 1.04 -1.34 0.00 0.00 175.55 172.17 2brw n GLN 261 N 8.34 -2.14 -2.71 4.97 6.02 -0.76 -4.97 117.38 126.13 2brw n GLN 261 Ca 0.24 0.58 -0.43 0.00 -0.01 0.00 0.00 57.00 57.39 2brw n GLN 261 Cb 0.45 -4.74 -0.02 0.00 1.02 0.00 0.00 30.24 26.95 2brw n GLN 261 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2brw s ASP 262 N -2.65 7.05 0.48 1.08 -1.08 -0.93 -4.92 116.67 115.69 2brw s ASP 262 Ca 0.10 1.31 0.19 0.00 -0.52 0.00 0.00 52.55 53.64 2brw s ASP 262 Cb -0.05 -2.52 1.18 0.00 -1.46 0.00 0.00 42.92 40.08 2brw s ASP 262 CO 0.13 -0.63 2.03 -0.33 0.52 0.00 0.00 175.17 176.89 2brw h GLU 263 N 7.49 0.00 -0.27 4.34 5.08 -1.93 -1.75 114.58 127.54 2brw h GLU 263 Ca -0.20 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2brw h GLU 263 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2brw h GLU 263 CO 0.95 0.15 -0.02 1.15 -1.00 0.00 0.00 179.01 180.25 2brw h THR 264 N 0.00 1.27 0.11 1.13 2.02 -1.98 -0.58 112.91 114.87 2brw h THR 264 Ca -0.00 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 2brw h THR 264 Cb 0.30 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2brw h THR 264 CO 0.02 0.31 -0.05 0.58 0.37 0.00 0.00 175.52 176.75 2brw h VAL 265 N 0.26 1.05 -0.10 3.16 2.07 -1.85 0.15 116.25 120.99 2brw h VAL 265 Ca 0.07 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.04 2brw h VAL 265 Cb 0.46 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 2brw h VAL 265 CO 0.02 0.14 -0.32 0.58 0.02 0.00 0.00 177.57 178.01 2brw h VAL 266 N -0.42 0.30 -0.97 2.57 2.07 -1.34 0.11 116.25 118.57 2brw h VAL 266 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 2brw h VAL 266 Cb 0.35 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 2brw h VAL 266 CO 0.02 0.00 0.61 -0.09 0.02 0.00 0.00 177.57 178.13 2brw h ARG 267 N -0.41 1.00 -0.52 1.57 2.43 -1.04 -0.82 114.38 116.58 2brw h ARG 267 Ca 0.09 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2brw h ARG 267 Cb 0.55 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2brw h ARG 267 CO -0.33 0.66 0.31 1.15 -1.51 0.00 0.00 179.97 180.25 2brw h THR 268 N 1.03 1.16 0.26 0.20 2.02 0.12 0.52 112.91 118.22 2brw h THR 268 Ca 0.45 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2brw h THR 268 Cb 0.33 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2brw h THR 268 CO -0.22 0.17 -0.12 0.58 0.37 0.00 0.00 175.52 176.29 2brw h VAL 269 N 0.70 0.77 -0.72 3.16 2.07 -0.19 0.19 116.25 122.22 2brw h VAL 269 Ca 0.19 -0.67 0.15 0.00 0.82 0.00 0.00 66.70 67.19 2brw h VAL 269 Cb -0.00 1.13 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 2brw h VAL 269 CO -0.03 0.13 0.17 0.03 0.02 0.00 0.00 177.57 177.89 2brw h ARG 270 N -0.72 0.26 -0.12 1.57 3.08 -1.09 0.27 114.38 117.63 2brw h ARG 270 Ca -0.04 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 2brw h ARG 270 Cb 0.49 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2brw h ARG 270 CO 0.06 0.17 -0.67 -0.44 -1.07 0.00 0.00 179.97 178.02 2brw h ASP 271 N 0.26 0.54 -0.52 7.04 5.19 -0.86 -2.49 116.42 125.60 2brw h ASP 271 Ca 0.40 -0.33 -0.12 0.00 -0.62 0.00 0.00 57.03 56.36 2brw h ASP 271 Cb 0.68 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 2brw h ASP 271 CO -0.50 1.06 -0.14 0.28 -3.12 0.00 0.00 179.24 176.81 2brw h SER 272 N 0.33 1.03 -0.55 6.45 0.02 0.73 -1.72 113.55 119.84 2brw h SER 272 Ca -0.02 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 2brw h SER 272 Cb 1.23 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2brw h SER 272 CO 0.12 1.16 0.26 0.24 -1.14 0.00 0.00 176.83 177.46 2brw h MET 273 N 0.90 0.80 0.20 3.45 2.86 -0.50 -0.95 114.93 121.69 2brw h MET 273 Ca 0.13 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2brw h MET 273 Cb 0.72 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2brw h MET 273 CO 0.05 0.66 -0.10 1.49 1.06 0.00 0.00 176.91 180.08 2brw h GLU 274 N 0.75 -0.26 -0.47 1.72 4.57 -1.29 0.47 114.58 120.06 2brw h GLU 274 Ca 0.19 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.47 2brw h GLU 274 Cb 0.13 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 2brw h GLU 274 CO -0.02 -0.04 0.05 2.35 -1.18 0.00 0.00 179.01 180.17 2brw h TRP 275 N -0.46 0.06 -0.06 0.92 7.01 -1.24 -0.47 115.95 121.72 2brw h TRP 275 Ca -0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2brw h TRP 275 Cb 0.35 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2brw h TRP 275 CO -0.01 -0.05 0.04 0.52 -2.79 0.00 0.00 178.44 176.14 2brw h MET 276 N 0.17 0.08 -1.00 2.65 2.86 -1.04 0.16 114.93 118.82 2brw h MET 276 Ca 0.24 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.02 2brw h MET 276 Cb 0.33 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 2brw h MET 276 CO -0.35 0.11 0.62 1.25 1.06 0.00 0.00 176.91 179.61 2brw h HIS 277 N 0.03 1.09 0.17 -0.22 -0.00 -0.21 0.24 115.15 116.25 2brw h HIS 277 Ca 0.02 0.03 -0.25 0.00 -0.00 0.00 0.00 60.37 60.18 2brw h HIS 277 Cb 0.05 -0.34 0.03 0.00 -0.00 0.00 0.00 27.41 27.15 2brw h HIS 277 CO -0.05 0.36 -1.08 -0.22 -0.00 0.00 0.00 177.93 176.94 2brw h LYS 278 N 0.89 0.42 -0.02 5.26 1.63 -0.74 -3.39 116.57 120.61 2brw h LYS 278 Ca 0.52 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2brw h LYS 278 Cb 0.66 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2brw h LYS 278 CO -0.30 1.32 0.00 0.72 -3.45 0.00 0.00 179.45 177.74 2brw n HIS 279 N -3.96 0.01 0.00 1.91 8.25 0.53 -4.91 115.22 117.04 2brw n HIS 279 Ca -0.15 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2brw n HIS 279 Cb 0.93 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 2brw n HIS 279 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2brw n VAL 280 N 0.74 0.00 -3.86 1.59 0.31 0.75 -5.03 118.33 112.82 2brw n VAL 280 Ca 0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.11 2brw n VAL 280 Cb 0.33 -0.28 -0.15 0.00 -0.91 0.00 0.00 33.84 32.83 2brw n VAL 280 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2brw s TYR 281 N -1.60 2.27 0.38 3.52 5.04 -0.67 -4.95 117.35 121.34 2brw s TYR 281 Ca 0.00 -1.87 -0.08 0.00 -2.44 0.00 0.00 57.07 52.68 2brw s TYR 281 Cb 0.00 -1.80 0.03 0.00 0.35 0.00 0.00 41.96 40.54 2brw s TYR 281 CO 0.00 -0.82 0.65 0.27 -1.34 0.00 0.00 175.55 174.31 2brw n ASN 282 N 4.70 -1.85 0.30 4.32 2.04 -1.26 -4.27 115.26 119.23 2brw n ASN 282 Ca -0.06 -2.80 0.18 0.00 -0.44 0.00 0.00 54.58 51.47 2brw n ASN 282 Cb 0.43 3.23 0.90 0.00 -2.53 0.00 0.00 39.78 41.81 2brw n ASN 282 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2brw h SER 283 N 2.03 0.00 0.58 0.53 0.02 -1.89 -2.83 113.55 111.99 2brw h SER 283 Ca -0.31 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.50 2brw h SER 283 Cb 1.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 2brw h SER 283 CO 0.41 0.03 -0.66 -0.33 -1.14 0.00 0.00 176.83 175.14 2brw h GLU 284 N 0.00 0.07 -6.99 3.45 5.08 -1.97 -3.46 114.58 110.76 2brw h GLU 284 Ca -0.00 -0.05 -0.48 0.00 -1.00 0.00 0.00 59.36 57.83 2brw h GLU 284 Cb 0.28 0.01 0.04 0.00 0.50 0.00 0.00 28.75 29.58 2brw h GLU 284 CO 0.00 0.70 0.12 0.21 -1.00 0.00 0.00 179.01 179.04 2brw s LYS 285 N -3.56 3.18 0.38 2.33 2.20 -1.07 -5.10 119.74 118.11 2brw s LYS 285 Ca -0.02 0.02 0.08 0.00 -0.36 0.00 0.00 55.97 55.69 2brw s LYS 285 Cb 0.12 -2.35 -0.05 0.00 -1.51 0.00 0.00 37.83 34.04 2brw s LYS 285 CO 0.78 -0.45 0.13 -1.12 -0.36 0.00 0.00 175.35 174.33 2brw s SER 286 N -4.21 4.45 -0.15 1.43 0.01 -1.26 -4.91 113.70 109.05 2brw s SER 286 Ca 0.51 -0.97 -0.29 0.00 1.31 0.00 0.00 55.95 56.50 2brw s SER 286 Cb -0.10 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 2brw s SER 286 CO 0.44 -0.41 1.61 -0.63 0.41 0.00 0.00 173.24 174.66 2brw s ILE 287 N -2.53 3.70 -0.18 1.44 1.01 -1.26 -4.96 121.20 118.41 2brw s ILE 287 Ca 0.39 0.82 0.01 0.00 0.00 0.00 0.00 60.65 61.86 2brw s ILE 287 Cb 0.01 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.89 2brw s ILE 287 CO 0.22 -0.18 -0.11 -0.69 0.00 0.00 0.00 174.94 174.18 2brw s VAL 288 N 4.64 1.59 0.00 2.92 1.01 -1.26 -4.99 120.40 124.31 2brw s VAL 288 Ca 0.71 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2brw s VAL 288 Cb -0.28 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2brw s VAL 288 CO 0.28 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2brw n GLY 289 N 4.72 0.70 3.51 4.51 0.00 -1.26 -4.09 105.19 113.28 2brw n GLY 289 Ca -0.15 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 2brw n GLY 289 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2brw s ASN 290 N -4.00 5.71 0.38 1.61 2.47 -1.26 -4.96 114.94 114.88 2brw s ASN 290 Ca 0.00 -0.24 0.15 0.00 0.42 0.00 0.00 52.86 53.18 2brw s ASN 290 Cb 0.00 -2.05 0.99 0.00 -1.45 0.00 0.00 41.25 38.74 2brw s ASN 290 CO 0.00 -0.11 1.80 4.11 -3.72 0.00 0.00 177.10 179.17 2brw h TRP 291 N 8.35 0.75 -1.00 0.43 5.08 -1.94 -0.69 115.95 126.92 2brw h TRP 291 Ca -0.35 0.02 0.19 0.00 1.08 0.00 0.00 58.89 59.84 2brw h TRP 291 Cb 1.17 -0.22 -0.11 0.00 -3.00 0.00 0.00 29.16 27.00 2brw h TRP 291 CO 0.70 0.13 0.61 2.35 -1.28 0.00 0.00 178.44 180.95 2brw h TRP 292 N 0.50 1.07 -0.23 0.12 7.01 -1.97 0.19 115.95 122.65 2brw h TRP 292 Ca 0.56 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.57 2brw h TRP 292 Cb 1.24 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 2brw h TRP 292 CO -0.00 0.23 0.07 -0.44 -2.79 0.00 0.00 178.44 175.51 2brw h ASP 293 N 0.76 0.35 0.96 2.65 3.32 -1.46 0.24 116.42 123.24 2brw h ASP 293 Ca 0.58 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 2brw h ASP 293 Cb 0.90 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2brw h ASP 293 CO -0.38 0.46 -0.46 1.88 -1.72 0.00 0.00 179.24 179.01 2brw h TYR 294 N 0.21 0.00 0.00 4.55 -1.99 -1.36 0.37 116.97 118.76 2brw h TYR 294 Ca 0.08 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.60 2brw h TYR 294 Cb 0.25 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.94 2brw h TYR 294 CO 0.01 0.46 -2.12 0.39 -0.00 0.00 0.00 178.16 176.90 2brw n GLU 295 N -3.49 0.84 0.04 4.88 1.02 0.58 -4.47 120.64 120.04 2brw n GLU 295 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2brw n GLU 295 Cb 0.59 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2brw n GLU 295 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2brw n ILE 296 N -2.48 0.43 0.30 -3.67 5.41 0.72 -4.70 119.36 115.36 2brw n ILE 296 Ca -0.19 0.14 -0.17 0.00 1.00 0.00 0.00 62.75 63.53 2brw n ILE 296 Cb 0.87 -1.19 -0.09 0.00 -0.71 0.00 0.00 39.64 38.52 2brw n ILE 296 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2brw h GLY 297 N 0.00 -1.02 0.69 7.39 0.00 -1.20 -2.12 103.07 106.81 2brw h GLY 297 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 2brw h GLY 297 CO 0.00 -0.35 -0.07 -0.84 0.00 0.00 0.00 176.54 175.28 2brw h THR 298 N -0.90 1.34 -0.94 4.70 2.02 -0.48 -3.05 112.91 115.60 2brw h THR 298 Ca -0.06 -1.16 0.13 0.00 0.77 0.00 0.00 66.41 66.10 2brw h THR 298 Cb 0.77 1.87 -0.08 0.00 -1.74 0.00 0.00 68.15 68.98 2brw h THR 298 CO 0.00 0.33 0.60 -0.65 0.37 0.00 0.00 175.52 176.17 2brw h PRO 299 N -0.14 0.82 0.76 6.66 0.11 -1.73 -1.93 132.00 136.54 2brw h PRO 299 Ca 0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 2brw h PRO 299 Cb 0.56 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.49 2brw h PRO 299 CO 0.02 0.54 -0.36 0.00 -0.21 0.00 0.00 178.00 177.99 2brw h ARG 300 N 0.84 -0.98 -1.00 1.05 3.08 -1.36 -0.56 114.38 115.45 2brw h ARG 300 Ca 0.47 0.07 0.23 0.00 0.07 0.00 0.00 59.98 60.81 2brw h ARG 300 Cb 0.59 0.22 -0.10 0.00 0.08 0.00 0.00 29.97 30.76 2brw h ARG 300 CO -0.23 -0.64 0.62 0.00 -1.07 0.00 0.00 179.97 178.65 2brw h ALA 301 N -0.82 1.93 -0.29 0.04 0.00 -1.36 -0.10 119.26 118.67 2brw h ALA 301 Ca -0.10 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2brw h ALA 301 Cb 0.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2brw h ALA 301 CO 0.17 -0.32 -0.25 0.82 0.00 0.00 0.00 179.25 179.66 2brw h ILE 302 N 0.57 1.30 -0.15 0.00 2.04 -1.08 -0.73 117.51 119.47 2brw h ILE 302 Ca 0.59 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2brw h ILE 302 Cb 1.18 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 2brw h ILE 302 CO -0.35 0.45 0.08 0.78 0.00 0.00 0.00 178.15 179.11 2brw h ASN 303 N 0.42 0.19 0.16 1.72 2.35 0.58 -0.80 115.58 120.20 2brw h ASN 303 Ca 0.05 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2brw h ASN 303 Cb 0.82 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 2brw h ASN 303 CO 0.06 0.23 -0.28 0.78 -1.65 0.00 0.00 177.43 176.57 2brw h ASN 304 N 0.14 0.20 -0.26 5.81 2.35 -1.20 0.53 115.58 123.15 2brw h ASN 304 Ca 0.05 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 2brw h ASN 304 Cb 0.08 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2brw h ASN 304 CO -0.01 0.49 -0.47 0.74 -1.65 0.00 0.00 177.43 176.53 2brw h THR 305 N 0.18 1.29 -0.11 2.81 2.02 -0.91 -1.38 112.91 116.82 2brw h THR 305 Ca 0.03 -1.67 -0.24 0.00 0.77 0.00 0.00 66.41 65.30 2brw h THR 305 Cb 0.60 1.70 0.01 0.00 -1.74 0.00 0.00 68.15 68.73 2brw h THR 305 CO 0.04 0.54 -0.86 -0.07 0.37 0.00 0.00 175.52 175.54 2brw h LEU 306 N 0.53 0.93 -0.11 2.58 3.38 -0.85 -2.25 115.31 119.52 2brw h LEU 306 Ca 0.01 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 2brw h LEU 306 Cb 1.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2brw h LEU 306 CO 0.11 1.45 0.05 -1.28 0.09 0.00 0.00 178.44 178.86 2brw h SER 307 N 0.50 0.14 -0.90 -0.43 0.87 0.02 -0.54 113.55 113.21 2brw h SER 307 Ca -0.08 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2brw h SER 307 Cb 1.50 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 63.38 2brw h SER 307 CO 0.17 0.22 0.57 -0.07 -0.53 0.00 0.00 176.83 177.19 2brw h LEU 308 N 0.05 1.06 -3.83 2.23 3.38 -1.27 -2.98 115.31 113.94 2brw h LEU 308 Ca 0.04 -0.05 -0.54 0.00 0.09 0.00 0.00 57.88 57.41 2brw h LEU 308 Cb 0.12 -0.27 -0.29 0.00 0.09 0.00 0.00 40.66 40.31 2brw h LEU 308 CO -0.00 0.80 0.31 0.23 0.09 0.00 0.00 178.44 179.86 2brw n MET 309 N -4.42 2.67 0.10 1.13 2.81 -0.85 -4.65 117.12 113.92 2brw n MET 309 Ca 0.10 -3.42 0.08 0.00 -1.81 0.00 0.00 57.70 52.65 2brw n MET 309 Cb 0.04 -2.19 0.39 0.00 -0.71 0.00 0.00 33.22 30.75 2brw n MET 309 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2brw n LYS 310 N -0.95 0.10 0.00 0.03 2.85 -0.22 -0.58 118.16 119.39 2brw n LYS 310 Ca 0.53 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 58.45 2brw n LYS 310 Cb 0.96 -1.78 0.45 0.00 -0.65 0.00 0.00 35.03 34.01 2brw n LYS 310 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2brw n GLU 311 N -1.98 1.33 -0.07 -1.58 1.02 -1.26 -3.52 120.64 114.58 2brw n GLU 311 Ca 0.00 -0.79 0.05 0.00 -0.02 0.00 0.00 57.16 56.40 2brw n GLU 311 Cb 0.08 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.08 2brw n GLU 311 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2brw n TYR 312 N -0.14 0.00 -3.93 -0.32 4.01 0.25 -5.01 117.16 112.02 2brw n TYR 312 Ca 0.16 -0.68 -0.12 0.00 -0.16 0.00 0.00 57.90 57.10 2brw n TYR 312 Cb 0.36 -0.09 -0.14 0.00 -0.31 0.00 0.00 39.34 39.16 2brw n TYR 312 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2brw s PHE 313 N -1.77 0.11 0.54 -0.72 0.08 -1.11 -5.01 117.98 110.10 2brw s PHE 313 Ca 0.15 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 2brw s PHE 313 Cb 0.13 -0.07 -0.05 0.00 -0.57 0.00 0.00 43.02 42.46 2brw s PHE 313 CO 0.01 -0.02 0.94 -1.54 -0.10 0.00 0.00 175.22 174.52 2brw s SER 314 N -0.19 6.39 0.19 1.36 1.04 -1.26 -4.87 113.70 116.35 2brw s SER 314 Ca -0.01 1.34 -0.12 0.00 0.48 0.00 0.00 55.95 57.64 2brw s SER 314 Cb -0.01 -2.42 0.12 0.00 0.10 0.00 0.00 66.02 63.80 2brw s SER 314 CO -0.00 -0.68 1.85 0.44 0.98 0.00 0.00 173.24 175.83 2brw h ASP 315 N 0.34 0.78 -0.54 7.02 3.32 -1.97 0.79 116.42 126.16 2brw h ASP 315 Ca -0.46 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.63 2brw h ASP 315 Cb 1.19 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 2brw h ASP 315 CO 0.62 0.59 0.22 -0.08 -1.72 0.00 0.00 179.24 178.86 2brw h GLU 316 N 0.90 0.40 -0.32 3.56 4.81 -1.99 0.91 114.58 122.86 2brw h GLU 316 Ca 0.24 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2brw h GLU 316 Cb -0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2brw h GLU 316 CO -0.05 0.27 0.04 0.93 -0.73 0.00 0.00 179.01 179.47 2brw h GLU 317 N 0.42 0.54 -0.82 1.92 5.08 -1.75 -1.74 114.58 118.23 2brw h GLU 317 Ca 0.26 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2brw h GLU 317 Cb 0.26 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2brw h GLU 317 CO -0.24 0.64 0.50 0.82 -1.00 0.00 0.00 179.01 179.72 2brw h ILE 318 N 0.36 1.01 -0.53 3.13 2.04 -0.13 0.27 117.51 123.67 2brw h ILE 318 Ca 0.10 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2brw h ILE 318 Cb 0.37 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2brw h ILE 318 CO 0.01 0.16 0.15 0.50 0.00 0.00 0.00 178.15 178.97 2brw h LYS 319 N 0.90 0.80 -0.34 2.37 3.64 -0.67 -1.89 116.57 121.38 2brw h LYS 319 Ca 0.36 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 2brw h LYS 319 Cb 0.19 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2brw h LYS 319 CO -0.18 0.71 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.34 2brw h LYS 320 N 0.78 0.71 -0.00 1.90 3.64 0.17 -2.72 116.57 121.05 2brw h LYS 320 Ca 0.18 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2brw h LYS 320 Cb 0.26 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2brw h LYS 320 CO -0.01 0.91 -0.11 0.66 -2.27 0.00 0.00 179.45 178.63 2brw n TYR 321 N -4.34 0.00 0.25 1.91 4.01 0.68 -3.58 117.16 116.10 2brw n TYR 321 Ca -0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 2brw n TYR 321 Cb 0.39 -0.28 0.11 0.00 -0.31 0.00 0.00 39.34 39.24 2brw n TYR 321 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2brw n THR 322 N -1.21 0.39 0.01 -0.72 -2.24 -0.72 -4.50 114.28 105.29 2brw n THR 322 Ca 0.12 -0.70 -0.04 0.00 -2.27 0.00 0.00 64.05 61.16 2brw n THR 322 Cb 0.29 0.97 0.17 0.00 -2.10 0.00 0.00 70.33 69.66 2brw n THR 322 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2brw h ASP 323 N 2.54 0.51 0.60 3.42 3.45 -1.54 -2.72 116.42 122.67 2brw h ASP 323 Ca 0.00 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 2brw h ASP 323 Cb 0.64 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2brw h ASP 323 CO 0.00 0.79 -0.08 1.62 -1.57 0.00 0.00 179.24 180.00 2brw h VAL 324 N 0.43 0.29 0.35 -1.35 3.04 -1.81 -2.72 116.25 114.47 2brw h VAL 324 Ca 0.06 -0.53 -0.02 0.00 -1.01 0.00 0.00 66.70 65.20 2brw h VAL 324 Cb 0.74 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2brw h VAL 324 CO 0.06 0.08 -0.17 0.40 -1.01 0.00 0.00 177.57 176.93 2brw h ILE 325 N 0.00 0.23 0.00 3.17 2.04 -1.78 -2.82 117.51 118.35 2brw h ILE 325 Ca -0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2brw h ILE 325 Cb 0.40 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2brw h ILE 325 CO 0.01 0.06 0.12 -0.62 0.00 0.00 0.00 178.15 177.72 2brw n GLU 326 N -5.09 0.00 -0.06 2.37 -0.58 -1.15 0.42 120.64 116.55 2brw n GLU 326 Ca -0.07 0.36 -0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2brw n GLU 326 Cb 0.23 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 2brw n GLU 326 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2brw h LYS 327 N 0.00 0.00 0.00 3.49 3.11 -1.27 -3.22 116.57 118.68 2brw h LYS 327 Ca 0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 2brw h LYS 327 Cb 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2brw h LYS 327 CO 0.00 0.21 -0.34 0.74 -2.81 0.00 0.00 179.45 177.25 2brw h PHE 328 N -1.00 0.00 -2.10 1.91 0.04 -1.02 -3.38 116.94 111.40 2brw h PHE 328 Ca -0.02 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.17 2brw h PHE 328 Cb 0.33 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.08 2brw h PHE 328 CO 0.00 0.34 -0.88 0.28 -0.60 0.00 0.00 178.31 177.45 2brw n VAL 329 N -3.24 0.66 0.06 -0.55 0.31 0.17 -4.50 118.33 111.23 2brw n VAL 329 Ca 0.02 -4.54 -0.08 0.00 -0.01 0.00 0.00 64.34 59.73 2brw n VAL 329 Cb 0.62 -2.02 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 2brw n VAL 329 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2brw h PRO 330 N 4.11 0.02 -5.06 5.55 0.13 -1.74 -3.39 132.00 131.61 2brw h PRO 330 Ca 0.13 -0.03 -0.65 0.00 -0.87 0.00 0.00 66.00 64.58 2brw h PRO 330 Cb 0.78 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 31.67 2brw h PRO 330 CO 0.63 0.98 -0.69 0.34 -0.23 0.00 0.00 178.00 179.03 2brw s ASP 331 N -6.70 4.61 0.00 1.44 2.15 -1.26 -5.00 116.67 111.91 2brw s ASP 331 Ca 0.00 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 52.70 2brw s ASP 331 Cb 0.10 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 2brw s ASP 331 CO 0.82 0.02 0.32 -0.81 -0.17 0.00 0.00 175.17 175.36 2brw n PRO 332 N 4.50 0.34 0.00 4.34 -0.04 -1.26 -2.32 135.00 140.56 2brw n PRO 332 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2brw n PRO 332 Cb 0.51 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 2brw n PRO 332 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2brw n GLU 333 N -0.41 4.06 -4.16 0.54 1.02 -1.26 -4.87 120.64 115.55 2brw n GLU 333 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.97 2brw n GLU 333 Cb 0.01 -0.56 -0.12 0.00 -0.02 0.00 0.00 31.44 30.75 2brw n GLU 333 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2brw s HIS 334 N -1.04 1.15 0.15 -0.32 3.76 -0.98 0.70 115.29 118.70 2brw s HIS 334 Ca 0.00 -0.49 0.09 0.00 -0.15 0.00 0.00 55.06 54.51 2brw s HIS 334 Cb 0.00 -0.64 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 2brw s HIS 334 CO 0.00 0.04 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.70 2brw s PHE 335 N -1.48 2.52 -1.17 1.40 0.08 -0.19 -4.63 117.98 114.50 2brw s PHE 335 Ca -0.01 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 2brw s PHE 335 Cb -0.09 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 2brw s PHE 335 CO 0.02 0.44 0.22 0.54 -0.10 0.00 0.00 175.22 176.34 2brw n ARG 336 N 0.49 -2.35 0.12 0.44 1.74 -1.26 -1.23 116.66 114.62 2brw n ARG 336 Ca -0.14 0.68 0.12 0.00 -0.77 0.00 0.00 57.85 57.74 2brw n ARG 336 Cb 0.54 -4.98 0.48 0.00 -1.02 0.00 0.00 32.46 27.47 2brw n ARG 336 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2brw n LYS 337 N -2.74 0.19 0.00 5.56 4.81 -1.26 -1.12 118.16 123.59 2brw n LYS 337 Ca -0.13 0.40 0.14 0.00 -0.87 0.00 0.00 58.31 57.85 2brw n LYS 337 Cb 0.61 -1.85 0.45 0.00 0.02 0.00 0.00 35.03 34.26 2brw n LYS 337 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2brw n THR 338 N -2.20 0.00 -3.33 3.15 -1.04 -1.26 -4.88 114.28 104.71 2brw n THR 338 Ca 0.02 -0.21 -0.16 0.00 -2.04 0.00 0.00 64.05 61.66 2brw n THR 338 Cb 0.24 0.50 0.03 0.00 -1.82 0.00 0.00 70.33 69.28 2brw n THR 338 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2brw n THR 339 N -0.10 0.00 0.51 12.58 -2.24 -0.28 -5.01 114.28 119.74 2brw n THR 339 Ca 0.16 -1.51 0.11 0.00 -2.27 0.00 0.00 64.05 60.54 2brw n THR 339 Cb 0.36 -0.44 0.26 0.00 -2.10 0.00 0.00 70.33 68.41 2brw n THR 339 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2brw n ASP 340 N -2.25 2.95 -3.16 3.42 5.75 -1.26 -4.41 116.55 117.59 2brw n ASP 340 Ca 0.07 -1.93 -0.23 0.00 -0.01 0.00 0.00 54.79 52.69 2brw n ASP 340 Cb 0.45 -0.24 -0.06 0.00 -1.03 0.00 0.00 41.12 40.24 2brw n ASP 340 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2brw n ASN 341 N 1.15 -0.03 -4.73 -1.12 2.85 -1.26 -5.11 115.26 107.00 2brw n ASN 341 Ca 0.19 -2.73 -0.41 0.00 -0.11 0.00 0.00 54.58 51.52 2brw n ASN 341 Cb 0.52 -0.48 -0.04 0.00 1.24 0.00 0.00 39.78 41.02 2brw n ASN 341 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2brw s PRO 342 N -1.05 4.61 0.06 1.20 0.02 -1.24 -4.83 135.00 133.76 2brw s PRO 342 Ca 0.35 1.65 0.09 0.00 0.02 0.00 0.00 61.00 63.11 2brw s PRO 342 Cb 0.17 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 2brw s PRO 342 CO -0.12 0.08 -0.22 -0.59 -0.33 0.00 0.00 177.00 175.82 2brw s PHE 343 N -0.08 2.44 0.06 6.54 -0.12 -0.36 -4.94 117.98 121.52 2brw s PHE 343 Ca 0.49 -0.33 -0.31 0.00 -0.05 0.00 0.00 56.93 56.74 2brw s PHE 343 Cb -0.28 -1.40 -0.06 0.00 -0.63 0.00 0.00 43.02 40.65 2brw s PHE 343 CO 0.33 0.23 1.35 0.21 -0.05 0.00 0.00 175.22 177.29 2brw s LYS 344 N -1.53 4.33 -0.01 1.99 2.20 -1.26 -1.02 119.74 124.45 2brw s LYS 344 Ca 0.14 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.41 2brw s LYS 344 Cb -0.10 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 2brw s LYS 344 CO 0.05 -0.45 1.33 0.00 -0.36 0.00 0.00 175.35 175.92 2brw s ALA 345 N 1.56 3.54 0.02 3.13 0.00 0.22 -4.90 121.76 125.33 2brw s ALA 345 Ca 0.63 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.43 2brw s ALA 345 Cb -0.33 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2brw s ALA 345 CO 0.29 -0.83 -0.09 -0.51 0.00 0.00 0.00 175.76 174.61 2brw s LEU 346 N 2.21 2.11 0.00 0.00 1.43 -1.26 -4.83 118.68 118.34 2brw s LEU 346 Ca 0.61 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2brw s LEU 346 Cb -0.29 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.52 2brw s LEU 346 CO 0.25 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.46 2brw n GLY 347 N 2.33 2.07 0.24 -3.19 0.00 -1.26 -2.91 105.19 102.47 2brw n GLY 347 Ca -0.16 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 2brw n GLY 347 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2brw h GLY 348 N 0.00 -0.03 2.00 -0.02 0.00 -1.95 -1.66 103.07 101.40 2brw h GLY 348 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2brw h GLY 348 CO 0.00 -0.18 0.00 3.45 0.00 0.00 0.00 176.54 179.81 2brw h ASN 349 N -0.18 0.00 -0.28 0.19 7.08 -1.93 -1.22 115.58 119.24 2brw h ASN 349 Ca 0.15 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.41 2brw h ASN 349 Cb 0.40 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.63 2brw h ASN 349 CO -0.37 0.00 0.19 -0.07 -2.08 0.00 0.00 177.43 175.10 2brw h LEU 350 N 0.00 0.17 -0.75 6.14 -0.00 -1.45 0.24 115.31 119.66 2brw h LEU 350 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2brw h LEU 350 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2brw h LEU 350 CO -0.00 0.11 -0.31 -0.37 -0.00 0.00 0.00 178.44 177.87 2brw h VAL 351 N 0.19 1.28 -0.59 1.22 -1.51 -1.33 -1.39 116.25 114.12 2brw h VAL 351 Ca 0.12 -1.43 -0.10 0.00 -1.23 0.00 0.00 66.70 64.07 2brw h VAL 351 Cb 0.25 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.80 2brw h VAL 351 CO -0.02 0.46 -0.00 0.44 -1.23 0.00 0.00 177.57 177.21 2brw h ASP 352 N 0.51 1.03 -0.55 4.19 3.32 -1.13 -0.34 116.42 123.45 2brw h ASP 352 Ca 0.06 -0.31 0.07 0.00 0.02 0.00 0.00 57.03 56.88 2brw h ASP 352 Cb 0.79 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 2brw h ASP 352 CO 0.06 1.09 0.22 -0.03 -1.72 0.00 0.00 179.24 178.87 2brw h MET 353 N 0.95 0.41 -0.72 3.56 4.05 -0.66 0.16 114.93 122.67 2brw h MET 353 Ca 0.17 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2brw h MET 353 Cb 0.56 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 2brw h MET 353 CO 0.03 0.27 0.24 0.78 0.23 0.00 0.00 176.91 178.46 2brw h GLY 354 N 0.42 1.19 2.00 1.39 0.00 -0.69 0.29 103.07 107.68 2brw h GLY 354 Ca 0.27 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2brw h GLY 354 CO -0.25 0.65 -0.17 3.21 0.00 0.00 0.00 176.54 179.97 2brw h ARG 355 N 1.07 0.00 0.04 4.80 3.08 0.63 -1.70 114.38 122.30 2brw h ARG 355 Ca 0.24 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.92 2brw h ARG 355 Cb 0.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 2brw h ARG 355 CO -0.01 0.17 -2.06 0.28 -1.07 0.00 0.00 179.97 177.28 2brw n VAL 356 N -4.00 1.60 -0.07 2.04 0.31 0.38 -4.36 118.33 114.22 2brw n VAL 356 Ca -0.02 -0.43 -0.22 0.00 -0.01 0.00 0.00 64.34 63.66 2brw n VAL 356 Cb 0.26 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.30 2brw n VAL 356 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2brw n LYS 357 N -3.83 0.63 -0.11 5.55 5.02 0.98 -3.27 118.16 123.14 2brw n LYS 357 Ca -0.41 0.44 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 2brw n LYS 357 Cb 0.91 -1.71 0.01 0.00 -0.02 0.00 0.00 35.03 34.22 2brw n LYS 357 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2brw h VAL 358 N -0.62 0.42 0.12 -0.18 2.07 -1.43 0.92 116.25 117.55 2brw h VAL 358 Ca -0.41 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2brw h VAL 358 Cb 1.59 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2brw h VAL 358 CO -0.13 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.77 2brw h ILE 359 N -0.14 0.79 0.00 4.57 1.08 -1.74 -1.22 117.51 120.86 2brw h ILE 359 Ca 0.19 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.62 2brw h ILE 359 Cb 0.43 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 34.97 2brw h ILE 359 CO -0.46 0.00 -0.16 0.00 -0.69 0.00 0.00 178.15 176.84 2brw h ALA 360 N 0.65 1.40 -0.35 1.87 0.00 -1.44 0.11 119.26 121.49 2brw h ALA 360 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2brw h ALA 360 Cb 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2brw h ALA 360 CO -0.01 0.19 0.23 0.78 0.00 0.00 0.00 179.25 180.45 2brw h GLY 361 N 0.80 0.50 0.51 0.00 0.00 0.20 0.78 103.07 105.86 2brw h GLY 361 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2brw h GLY 361 CO 0.02 0.19 -0.00 1.41 0.00 0.00 0.00 176.54 178.15 2brw h LEU 362 N 0.48 -0.01 -1.54 3.11 3.38 -0.44 0.01 115.31 120.31 2brw h LEU 362 Ca 0.13 -0.48 0.23 0.00 0.09 0.00 0.00 57.88 57.85 2brw h LEU 362 Cb -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 2brw h LEU 362 CO -0.03 0.48 0.63 -0.07 0.09 0.00 0.00 178.44 179.55 2brw h LEU 363 N -0.49 0.36 -0.58 1.67 3.38 -0.67 0.12 115.31 119.10 2brw h LEU 363 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2brw h LEU 363 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2brw h LEU 363 CO 0.00 0.12 -0.48 0.54 0.09 0.00 0.00 178.44 178.72 2brw n ARG 364 N -4.50 0.79 -3.61 1.13 1.74 0.25 -4.81 116.66 107.65 2brw n ARG 364 Ca 0.21 -0.58 -0.23 0.00 -0.77 0.00 0.00 57.85 56.48 2brw n ARG 364 Cb 0.79 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.82 2brw n ARG 364 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2brw n LYS 365 N -0.60 -7.25 -3.66 5.56 5.02 0.42 -4.95 118.16 112.70 2brw n LYS 365 Ca 0.09 0.79 -0.39 0.00 -2.02 0.00 0.00 58.31 56.79 2brw n LYS 365 Cb 0.39 -5.80 -0.10 0.00 -0.02 0.00 0.00 35.03 29.50 2brw n LYS 365 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2brw s ASP 366 N -3.59 5.50 0.28 4.39 -1.08 -0.17 -4.97 116.67 117.03 2brw s ASP 366 Ca 0.44 -1.69 -0.00 0.00 -0.52 0.00 0.00 52.55 50.78 2brw s ASP 366 Cb -0.20 -1.93 0.41 0.00 -1.46 0.00 0.00 42.92 39.74 2brw s ASP 366 CO 0.75 -0.55 1.80 0.44 0.52 0.00 0.00 175.17 178.13 2brw h ASP 367 N 8.30 0.69 0.51 -0.34 3.32 -1.93 -2.89 116.42 124.08 2brw h ASP 367 Ca -0.20 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 2brw h ASP 367 Cb 1.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2brw h ASP 367 CO 0.75 0.75 -0.24 1.56 -1.72 0.00 0.00 179.24 180.33 2brw h GLN 368 N 0.69 -0.66 -0.95 3.56 4.20 -1.96 0.76 115.11 120.75 2brw h GLN 368 Ca 0.14 0.04 0.18 0.00 0.06 0.00 0.00 58.65 59.07 2brw h GLN 368 Cb 0.39 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 28.22 2brw h GLN 368 CO 0.01 -0.39 0.54 1.49 -0.67 0.00 0.00 178.83 179.82 2brw h GLU 369 N -0.80 0.68 0.64 1.46 4.81 -1.94 0.47 114.58 119.89 2brw h GLU 369 Ca -0.07 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2brw h GLU 369 Cb 0.57 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.80 2brw h GLU 369 CO 0.11 0.45 -0.31 0.82 -0.73 0.00 0.00 179.01 179.36 2brw h ILE 370 N 0.70 0.35 -0.72 2.32 2.04 -1.27 -1.86 117.51 119.08 2brw h ILE 370 Ca 0.54 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 66.27 2brw h ILE 370 Cb 0.81 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2brw h ILE 370 CO -0.38 0.01 0.30 0.77 0.00 0.00 0.00 178.15 178.86 2brw h SER 371 N -0.91 0.96 0.09 1.72 4.64 0.07 -2.63 113.55 117.49 2brw h SER 371 Ca -0.09 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2brw h SER 371 Cb 0.67 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2brw h SER 371 CO 0.14 0.84 -0.04 0.28 -0.87 0.00 0.00 176.83 177.18 2brw h SER 372 N 1.03 -0.10 -0.09 4.97 0.02 -0.07 -2.10 113.55 117.22 2brw h SER 372 Ca 0.24 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2brw h SER 372 Cb 0.17 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2brw h SER 372 CO -0.02 -0.01 -0.15 0.74 -1.14 0.00 0.00 176.83 176.24 2brw h THR 373 N -0.18 0.60 -0.35 -2.27 2.02 -1.19 -2.11 112.91 109.43 2brw h THR 373 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 2brw h THR 373 Cb 0.15 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2brw h THR 373 CO 0.02 0.00 0.15 0.40 0.37 0.00 0.00 175.52 176.46 2brw h ILE 374 N -0.21 0.95 -0.99 3.11 2.04 -1.46 0.40 117.51 121.35 2brw h ILE 374 Ca 0.08 -0.11 0.20 0.00 1.00 0.00 0.00 64.86 66.03 2brw h ILE 374 Cb 0.32 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 36.90 2brw h ILE 374 CO -0.21 0.06 0.62 0.03 0.00 0.00 0.00 178.15 178.64 2brw h ARG 375 N 0.32 0.62 -0.09 2.37 3.08 -1.00 0.33 114.38 120.02 2brw h ARG 375 Ca 0.15 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2brw h ARG 375 Cb 0.09 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.01 2brw h ARG 375 CO -0.13 0.41 -0.44 1.03 -1.07 0.00 0.00 179.97 179.77 2brw h SER 376 N 0.64 0.55 0.00 7.04 0.87 -0.48 -2.97 113.55 119.20 2brw h SER 376 Ca 0.56 -0.64 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2brw h SER 376 Cb 1.03 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2brw h SER 376 CO -0.33 1.10 0.22 0.40 -0.53 0.00 0.00 176.83 177.70 2brw h ILE 377 N 0.03 0.00 0.00 2.23 1.08 0.18 -1.41 117.51 119.62 2brw h ILE 377 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2brw h ILE 377 Cb 1.09 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 2brw h ILE 377 CO 0.09 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 177.22 2brw h GLU 378 N 0.00 0.00 -0.09 2.37 5.08 -1.15 -3.29 114.58 117.50 2brw h GLU 378 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2brw h GLU 378 Cb 0.45 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2brw h GLU 378 CO 0.00 0.00 -0.27 1.96 -1.00 0.00 0.00 179.01 179.70 2brw h GLN 379 N 0.00 -0.36 -0.40 2.33 4.20 -1.41 -0.77 115.11 118.70 2brw h GLN 379 Ca 0.00 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.85 2brw h GLN 379 Cb 0.70 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2brw h GLN 379 CO 0.00 -0.24 0.63 -0.39 -0.67 0.00 0.00 178.83 178.17 2brw h VAL 380 N -0.37 0.17 0.00 -0.54 -1.51 -1.79 -2.87 116.25 109.34 2brw h VAL 380 Ca 0.09 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.53 2brw h VAL 380 Cb 0.50 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.10 2brw h VAL 380 CO -0.30 0.00 -0.06 0.49 -1.23 0.00 0.00 177.57 176.48 2brw n PHE 381 N -3.29 0.00 -4.43 5.19 3.72 -0.29 -4.78 117.46 113.57 2brw n PHE 381 Ca 0.08 -1.03 -0.21 0.00 -0.05 0.00 0.00 57.45 56.23 2brw n PHE 381 Cb 0.79 -0.66 -0.10 0.00 -0.94 0.00 0.00 39.48 38.57 2brw n PHE 381 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2brw s LYS 382 N 0.25 1.57 0.08 -1.08 -2.85 -1.09 -4.82 119.74 111.81 2brw s LYS 382 Ca 0.10 -1.82 0.06 0.00 -1.00 0.00 0.00 55.97 53.31 2brw s LYS 382 Cb 0.05 -1.06 -0.04 0.00 -2.06 0.00 0.00 37.83 34.72 2brw s LYS 382 CO 0.00 -0.03 -0.08 -1.17 0.10 0.00 0.00 175.35 174.17 2brw s LEU 383 N -3.45 3.12 0.38 2.77 2.96 -1.26 -4.59 118.68 118.61 2brw s LEU 383 Ca 0.31 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 2brw s LEU 383 Cb 0.05 -1.88 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 2brw s LEU 383 CO 0.13 0.20 0.04 0.68 -1.32 0.00 0.00 176.35 176.07 2brw s VAL 384 N -1.18 1.49 -0.03 1.68 -7.23 0.82 -4.99 120.40 110.97 2brw s VAL 384 Ca 0.21 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2brw s VAL 384 Cb -0.11 -2.80 0.06 0.00 0.56 0.00 0.00 36.38 34.09 2brw s VAL 384 CO 0.13 0.00 0.89 -0.90 -0.31 0.00 0.00 175.10 174.92 2brw n ASP 385 N -0.90 0.79 -3.62 4.85 3.85 -1.26 -4.27 116.55 115.99 2brw n ASP 385 Ca -0.05 -1.95 -0.08 0.00 -0.71 0.00 0.00 54.79 52.00 2brw n ASP 385 Cb 0.67 -0.16 -0.06 0.00 -1.35 0.00 0.00 41.12 40.21 2brw n ASP 385 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 2brw s GLN 386 N -0.75 0.41 1.61 0.11 0.74 -1.26 -5.15 119.66 115.37 2brw s GLN 386 Ca 0.07 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.77 2brw s GLN 386 Cb 0.06 0.20 0.00 0.00 1.10 0.00 0.00 33.01 34.36 2brw s GLN 386 CO 0.01 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 2brw n GLY 387 N 1.42 -1.45 3.74 2.59 0.00 -1.26 -4.86 105.19 105.37 2brw n GLY 387 Ca -0.10 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 2brw n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2brw s GLU 388 N 0.00 2.42 0.00 1.61 2.02 -1.26 -4.61 118.70 118.89 2brw s GLU 388 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 54.97 56.68 2brw s GLU 388 Cb 0.00 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.36 2brw s GLU 388 CO 0.00 -1.60 0.00 0.41 0.02 0.00 0.00 175.26 174.09 2brw n GLY 389 N 0.22 2.09 3.80 -1.39 0.00 0.13 -4.88 105.19 105.17 2brw n GLY 389 Ca 0.13 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 2brw n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2brw s PHE 390 N -1.68 3.67 0.38 1.61 0.08 -1.26 -1.70 117.98 119.08 2brw s PHE 390 Ca 0.00 1.50 0.08 0.00 0.12 0.00 0.00 56.93 58.63 2brw s PHE 390 Cb 0.00 -2.70 -0.04 0.00 -0.57 0.00 0.00 43.02 39.71 2brw s PHE 390 CO 0.00 0.31 0.24 0.71 -0.10 0.00 0.00 175.22 176.38 2brw s TYR 391 N -1.53 2.70 0.33 0.36 1.51 0.21 -0.13 117.35 120.81 2brw s TYR 391 Ca 0.44 -0.46 0.09 0.00 -1.01 0.00 0.00 57.07 56.13 2brw s TYR 391 Cb -0.17 -1.90 0.58 0.00 -0.11 0.00 0.00 41.96 40.35 2brw s TYR 391 CO 0.22 0.14 1.77 0.37 -1.11 0.00 0.00 175.55 176.94 2brw h GLN 392 N 1.33 0.16 -0.00 -0.62 4.15 -1.88 -0.63 115.11 117.62 2brw h GLN 392 Ca -0.43 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2brw h GLN 392 Cb 1.26 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2brw h GLN 392 CO 0.63 0.51 0.00 -0.40 -1.93 0.00 0.00 178.83 177.64 2brw n ASP 393 N -4.08 0.08 0.00 -0.69 5.68 -1.26 -4.88 116.55 111.39 2brw n ASP 393 Ca -0.01 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 2brw n ASP 393 Cb 0.43 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2brw n ASP 393 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2brw n GLY 394 N 0.95 0.64 3.60 6.12 0.00 -0.24 -4.72 105.19 111.54 2brw n GLY 394 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2brw n GLY 394 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2brw s SER 395 N -2.40 2.15 -0.12 1.61 0.01 -1.26 -4.19 113.70 109.51 2brw s SER 395 Ca 0.00 1.73 -0.06 0.00 1.31 0.00 0.00 55.95 58.93 2brw s SER 395 Cb 0.00 -2.36 0.05 0.00 0.21 0.00 0.00 66.02 63.93 2brw s SER 395 CO 0.00 -3.50 0.27 -0.47 0.41 0.00 0.00 173.24 169.95 2brw s TYR 396 N -2.63 -0.40 -0.05 2.43 6.14 -1.26 -0.61 117.35 120.96 2brw s TYR 396 Ca 0.67 0.92 0.05 0.00 0.64 0.00 0.00 57.07 59.35 2brw s TYR 396 Cb -0.23 0.06 -0.02 0.00 0.42 0.00 0.00 41.96 42.19 2brw s TYR 396 CO 0.61 -0.29 -0.20 0.42 0.64 0.00 0.00 175.55 176.73 2brw s ILE 397 N 1.65 2.50 0.21 3.14 -1.09 -0.69 -1.92 121.20 125.00 2brw s ILE 397 Ca -0.06 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 57.43 2brw s ILE 397 Cb -0.11 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 2brw s ILE 397 CO -0.09 0.58 0.13 -0.62 -1.23 0.00 0.00 174.94 173.71 2brw s ASP 398 N -0.44 0.30 -1.43 3.58 -1.08 -0.45 0.20 116.67 117.36 2brw s ASP 398 Ca 0.05 -1.40 -0.07 0.00 -0.52 0.00 0.00 52.55 50.61 2brw s ASP 398 Cb -0.12 0.37 0.04 0.00 -1.46 0.00 0.00 42.92 41.75 2brw s ASP 398 CO 0.01 -0.84 0.80 1.41 0.52 0.00 0.00 175.17 177.08 2brw n HIS 399 N -0.30 -2.05 0.00 -5.34 8.25 -1.26 -1.90 115.22 112.61 2brw n HIS 399 Ca 0.02 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 2brw n HIS 399 Cb 0.66 -4.09 0.00 0.00 1.12 0.00 0.00 29.99 27.68 2brw n HIS 399 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2brw n THR 400 N -4.47 0.00 -2.77 1.59 -1.04 -1.26 -4.12 114.28 102.21 2brw n THR 400 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2brw n THR 400 Cb 0.61 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.17 2brw n THR 400 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2brw n ASN 401 N 4.23 1.08 -4.52 8.00 6.94 -1.23 -4.14 115.26 125.62 2brw n ASN 401 Ca 0.00 -2.04 -0.33 0.00 -0.02 0.00 0.00 54.58 52.18 2brw n ASN 401 Cb 0.00 -0.30 -0.12 0.00 -2.36 0.00 0.00 39.78 37.00 2brw n ASN 401 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2brw s VAL 402 N -2.86 3.42 -0.07 3.53 1.01 -0.80 -0.68 120.40 123.95 2brw s VAL 402 Ca 0.25 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2brw s VAL 402 Cb 0.34 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2brw s VAL 402 CO -0.06 0.59 1.32 0.00 0.00 0.00 0.00 175.10 176.94 2brw s ALA 403 N -0.64 3.58 0.00 5.51 0.00 -1.26 -1.34 121.76 127.61 2brw s ALA 403 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2brw s ALA 403 Cb -0.11 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2brw s ALA 403 CO 0.01 -0.99 0.87 0.66 0.00 0.00 0.00 175.76 176.31 2brw n TYR 404 N 5.86 0.00 -0.33 0.00 4.01 -0.81 -4.49 117.16 121.41 2brw n TYR 404 Ca 0.13 0.00 0.21 0.00 -0.16 0.00 0.00 57.90 58.08 2brw n TYR 404 Cb 0.45 -0.02 0.42 0.00 -0.31 0.00 0.00 39.34 39.89 2brw n TYR 404 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2brw h THR 405 N 6.18 0.35 0.00 -0.72 2.02 -1.64 -0.97 112.91 118.13 2brw h THR 405 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2brw h THR 405 Cb 1.30 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2brw h THR 405 CO 0.00 0.07 0.00 0.61 0.37 0.00 0.00 175.52 176.57 2brw n GLY 406 N -1.31 -0.82 2.02 2.16 0.00 0.20 -2.03 105.19 105.40 2brw n GLY 406 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2brw n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brw n ALA 407 N -0.55 2.32 0.13 4.61 0.00 -0.44 -4.44 120.51 122.13 2brw n ALA 407 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 2brw n ALA 407 Cb 0.01 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.59 2brw n ALA 407 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2brw h TYR 408 N 0.00 0.00 -0.50 0.00 0.05 -1.73 -1.94 116.97 112.85 2brw h TYR 408 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 2brw h TYR 408 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2brw h TYR 408 CO 0.00 0.67 -0.12 0.78 -1.05 0.00 0.00 178.16 178.44 2brw h GLY 409 N 2.07 1.02 0.26 3.88 0.00 -1.19 -2.98 103.07 106.13 2brw h GLY 409 Ca -0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 2brw h GLY 409 CO 0.09 0.75 -0.41 3.43 0.00 0.00 0.00 176.54 180.39 2brw h ASN 410 N 0.84 -1.18 -0.04 0.19 4.21 -0.79 -2.25 115.58 116.55 2brw h ASN 410 Ca 0.13 0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.76 2brw h ASN 410 Cb 0.66 0.41 -0.00 0.00 -1.12 0.00 0.00 38.32 38.27 2brw h ASN 410 CO 0.05 -0.49 0.29 0.58 -1.29 0.00 0.00 177.43 176.57 2brw h VAL 411 N -0.71 0.06 0.17 2.81 2.07 -1.35 0.20 116.25 119.51 2brw h VAL 411 Ca -0.03 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.19 2brw h VAL 411 Cb 0.65 0.72 0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2brw h VAL 411 CO -0.13 0.00 -1.32 0.25 0.02 0.00 0.00 177.57 176.38 2brw h LEU 412 N 0.00 0.69 0.00 2.57 6.46 -1.25 -1.96 115.31 121.82 2brw h LEU 412 Ca 0.02 -0.71 -0.22 0.00 -0.12 0.00 0.00 57.88 56.86 2brw h LEU 412 Cb 0.60 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2brw h LEU 412 CO -0.00 1.54 -1.66 0.00 -0.62 0.00 0.00 178.44 177.70 2brw n ILE 413 N -3.67 1.24 -0.03 4.05 3.06 -0.51 -2.85 119.36 120.64 2brw n ILE 413 Ca -0.13 -0.73 -0.15 0.00 -2.50 0.00 0.00 62.75 59.24 2brw n ILE 413 Cb 1.04 -0.72 -0.12 0.00 0.54 0.00 0.00 39.64 40.39 2brw n ILE 413 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2brw h ASP 414 N 0.00 0.19 0.06 9.51 3.58 -0.78 -2.61 116.42 126.36 2brw h ASP 414 Ca -0.24 -0.79 -0.20 0.00 0.42 0.00 0.00 57.03 56.22 2brw h ASP 414 Cb 1.74 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.74 2brw h ASP 414 CO 0.05 0.96 -0.74 1.23 -2.88 0.00 0.00 179.24 177.86 2brw h GLY 415 N -0.56 0.65 1.84 -0.78 0.00 -1.53 -3.22 103.07 99.46 2brw h GLY 415 Ca -0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 46.27 2brw h GLY 415 CO 0.04 0.80 -0.54 -2.00 0.00 0.00 0.00 176.54 174.85 2brw h LEU 416 N 0.41 0.18 -1.17 3.11 5.85 -1.66 -2.11 115.31 119.93 2brw h LEU 416 Ca -0.04 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2brw h LEU 416 Cb 1.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2brw h LEU 416 CO 0.14 0.69 0.00 0.77 -0.34 0.00 0.00 178.44 179.70 2brw h SER 417 N 0.13 0.00 0.72 1.25 4.64 -1.49 -2.22 113.55 116.58 2brw h SER 417 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 2brw h SER 417 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2brw h SER 417 CO 0.08 0.00 -1.02 -0.61 -0.87 0.00 0.00 176.83 174.41 2brw h GLN 418 N 0.00 0.16 0.06 4.77 4.15 -1.39 -3.36 115.11 119.49 2brw h GLN 418 Ca 0.00 -0.22 -0.31 0.00 0.77 0.00 0.00 58.65 58.89 2brw h GLN 418 Cb 0.41 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2brw h GLN 418 CO 0.00 1.04 -1.73 -0.07 -1.93 0.00 0.00 178.83 176.14 2brw h LEU 419 N 0.06 0.19 -0.79 -2.39 3.38 -1.35 -3.41 115.31 111.01 2brw h LEU 419 Ca -0.06 -0.38 0.19 0.00 0.09 0.00 0.00 57.88 57.72 2brw h LEU 419 Cb 1.71 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.27 2brw h LEU 419 CO 0.15 1.33 0.05 -0.07 0.09 0.00 0.00 178.44 179.99 2brw h LEU 420 N 0.03 -0.29 -1.11 1.67 3.38 -1.57 0.33 115.31 117.75 2brw h LEU 420 Ca -0.31 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2brw h LEU 420 Cb 2.01 0.34 0.00 0.00 0.09 0.00 0.00 40.66 43.10 2brw h LEU 420 CO 0.10 -0.18 0.00 -2.65 0.09 0.00 0.00 178.44 175.80 2brw n PRO 421 N -5.33 0.13 -0.06 1.13 -0.02 -1.26 0.45 135.00 130.03 2brw n PRO 421 Ca 0.15 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.17 2brw n PRO 421 Cb 0.52 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 2brw n PRO 421 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2brw n VAL 422 N -2.15 1.20 -0.25 -1.45 0.31 0.04 -4.09 118.33 111.95 2brw n VAL 422 Ca -0.01 0.25 -0.08 0.00 -0.01 0.00 0.00 64.34 64.50 2brw n VAL 422 Cb 0.06 -2.24 -0.04 0.00 -0.91 0.00 0.00 33.84 30.72 2brw n VAL 422 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2brw h ILE 423 N -0.83 0.06 -0.04 2.52 5.03 -1.04 -0.69 117.51 122.51 2brw h ILE 423 Ca 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.75 2brw h ILE 423 Cb 0.51 0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 34.36 2brw h ILE 423 CO 0.00 0.00 0.27 1.56 -0.68 0.00 0.00 178.15 179.30 2brw h GLN 424 N -0.18 0.00 -0.46 2.37 1.08 -0.23 -0.75 115.11 116.94 2brw h GLN 424 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2brw h GLN 424 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2brw h GLN 424 CO -0.75 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 178.76 2brw n LYS 425 N -3.06 2.91 -2.58 1.46 5.02 -0.29 -4.71 118.16 116.91 2brw n LYS 425 Ca -0.01 -2.32 -0.24 0.00 -2.02 0.00 0.00 58.31 53.71 2brw n LYS 425 Cb 0.33 -1.43 0.12 0.00 -0.02 0.00 0.00 35.03 34.04 2brw n LYS 425 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2brw s THR 426 N -1.19 2.03 0.16 -0.18 -4.23 -0.29 -4.98 115.64 106.96 2brw s THR 426 Ca 0.33 -0.58 0.17 0.00 -1.18 0.00 0.00 61.69 60.43 2brw s THR 426 Cb 0.19 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.69 2brw s THR 426 CO 0.20 0.00 1.70 0.11 -0.54 0.00 0.00 174.62 176.09 2brw h LYS 427 N -0.66 0.00 -2.22 3.99 1.57 -1.93 -3.28 116.57 114.03 2brw h LYS 427 Ca -0.35 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 57.68 2brw h LYS 427 Cb 1.26 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.26 2brw h LYS 427 CO 0.37 0.42 0.62 0.09 -0.57 0.00 0.00 179.45 180.37 2brw n ASN 428 N -3.55 6.67 -2.94 0.86 4.13 -1.26 -5.05 115.26 114.12 2brw n ASN 428 Ca -0.00 -3.70 -0.09 0.00 1.68 0.00 0.00 54.58 52.47 2brw n ASN 428 Cb 0.54 -1.00 0.08 0.00 -1.54 0.00 0.00 39.78 37.85 2brw n ASN 428 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2brw n PRO 429 N -0.16 -2.26 -3.49 3.52 -0.04 -1.24 -4.86 135.00 126.47 2brw n PRO 429 Ca 0.44 -0.47 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 2brw n PRO 429 Cb 0.30 -0.52 -0.03 0.00 -0.04 0.00 0.00 33.50 33.21 2brw n PRO 429 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2brw s ILE 430 N -1.45 5.09 0.07 0.52 2.07 -1.26 -4.99 121.20 121.24 2brw s ILE 430 Ca 0.20 -0.05 -0.30 0.00 -1.41 0.00 0.00 60.65 59.09 2brw s ILE 430 Cb -0.03 -3.71 -0.05 0.00 0.13 0.00 0.00 42.46 38.80 2brw s ILE 430 CO 0.16 -0.22 0.98 -0.62 -1.91 0.00 0.00 174.94 173.33 2brw s ASP 431 N -3.03 7.43 0.64 4.50 -1.08 -1.26 -4.90 116.67 118.97 2brw s ASP 431 Ca 0.42 1.75 0.29 0.00 -0.52 0.00 0.00 52.55 54.49 2brw s ASP 431 Cb -0.11 -2.58 1.58 0.00 -1.46 0.00 0.00 42.92 40.35 2brw s ASP 431 CO 0.28 -0.16 1.92 0.50 0.52 0.00 0.00 175.17 178.24 2brw h LYS 432 N 6.09 0.00 -0.05 4.34 3.64 -1.99 -0.60 116.57 128.00 2brw h LYS 432 Ca -0.42 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.73 2brw h LYS 432 Cb 1.21 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2brw h LYS 432 CO 0.73 0.00 -0.89 -0.44 -2.27 0.00 0.00 179.45 176.58 2brw h ASP 433 N 0.00 0.70 0.54 4.20 3.32 -2.00 -2.35 116.42 120.83 2brw h ASP 433 Ca 0.07 -0.52 -0.16 0.00 0.02 0.00 0.00 57.03 56.45 2brw h ASP 433 Cb 0.81 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2brw h ASP 433 CO -0.00 1.30 -0.70 0.11 -1.72 0.00 0.00 179.24 178.23 2brw h LYS 434 N 0.34 0.13 -0.37 3.56 1.57 -1.43 -3.10 116.57 117.28 2brw h LYS 434 Ca -0.08 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 2brw h LYS 434 Cb 1.51 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.84 2brw h LYS 434 CO 0.16 0.78 -0.33 0.52 -0.57 0.00 0.00 179.45 180.02 2brw h MET 435 N 0.09 0.83 0.00 3.15 2.86 -1.45 -2.12 114.93 118.30 2brw h MET 435 Ca -0.02 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2brw h MET 435 Cb 1.25 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 2brw h MET 435 CO 0.10 1.04 -0.02 1.96 1.06 0.00 0.00 176.91 181.05 2brw h GLN 436 N 0.69 0.00 -0.08 1.72 1.08 -1.35 -1.27 115.11 115.91 2brw h GLN 436 Ca 0.07 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 2brw h GLN 436 Cb 0.89 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.33 2brw h GLN 436 CO 0.08 0.02 -0.55 1.15 -0.95 0.00 0.00 178.83 178.58 2brw h THR 437 N 0.00 1.37 -0.70 -0.54 2.02 -1.36 -1.98 112.91 111.72 2brw h THR 437 Ca -0.00 -1.90 0.13 0.00 0.77 0.00 0.00 66.41 65.42 2brw h THR 437 Cb 0.08 2.27 -0.09 0.00 -1.74 0.00 0.00 68.15 68.67 2brw h THR 437 CO 0.00 0.57 0.25 0.24 0.37 0.00 0.00 175.52 176.95 2brw h MET 438 N 0.10 0.38 -0.95 6.66 2.86 -1.03 0.25 114.93 123.20 2brw h MET 438 Ca -0.05 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2brw h MET 438 Cb 1.21 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 2brw h MET 438 CO 0.11 0.25 0.62 1.88 1.06 0.00 0.00 176.91 180.83 2brw h TYR 439 N 0.39 1.20 -0.34 -0.22 0.05 -1.30 -0.88 116.97 115.87 2brw h TYR 439 Ca 0.38 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.14 2brw h TYR 439 Cb 0.57 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 2brw h TYR 439 CO -0.19 0.76 -0.00 1.25 -1.05 0.00 0.00 178.16 178.93 2brw h HIS 440 N 1.29 0.54 -0.04 4.88 2.76 0.20 -1.92 115.15 122.86 2brw h HIS 440 Ca 0.35 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2brw h HIS 440 Cb -0.14 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.67 2brw h HIS 440 CO 0.00 0.53 0.00 -1.49 -1.30 0.00 0.00 177.93 175.68 2brw h TRP 441 N 0.50 0.07 -0.24 5.26 6.55 0.24 -0.03 115.95 128.30 2brw h TRP 441 Ca 0.11 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.98 2brw h TRP 441 Cb 0.33 -0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.57 2brw h TRP 441 CO 0.01 0.31 -0.02 0.82 -1.05 0.00 0.00 178.44 178.51 2brw h ILE 442 N -0.20 0.80 0.00 1.49 2.04 -0.99 0.61 117.51 121.27 2brw h ILE 442 Ca 0.01 -0.02 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 2brw h ILE 442 Cb 0.29 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2brw h ILE 442 CO 0.00 0.01 -0.79 0.44 0.00 0.00 0.00 178.15 177.81 2brw h ASP 443 N 0.05 0.00 0.00 1.72 3.32 -1.37 -0.29 116.42 119.85 2brw h ASP 443 Ca 0.11 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 2brw h ASP 443 Cb 0.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 2brw h ASP 443 CO -0.21 0.79 -1.95 0.29 -1.72 0.00 0.00 179.24 176.44 2brw n LYS 444 N -3.40 1.13 -0.13 3.56 4.76 -0.03 -4.55 118.16 119.52 2brw n LYS 444 Ca 0.00 -0.06 -0.25 0.00 -2.87 0.00 0.00 58.31 55.13 2brw n LYS 444 Cb 0.82 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 32.53 2brw n LYS 444 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2brw n SER 445 N -2.39 1.95 -0.06 4.39 7.64 0.21 -4.46 113.62 120.90 2brw n SER 445 Ca -0.17 0.34 -0.06 0.00 1.01 0.00 0.00 58.87 59.99 2brw n SER 445 Cb 0.80 -0.80 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2brw n SER 445 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2brw h PHE 446 N -1.00 0.00 -0.97 1.43 0.04 -1.43 -3.39 116.94 111.63 2brw h PHE 446 Ca -0.54 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.35 2brw h PHE 446 Cb 1.47 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.49 2brw h PHE 446 CO -0.17 0.30 -0.47 0.00 -0.60 0.00 0.00 178.31 177.37 2brw n ALA 447 N -3.08 -0.36 0.25 2.45 0.00 -0.12 -0.11 120.51 119.54 2brw n ALA 447 Ca -0.07 0.90 0.17 0.00 0.00 0.00 0.00 53.44 54.44 2brw n ALA 447 Cb 0.22 -0.29 0.90 0.00 0.00 0.00 0.00 19.45 20.28 2brw n ALA 447 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2brw h PRO 448 N 0.00 0.00 -0.01 0.00 0.13 -1.80 -0.83 132.00 129.49 2brw h PRO 448 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2brw h PRO 448 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2brw h PRO 448 CO -0.94 0.00 -0.11 1.28 -0.23 0.00 0.00 178.00 178.00 2brw n LEU 449 N -2.67 1.38 -4.47 1.56 4.77 0.84 -4.77 117.00 113.64 2brw n LEU 449 Ca -0.02 -0.43 -0.40 0.00 -0.03 0.00 0.00 56.01 55.13 2brw n LEU 449 Cb 0.07 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2brw n LEU 449 CO 0.15 0.24 -0.16 -0.76 -1.33 0.00 0.00 177.39 175.52 2brw s LEU 450 N -2.21 4.36 -0.14 2.23 1.43 -0.32 -0.79 118.68 123.24 2brw s LEU 450 Ca 0.32 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2brw s LEU 450 Cb 0.20 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2brw s LEU 450 CO 0.41 -0.23 -0.08 -0.69 0.23 0.00 0.00 176.35 175.99 2brw s VAL 451 N 1.66 1.16 -1.36 -1.59 1.01 0.12 -4.83 120.40 116.56 2brw s VAL 451 Ca 0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 2brw s VAL 451 Cb -0.17 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2brw s VAL 451 CO 0.08 0.27 0.74 0.59 0.00 0.00 0.00 175.10 176.78 2brw n ASN 452 N 4.88 -1.86 0.00 3.32 3.02 -1.26 -1.06 115.26 122.30 2brw n ASN 452 Ca -0.13 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 2brw n ASN 452 Cb 0.49 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 2brw n ASN 452 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2brw n GLY 453 N -1.63 0.63 3.56 7.41 0.00 -1.26 -4.45 105.19 109.45 2brw n GLY 453 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2brw n GLY 453 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2brw s GLU 454 N -0.28 2.78 -0.26 1.61 2.12 -0.22 -4.25 118.70 120.20 2brw s GLU 454 Ca 0.00 -0.57 -0.14 0.00 0.36 0.00 0.00 54.97 54.62 2brw s GLU 454 Cb 0.00 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2brw s GLU 454 CO 0.00 0.63 0.32 -1.17 -0.54 0.00 0.00 175.26 174.50 2brw s LEU 455 N -0.72 4.06 0.11 2.70 2.96 -1.03 0.13 118.68 126.89 2brw s LEU 455 Ca 0.11 0.25 -0.34 0.00 -0.22 0.00 0.00 54.13 53.93 2brw s LEU 455 Cb -0.11 -2.35 -0.13 0.00 0.50 0.00 0.00 46.19 44.10 2brw s LEU 455 CO 0.01 -0.12 1.67 0.23 -1.32 0.00 0.00 176.35 176.83 2brw n MET 456 N 5.08 2.27 -0.19 1.98 2.81 0.03 -4.62 117.12 124.47 2brw n MET 456 Ca -0.10 0.82 0.10 0.00 -1.81 0.00 0.00 57.70 56.71 2brw n MET 456 Cb 0.51 -2.62 0.40 0.00 -0.71 0.00 0.00 33.22 30.79 2brw n MET 456 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2brw h ASP 457 N 6.90 0.59 0.00 7.83 3.32 -1.95 -2.58 116.42 130.53 2brw h ASP 457 Ca -0.46 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2brw h ASP 457 Cb 1.25 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2brw h ASP 457 CO 0.91 0.35 0.18 1.15 -1.72 0.00 0.00 179.24 180.11 2brw n MET 458 N -4.50 0.09 0.00 3.56 0.00 -1.26 -0.46 117.12 114.55 2brw n MET 458 Ca 0.13 0.56 0.07 0.00 0.00 0.00 0.00 57.70 58.46 2brw n MET 458 Cb 0.35 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.59 2brw n MET 458 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2brw n SER 459 N -2.01 1.53 -0.69 3.17 3.41 -0.97 -4.60 113.62 113.46 2brw n SER 459 Ca -0.01 -1.27 0.13 0.00 -0.26 0.00 0.00 58.87 57.46 2brw n SER 459 Cb 0.20 0.43 0.34 0.00 -0.26 0.00 0.00 64.21 64.93 2brw n SER 459 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2brw n ARG 460 N -0.10 1.96 0.00 4.33 1.74 0.39 0.58 116.66 125.56 2brw n ARG 460 Ca 0.06 -1.39 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 2brw n ARG 460 Cb 0.30 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2brw n ARG 460 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2brw n GLY 461 N 1.25 2.15 0.00 -0.13 0.00 -1.25 -1.94 105.19 105.27 2brw n GLY 461 Ca 0.17 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.84 2brw n GLY 461 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2brw n ARG 462 N 11.78 0.07 0.19 1.61 1.85 -1.26 -2.63 116.66 128.28 2brw n ARG 462 Ca 0.00 0.25 0.14 0.00 -1.00 0.00 0.00 57.85 57.24 2brw n ARG 462 Cb 0.00 -1.50 0.60 0.00 -1.05 0.00 0.00 32.46 30.51 2brw n ARG 462 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2brw h SER 463 N 0.00 0.00 0.33 2.89 0.02 -1.77 -2.82 113.55 112.19 2brw h SER 463 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2brw h SER 463 Cb 0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2brw h SER 463 CO 0.00 0.00 -0.02 0.16 -1.14 0.00 0.00 176.83 175.83 2brw h ILE 464 N 0.00 0.15 -0.01 3.27 3.07 -1.68 -2.24 117.51 120.07 2brw h ILE 464 Ca 0.00 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.18 2brw h ILE 464 Cb 0.35 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.09 2brw h ILE 464 CO 0.00 0.02 -0.03 -1.54 -1.05 0.00 0.00 178.15 175.55 2brw n SER 465 N -3.25 1.34 -4.56 2.16 3.41 -1.06 -4.80 113.62 106.85 2brw n SER 465 Ca -0.02 -1.38 -0.42 0.00 -0.26 0.00 0.00 58.87 56.79 2brw n SER 465 Cb 0.16 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 2brw n SER 465 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2brw s ARG 466 N -2.07 3.60 0.38 4.33 0.52 -0.84 -4.71 118.95 120.16 2brw s ARG 466 Ca 0.37 0.08 0.15 0.00 -0.52 0.00 0.00 55.73 55.80 2brw s ARG 466 Cb 0.21 -3.86 1.00 0.00 0.52 0.00 0.00 34.95 32.82 2brw s ARG 466 CO 0.36 -0.91 1.81 0.00 0.02 0.00 0.00 175.30 176.58 2brw h ALA 467 N 8.65 2.08 -0.04 2.13 0.00 -1.88 -0.10 119.26 130.10 2brw h ALA 467 Ca -0.25 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2brw h ALA 467 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2brw h ALA 467 CO 0.91 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 180.00 2brw n ASN 468 N -4.60 0.48 -2.67 0.00 6.94 -1.26 -4.30 115.26 109.84 2brw n ASN 468 Ca 0.22 -1.44 -0.15 0.00 -0.02 0.00 0.00 54.58 53.19 2brw n ASN 468 Cb 0.72 -0.02 0.01 0.00 -2.36 0.00 0.00 39.78 38.13 2brw n ASN 468 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2brw n SER 469 N -0.50 2.38 -4.82 0.53 7.64 -0.05 -4.90 113.62 113.90 2brw n SER 469 Ca 0.16 -3.05 -0.30 0.00 1.01 0.00 0.00 58.87 56.69 2brw n SER 469 Cb 0.15 -0.52 0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2brw n SER 469 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2brw s GLU 470 N -3.19 2.43 0.06 1.43 2.02 -1.26 -4.52 118.70 115.68 2brw s GLU 470 Ca 0.35 0.69 -0.11 0.00 0.02 0.00 0.00 54.97 55.91 2brw s GLU 470 Cb 0.43 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.68 2brw s GLU 470 CO -0.04 -1.39 0.58 0.41 0.02 0.00 0.00 175.26 174.84 2brw n GLY 471 N -2.22 -0.97 0.24 -1.39 0.00 -1.26 -0.15 105.19 99.44 2brw n GLY 471 Ca 0.07 0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.49 2brw n GLY 471 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2brw h HIS 472 N 0.00 0.63 -0.13 1.61 3.86 -1.86 -0.66 115.15 118.59 2brw h HIS 472 Ca 0.06 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2brw h HIS 472 Cb 0.16 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2brw h HIS 472 CO -0.39 0.77 0.04 0.28 0.86 0.00 0.00 177.93 179.49 2brw h VAL 473 N 0.49 1.19 -0.16 2.45 2.07 -0.85 -2.69 116.25 118.75 2brw h VAL 473 Ca 0.07 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2brw h VAL 473 Cb 0.71 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2brw h VAL 473 CO 0.05 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.65 2brw h ALA 474 N 0.85 1.43 -0.07 1.67 0.00 -1.08 -2.04 119.26 120.02 2brw h ALA 474 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2brw h ALA 474 Cb 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2brw h ALA 474 CO -0.00 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.70 2brw h ALA 475 N 1.59 1.89 -0.11 0.00 0.00 -0.79 -1.79 119.26 120.05 2brw h ALA 475 Ca 0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2brw h ALA 475 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2brw h ALA 475 CO 0.03 -0.09 -0.48 0.28 0.00 0.00 0.00 179.25 178.98 2brw h VAL 476 N 0.00 1.34 -0.68 0.00 2.07 -1.22 -1.52 116.25 116.24 2brw h VAL 476 Ca 0.03 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 2brw h VAL 476 Cb 0.15 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2brw h VAL 476 CO -0.00 0.51 0.34 -0.33 0.02 0.00 0.00 177.57 178.11 2brw h GLU 477 N 0.22 0.96 0.19 1.57 5.08 -1.40 -0.94 114.58 120.26 2brw h GLU 477 Ca 0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2brw h GLU 477 Cb 0.93 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2brw h GLU 477 CO 0.08 0.75 -0.09 0.28 -1.00 0.00 0.00 179.01 179.03 2brw h VAL 478 N 0.93 0.91 -0.33 3.13 2.07 -1.48 -2.89 116.25 118.59 2brw h VAL 478 Ca 0.23 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2brw h VAL 478 Cb 0.09 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2brw h VAL 478 CO -0.03 0.16 0.18 -0.07 0.02 0.00 0.00 177.57 177.83 2brw h LEU 479 N -0.62 0.29 -2.64 2.57 3.38 -1.23 0.72 115.31 117.78 2brw h LEU 479 Ca -0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2brw h LEU 479 Cb 0.45 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2brw h LEU 479 CO 0.04 0.21 -0.00 0.08 0.09 0.00 0.00 178.44 178.86 2brw h ARG 480 N 0.37 0.00 0.01 1.13 0.11 -1.23 0.23 114.38 115.00 2brw h ARG 480 Ca 0.13 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.21 2brw h ARG 480 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2brw h ARG 480 CO -0.07 0.00 -0.00 0.78 0.10 0.00 0.00 179.97 180.78 2brw h GLY 481 N 0.05 -0.01 0.66 0.08 0.00 -0.93 -2.74 103.07 100.18 2brw h GLY 481 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.46 2brw h GLY 481 CO 0.00 -0.00 0.55 -2.22 0.00 0.00 0.00 176.54 174.87 2brw h ILE 482 N -0.87 0.89 -0.50 2.60 2.04 0.87 -0.78 117.51 121.77 2brw h ILE 482 Ca -0.00 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 2brw h ILE 482 Cb 0.81 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2brw h ILE 482 CO 0.00 0.13 0.06 -0.74 0.00 0.00 0.00 178.15 177.60 2brw h HIS 483 N 0.72 0.90 -0.91 1.37 2.76 -0.68 -1.69 115.15 117.61 2brw h HIS 483 Ca 0.41 -0.13 0.09 0.00 -2.20 0.00 0.00 60.37 58.53 2brw h HIS 483 Cb 0.59 -0.24 -0.06 0.00 1.55 0.00 0.00 27.41 29.24 2brw h HIS 483 CO -0.00 0.83 0.59 0.00 -1.30 0.00 0.00 177.93 178.05 2brw h ARG 484 N 0.71 0.93 -0.18 5.26 3.08 -0.83 0.97 114.38 124.32 2brw h ARG 484 Ca 0.15 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2brw h ARG 484 Cb 0.43 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2brw h ARG 484 CO 0.01 0.62 -0.23 0.82 -1.07 0.00 0.00 179.97 180.12 2brw h ILE 485 N 0.96 1.34 -0.78 2.04 1.08 -1.15 -2.80 117.51 118.21 2brw h ILE 485 Ca 0.41 -1.42 0.04 0.00 -0.39 0.00 0.00 64.86 63.50 2brw h ILE 485 Cb 0.33 1.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.88 2brw h ILE 485 CO -0.17 0.43 0.49 0.00 -0.69 0.00 0.00 178.15 178.20 2brw h ALA 486 N 0.61 1.03 -0.64 1.87 0.00 -0.47 0.23 119.26 121.89 2brw h ALA 486 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2brw h ALA 486 Cb 0.79 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2brw h ALA 486 CO 0.05 0.27 0.42 0.22 0.00 0.00 0.00 179.25 180.22 2brw h ASP 487 N 0.93 0.73 0.23 0.00 3.58 -0.76 -2.44 116.42 118.69 2brw h ASP 487 Ca 0.32 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2brw h ASP 487 Cb 0.06 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2brw h ASP 487 CO -0.13 0.53 -0.65 1.15 -2.88 0.00 0.00 179.24 177.26 2brw n MET 488 N -4.44 0.22 -1.95 0.28 0.00 -0.76 -4.89 117.12 105.58 2brw n MET 488 Ca 0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 57.70 57.32 2brw n MET 488 Cb 0.04 -1.50 0.11 0.00 0.00 0.00 0.00 33.22 31.88 2brw n MET 488 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2brw s SER 489 N -2.89 4.15 0.04 3.17 0.01 0.74 -5.05 113.70 113.87 2brw s SER 489 Ca 0.12 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2brw s SER 489 Cb 0.17 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2brw s SER 489 CO 0.73 -2.11 0.00 -1.84 0.41 0.00 0.00 173.24 170.43 2brw n GLU 490 N -3.40 0.00 0.00 12.44 0.28 -1.26 -4.74 120.64 123.96 2brw n GLU 490 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2brw n GLU 490 Cb 0.61 -0.08 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2brw n GLU 490 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2brw n GLY 491 N 2.78 -3.47 0.30 -1.84 0.00 -1.26 -4.20 105.19 97.49 2brw n GLY 491 Ca 0.00 -1.20 0.20 0.00 0.00 0.00 0.00 46.02 45.02 2brw n GLY 491 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2brw n GLU 492 N -0.39 -0.06 -0.40 1.61 1.02 -1.26 0.14 120.64 121.30 2brw n GLU 492 Ca 0.00 1.28 -0.06 0.00 -0.02 0.00 0.00 57.16 58.36 2brw n GLU 492 Cb 0.00 -2.15 -0.04 0.00 -0.02 0.00 0.00 31.44 29.23 2brw n GLU 492 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2brw n THR 493 N -5.17 -0.60 -0.22 2.62 -1.04 -1.26 0.15 114.28 108.76 2brw n THR 493 Ca 0.26 2.34 0.02 0.00 -2.04 0.00 0.00 64.05 64.63 2brw n THR 493 Cb 0.88 -2.98 0.14 0.00 -1.82 0.00 0.00 70.33 66.55 2brw n THR 493 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2brw h LYS 494 N 0.00 0.33 -0.25 -2.82 3.64 -0.47 -1.07 116.57 115.93 2brw h LYS 494 Ca 0.24 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 2brw h LYS 494 Cb 0.48 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2brw h LYS 494 CO -0.94 0.22 -0.27 0.37 -2.27 0.00 0.00 179.45 176.55 2brw h GLN 495 N 0.34 0.64 0.00 1.90 4.15 -0.45 -1.86 115.11 119.82 2brw h GLN 495 Ca 0.35 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2brw h GLN 495 Cb 0.52 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2brw h GLN 495 CO -0.40 0.95 -0.16 0.07 -1.93 0.00 0.00 178.83 177.36 2brw h ARG 496 N 0.35 0.00 0.02 1.69 0.11 0.22 -1.49 114.38 115.29 2brw h ARG 496 Ca 0.04 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.87 2brw h ARG 496 Cb 0.84 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.89 2brw h ARG 496 CO 0.07 0.16 -1.29 -0.07 0.10 0.00 0.00 179.97 178.93 2brw h LEU 497 N 0.00 0.06 -1.09 0.08 3.38 -1.13 -2.80 115.31 113.81 2brw h LEU 497 Ca -0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2brw h LEU 497 Cb 0.49 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2brw h LEU 497 CO 0.02 1.07 -0.25 1.56 0.09 0.00 0.00 178.44 180.93 2brw h GLN 498 N 0.01 0.33 -0.22 1.13 4.20 -0.69 -1.36 115.11 118.50 2brw h GLN 498 Ca -0.13 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.29 2brw h GLN 498 Cb 1.88 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.64 2brw h GLN 498 CO 0.12 0.57 -0.59 0.77 -0.67 0.00 0.00 178.83 179.03 2brw h SER 499 N 0.30 0.81 -0.01 1.46 0.02 -1.31 -2.00 113.55 112.83 2brw h SER 499 Ca 0.05 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2brw h SER 499 Cb 0.61 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2brw h SER 499 CO 0.04 1.22 0.00 0.25 -1.14 0.00 0.00 176.83 177.21 2brw h LEU 500 N 0.54 0.01 -0.14 5.07 5.85 -1.14 0.50 115.31 126.01 2brw h LEU 500 Ca 0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2brw h LEU 500 Cb 1.17 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2brw h LEU 500 CO 0.12 0.09 0.06 0.58 -0.34 0.00 0.00 178.44 178.95 2brw h VAL 501 N -0.07 1.14 -0.51 1.05 2.07 -1.30 -2.50 116.25 116.13 2brw h VAL 501 Ca 0.00 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 2brw h VAL 501 Cb 0.08 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2brw h VAL 501 CO -0.00 0.13 -0.08 0.50 0.02 0.00 0.00 177.57 178.14 2brw h LYS 502 N 0.08 0.92 -0.27 1.57 3.64 -1.29 0.15 116.57 121.37 2brw h LYS 502 Ca 0.05 -0.31 -0.16 0.00 -1.27 0.00 0.00 60.65 58.95 2brw h LYS 502 Cb 0.15 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2brw h LYS 502 CO -0.00 0.96 -0.50 0.00 -2.27 0.00 0.00 179.45 177.64 2brw h THR 503 N 0.83 1.29 -0.21 1.00 1.03 -0.91 -1.48 112.91 114.47 2brw h THR 503 Ca 0.14 -1.70 -0.18 0.00 -0.01 0.00 0.00 66.41 64.67 2brw h THR 503 Cb 0.60 1.61 -0.00 0.00 -1.07 0.00 0.00 68.15 69.29 2brw h THR 503 CO 0.04 0.54 -0.59 0.40 -0.01 0.00 0.00 175.52 175.90 2brw h ILE 504 N 0.58 1.31 -0.30 0.00 2.04 -1.32 -1.94 117.51 117.87 2brw h ILE 504 Ca 0.03 -1.83 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 2brw h ILE 504 Cb 1.06 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2brw h ILE 504 CO 0.10 0.58 -0.06 0.58 0.00 0.00 0.00 178.15 179.35 2brw h VAL 505 N 0.51 1.28 0.00 1.67 2.07 -0.65 -2.72 116.25 118.40 2brw h VAL 505 Ca -0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2brw h VAL 505 Cb 1.17 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2brw h VAL 505 CO 0.12 0.35 0.00 1.56 0.02 0.00 0.00 177.57 179.62 2brw h GLN 506 N 0.35 0.00 -0.00 1.57 4.20 -1.23 -2.37 115.11 117.62 2brw h GLN 506 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2brw h GLN 506 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2brw h GLN 506 CO 0.03 0.00 -0.14 -1.13 -0.67 0.00 0.00 178.83 176.91 2brw n SER 507 N -2.46 0.53 -4.29 1.46 3.41 -0.73 -4.66 113.62 106.88 2brw n SER 507 Ca 0.01 -0.56 -0.45 0.00 -0.26 0.00 0.00 58.87 57.61 2brw n SER 507 Cb 0.20 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 2brw n SER 507 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2brw s ASP 508 N -2.53 6.23 0.00 4.04 -1.08 -0.89 -4.62 116.67 117.82 2brw s ASP 508 Ca 0.27 -2.12 0.27 0.00 -0.52 0.00 0.00 52.55 50.44 2brw s ASP 508 Cb 0.20 -2.16 0.79 0.00 -1.46 0.00 0.00 42.92 40.29 2brw s ASP 508 CO 0.49 -0.73 1.59 -1.54 0.52 0.00 0.00 175.17 175.51 2brw n SER 509 N 4.75 0.77 -0.04 -0.34 3.41 -1.26 -4.21 113.62 116.70 2brw n SER 509 Ca -0.04 -0.64 -0.22 0.00 -0.26 0.00 0.00 58.87 57.71 2brw n SER 509 Cb 0.42 0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 2brw n SER 509 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2brw n TYR 510 N -0.93 1.02 -4.92 7.33 9.36 -1.26 -4.94 117.16 122.81 2brw n TYR 510 Ca 0.11 0.27 -0.33 0.00 3.32 0.00 0.00 57.90 61.27 2brw n TYR 510 Cb 0.33 -1.13 -0.14 0.00 -0.63 0.00 0.00 39.34 37.77 2brw n TYR 510 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 2brw s TYR 511 N -2.51 2.69 -0.63 2.98 5.04 -1.26 -5.07 117.35 118.60 2brw s TYR 511 Ca -0.26 -0.49 -0.27 0.00 -2.44 0.00 0.00 57.07 53.61 2brw s TYR 511 Cb 0.07 -1.71 0.01 0.00 0.35 0.00 0.00 41.96 40.68 2brw s TYR 511 CO 0.70 -0.07 1.46 0.34 -1.34 0.00 0.00 175.55 176.64 2brw s ASP 512 N -0.16 5.97 0.32 4.32 -1.08 -1.26 -4.89 116.67 119.89 2brw s ASP 512 Ca -0.01 0.05 0.09 0.00 -0.52 0.00 0.00 52.55 52.16 2brw s ASP 512 Cb -0.14 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.69 2brw s ASP 512 CO 0.03 -1.88 1.68 1.62 0.52 0.00 0.00 175.17 177.14 2brw h VAL 513 N 6.36 0.39 -0.01 1.11 3.04 -1.93 -0.58 116.25 124.64 2brw h VAL 513 Ca -0.27 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2brw h VAL 513 Cb 1.09 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.35 2brw h VAL 513 CO 1.22 0.07 0.01 -0.26 -1.01 0.00 0.00 177.57 177.60 2brw h PHE 514 N 0.38 0.00 0.00 3.17 0.04 -1.97 -2.40 116.94 116.16 2brw h PHE 514 Ca 0.65 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.42 2brw h PHE 514 Cb 1.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.51 2brw h PHE 514 CO -0.08 0.00 -0.01 0.87 -0.60 0.00 0.00 178.31 178.50 2brw h LYS 515 N 0.00 0.00 -0.50 1.51 1.57 -1.51 -2.97 116.57 114.66 2brw h LYS 515 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.44 2brw h LYS 515 Cb 0.02 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.09 2brw h LYS 515 CO -0.00 0.01 -0.42 -1.71 -0.57 0.00 0.00 179.45 176.76 2brw n ASN 516 N -3.14 3.85 -3.98 0.86 5.15 -0.90 -4.86 115.26 112.24 2brw n ASN 516 Ca -0.02 -3.80 -0.31 0.00 -0.60 0.00 0.00 54.58 49.85 2brw n ASN 516 Cb 0.13 -0.51 -0.15 0.00 -0.53 0.00 0.00 39.78 38.72 2brw n ASN 516 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2brw s LEU 517 N -3.46 4.48 0.00 1.20 1.43 -1.13 -4.77 118.68 116.43 2brw s LEU 517 Ca 0.48 -2.44 0.18 0.00 -1.03 0.00 0.00 54.13 51.31 2brw s LEU 517 Cb 0.41 -1.59 0.89 0.00 0.03 0.00 0.00 46.19 45.92 2brw s LEU 517 CO -0.00 -0.33 1.60 0.29 0.23 0.00 0.00 176.35 178.14 2brw n LYS 518 N 3.87 1.29 -4.60 1.70 5.02 -1.26 -4.72 118.16 119.46 2brw n LYS 518 Ca 0.04 -0.44 -0.25 0.00 -2.02 0.00 0.00 58.31 55.65 2brw n LYS 518 Cb 0.38 -1.31 -0.14 0.00 -0.02 0.00 0.00 35.03 33.94 2brw n LYS 518 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2brw s THR 519 N -1.91 1.61 0.43 -0.18 -4.23 -1.26 -5.04 115.64 105.06 2brw s THR 519 Ca 0.28 -1.19 0.09 0.00 -1.18 0.00 0.00 61.69 59.69 2brw s THR 519 Cb 0.14 -1.40 0.25 0.00 1.34 0.00 0.00 72.50 72.83 2brw s THR 519 CO 0.22 0.17 2.06 1.88 -0.54 0.00 0.00 174.62 178.41 2brw h TYR 520 N 4.85 0.37 0.39 3.99 0.05 -1.86 -2.02 116.97 122.73 2brw h TYR 520 Ca -0.42 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.34 2brw h TYR 520 Cb 1.16 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.78 2brw h TYR 520 CO 0.51 0.26 -0.19 -0.22 -1.05 0.00 0.00 178.16 177.47 2brw h LYS 521 N 0.39 -0.51 -0.41 4.88 3.64 -1.82 -1.35 116.57 121.39 2brw h LYS 521 Ca 0.10 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 2brw h LYS 521 Cb 0.01 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.87 2brw h LYS 521 CO -0.02 -0.26 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.41 2brw h ASP 522 N -0.67 -0.27 -0.56 4.20 3.32 -1.84 0.18 116.42 120.77 2brw h ASP 522 Ca -0.05 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2brw h ASP 522 Cb 0.48 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 2brw h ASP 522 CO 0.09 -0.09 0.34 0.40 -1.72 0.00 0.00 179.24 178.25 2brw h ILE 523 N 0.05 1.06 0.19 0.35 2.04 -1.35 -1.63 117.51 118.21 2brw h ILE 523 Ca 0.20 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2brw h ILE 523 Cb 0.30 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2brw h ILE 523 CO -0.38 0.12 -0.09 -1.28 0.00 0.00 0.00 178.15 176.52 2brw h SER 524 N 0.67 -0.22 -0.96 1.72 0.87 -0.27 -1.13 113.55 114.22 2brw h SER 524 Ca 0.23 -0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.90 2brw h SER 524 Cb 0.03 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 61.96 2brw h SER 524 CO -0.10 -0.13 0.61 -0.07 -0.53 0.00 0.00 176.83 176.61 2brw h LEU 525 N -0.29 0.83 0.00 2.23 3.38 -0.45 -1.69 115.31 119.32 2brw h LEU 525 Ca -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2brw h LEU 525 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2brw h LEU 525 CO 0.04 0.44 -0.00 -0.03 0.09 0.00 0.00 178.44 178.98 2brw h MET 526 N 0.89 -0.00 -0.93 1.13 4.05 -0.94 -1.05 114.93 118.08 2brw h MET 526 Ca 0.48 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.98 2brw h MET 526 Cb 0.56 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.29 2brw h MET 526 CO -0.24 0.51 0.58 0.37 0.23 0.00 0.00 176.91 178.35 2brw h GLN 527 N -0.51 0.97 0.38 0.39 -0.00 -0.97 -0.15 115.11 115.22 2brw h GLN 527 Ca -0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 2brw h GLN 527 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.77 2brw h GLN 527 CO 0.00 0.64 -0.18 0.77 0.00 0.00 0.00 178.83 180.06 2brw h SER 528 N 1.00 -0.43 -0.46 -0.69 0.02 -1.28 -2.75 113.55 108.95 2brw h SER 528 Ca 0.42 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 61.37 2brw h SER 528 Cb 0.28 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 2brw h SER 528 CO -0.21 -0.17 0.05 0.25 -1.14 0.00 0.00 176.83 175.61 2brw h LEU 529 N -0.70 -0.09 -1.70 5.07 5.85 -0.86 -1.08 115.31 121.81 2brw h LEU 529 Ca -0.05 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2brw h LEU 529 Cb 0.49 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2brw h LEU 529 CO 0.09 -0.01 0.00 -0.07 -0.34 0.00 0.00 178.44 178.10 2brw h LEU 530 N 0.17 0.00 -3.78 2.25 3.38 -0.94 -2.74 115.31 113.65 2brw h LEU 530 Ca 0.23 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.64 2brw h LEU 530 Cb 0.32 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.68 2brw h LEU 530 CO -0.34 0.00 -0.47 -1.20 0.09 0.00 0.00 178.44 176.52 2brw n SER 531 N -2.47 5.35 -3.65 -0.43 7.64 -0.41 -4.92 113.62 114.73 2brw n SER 531 Ca -0.01 -3.76 -0.29 0.00 1.01 0.00 0.00 58.87 55.81 2brw n SER 531 Cb 0.07 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 62.67 2brw n SER 531 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2brw s ASP 532 N -3.23 3.55 0.44 6.43 2.15 -1.04 -4.95 116.67 120.02 2brw s ASP 532 Ca 0.53 -2.30 0.26 0.00 0.43 0.00 0.00 52.55 51.47 2brw s ASP 532 Cb 0.43 -0.83 1.44 0.00 -0.30 0.00 0.00 42.92 43.66 2brw s ASP 532 CO 0.03 -0.31 1.79 0.00 -0.17 0.00 0.00 175.17 176.51 2brw h ALA 533 N 7.09 1.07 -0.09 3.66 0.00 -1.91 0.23 119.26 129.32 2brw h ALA 533 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2brw h ALA 533 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2brw h ALA 533 CO 0.42 -0.07 -0.20 0.78 0.00 0.00 0.00 179.25 180.18 2brw h GLY 534 N 0.00 0.15 -7.12 0.00 0.00 -1.96 -3.38 103.07 90.76 2brw h GLY 534 Ca 0.00 -0.10 -0.65 0.00 0.00 0.00 0.00 47.33 46.58 2brw h GLY 534 CO 0.00 0.09 0.04 0.14 0.00 0.00 0.00 176.54 176.81 2brw s VAL 535 N -4.58 4.93 0.90 4.60 1.01 0.80 -5.05 120.40 123.01 2brw s VAL 535 Ca -0.05 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 2brw s VAL 535 Cb 0.15 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.52 2brw s VAL 535 CO 0.72 -0.39 0.74 0.00 0.00 0.00 0.00 175.10 176.18 2brw n ALA 536 N 5.98 -1.63 -3.14 5.51 0.00 -1.26 -4.92 120.51 121.06 2brw n ALA 536 Ca -0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 2brw n ALA 536 Cb 0.48 -1.98 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 2brw n ALA 536 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2brw s SER 537 N -2.16 0.16 -0.13 0.00 0.15 -1.26 -4.54 113.70 105.92 2brw s SER 537 Ca 0.63 -2.23 -0.03 0.00 0.70 0.00 0.00 55.95 55.01 2brw s SER 537 Cb -0.24 0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 2brw s SER 537 CO 0.62 -0.14 -0.01 -0.69 1.20 0.00 0.00 173.24 174.22 2brw s VAL 538 N 0.66 4.16 0.10 4.45 1.01 -1.26 -4.94 120.40 124.57 2brw s VAL 538 Ca 0.29 -0.28 -0.34 0.00 0.00 0.00 0.00 61.98 61.64 2brw s VAL 538 Cb -0.01 -2.79 -0.14 0.00 0.00 0.00 0.00 36.38 33.44 2brw s VAL 538 CO -0.11 0.54 1.62 -2.65 0.00 0.00 0.00 175.10 174.50 2brw n PRO 539 N 2.95 2.06 -1.50 2.72 -0.02 -1.26 -4.87 135.00 135.08 2brw n PRO 539 Ca -0.18 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 2brw n PRO 539 Cb 0.53 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.53 2brw n PRO 539 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2brw n ARG 540 N 4.01 0.61 -2.30 -0.52 1.74 -1.26 -4.99 116.66 113.95 2brw n ARG 540 Ca 0.18 0.24 -0.27 0.00 -0.77 0.00 0.00 57.85 57.23 2brw n ARG 540 Cb 0.28 -1.80 0.03 0.00 -1.02 0.00 0.00 32.46 29.95 2brw n ARG 540 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2brw s THR 541 N -1.66 3.64 0.78 0.55 -1.32 -1.26 -4.67 115.64 111.70 2brw s THR 541 Ca 0.70 0.10 -0.14 0.00 -1.21 0.00 0.00 61.69 61.14 2brw s THR 541 Cb -0.45 -3.46 0.06 0.00 -1.51 0.00 0.00 72.50 67.14 2brw s THR 541 CO 0.53 -0.51 1.13 -1.20 -2.21 0.00 0.00 174.62 172.36 2brw n SER 542 N -2.66 0.86 -3.51 8.08 7.64 -1.26 -4.70 113.62 118.07 2brw n SER 542 Ca 0.05 0.61 -0.12 0.00 1.01 0.00 0.00 58.87 60.42 2brw n SER 542 Cb 0.57 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.26 2brw n SER 542 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2brw s TYR 543 N -2.02 -0.46 -0.19 1.43 -0.85 -0.47 -4.95 117.35 109.85 2brw s TYR 543 Ca 0.73 0.55 -0.05 0.00 -0.52 0.00 0.00 57.07 57.78 2brw s TYR 543 Cb -0.31 0.49 0.07 0.00 0.38 0.00 0.00 41.96 42.59 2brw s TYR 543 CO 0.51 -0.56 0.09 -1.17 -1.52 0.00 0.00 175.55 172.90 2brw s LEU 544 N -1.88 0.40 -0.17 -3.49 0.20 -1.18 -0.79 118.68 111.76 2brw s LEU 544 Ca -0.01 -0.71 -0.15 0.00 0.69 0.00 0.00 54.13 53.95 2brw s LEU 544 Cb -0.01 -0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.44 2brw s LEU 544 CO -0.03 -0.36 0.33 -0.44 -0.29 0.00 0.00 176.35 175.56 2brw s SER 545 N 2.13 6.44 -0.63 3.68 0.01 0.14 -4.89 113.70 120.57 2brw s SER 545 Ca 0.03 0.51 -0.05 0.00 1.31 0.00 0.00 55.95 57.75 2brw s SER 545 Cb -0.16 -2.20 0.16 0.00 0.21 0.00 0.00 66.02 64.03 2brw s SER 545 CO -0.13 0.04 0.47 0.00 0.41 0.00 0.00 173.24 174.03 2brw s ALA 546 N 0.74 3.62 -1.47 1.44 0.00 -1.26 -1.56 121.76 123.26 2brw s ALA 546 Ca 0.17 -3.19 -0.10 0.00 0.00 0.00 0.00 51.96 48.84 2brw s ALA 546 Cb -0.14 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.24 2brw s ALA 546 CO 0.05 -2.10 2.48 1.19 0.00 0.00 0.00 175.76 177.39 2brw n PHE 547 N 3.68 2.82 0.05 0.00 3.72 -0.13 -4.73 117.46 122.88 2brw n PHE 547 Ca 0.07 -2.96 0.13 0.00 -0.05 0.00 0.00 57.45 54.64 2brw n PHE 547 Cb 0.39 -2.29 0.59 0.00 -0.94 0.00 0.00 39.48 37.24 2brw n PHE 547 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2brw h ASN 548 N 5.29 0.16 0.21 4.37 2.35 -1.91 -0.48 115.58 125.56 2brw h ASN 548 Ca 0.69 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.44 2brw h ASN 548 Cb 0.43 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2brw h ASN 548 CO 1.72 0.10 0.00 0.29 -1.65 0.00 0.00 177.43 177.89 2brw n LYS 549 N -4.46 0.37 -0.28 0.81 4.76 -1.26 -2.70 118.16 115.40 2brw n LYS 549 Ca 0.06 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2brw n LYS 549 Cb 0.34 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2brw n LYS 549 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2brw n MET 550 N -1.18 0.00 -3.85 1.97 0.00 -0.34 -4.91 117.12 108.81 2brw n MET 550 Ca 0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 57.70 56.80 2brw n MET 550 Cb 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 33.22 32.84 2brw n MET 550 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2brw n ASP 551 N 0.00 -0.81 -3.89 3.17 8.00 -0.35 -4.80 116.55 117.88 2brw n ASP 551 Ca 0.00 -0.92 -0.11 0.00 0.71 0.00 0.00 54.79 54.47 2brw n ASP 551 Cb 0.61 -3.49 -0.11 0.00 -0.02 0.00 0.00 41.12 38.11 2brw n ASP 551 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2brw s LYS 552 N -6.32 0.32 -0.01 -1.24 -0.14 -1.07 -1.85 119.74 109.42 2brw s LYS 552 Ca 0.03 -0.28 0.03 0.00 -1.36 0.00 0.00 55.97 54.40 2brw s LYS 552 Cb -0.02 0.13 -0.01 0.00 -1.68 0.00 0.00 37.83 36.26 2brw s LYS 552 CO 0.86 -0.06 -0.12 0.99 -0.76 0.00 0.00 175.35 176.25 2brw s THR 553 N -0.92 0.94 -0.10 2.17 2.01 -0.93 -0.95 115.64 117.85 2brw s THR 553 Ca -0.10 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2brw s THR 553 Cb -0.06 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.68 2brw s THR 553 CO 0.00 0.27 -0.12 0.00 -0.69 0.00 0.00 174.62 174.09 2brw s ALA 554 N -0.18 1.46 0.03 7.40 0.00 -0.60 -1.60 121.76 128.26 2brw s ALA 554 Ca 0.03 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.49 2brw s ALA 554 Cb -0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 2brw s ALA 554 CO -0.00 -0.14 -0.25 1.41 0.00 0.00 0.00 175.76 176.77 2brw s MET 555 N 1.14 1.92 -0.07 0.00 0.00 0.18 -0.68 119.30 121.79 2brw s MET 555 Ca -0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 55.69 54.57 2brw s MET 555 Cb -0.14 -2.02 0.04 0.00 0.00 0.00 0.00 34.83 32.71 2brw s MET 555 CO -0.03 0.53 0.13 -0.47 0.00 0.00 0.00 175.02 175.18 2brw s TYR 556 N -0.76 -0.10 -0.44 4.11 5.04 0.03 -0.02 117.35 125.20 2brw s TYR 556 Ca 0.11 0.49 -0.12 0.00 -2.44 0.00 0.00 57.07 55.12 2brw s TYR 556 Cb -0.10 -0.33 0.07 0.00 0.35 0.00 0.00 41.96 41.95 2brw s TYR 556 CO 0.01 -0.25 0.32 1.21 -1.34 0.00 0.00 175.55 175.50 2brw s ASN 557 N 2.26 5.88 0.43 4.32 3.84 -0.30 -1.37 114.94 130.00 2brw s ASN 557 Ca 0.04 -1.37 0.20 0.00 0.21 0.00 0.00 52.86 51.94 2brw s ASN 557 Cb -0.12 -2.08 0.99 0.00 -0.55 0.00 0.00 41.25 39.48 2brw s ASN 557 CO -0.05 -0.57 1.89 0.00 -2.79 0.00 0.00 177.10 175.58 2brw h ALA 558 N 8.57 1.23 0.55 1.71 0.00 -1.84 -1.25 119.26 128.23 2brw h ALA 558 Ca -0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2brw h ALA 558 Cb 1.10 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2brw h ALA 558 CO 0.80 0.33 -0.27 1.49 0.00 0.00 0.00 179.25 181.61 2brw h GLU 559 N 0.00 -0.72 -0.02 0.00 4.81 -1.92 -3.26 114.58 113.49 2brw h GLU 559 Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2brw h GLU 559 Cb 0.61 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2brw h GLU 559 CO 0.03 -0.41 -0.12 1.63 -0.73 0.00 0.00 179.01 179.41 2brw n LYS 560 N -5.34 1.52 -2.51 1.92 5.02 -1.22 -4.99 118.16 112.56 2brw n LYS 560 Ca -0.12 -1.03 -0.08 0.00 -2.02 0.00 0.00 58.31 55.06 2brw n LYS 560 Cb 0.33 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 2brw n LYS 560 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2brw n GLY 561 N 1.28 -0.16 3.27 0.72 0.00 -0.51 -4.88 105.19 104.92 2brw n GLY 561 Ca 0.15 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 2brw n GLY 561 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2brw s PHE 562 N -3.21 -0.13 0.18 1.61 -0.12 -0.98 -4.64 117.98 110.69 2brw s PHE 562 Ca 0.20 -0.02 0.11 0.00 -0.05 0.00 0.00 56.93 57.16 2brw s PHE 562 Cb -0.03 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 2brw s PHE 562 CO 0.40 -0.55 -0.24 0.20 -0.05 0.00 0.00 175.22 174.98 2brw s GLY 563 N -2.20 1.66 -0.04 1.99 0.00 0.01 -1.15 107.32 107.59 2brw s GLY 563 Ca -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.09 2brw s GLY 563 CO -0.05 -1.62 -0.01 -0.12 0.00 0.00 0.00 173.10 171.31 2brw s PHE 564 N -1.59 0.48 -0.12 1.90 5.36 0.96 -1.01 117.98 123.96 2brw s PHE 564 Ca 0.19 -0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.12 2brw s PHE 564 Cb -0.08 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.04 2brw s PHE 564 CO 0.09 -0.19 -0.21 0.20 -1.46 0.00 0.00 175.22 173.65 2brw s GLY 565 N 1.27 1.38 -0.22 13.12 0.00 0.14 -0.65 107.32 122.37 2brw s GLY 565 Ca -0.06 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.63 2brw s GLY 565 CO -0.02 -0.18 -0.09 -2.27 0.00 0.00 0.00 173.10 170.54 2brw s LEU 566 N 0.54 2.75 -0.36 0.66 2.96 -0.63 0.13 118.68 124.74 2brw s LEU 566 Ca -0.13 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 2brw s LEU 566 Cb -0.17 -1.66 0.05 0.00 0.50 0.00 0.00 46.19 44.91 2brw s LEU 566 CO 0.04 -0.04 0.15 -0.55 -1.32 0.00 0.00 176.35 174.64 2brw s SER 567 N 1.40 5.45 0.00 3.68 0.15 0.30 -2.20 113.70 122.49 2brw s SER 567 Ca 0.05 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2brw s SER 567 Cb -0.14 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2brw s SER 567 CO -0.06 -0.38 0.00 0.18 1.20 0.00 0.00 173.24 174.18 2brw n LEU 568 N 4.86 0.00 -3.62 3.45 4.77 -0.77 -2.24 117.00 123.45 2brw n LEU 568 Ca -0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 2brw n LEU 568 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2brw n LEU 568 CO 0.34 0.00 1.02 0.72 -1.33 0.00 0.00 177.39 178.13 2brw s PHE 569 N -0.14 -0.08 0.00 -1.77 -0.71 -1.23 -4.81 117.98 109.24 2brw s PHE 569 Ca 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.87 2brw s PHE 569 Cb 0.00 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.35 2brw s PHE 569 CO 0.00 -0.29 0.00 -1.13 -1.34 0.00 0.00 175.22 172.46 2brw n SER 570 N -0.36 0.00 0.03 1.98 3.41 -1.18 -4.81 113.62 112.68 2brw n SER 570 Ca -0.06 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.61 2brw n SER 570 Cb 0.61 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.82 2brw n SER 570 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2brw n SER 571 N 0.00 0.12 -0.18 4.04 3.41 -0.81 -1.12 113.62 119.08 2brw n SER 571 Ca 0.00 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2brw n SER 571 Cb 0.00 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.34 2brw n SER 571 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2brw n ARG 572 N -1.64 1.66 -3.87 4.33 1.74 -1.26 -4.79 116.66 112.83 2brw n ARG 572 Ca 0.02 -0.39 -0.11 0.00 -0.77 0.00 0.00 57.85 56.60 2brw n ARG 572 Cb 0.12 -1.28 -0.11 0.00 -1.02 0.00 0.00 32.46 30.17 2brw n ARG 572 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2brw s THR 573 N -2.27 0.06 0.38 0.55 -4.23 -0.72 -4.80 115.64 104.62 2brw s THR 573 Ca 0.10 -0.52 -0.24 0.00 -1.18 0.00 0.00 61.69 59.84 2brw s THR 573 Cb 0.13 -0.35 -0.09 0.00 1.34 0.00 0.00 72.50 73.53 2brw s THR 573 CO 0.55 -0.29 1.03 -0.22 -0.54 0.00 0.00 174.62 175.16 2brw s LEU 574 N -0.99 4.18 0.22 4.79 2.96 0.14 -3.10 118.68 126.89 2brw s LEU 574 Ca -0.11 2.00 0.05 0.00 -0.22 0.00 0.00 54.13 55.86 2brw s LEU 574 Cb -0.06 -4.15 0.20 0.00 0.50 0.00 0.00 46.19 42.67 2brw s LEU 574 CO 0.01 -0.41 1.52 -0.55 -1.32 0.00 0.00 176.35 175.60 2brw h ASN 575 N 2.62 0.21 -4.12 3.68 -1.07 -1.75 -3.45 115.58 111.70 2brw h ASN 575 Ca -0.48 -0.13 0.08 0.00 0.07 0.00 0.00 56.30 55.83 2brw h ASN 575 Cb 1.21 -0.06 -0.23 0.00 -2.07 0.00 0.00 38.32 37.17 2brw h ASN 575 CO 0.63 0.83 0.53 -0.72 0.07 0.00 0.00 177.43 178.77 2brw s TYR 576 N -3.58 -0.38 -0.21 4.14 1.13 -1.26 -4.19 117.35 113.00 2brw s TYR 576 Ca -0.03 0.66 -0.08 0.00 -1.41 0.00 0.00 57.07 56.21 2brw s TYR 576 Cb 0.12 0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 41.38 2brw s TYR 576 CO 0.80 -0.35 0.08 -2.00 -2.51 0.00 0.00 175.55 171.57 2brw s GLU 577 N -1.07 3.89 -0.36 -3.49 2.12 -1.26 -3.48 118.70 115.06 2brw s GLU 577 Ca -0.02 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.94 2brw s GLU 577 Cb -0.01 -3.28 0.11 0.00 0.26 0.00 0.00 34.13 31.21 2brw s GLU 577 CO 0.02 0.12 0.15 -1.58 -0.54 0.00 0.00 175.26 173.42 2brw s HIS 578 N 0.81 1.94 -0.00 5.30 5.65 -1.26 -4.30 115.29 123.43 2brw s HIS 578 Ca 0.04 -2.08 -0.09 0.00 0.25 0.00 0.00 55.06 53.18 2brw s HIS 578 Cb -0.13 -1.85 0.01 0.00 -1.18 0.00 0.00 32.58 29.42 2brw s HIS 578 CO 0.02 -0.85 0.18 0.00 -0.65 0.00 0.00 174.74 173.45 2brw s MET 579 N 1.10 0.52 -1.35 2.88 0.23 -1.19 -4.84 119.30 116.65 2brw s MET 579 Ca 0.13 -0.33 0.00 0.00 -1.03 0.00 0.00 55.69 54.46 2brw s MET 579 Cb -0.20 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 2brw s MET 579 CO -0.14 -0.13 0.00 0.09 -2.03 0.00 0.00 175.02 172.81 2brw n ASN 580 N 1.44 -4.56 -1.13 -1.18 3.02 -1.26 -2.37 115.26 109.21 2brw n ASN 580 Ca -0.22 0.10 -0.11 0.00 -0.03 0.00 0.00 54.58 54.32 2brw n ASN 580 Cb 0.56 -3.61 -0.02 0.00 -0.61 0.00 0.00 39.78 36.10 2brw n ASN 580 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2brw n LYS 581 N -2.46 -0.84 -4.93 3.52 5.02 -1.26 -4.83 118.16 112.37 2brw n LYS 581 Ca -0.17 0.63 -0.32 0.00 -2.02 0.00 0.00 58.31 56.43 2brw n LYS 581 Cb 0.59 -4.70 -0.13 0.00 -0.02 0.00 0.00 35.03 30.76 2brw n LYS 581 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2brw s GLU 582 N -4.08 2.44 -1.09 1.97 2.02 -1.00 -1.68 118.70 117.29 2brw s GLU 582 Ca 0.00 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.24 2brw s GLU 582 Cb 0.00 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2brw s GLU 582 CO 0.00 0.61 0.92 -1.71 0.02 0.00 0.00 175.26 175.11 2brw n ASN 583 N 2.30 -3.79 0.27 -0.19 5.15 0.12 -3.17 115.26 115.95 2brw n ASN 583 Ca -0.17 -0.63 0.18 0.00 -0.60 0.00 0.00 54.58 53.37 2brw n ASN 583 Cb 0.52 -4.95 0.87 0.00 -0.53 0.00 0.00 39.78 35.69 2brw n ASN 583 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2brw h LYS 584 N -1.50 0.00 -0.26 1.20 1.57 -1.72 -3.26 116.57 112.60 2brw h LYS 584 Ca -0.57 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 57.99 2brw h LYS 584 Cb 1.31 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.35 2brw h LYS 584 CO 0.45 0.00 -0.82 0.54 -0.57 0.00 0.00 179.45 179.05 2brw n ARG 585 N -2.89 1.73 -0.45 3.15 1.74 -1.26 -4.56 116.66 114.12 2brw n ARG 585 Ca -0.01 -3.24 -0.01 0.00 -0.77 0.00 0.00 57.85 53.82 2brw n ARG 585 Cb 0.17 -1.39 0.15 0.00 -1.02 0.00 0.00 32.46 30.37 2brw n ARG 585 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2brw n GLY 586 N -0.53 2.46 0.29 -0.13 0.00 -1.23 -4.63 105.19 101.42 2brw n GLY 586 Ca 0.20 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.83 2brw n GLY 586 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2brw n TRP 587 N 0.12 0.29 -0.15 1.61 8.01 -1.26 -2.21 117.44 123.85 2brw n TRP 587 Ca 0.17 1.00 0.06 0.00 -1.31 0.00 0.00 57.50 57.41 2brw n TRP 587 Cb 0.78 -0.97 0.15 0.00 -2.01 0.00 0.00 31.31 29.26 2brw n TRP 587 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2brw n TYR 588 N -5.33 0.46 0.63 -5.99 4.01 -1.26 -4.64 117.16 105.03 2brw n TYR 588 Ca 0.13 -0.47 0.01 0.00 -0.16 0.00 0.00 57.90 57.41 2brw n TYR 588 Cb 0.41 -0.02 0.05 0.00 -0.31 0.00 0.00 39.34 39.46 2brw n TYR 588 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2brw n THR 589 N 0.56 0.00 -0.97 -0.72 -2.24 -0.94 -1.49 114.28 108.49 2brw n THR 589 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2brw n THR 589 Cb 0.43 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2brw n THR 589 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2brw n SER 590 N -0.58 0.05 -2.67 3.42 7.64 -1.26 -4.60 113.62 115.61 2brw n SER 590 Ca 0.01 -1.02 -0.30 0.00 1.01 0.00 0.00 58.87 58.57 2brw n SER 590 Cb 0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 2brw n SER 590 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2brw n ASP 591 N -0.01 6.79 0.00 6.43 9.92 -0.55 -3.54 116.55 135.59 2brw n ASP 591 Ca 0.00 -3.30 0.00 0.00 -0.53 0.00 0.00 54.79 50.96 2brw n ASP 591 Cb 0.38 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 2brw n ASP 591 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2brw n GLY 592 N 0.75 0.76 3.76 0.44 0.00 -1.04 -4.23 105.19 105.64 2brw n GLY 592 Ca 0.51 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2brw n GLY 592 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2brw s MET 593 N -1.60 4.52 0.14 1.61 0.00 -0.95 -4.12 119.30 118.90 2brw s MET 593 Ca 0.00 1.98 0.10 0.00 0.00 0.00 0.00 55.69 57.76 2brw s MET 593 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 34.83 31.65 2brw s MET 593 CO 0.00 0.05 -0.23 -0.59 0.00 0.00 0.00 175.02 174.25 2brw s PHE 594 N -1.15 2.05 -0.05 4.11 -0.71 -1.00 0.11 117.98 121.33 2brw s PHE 594 Ca 0.46 -0.40 0.04 0.00 -1.04 0.00 0.00 56.93 55.99 2brw s PHE 594 Cb -0.35 -1.08 -0.00 0.00 -1.21 0.00 0.00 43.02 40.37 2brw s PHE 594 CO 0.46 0.32 -0.19 0.71 -1.34 0.00 0.00 175.22 175.18 2brw s TYR 595 N -1.36 1.95 -0.24 3.49 1.51 0.36 -4.82 117.35 118.23 2brw s TYR 595 Ca 0.13 -0.61 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 2brw s TYR 595 Cb -0.09 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2brw s TYR 595 CO 0.06 -0.22 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.03 2brw s LEU 596 N 0.09 3.10 -0.37 -1.29 2.96 -1.26 0.28 118.68 122.18 2brw s LEU 596 Ca -0.06 -0.90 -0.13 0.00 -0.22 0.00 0.00 54.13 52.82 2brw s LEU 596 Cb -0.13 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2brw s LEU 596 CO 0.03 -0.12 0.24 -0.31 -1.32 0.00 0.00 176.35 174.87 2brw s TYR 597 N 1.30 3.23 0.00 5.38 2.02 -0.18 -4.96 117.35 124.13 2brw s TYR 597 Ca -0.00 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 2brw s TYR 597 Cb -0.17 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 2brw s TYR 597 CO -0.05 -0.54 0.00 0.27 -1.57 0.00 0.00 175.55 173.65 2brw n ASN 598 N 5.07 0.00 -0.04 2.29 0.23 -1.26 -0.81 115.26 120.75 2brw n ASN 598 Ca -0.12 0.00 0.17 0.00 -0.53 0.00 0.00 54.58 54.10 2brw n ASN 598 Cb 0.48 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.79 2brw n ASN 598 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2brw h GLY 599 N 0.00 0.25 -7.41 4.83 0.00 -1.46 -3.34 103.07 95.94 2brw h GLY 599 Ca 0.00 -0.07 -0.66 0.00 0.00 0.00 0.00 47.33 46.60 2brw h GLY 599 CO 0.00 0.03 1.27 -0.35 0.00 0.00 0.00 176.54 177.49 2brw s ASP 600 N -6.20 6.66 0.00 0.19 2.15 -1.26 -4.85 116.67 113.36 2brw s ASP 600 Ca -0.06 -2.01 0.08 0.00 0.43 0.00 0.00 52.55 51.00 2brw s ASP 600 Cb 0.20 -2.48 0.46 0.00 -0.30 0.00 0.00 42.92 40.81 2brw s ASP 600 CO 0.74 -1.18 1.05 0.18 -0.17 0.00 0.00 175.17 175.79 2brw n LEU 601 N 7.41 0.00 -0.70 -1.34 4.32 -1.25 -2.45 117.00 122.98 2brw n LEU 601 Ca 0.31 0.15 0.08 0.00 -0.02 0.00 0.00 56.01 56.54 2brw n LEU 601 Cb 0.49 -0.15 0.09 0.00 -1.62 0.00 0.00 43.42 42.22 2brw n LEU 601 CO 0.60 -0.11 0.53 -1.54 -1.22 0.00 0.00 177.39 175.65 2brw n SER 602 N -1.15 2.50 -0.16 -1.43 3.41 -1.26 -4.72 113.62 110.81 2brw n SER 602 Ca 0.05 -1.73 -0.04 0.00 -0.26 0.00 0.00 58.87 56.89 2brw n SER 602 Cb 0.05 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 2brw n SER 602 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2brw h HIS 603 N 3.27 -0.60 -0.28 7.33 6.17 -1.83 -0.83 115.15 128.39 2brw h HIS 603 Ca 0.00 0.06 -0.02 0.00 0.71 0.00 0.00 60.37 61.12 2brw h HIS 603 Cb 0.72 0.34 -0.01 0.00 2.52 0.00 0.00 27.41 30.98 2brw h HIS 603 CO 0.04 -0.32 0.02 0.66 0.71 0.00 0.00 177.93 179.04 2brw n TYR 604 N -5.42 1.01 -3.63 5.26 4.01 -1.26 -4.70 117.16 112.43 2brw n TYR 604 Ca 0.04 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 2brw n TYR 604 Cb 0.32 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2brw n TYR 604 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2brw n SER 605 N 0.25 1.17 -3.74 7.72 7.64 -0.32 -4.63 113.62 121.71 2brw n SER 605 Ca 0.14 -0.63 -0.25 0.00 1.01 0.00 0.00 58.87 59.14 2brw n SER 605 Cb 0.72 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.94 2brw n SER 605 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2brw n ASP 606 N -1.16 -2.38 -0.05 6.43 8.00 -1.26 -2.36 116.55 123.76 2brw n ASP 606 Ca 0.00 -0.92 -0.01 0.00 0.71 0.00 0.00 54.79 54.57 2brw n ASP 606 Cb 0.00 -3.65 -0.00 0.00 -0.02 0.00 0.00 41.12 37.45 2brw n ASP 606 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2brw n GLY 607 N -1.70 0.48 0.23 0.44 0.00 -1.26 -4.94 105.19 98.44 2brw n GLY 607 Ca -0.23 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 2brw n GLY 607 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2brw h TYR 608 N 0.00 -0.50 -0.50 1.61 3.20 -1.74 -2.00 116.97 117.04 2brw h TYR 608 Ca -0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2brw h TYR 608 Cb 0.11 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 2brw h TYR 608 CO 0.06 -0.27 0.20 -1.49 -1.64 0.00 0.00 178.16 175.02 2brw h TRP 609 N -0.26 0.76 0.00 -3.82 4.06 -1.87 0.38 115.95 115.19 2brw h TRP 609 Ca 0.09 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2brw h TRP 609 Cb 0.39 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 2brw h TRP 609 CO -0.28 0.63 0.00 -0.35 -3.56 0.00 0.00 178.44 174.88 2brw n PRO 610 N -4.56 0.10 0.00 0.49 -0.04 -1.19 -3.90 135.00 125.91 2brw n PRO 610 Ca 0.02 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 2brw n PRO 610 Cb 0.16 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 31.94 2brw n PRO 610 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2brw n THR 611 N -1.81 0.00 -2.49 0.52 -2.24 -0.76 -3.97 114.28 103.53 2brw n THR 611 Ca 0.06 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 61.16 2brw n THR 611 Cb 0.35 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 2brw n THR 611 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2brw s VAL 612 N -1.85 3.55 -0.56 2.28 0.11 0.10 -4.65 120.40 119.38 2brw s VAL 612 Ca 0.04 1.45 -0.27 0.00 -2.93 0.00 0.00 61.98 60.26 2brw s VAL 612 Cb 0.07 -3.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2brw s VAL 612 CO 0.37 0.27 1.57 0.21 -3.33 0.00 0.00 175.10 174.20 2brw s ASN 613 N -1.06 5.87 0.61 3.54 3.84 -1.26 -4.87 114.94 121.61 2brw s ASN 613 Ca 0.48 0.38 0.41 0.00 0.21 0.00 0.00 52.86 54.34 2brw s ASN 613 Cb -0.29 -2.54 2.22 0.00 -0.55 0.00 0.00 41.25 40.08 2brw s ASN 613 CO 0.37 -1.90 2.26 1.55 -2.79 0.00 0.00 177.10 176.60 2brw h PRO 614 N 12.27 0.00 0.00 0.43 0.13 -1.92 -1.22 132.00 141.69 2brw h PRO 614 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2brw h PRO 614 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2brw h PRO 614 CO 1.18 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 179.49 2brw n TYR 615 N -2.95 0.35 -2.59 1.56 4.01 -1.26 -4.06 117.16 112.21 2brw n TYR 615 Ca -0.03 0.10 -0.21 0.00 -0.16 0.00 0.00 57.90 57.60 2brw n TYR 615 Cb 0.07 -0.63 0.01 0.00 -0.31 0.00 0.00 39.34 38.48 2brw n TYR 615 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2brw n LYS 616 N -1.80 2.62 -1.95 -0.72 5.02 -0.46 -4.92 118.16 115.95 2brw n LYS 616 Ca 0.06 -4.10 -0.41 0.00 -2.02 0.00 0.00 58.31 51.83 2brw n LYS 616 Cb 0.38 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 2brw n LYS 616 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2brw s MET 617 N -3.37 4.23 -0.28 1.97 -1.94 -1.25 -4.69 119.30 113.98 2brw s MET 617 Ca 0.41 2.38 -0.41 0.00 -1.71 0.00 0.00 55.69 56.36 2brw s MET 617 Cb 0.41 -3.07 -0.16 0.00 2.01 0.00 0.00 34.83 34.01 2brw s MET 617 CO -0.11 -0.45 1.68 -2.30 -0.01 0.00 0.00 175.02 173.83 2brw n PRO 618 N 1.96 0.97 0.00 2.03 -0.02 -1.26 -2.04 135.00 136.64 2brw n PRO 618 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2brw n PRO 618 Cb 0.40 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2brw n PRO 618 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2brw n GLY 619 N 3.99 1.97 3.89 -1.23 0.00 0.19 -2.38 105.19 111.62 2brw n GLY 619 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 2brw n GLY 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2brw s THR 620 N -2.46 4.19 -0.22 2.61 -4.23 -0.87 -4.72 115.64 109.95 2brw s THR 620 Ca 0.00 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 2brw s THR 620 Cb 0.00 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.20 2brw s THR 620 CO 0.00 -0.84 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.23 2brw s THR 621 N -3.15 1.92 0.28 3.99 2.01 -1.26 -1.40 115.64 118.03 2brw s THR 621 Ca 0.55 -1.26 0.03 0.00 0.31 0.00 0.00 61.69 61.32 2brw s THR 621 Cb -0.11 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 2brw s THR 621 CO 0.51 0.14 0.20 -1.61 -0.69 0.00 0.00 174.62 173.17 2brw s GLU 622 N 1.26 1.52 0.23 4.92 0.41 -0.93 -4.94 118.70 121.18 2brw s GLU 622 Ca -0.03 -1.86 0.07 0.00 -0.41 0.00 0.00 54.97 52.74 2brw s GLU 622 Cb -0.17 0.21 -0.04 0.00 -1.78 0.00 0.00 34.13 32.35 2brw s GLU 622 CO -0.08 -0.51 0.16 0.95 -0.49 0.00 0.00 175.26 175.29 2brw s THR 623 N -3.73 4.37 -1.14 3.63 -4.23 -1.26 -1.91 115.64 111.36 2brw s THR 623 Ca 0.39 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2brw s THR 623 Cb 0.05 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2brw s THR 623 CO 0.20 -0.29 0.57 -0.90 -0.54 0.00 0.00 174.62 173.65 2brw n ASP 624 N -0.95 0.86 -4.76 3.99 5.75 -0.68 -4.88 116.55 115.88 2brw n ASP 624 Ca -0.08 -1.99 -0.39 0.00 -0.01 0.00 0.00 54.79 52.32 2brw n ASP 624 Cb 0.57 -0.43 0.02 0.00 -1.03 0.00 0.00 41.12 40.25 2brw n ASP 624 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2brw s ALA 625 N -1.14 3.03 0.39 2.12 0.00 -1.26 -4.97 121.76 119.93 2brw s ALA 625 Ca 0.00 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 53.03 2brw s ALA 625 Cb 0.00 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 2brw s ALA 625 CO 0.00 -1.15 1.03 0.15 0.00 0.00 0.00 175.76 175.79 2brw s LYS 626 N -2.64 4.22 0.13 0.00 1.02 -1.26 -5.06 119.74 116.14 2brw s LYS 626 Ca 0.65 1.46 0.09 0.00 0.02 0.00 0.00 55.97 58.19 2brw s LYS 626 Cb -0.40 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2brw s LYS 626 CO 0.49 -0.09 -0.15 1.03 -0.92 0.00 0.00 175.35 175.71 2brw s ARG 627 N -2.50 1.90 -0.03 1.68 1.81 -1.26 -5.12 118.95 115.43 2brw s ARG 627 Ca 0.57 -1.19 -0.13 0.00 -1.72 0.00 0.00 55.73 53.26 2brw s ARG 627 Cb -0.21 -2.15 -0.05 0.00 -0.45 0.00 0.00 34.95 32.09 2brw s ARG 627 CO 0.26 0.47 0.35 0.00 -0.68 0.00 0.00 175.30 175.70 2brw s ALA 628 N -1.32 3.73 0.63 2.13 0.00 -1.26 -4.96 121.76 120.72 2brw s ALA 628 Ca 0.20 -0.32 0.44 0.00 0.00 0.00 0.00 51.96 52.29 2brw s ALA 628 Cb -0.10 -2.30 2.37 0.00 0.00 0.00 0.00 23.12 23.09 2brw s ALA 628 CO 0.12 0.50 2.35 -0.44 0.00 0.00 0.00 175.76 178.29 2brw h ASP 629 N 4.84 0.00 0.05 0.00 5.19 -2.00 -1.56 116.42 122.94 2brw h ASP 629 Ca -0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 2brw h ASP 629 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2brw h ASP 629 CO 0.61 0.00 -0.06 -1.54 -3.12 0.00 0.00 179.24 175.13 2brw n SER 630 N -3.09 1.35 -4.63 6.45 3.41 -1.26 -4.79 113.62 111.06 2brw n SER 630 Ca -0.03 -1.33 -0.30 0.00 -0.26 0.00 0.00 58.87 56.96 2brw n SER 630 Cb 0.09 0.03 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 2brw n SER 630 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2brw s ASP 631 N -2.13 2.47 0.06 4.04 1.11 -0.59 -5.06 116.67 116.57 2brw s ASP 631 Ca 0.35 1.68 -0.00 0.00 0.18 0.00 0.00 52.55 54.75 2brw s ASP 631 Cb 0.21 -2.32 -0.04 0.00 1.07 0.00 0.00 42.92 41.84 2brw s ASP 631 CO 0.38 -3.30 -0.04 0.42 1.18 0.00 0.00 175.17 173.81 2brw s THR 632 N -2.70 0.35 0.82 -1.27 -4.23 -1.26 -4.89 115.64 102.46 2brw s THR 632 Ca 0.66 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 59.35 2brw s THR 632 Cb -0.22 -1.37 0.09 0.00 1.34 0.00 0.00 72.50 72.34 2brw s THR 632 CO 0.60 -0.88 1.11 -0.83 -0.54 0.00 0.00 174.62 174.08 2brw s GLY 633 N -2.72 1.61 0.31 3.99 0.00 -1.23 -5.05 107.32 104.23 2brw s GLY 633 Ca 0.05 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.50 2brw s GLY 633 CO -0.07 0.16 0.29 -1.59 0.00 0.00 0.00 173.10 171.89 2brw s LYS 634 N -5.20 1.68 0.74 2.90 0.00 -1.26 -4.92 119.74 113.68 2brw s LYS 634 Ca 0.61 -1.89 -0.01 0.00 0.00 0.00 0.00 55.97 54.68 2brw s LYS 634 Cb -0.14 0.34 0.15 0.00 0.00 0.00 0.00 37.83 38.18 2brw s LYS 634 CO 0.54 -0.63 1.02 1.33 0.00 0.00 0.00 175.35 177.61 2brw n VAL 635 N -0.55 0.00 -3.71 1.79 0.24 -1.26 -1.99 118.33 112.85 2brw n VAL 635 Ca 0.05 -1.55 -0.28 0.00 -2.04 0.00 0.00 64.34 60.52 2brw n VAL 635 Cb 0.63 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 32.05 2brw n VAL 635 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2brw s LEU 636 N 0.00 4.24 0.00 1.34 2.96 -0.28 -4.89 118.68 122.05 2brw s LEU 636 Ca 0.67 0.41 -0.24 0.00 -0.22 0.00 0.00 54.13 54.75 2brw s LEU 636 Cb -0.04 -3.17 -0.18 0.00 0.50 0.00 0.00 46.19 43.31 2brw s LEU 636 CO 0.45 -0.02 1.33 -0.65 -1.32 0.00 0.00 176.35 176.13 2brw h PRO 637 N 2.16 0.11 -7.19 0.98 0.11 -1.90 -3.01 132.00 123.25 2brw h PRO 637 Ca -0.48 -0.05 -0.49 0.00 0.11 0.00 0.00 66.00 65.09 2brw h PRO 637 Cb 1.19 -0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.36 2brw h PRO 637 CO 0.69 0.53 0.38 0.45 -0.21 0.00 0.00 178.00 179.83 2brw s SER 638 N -5.78 5.75 0.00 -2.05 0.15 -1.26 -4.68 113.70 105.83 2brw s SER 638 Ca -0.15 1.83 0.16 0.00 0.70 0.00 0.00 55.95 58.49 2brw s SER 638 Cb 0.03 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 61.98 2brw s SER 638 CO 0.70 -1.19 1.07 0.00 1.20 0.00 0.00 173.24 175.02 2brw n ALA 639 N -2.04 2.44 -1.91 5.45 0.00 -1.26 -1.92 120.51 121.27 2brw n ALA 639 Ca 0.09 -0.71 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 2brw n ALA 639 Cb 0.53 -0.57 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 2brw n ALA 639 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2brw n PHE 640 N 0.94 2.94 -3.93 0.00 7.35 -1.26 -3.42 117.46 120.08 2brw n PHE 640 Ca 0.11 -2.90 -0.17 0.00 -0.76 0.00 0.00 57.45 53.72 2brw n PHE 640 Cb 0.43 -2.20 -0.16 0.00 0.35 0.00 0.00 39.48 37.89 2brw n PHE 640 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2brw s VAL 641 N 1.22 0.19 0.00 -2.13 1.01 -1.26 -1.61 120.40 117.81 2brw s VAL 641 Ca 0.50 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2brw s VAL 641 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2brw s VAL 641 CO -0.05 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2brw n GLY 642 N 4.15 0.08 2.99 4.51 0.00 -0.63 -4.73 105.19 111.56 2brw n GLY 642 Ca -0.26 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 2brw n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2brw s THR 643 N -2.00 0.68 -0.30 2.61 2.01 -1.26 -1.65 115.64 115.73 2brw s THR 643 Ca 0.00 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 2brw s THR 643 Cb 0.00 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.94 2brw s THR 643 CO 0.00 0.21 0.03 -0.55 -0.69 0.00 0.00 174.62 173.63 2brw s SER 644 N 0.14 4.94 -0.28 3.53 0.15 0.12 -4.92 113.70 117.38 2brw s SER 644 Ca -0.02 -1.01 -0.15 0.00 0.70 0.00 0.00 55.95 55.48 2brw s SER 644 Cb -0.07 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2brw s SER 644 CO 0.00 -0.23 0.37 -0.75 1.20 0.00 0.00 173.24 173.83 2brw s LYS 645 N 1.37 3.97 -0.15 5.44 2.20 -1.26 -1.20 119.74 130.11 2brw s LYS 645 Ca -0.01 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.41 2brw s LYS 645 Cb -0.18 -3.67 -0.23 0.00 -1.51 0.00 0.00 37.83 32.23 2brw s LYS 645 CO 0.00 -0.30 0.40 1.25 -0.36 0.00 0.00 175.35 176.34 2brw h LEU 646 N 8.61 0.19 0.00 5.43 5.85 -1.19 -3.46 115.31 130.74 2brw h LEU 646 Ca -0.32 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.67 2brw h LEU 646 Cb 1.16 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2brw h LEU 646 CO 0.65 1.54 0.00 -0.90 -0.34 0.00 0.00 178.44 179.39 2brw n ASP 647 N -4.14 0.00 -0.17 1.25 5.68 -1.08 -4.99 116.55 113.10 2brw n ASP 647 Ca -0.28 -0.04 0.14 0.00 -0.50 0.00 0.00 54.79 54.12 2brw n ASP 647 Cb 0.79 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.51 2brw n ASP 647 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2brw n ASP 648 N -0.08 0.52 0.00 -1.12 8.00 -1.26 -3.80 116.55 118.82 2brw n ASP 648 Ca 0.00 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.25 2brw n ASP 648 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2brw n ASP 648 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2brw n ALA 649 N -0.56 1.25 -3.59 2.24 0.00 -1.26 -3.11 120.51 115.49 2brw n ALA 649 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 2brw n ALA 649 Cb 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.47 2brw n ALA 649 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2brw s ASN 650 N -1.17 2.46 0.20 0.00 0.01 -1.25 -0.60 114.94 114.59 2brw s ASN 650 Ca 0.00 -0.44 -0.17 0.00 -0.71 0.00 0.00 52.86 51.54 2brw s ASN 650 Cb 0.00 -1.11 0.02 0.00 0.41 0.00 0.00 41.25 40.57 2brw s ASN 650 CO 0.00 0.04 0.53 0.00 -1.51 0.00 0.00 177.10 176.16 2brw s ALA 651 N 0.87 -0.89 -0.02 0.60 0.00 -0.62 -0.68 121.76 121.02 2brw s ALA 651 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2brw s ALA 651 Cb -0.15 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.84 2brw s ALA 651 CO 0.00 -0.82 0.05 0.99 0.00 0.00 0.00 175.76 175.98 2brw s THR 652 N -3.89 -0.00 0.10 0.00 2.01 -0.34 -1.25 115.64 112.27 2brw s THR 652 Ca 0.10 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.14 2brw s THR 652 Cb -0.01 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 2brw s THR 652 CO -0.01 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 173.85 2brw s ALA 653 N 0.09 1.01 0.05 7.40 0.00 -0.61 0.12 121.76 129.83 2brw s ALA 653 Ca -0.01 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 2brw s ALA 653 Cb -0.01 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.24 2brw s ALA 653 CO -0.00 -0.17 0.26 -0.08 0.00 0.00 0.00 175.76 175.77 2brw s THR 654 N -3.20 0.10 -0.11 0.00 -1.32 -0.66 -1.49 115.64 108.96 2brw s THR 654 Ca 0.09 -0.80 -0.04 0.00 -1.21 0.00 0.00 61.69 59.73 2brw s THR 654 Cb 0.02 -0.99 0.06 0.00 -1.51 0.00 0.00 72.50 70.08 2brw s THR 654 CO -0.03 -0.44 0.19 -0.32 -2.21 0.00 0.00 174.62 171.80 2brw s MET 655 N -2.79 0.08 -1.05 7.08 0.00 -0.45 -1.61 119.30 120.56 2brw s MET 655 Ca -0.03 0.54 -0.22 0.00 0.00 0.00 0.00 55.69 55.98 2brw s MET 655 Cb -0.00 -0.37 0.06 0.00 0.00 0.00 0.00 34.83 34.52 2brw s MET 655 CO -0.05 -0.35 1.46 0.34 0.00 0.00 0.00 175.02 176.42 2brw s ASP 656 N 2.32 6.56 0.21 1.11 -1.08 -0.63 -2.75 116.67 122.41 2brw s ASP 656 Ca 0.03 -1.66 -0.28 0.00 -0.52 0.00 0.00 52.55 50.12 2brw s ASP 656 Cb -0.13 -2.55 -0.09 0.00 -1.46 0.00 0.00 42.92 38.69 2brw s ASP 656 CO -0.07 -1.41 0.88 0.12 0.52 0.00 0.00 175.17 175.21 2brw s PHE 657 N 4.63 3.96 -0.03 -5.34 5.36 -1.07 -4.58 117.98 120.91 2brw s PHE 657 Ca 0.46 1.82 -0.02 0.00 -0.96 0.00 0.00 56.93 58.22 2brw s PHE 657 Cb 0.00 -2.90 0.02 0.00 -0.34 0.00 0.00 43.02 39.79 2brw s PHE 657 CO -0.07 0.48 0.07 0.99 -1.46 0.00 0.00 175.22 175.23 2brw s THR 658 N -1.16 -0.02 0.93 0.12 2.01 -1.26 -1.74 115.64 114.52 2brw s THR 658 Ca 0.39 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 62.32 2brw s THR 658 Cb -0.25 -0.12 0.15 0.00 0.01 0.00 0.00 72.50 72.29 2brw s THR 658 CO 0.30 0.03 1.18 0.54 -0.69 0.00 0.00 174.62 175.97 2brw s ASN 659 N 0.39 3.41 0.44 3.53 4.22 0.14 -4.92 114.94 122.15 2brw s ASN 659 Ca -0.03 0.77 0.18 0.00 -2.14 0.00 0.00 52.86 51.64 2brw s ASN 659 Cb -0.04 -1.20 1.10 0.00 1.28 0.00 0.00 41.25 42.39 2brw s ASN 659 CO -0.01 -2.59 1.90 4.11 -2.04 0.00 0.00 177.10 178.47 2brw h TRP 660 N -1.53 0.44 -0.42 1.54 5.08 -1.97 -2.12 115.95 116.98 2brw h TRP 660 Ca -0.48 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.50 2brw h TRP 660 Cb 1.31 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 2brw h TRP 660 CO -0.19 0.15 0.00 0.27 -1.28 0.00 0.00 178.44 177.39 2brw n ASN 661 N -4.47 3.30 -3.47 0.11 2.04 -1.26 -4.99 115.26 106.52 2brw n ASN 661 Ca 0.16 -2.14 -0.22 0.00 -0.44 0.00 0.00 54.58 51.94 2brw n ASN 661 Cb 0.60 -0.32 0.08 0.00 -2.53 0.00 0.00 39.78 37.61 2brw n ASN 661 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2brw n GLN 662 N 0.61 -7.47 -0.03 -3.83 3.00 -0.80 -4.90 117.38 103.97 2brw n GLN 662 Ca 0.15 0.81 0.02 0.00 -0.01 0.00 0.00 57.00 57.97 2brw n GLN 662 Cb 0.53 -5.77 0.03 0.00 0.00 0.00 0.00 30.24 25.03 2brw n GLN 662 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2brw n THR 663 N -4.74 0.68 -3.68 5.09 -2.24 -1.26 -4.88 114.28 103.25 2brw n THR 663 Ca -0.05 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 60.78 2brw n THR 663 Cb 0.58 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.40 2brw n THR 663 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2brw s LEU 664 N -0.76 -0.29 0.30 3.22 0.20 -1.26 0.05 118.68 120.13 2brw s LEU 664 Ca 0.05 1.13 0.03 0.00 0.69 0.00 0.00 54.13 56.04 2brw s LEU 664 Cb 0.03 1.83 -0.06 0.00 -0.43 0.00 0.00 46.19 47.56 2brw s LEU 664 CO 0.04 -0.20 0.06 0.42 -0.29 0.00 0.00 176.35 176.38 2brw s THR 665 N 0.95 1.06 0.00 3.68 -4.23 -1.03 0.27 115.64 116.35 2brw s THR 665 Ca -0.05 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2brw s THR 665 Cb -0.06 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2brw s THR 665 CO -0.08 -0.04 0.00 0.00 -0.54 0.00 0.00 174.62 173.95 2brw n ALA 666 N -0.61 0.00 -2.57 3.99 0.00 -0.71 -2.48 120.51 118.13 2brw n ALA 666 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2brw n ALA 666 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 2brw n ALA 666 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2brw s HIS 667 N -0.81 3.05 -0.22 0.00 3.76 0.14 -2.59 115.29 118.62 2brw s HIS 667 Ca 0.00 0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 55.29 2brw s HIS 667 Cb 0.00 -3.56 -0.03 0.00 1.11 0.00 0.00 32.58 30.10 2brw s HIS 667 CO 0.00 -0.85 0.05 0.15 -0.85 0.00 0.00 174.74 173.23 2brw s LYS 668 N 3.27 3.70 0.05 1.40 1.02 -1.11 -1.50 119.74 126.56 2brw s LYS 668 Ca 0.32 -0.47 0.05 0.00 0.02 0.00 0.00 55.97 55.89 2brw s LYS 668 Cb -0.12 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2brw s LYS 668 CO 0.20 -0.05 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.31 2brw s SER 669 N 1.23 1.69 -0.04 2.83 0.01 0.11 -1.34 113.70 118.18 2brw s SER 669 Ca 0.04 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 56.83 2brw s SER 669 Cb -0.14 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.99 2brw s SER 669 CO 0.03 0.00 -0.15 0.26 0.41 0.00 0.00 173.24 173.78 2brw s TRP 670 N -0.99 1.56 -0.34 2.43 0.51 -0.56 -0.52 118.94 121.03 2brw s TRP 670 Ca 0.01 -0.44 0.04 0.00 -2.12 0.00 0.00 56.10 53.58 2brw s TRP 670 Cb -0.09 -1.06 0.10 0.00 -0.81 0.00 0.00 33.47 31.61 2brw s TRP 670 CO 0.02 -0.16 0.05 -0.06 -0.51 0.00 0.00 176.95 176.29 2brw s PHE 671 N 0.08 3.66 -0.35 -1.98 0.40 0.27 -1.58 117.98 118.49 2brw s PHE 671 Ca -0.04 -2.94 -0.24 0.00 -0.60 0.00 0.00 56.93 53.10 2brw s PHE 671 Cb -0.11 -2.87 0.01 0.00 0.51 0.00 0.00 43.02 40.56 2brw s PHE 671 CO 0.02 -0.95 0.84 -1.64 0.70 0.00 0.00 175.22 174.19 2brw s MET 672 N 0.94 3.85 -0.59 0.44 -1.94 -0.38 -0.43 119.30 121.19 2brw s MET 672 Ca 0.11 0.50 0.05 0.00 -1.71 0.00 0.00 55.69 54.63 2brw s MET 672 Cb -0.19 -3.78 0.17 0.00 2.01 0.00 0.00 34.83 33.04 2brw s MET 672 CO -0.09 -0.84 0.43 1.28 -0.01 0.00 0.00 175.02 175.80 2brw n LEU 673 N 6.49 1.58 0.00 -0.03 4.77 0.47 -1.59 117.00 128.69 2brw n LEU 673 Ca 0.05 -4.87 0.00 0.00 -0.03 0.00 0.00 56.01 51.16 2brw n LEU 673 Cb 0.48 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2brw n LEU 673 CO 0.54 1.80 0.00 1.17 -1.33 0.00 0.00 177.39 179.58 2brw n LYS 674 N 2.31 0.00 -0.14 3.23 4.81 0.23 -2.87 118.16 125.73 2brw n LYS 674 Ca 0.24 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.76 2brw n LYS 674 Cb 0.40 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.56 2brw n LYS 674 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2brw n ASP 675 N 0.01 1.92 -3.54 3.14 5.68 -1.26 -4.78 116.55 117.71 2brw n ASP 675 Ca 0.00 -2.82 -0.07 0.00 -0.50 0.00 0.00 54.79 51.39 2brw n ASP 675 Cb 0.00 -0.36 -0.02 0.00 -1.14 0.00 0.00 41.12 39.60 2brw n ASP 675 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2brw s LYS 676 N -2.27 0.82 0.01 0.11 -2.85 -1.14 -4.39 119.74 110.04 2brw s LYS 676 Ca 0.25 -0.33 0.05 0.00 -1.00 0.00 0.00 55.97 54.93 2brw s LYS 676 Cb 0.21 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.33 2brw s LYS 676 CO 0.02 -0.36 -0.15 0.42 0.10 0.00 0.00 175.35 175.38 2brw s ILE 677 N -3.08 1.15 -0.11 3.79 1.09 -0.91 -0.40 121.20 122.73 2brw s ILE 677 Ca 0.06 -0.78 -0.03 0.00 -1.10 0.00 0.00 60.65 58.81 2brw s ILE 677 Cb -0.01 -0.99 -0.03 0.00 -1.06 0.00 0.00 42.46 40.37 2brw s ILE 677 CO -0.07 0.20 0.01 0.00 -0.10 0.00 0.00 174.94 174.98 2brw s ALA 678 N -0.54 3.27 -0.18 9.38 0.00 0.42 -0.49 121.76 133.63 2brw s ALA 678 Ca 0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 2brw s ALA 678 Cb -0.06 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2brw s ALA 678 CO 0.00 0.48 -0.05 -0.06 0.00 0.00 0.00 175.76 176.13 2brw s PHE 679 N -0.54 2.96 -0.02 0.00 0.40 0.12 -0.56 117.98 120.34 2brw s PHE 679 Ca 0.09 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 55.87 2brw s PHE 679 Cb -0.12 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 2brw s PHE 679 CO 0.02 -0.26 -0.13 -0.51 0.70 0.00 0.00 175.22 175.04 2brw s LEU 680 N 0.80 1.95 -0.08 -0.37 1.43 0.32 -1.77 118.68 120.97 2brw s LEU 680 Ca -0.02 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2brw s LEU 680 Cb -0.15 -0.68 0.04 0.00 0.03 0.00 0.00 46.19 45.43 2brw s LEU 680 CO 0.02 0.14 0.18 -0.83 0.23 0.00 0.00 176.35 176.08 2brw s GLY 681 N -0.14 -0.08 0.25 -3.19 0.00 -0.76 0.05 107.32 103.46 2brw s GLY 681 Ca 0.02 0.75 0.06 0.00 0.00 0.00 0.00 44.72 45.55 2brw s GLY 681 CO 0.00 1.00 0.22 -1.14 0.00 0.00 0.00 173.10 173.18 2brw n SER 682 N 4.04 -0.56 -3.65 1.64 3.41 -0.56 -1.30 113.62 116.64 2brw n SER 682 Ca -0.24 -2.68 -0.28 0.00 -0.26 0.00 0.00 58.87 55.42 2brw n SER 682 Cb 0.53 1.30 0.01 0.00 -0.26 0.00 0.00 64.21 65.79 2brw n SER 682 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2brw n ASN 683 N -1.98 -4.37 -4.62 4.04 4.05 -1.22 -0.68 115.26 110.47 2brw n ASN 683 Ca 0.06 -0.61 -0.43 0.00 0.45 0.00 0.00 54.58 54.05 2brw n ASN 683 Cb 0.46 -3.54 -0.02 0.00 1.23 0.00 0.00 39.78 37.91 2brw n ASN 683 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2brw s ILE 684 N -3.14 4.21 0.13 -1.44 1.01 -0.91 -3.82 121.20 117.25 2brw s ILE 684 Ca 0.54 1.35 0.07 0.00 0.00 0.00 0.00 60.65 62.60 2brw s ILE 684 Cb -0.28 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 2brw s ILE 684 CO 0.67 -0.59 -0.15 -1.10 0.00 0.00 0.00 174.94 173.77 2brw s GLN 685 N 4.17 1.10 -0.16 2.79 -0.21 -1.03 0.19 119.66 126.51 2brw s GLN 685 Ca 0.53 -1.29 -0.06 0.00 0.02 0.00 0.00 55.36 54.56 2brw s GLN 685 Cb -0.14 -1.03 0.07 0.00 1.00 0.00 0.00 33.01 32.91 2brw s GLN 685 CO 0.24 0.20 0.34 1.21 -2.12 0.00 0.00 175.29 175.16 2brw s ASN 686 N -2.51 -0.10 0.00 5.90 2.47 -1.26 -2.45 114.94 116.99 2brw s ASN 686 Ca 0.11 0.77 0.23 0.00 0.42 0.00 0.00 52.86 54.39 2brw s ASN 686 Cb -0.05 0.87 0.49 0.00 -1.45 0.00 0.00 41.25 41.11 2brw s ASN 686 CO 0.04 -0.22 1.45 0.35 -3.72 0.00 0.00 177.10 175.00 2brw n THR 687 N 4.98 0.64 -3.47 -5.21 -2.24 0.11 -4.98 114.28 104.12 2brw n THR 687 Ca -0.13 -0.82 -0.21 0.00 -2.27 0.00 0.00 64.05 60.62 2brw n THR 687 Cb 0.51 0.85 -0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2brw n THR 687 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2brw s SER 688 N -1.36 5.04 0.02 3.42 1.04 -1.26 -5.01 113.70 115.59 2brw s SER 688 Ca 0.42 -0.83 0.26 0.00 0.48 0.00 0.00 55.95 56.28 2brw s SER 688 Cb 0.24 -0.20 0.77 0.00 0.10 0.00 0.00 66.02 66.92 2brw s SER 688 CO 0.32 -0.90 1.60 0.35 0.98 0.00 0.00 173.24 175.60 2brw n THR 689 N -1.76 0.04 -1.89 2.02 -2.24 -1.26 -4.88 114.28 104.31 2brw n THR 689 Ca 0.05 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 2brw n THR 689 Cb 0.62 -0.07 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2brw n THR 689 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2brw s ASP 690 N -3.14 5.25 0.38 3.42 1.01 -1.26 -5.00 116.67 117.33 2brw s ASP 690 Ca 0.12 2.07 -0.21 0.00 0.71 0.00 0.00 52.55 55.24 2brw s ASP 690 Cb 0.18 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.44 2brw s ASP 690 CO 0.64 -1.54 0.89 0.42 0.21 0.00 0.00 175.17 175.79 2brw s THR 691 N -2.16 4.43 0.04 -1.27 -4.23 -1.26 -4.85 115.64 106.34 2brw s THR 691 Ca 0.69 1.43 0.08 0.00 -1.18 0.00 0.00 61.69 62.71 2brw s THR 691 Cb -0.22 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 2brw s THR 691 CO 0.37 -0.19 -0.23 0.00 -0.54 0.00 0.00 174.62 174.04 2brw s ALA 692 N -2.02 2.41 0.06 3.99 0.00 -1.26 -1.68 121.76 123.26 2brw s ALA 692 Ca 0.58 -1.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.04 2brw s ALA 692 Cb -0.11 -0.60 0.09 0.00 0.00 0.00 0.00 23.12 22.50 2brw s ALA 692 CO 0.16 0.55 0.78 0.00 0.00 0.00 0.00 175.76 177.25 2brw s ALA 693 N -0.85 -1.73 -0.00 0.00 0.00 -0.80 0.24 121.76 118.62 2brw s ALA 693 Ca 0.13 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.90 2brw s ALA 693 Cb -0.10 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2brw s ALA 693 CO 0.03 -0.73 -0.01 0.99 0.00 0.00 0.00 175.76 176.05 2brw s THR 694 N -3.37 4.09 -0.39 0.00 2.01 0.03 -2.18 115.64 115.83 2brw s THR 694 Ca 0.04 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.25 2brw s THR 694 Cb -0.01 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.69 2brw s THR 694 CO -0.10 0.38 0.41 -0.89 -0.69 0.00 0.00 174.62 173.73 2brw s THR 695 N -1.07 5.12 0.15 -0.82 2.01 -0.49 -1.46 115.64 119.07 2brw s THR 695 Ca 0.19 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 2brw s THR 695 Cb -0.11 -3.95 -0.16 0.00 0.01 0.00 0.00 72.50 68.29 2brw s THR 695 CO 0.10 -0.28 1.36 0.40 -0.69 0.00 0.00 174.62 175.51 2brw h ILE 696 N 5.65 1.45 -1.12 1.82 2.04 0.12 0.55 117.51 128.03 2brw h ILE 696 Ca -0.28 -2.53 0.22 0.00 1.00 0.00 0.00 64.86 63.27 2brw h ILE 696 Cb 1.12 2.42 -0.28 0.00 -0.74 0.00 0.00 36.82 39.35 2brw h ILE 696 CO 0.75 0.74 0.89 -0.62 0.00 0.00 0.00 178.15 179.92 2brw s ASP 697 N -6.98 -0.08 -0.32 1.72 -1.08 -0.71 -4.33 116.67 104.89 2brw s ASP 697 Ca -0.04 0.10 -0.02 0.00 -0.52 0.00 0.00 52.55 52.07 2brw s ASP 697 Cb 0.10 0.08 0.11 0.00 -1.46 0.00 0.00 42.92 41.75 2brw s ASP 697 CO 0.84 -0.07 0.14 -1.58 0.52 0.00 0.00 175.17 175.02 2brw s GLN 698 N -0.86 0.47 -0.15 4.34 0.74 -1.24 0.78 119.66 123.73 2brw s GLN 698 Ca 0.07 -0.91 -0.05 0.00 0.05 0.00 0.00 55.36 54.52 2brw s GLN 698 Cb -0.01 -1.51 -0.04 0.00 1.10 0.00 0.00 33.01 32.55 2brw s GLN 698 CO -0.08 -1.05 0.04 0.50 -0.55 0.00 0.00 175.29 174.15 2brw s ARG 699 N 1.68 3.64 -0.24 1.67 6.06 0.25 -4.85 118.95 127.16 2brw s ARG 699 Ca 0.11 -0.37 -0.29 0.00 -2.50 0.00 0.00 55.73 52.68 2brw s ARG 699 Cb -0.18 -3.06 0.01 0.00 0.06 0.00 0.00 34.95 31.78 2brw s ARG 699 CO -0.25 0.42 1.08 0.21 -2.50 0.00 0.00 175.30 174.25 2brw s LYS 700 N -0.06 4.21 0.44 5.12 2.20 -1.26 -1.10 119.74 129.29 2brw s LYS 700 Ca 0.05 1.33 -0.03 0.00 -0.36 0.00 0.00 55.97 56.96 2brw s LYS 700 Cb -0.12 -3.68 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 2brw s LYS 700 CO 0.01 -0.71 0.71 -0.51 -0.36 0.00 0.00 175.35 174.49 2brw s LEU 701 N 3.36 3.74 -0.16 5.43 1.43 -0.63 -4.90 118.68 126.95 2brw s LEU 701 Ca 0.46 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 54.28 2brw s LEU 701 Cb -0.15 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 2brw s LEU 701 CO 0.09 -0.50 -0.05 -1.61 0.23 0.00 0.00 176.35 174.51 2brw s GLU 702 N -4.61 3.58 0.33 1.70 2.02 -1.26 -4.65 118.70 115.82 2brw s GLU 702 Ca 0.45 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.90 2brw s GLU 702 Cb -0.10 -2.89 0.58 0.00 0.10 0.00 0.00 34.13 31.82 2brw s GLU 702 CO 0.42 0.17 1.92 0.66 0.02 0.00 0.00 175.26 178.45 2brw h SER 703 N 6.92 0.64 -0.23 -0.19 4.64 -1.99 -2.50 113.55 120.83 2brw h SER 703 Ca -0.31 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 2brw h SER 703 Cb 1.19 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2brw h SER 703 CO 0.61 0.58 -0.02 0.77 -0.87 0.00 0.00 176.83 177.90 2brw h SER 704 N 0.70 0.42 -3.68 4.97 4.64 -2.06 -3.36 113.55 115.18 2brw h SER 704 Ca 0.17 -0.33 -0.73 0.00 -0.47 0.00 0.00 61.79 60.43 2brw h SER 704 Cb 0.15 -0.11 -0.33 0.00 -0.31 0.00 0.00 62.40 61.79 2brw h SER 704 CO -0.02 0.65 -0.08 0.20 -0.87 0.00 0.00 176.83 176.72 2brw s ASN 705 N -5.97 6.04 0.84 4.97 0.02 -0.95 -5.08 114.94 114.81 2brw s ASN 705 Ca -0.14 -3.32 -0.12 0.00 -1.02 0.00 0.00 52.86 48.27 2brw s ASN 705 Cb 0.07 -1.97 0.09 0.00 0.02 0.00 0.00 41.25 39.46 2brw s ASN 705 CO 0.75 -0.30 1.10 -2.16 0.02 0.00 0.00 177.10 176.50 2brw s PRO 706 N -0.76 1.74 0.19 -0.60 0.04 -1.20 -4.12 135.00 130.29 2brw s PRO 706 Ca 0.23 0.68 0.08 0.00 0.04 0.00 0.00 61.00 62.03 2brw s PRO 706 Cb -0.12 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2brw s PRO 706 CO -0.09 -1.87 -0.03 0.71 0.04 0.00 0.00 177.00 175.76 2brw s TYR 707 N -3.09 2.75 -0.15 0.56 2.02 -1.26 -4.67 117.35 113.52 2brw s TYR 707 Ca 0.62 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.15 2brw s TYR 707 Cb -0.16 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 2brw s TYR 707 CO 0.55 0.53 -0.18 0.21 -1.57 0.00 0.00 175.55 175.10 2brw s LYS 708 N -3.02 3.16 -0.16 -0.62 2.20 -0.39 -4.91 119.74 116.00 2brw s LYS 708 Ca 0.27 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 55.02 2brw s LYS 708 Cb -0.09 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 2brw s LYS 708 CO 0.18 0.03 0.11 0.08 -0.36 0.00 0.00 175.35 175.38 2brw s VAL 709 N 0.77 5.20 -0.10 4.02 1.01 -1.26 -0.96 120.40 129.07 2brw s VAL 709 Ca -0.07 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2brw s VAL 709 Cb -0.16 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2brw s VAL 709 CO 0.00 0.52 -0.23 -0.31 0.00 0.00 0.00 175.10 175.08 2brw s TYR 710 N -0.21 2.54 -0.21 5.22 1.51 -0.48 -0.44 117.35 125.28 2brw s TYR 710 Ca 0.10 -1.07 -0.03 0.00 -1.01 0.00 0.00 57.07 55.05 2brw s TYR 710 Cb -0.12 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 2brw s TYR 710 CO 0.01 -0.44 -0.06 0.08 -1.11 0.00 0.00 175.55 174.02 2brw s VAL 711 N 0.41 3.22 -1.44 0.71 1.01 -0.40 -0.32 120.40 123.60 2brw s VAL 711 Ca -0.17 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2brw s VAL 711 Cb -0.18 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.80 2brw s VAL 711 CO 0.07 0.44 0.82 0.59 0.00 0.00 0.00 175.10 177.03 2brw n ASN 712 N 4.69 -2.94 -0.62 3.32 3.02 0.28 -1.47 115.26 121.54 2brw n ASN 712 Ca -0.18 -0.82 -0.08 0.00 -0.03 0.00 0.00 54.58 53.47 2brw n ASN 712 Cb 0.51 -3.86 -0.03 0.00 -0.61 0.00 0.00 39.78 35.79 2brw n ASN 712 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2brw n ASP 713 N -2.93 -5.63 -4.30 6.41 2.03 -1.26 -4.97 116.55 105.90 2brw n ASP 713 Ca -0.12 0.20 -0.33 0.00 0.52 0.00 0.00 54.79 55.05 2brw n ASP 713 Cb 0.60 -3.93 -0.15 0.00 -0.72 0.00 0.00 41.12 36.92 2brw n ASP 713 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2brw s LYS 714 N -2.64 3.27 0.65 -0.67 1.02 -0.54 -5.01 119.74 115.82 2brw s LYS 714 Ca 0.00 -0.73 -0.17 0.00 0.02 0.00 0.00 55.97 55.09 2brw s LYS 714 Cb 0.00 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.64 2brw s LYS 714 CO 0.00 0.08 0.73 -1.91 -0.92 0.00 0.00 175.35 173.33 2brw n GLU 715 N 3.88 0.56 -4.11 1.68 2.13 -1.26 -1.27 120.64 122.25 2brw n GLU 715 Ca -0.19 0.23 -0.12 0.00 0.66 0.00 0.00 57.16 57.74 2brw n GLU 715 Cb 0.52 -1.96 -0.11 0.00 0.27 0.00 0.00 31.44 30.16 2brw n GLU 715 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2brw s ALA 716 N -1.73 0.74 -0.31 4.31 0.00 0.41 -4.75 121.76 120.44 2brw s ALA 716 Ca 0.71 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 2brw s ALA 716 Cb -0.39 0.08 0.06 0.00 0.00 0.00 0.00 23.12 22.88 2brw s ALA 716 CO 0.52 -0.09 0.02 -1.12 0.00 0.00 0.00 175.76 175.08 2brw s SER 717 N -2.14 4.86 0.52 0.00 0.01 -1.26 -4.44 113.70 111.25 2brw s SER 717 Ca -0.02 -1.49 -0.19 0.00 1.31 0.00 0.00 55.95 55.57 2brw s SER 717 Cb -0.04 -1.70 -0.07 0.00 0.21 0.00 0.00 66.02 64.42 2brw s SER 717 CO -0.01 -0.30 1.04 -0.76 0.41 0.00 0.00 173.24 173.61 2brw s LEU 718 N 1.18 3.72 0.23 2.44 1.43 -1.26 -5.07 118.68 121.35 2brw s LEU 718 Ca -0.02 1.85 0.09 0.00 -1.03 0.00 0.00 54.13 55.02 2brw s LEU 718 Cb -0.20 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.43 2brw s LEU 718 CO -0.03 -0.87 -0.01 -0.89 0.23 0.00 0.00 176.35 174.79 2brw s THR 719 N -2.19 3.51 0.09 5.49 2.01 -1.26 -4.76 115.64 118.53 2brw s THR 719 Ca 0.65 -1.75 -0.16 0.00 0.31 0.00 0.00 61.69 60.75 2brw s THR 719 Cb -0.15 -2.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 2brw s THR 719 CO 0.26 -0.28 1.39 -0.08 -0.69 0.00 0.00 174.62 175.22 2brw h GLU 720 N 2.20 0.64 0.00 4.92 4.81 -1.90 0.20 114.58 125.45 2brw h GLU 720 Ca -0.45 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.42 2brw h GLU 720 Cb 1.23 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2brw h GLU 720 CO 0.59 0.96 0.00 0.94 -0.73 0.00 0.00 179.01 180.77 2brw n GLN 721 N -4.30 0.72 -4.53 1.92 7.27 -1.26 -4.57 117.38 112.64 2brw n GLN 721 Ca -0.05 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.80 2brw n GLN 721 Cb 0.47 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.96 2brw n GLN 721 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2brw s GLU 722 N -0.39 1.30 -0.05 3.69 2.12 -1.26 -4.56 118.70 119.55 2brw s GLU 722 Ca 0.00 -0.39 -0.00 0.00 0.36 0.00 0.00 54.97 54.94 2brw s GLU 722 Cb 0.00 -1.16 -0.03 0.00 0.26 0.00 0.00 34.13 33.20 2brw s GLU 722 CO 0.00 0.12 -0.01 0.15 -0.54 0.00 0.00 175.26 174.98 2brw s LYS 723 N 0.29 2.88 -0.09 4.30 1.02 -0.89 -4.95 119.74 122.29 2brw s LYS 723 Ca -0.06 -0.50 -0.10 0.00 0.02 0.00 0.00 55.97 55.33 2brw s LYS 723 Cb -0.11 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 2brw s LYS 723 CO 0.02 0.67 0.23 -0.51 -0.92 0.00 0.00 175.35 174.83 2brw s ASP 724 N -1.11 6.51 -0.45 2.83 1.01 -1.26 -1.30 116.67 122.91 2brw s ASP 724 Ca 0.15 0.62 0.03 0.00 0.71 0.00 0.00 52.55 54.06 2brw s ASP 724 Cb -0.11 -2.13 0.13 0.00 1.01 0.00 0.00 42.92 41.81 2brw s ASP 724 CO 0.05 0.37 0.21 -0.31 0.21 0.00 0.00 175.17 175.70 2brw s TYR 725 N -0.97 2.64 0.73 4.23 1.51 0.24 -4.98 117.35 120.76 2brw s TYR 725 Ca 0.18 -2.72 -0.11 0.00 -1.01 0.00 0.00 57.07 53.40 2brw s TYR 725 Cb -0.13 -2.36 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 2brw s TYR 725 CO 0.07 -0.80 1.08 -1.25 -1.11 0.00 0.00 175.55 173.54 2brw s PRO 726 N 0.29 2.54 -1.40 -1.71 0.04 -1.26 -2.32 135.00 131.19 2brw s PRO 726 Ca 0.16 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.30 2brw s PRO 726 Cb -0.24 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2brw s PRO 726 CO -0.03 -1.42 0.40 0.39 0.04 0.00 0.00 177.00 176.38 2brw n GLU 727 N -3.26 -2.74 -3.11 4.56 -0.58 -1.22 -4.91 120.64 109.39 2brw n GLU 727 Ca 0.09 0.36 -0.39 0.00 -0.42 0.00 0.00 57.16 56.79 2brw n GLU 727 Cb 0.53 -4.31 -0.05 0.00 -0.57 0.00 0.00 31.44 27.04 2brw n GLU 727 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2brw s THR 728 N -3.97 5.05 -0.17 2.62 2.01 0.16 -4.80 115.64 116.55 2brw s THR 728 Ca 0.05 1.34 0.12 0.00 0.31 0.00 0.00 61.69 63.51 2brw s THR 728 Cb -0.02 -3.99 -0.18 0.00 0.01 0.00 0.00 72.50 68.31 2brw s THR 728 CO 0.90 0.28 0.01 1.67 -0.69 0.00 0.00 174.62 176.80 2brw n GLN 729 N 3.64 1.24 -3.50 4.92 -0.06 -1.26 -0.44 117.38 121.92 2brw n GLN 729 Ca -0.03 0.01 -0.09 0.00 -2.00 0.00 0.00 57.00 54.89 2brw n GLN 729 Cb 0.51 -1.41 -0.02 0.00 -4.06 0.00 0.00 30.24 25.26 2brw n GLN 729 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2brw s SER 730 N -5.14 -0.41 -0.03 1.69 1.04 -1.26 -0.81 113.70 108.79 2brw s SER 730 Ca -0.11 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.38 2brw s SER 730 Cb 0.05 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.61 2brw s SER 730 CO 0.62 -0.65 -0.01 -0.69 0.98 0.00 0.00 173.24 173.48 2brw s VAL 731 N -3.00 0.29 -0.12 5.02 1.01 -0.62 -0.56 120.40 122.41 2brw s VAL 731 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2brw s VAL 731 Cb -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.03 2brw s VAL 731 CO -0.08 0.16 -0.15 0.12 0.00 0.00 0.00 175.10 175.15 2brw s PHE 732 N 0.92 2.05 -0.44 5.22 5.36 0.56 -0.64 117.98 131.02 2brw s PHE 732 Ca -0.10 -1.04 -0.15 0.00 -0.96 0.00 0.00 56.93 54.68 2brw s PHE 732 Cb -0.13 -1.49 0.05 0.00 -0.34 0.00 0.00 43.02 41.10 2brw s PHE 732 CO -0.01 -0.55 0.35 -0.51 -1.46 0.00 0.00 175.22 173.04 2brw s LEU 733 N 1.18 5.39 -0.09 6.12 1.43 0.11 -1.38 118.68 131.44 2brw s LEU 733 Ca -0.02 -1.16 -0.09 0.00 -1.03 0.00 0.00 54.13 51.83 2brw s LEU 733 Cb -0.14 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2brw s LEU 733 CO -0.05 -0.56 0.20 -0.70 0.23 0.00 0.00 176.35 175.47 2brw s GLU 734 N 1.65 3.54 0.28 1.70 2.12 -0.13 -1.80 118.70 126.06 2brw s GLU 734 Ca 0.04 -0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.40 2brw s GLU 734 Cb -0.22 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 30.91 2brw s GLU 734 CO 0.08 0.76 0.00 0.45 -0.54 0.00 0.00 175.26 176.01 2brw s SER 735 N -1.04 2.34 0.00 -1.70 0.15 -1.26 -1.26 113.70 110.93 2brw s SER 735 Ca 0.17 -1.27 0.23 0.00 0.70 0.00 0.00 55.95 55.78 2brw s SER 735 Cb -0.13 -0.08 1.01 0.00 -1.71 0.00 0.00 66.02 65.10 2brw s SER 735 CO 0.06 -0.49 1.75 -1.54 1.20 0.00 0.00 173.24 174.22 2brw n SER 736 N -0.57 0.00 -4.05 5.45 3.41 -1.26 -4.47 113.62 112.13 2brw n SER 736 Ca -0.04 0.46 -0.32 0.00 -0.26 0.00 0.00 58.87 58.72 2brw n SER 736 Cb 0.65 -0.49 -0.16 0.00 -0.26 0.00 0.00 64.21 63.95 2brw n SER 736 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2brw s ASP 737 N -2.97 3.41 0.63 4.04 2.15 -1.26 -5.03 116.67 117.64 2brw s ASP 737 Ca 0.12 -0.85 0.40 0.00 0.43 0.00 0.00 52.55 52.65 2brw s ASP 737 Cb 0.15 -1.37 2.11 0.00 -0.30 0.00 0.00 42.92 43.52 2brw s ASP 737 CO 0.42 -0.09 2.27 0.77 -0.17 0.00 0.00 175.17 178.36 2brw h SER 738 N 7.94 0.00 0.48 -0.34 4.64 -1.93 -1.83 113.55 122.50 2brw h SER 738 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2brw h SER 738 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2brw h SER 738 CO 0.53 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.79 2brw n LYS 739 N -3.18 0.10 0.00 4.77 4.76 -1.26 -2.01 118.16 121.33 2brw n LYS 739 Ca -0.02 0.17 0.06 0.00 -2.87 0.00 0.00 58.31 55.65 2brw n LYS 739 Cb 0.13 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 2brw n LYS 739 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2brw n LYS 740 N -1.41 2.54 -1.92 1.97 5.02 -0.69 -1.31 118.16 122.36 2brw n LYS 740 Ca 0.06 -0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 55.67 2brw n LYS 740 Cb 0.17 -1.11 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 2brw n LYS 740 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2brw s ASN 741 N -1.92 5.65 -0.01 4.39 0.01 -0.85 -4.86 114.94 117.35 2brw s ASN 741 Ca 0.07 2.66 0.00 0.00 -0.71 0.00 0.00 52.86 54.89 2brw s ASN 741 Cb 0.10 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 39.14 2brw s ASN 741 CO 0.42 -1.30 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.08 2brw s ILE 742 N -1.35 0.11 0.13 0.60 1.01 -0.74 -1.88 121.20 119.08 2brw s ILE 742 Ca 0.67 0.03 0.07 0.00 0.00 0.00 0.00 60.65 61.42 2brw s ILE 742 Cb -0.38 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 2brw s ILE 742 CO 0.46 0.08 -0.16 -0.83 0.00 0.00 0.00 174.94 174.49 2brw s GLY 743 N 0.49 1.16 -0.07 6.18 0.00 -0.41 0.07 107.32 114.74 2brw s GLY 743 Ca -0.04 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 2brw s GLY 743 CO -0.01 -1.37 -0.01 -0.19 0.00 0.00 0.00 173.10 171.52 2brw s TYR 744 N -1.97 0.69 -0.17 1.90 1.51 0.19 -1.83 117.35 117.67 2brw s TYR 744 Ca 0.10 -0.18 -0.02 0.00 -1.01 0.00 0.00 57.07 55.96 2brw s TYR 744 Cb -0.06 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 2brw s TYR 744 CO 0.04 -0.31 -0.10 0.12 -1.11 0.00 0.00 175.55 174.19 2brw s PHE 745 N 1.80 2.88 -0.29 2.71 5.36 0.01 -1.59 117.98 128.86 2brw s PHE 745 Ca 0.03 -0.78 -0.14 0.00 -0.96 0.00 0.00 56.93 55.08 2brw s PHE 745 Cb -0.13 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 2brw s PHE 745 CO -0.05 -0.35 0.31 -0.06 -1.46 0.00 0.00 175.22 173.61 2brw s PHE 746 N 0.80 3.23 0.62 10.12 0.40 0.01 0.64 117.98 133.80 2brw s PHE 746 Ca -0.03 0.18 0.35 0.00 -0.60 0.00 0.00 56.93 56.83 2brw s PHE 746 Cb -0.15 -2.53 2.05 0.00 0.51 0.00 0.00 43.02 42.90 2brw s PHE 746 CO 0.01 -0.27 2.30 0.74 0.70 0.00 0.00 175.22 178.70 2brw h PHE 747 N 8.32 0.00 -3.10 0.36 0.04 -1.83 -3.38 116.94 117.36 2brw h PHE 747 Ca -0.32 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.17 2brw h PHE 747 Cb 1.17 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 38.97 2brw h PHE 747 CO 0.74 0.00 -0.62 0.15 -0.60 0.00 0.00 178.31 177.98 2brw s LYS 748 N -4.44 0.05 -0.41 1.51 1.02 -1.26 -5.02 119.74 111.19 2brw s LYS 748 Ca -0.05 0.54 -0.45 0.00 0.02 0.00 0.00 55.97 56.03 2brw s LYS 748 Cb 0.14 -0.24 -0.19 0.00 -0.52 0.00 0.00 37.83 37.02 2brw s LYS 748 CO 0.50 -0.28 1.56 1.63 -0.92 0.00 0.00 175.35 177.83 2brw n LYS 749 N 5.12 0.17 -4.34 1.68 5.02 -1.26 -4.93 118.16 119.62 2brw n LYS 749 Ca -0.09 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 2brw n LYS 749 Cb 0.50 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 2brw n LYS 749 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2brw s SER 750 N 2.70 4.19 -0.42 4.39 0.01 0.41 -4.70 113.70 120.28 2brw s SER 750 Ca 1.02 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 57.28 2brw s SER 750 Cb -1.41 -0.59 0.06 0.00 0.21 0.00 0.00 66.02 64.29 2brw s SER 750 CO 0.77 -0.11 0.29 -0.55 0.41 0.00 0.00 173.24 174.05 2brw s SER 751 N -3.67 5.85 0.39 2.44 0.15 -1.26 0.40 113.70 118.00 2brw s SER 751 Ca 0.33 -1.29 0.08 0.00 0.70 0.00 0.00 55.95 55.77 2brw s SER 751 Cb -0.03 -2.07 -0.07 0.00 -1.71 0.00 0.00 66.02 62.14 2brw s SER 751 CO 0.19 -0.53 0.04 0.27 1.20 0.00 0.00 173.24 174.41 2brw s ILE 752 N 1.54 2.22 0.09 6.45 -4.36 -0.98 -4.39 121.20 121.77 2brw s ILE 752 Ca 0.03 -1.94 0.06 0.00 -0.26 0.00 0.00 60.65 58.54 2brw s ILE 752 Cb -0.22 -2.92 -0.03 0.00 1.25 0.00 0.00 42.46 40.54 2brw s ILE 752 CO 0.05 -0.06 -0.17 -0.94 0.24 0.00 0.00 174.94 174.06 2brw s SER 753 N -3.75 2.05 0.06 4.36 1.04 0.03 0.81 113.70 118.30 2brw s SER 753 Ca 0.36 -0.66 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 2brw s SER 753 Cb 0.06 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2brw s SER 753 CO 0.19 -0.03 0.03 -0.04 0.98 0.00 0.00 173.24 174.38 2brw s MET 754 N -1.90 0.67 0.12 4.02 -1.94 -0.42 -1.61 119.30 118.24 2brw s MET 754 Ca 0.02 -1.14 -0.26 0.00 -1.71 0.00 0.00 55.69 52.61 2brw s MET 754 Cb -0.09 0.25 0.07 0.00 2.01 0.00 0.00 34.83 37.06 2brw s MET 754 CO 0.03 -0.15 0.88 -1.54 -0.01 0.00 0.00 175.02 174.23 2brw s SER 755 N -2.88 -0.28 -0.09 3.03 1.04 -0.88 -2.10 113.70 111.53 2brw s SER 755 Ca 0.06 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 2brw s SER 755 Cb 0.07 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2brw s SER 755 CO -0.10 -0.87 0.17 -0.75 0.98 0.00 0.00 173.24 172.67 2brw s LYS 756 N -3.35 0.07 0.18 4.02 2.20 0.70 -1.00 119.74 122.57 2brw s LYS 756 Ca 0.09 0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 56.05 2brw s LYS 756 Cb -0.02 -0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.13 2brw s LYS 756 CO -0.02 -0.26 0.51 0.00 -0.36 0.00 0.00 175.35 175.22 2brw s ALA 757 N 1.95 -1.03 -0.16 3.13 0.00 -0.77 -2.72 121.76 122.16 2brw s ALA 757 Ca -0.01 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 2brw s ALA 757 Cb -0.12 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 2brw s ALA 757 CO -0.06 -0.77 0.85 -1.17 0.00 0.00 0.00 175.76 174.60 2brw s LEU 758 N -2.84 4.19 -0.15 0.00 2.96 -1.26 -0.65 118.68 120.92 2brw s LEU 758 Ca 0.07 1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2brw s LEU 758 Cb -0.01 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 2brw s LEU 758 CO -0.06 -0.39 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.38 2brw s GLN 759 N 2.09 3.42 0.01 1.98 -0.21 0.19 -4.97 119.66 122.18 2brw s GLN 759 Ca 0.39 -0.65 0.04 0.00 0.02 0.00 0.00 55.36 55.16 2brw s GLN 759 Cb -0.17 -2.75 -0.03 0.00 1.00 0.00 0.00 33.01 31.06 2brw s GLN 759 CO 0.13 0.13 -0.07 0.15 -2.12 0.00 0.00 175.29 173.51 2brw s LYS 760 N 0.60 2.52 -0.08 2.91 1.02 -1.26 -1.77 119.74 123.68 2brw s LYS 760 Ca -0.06 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 2brw s LYS 760 Cb -0.15 -2.49 0.11 0.00 -0.52 0.00 0.00 37.83 34.78 2brw s LYS 760 CO 0.03 0.59 0.92 0.20 -0.92 0.00 0.00 175.35 176.17 2brw s GLY 761 N -1.50 -0.39 -0.03 -3.33 0.00 0.13 -4.87 107.32 97.34 2brw s GLY 761 Ca 0.18 1.49 0.07 0.00 0.00 0.00 0.00 44.72 46.46 2brw s GLY 761 CO 0.08 0.69 -0.25 0.00 0.00 0.00 0.00 173.10 173.63 2brw s ALA 762 N -2.07 2.22 0.55 3.20 0.00 -1.26 0.13 121.76 124.54 2brw s ALA 762 Ca 0.01 -1.10 0.33 0.00 0.00 0.00 0.00 51.96 51.20 2brw s ALA 762 Cb -0.01 -0.61 1.48 0.00 0.00 0.00 0.00 23.12 23.99 2brw s ALA 762 CO -0.03 0.53 1.83 -1.49 0.00 0.00 0.00 175.76 176.60 2brw h TRP 763 N 5.51 0.00 0.00 0.00 4.06 -1.68 0.12 115.95 123.95 2brw h TRP 763 Ca -0.43 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.50 2brw h TRP 763 Cb 1.13 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.28 2brw h TRP 763 CO 0.40 0.00 -0.13 -0.22 -3.56 0.00 0.00 178.44 174.94 2brw h LYS 764 N 0.00 0.00 0.00 0.49 3.64 -1.19 -1.31 116.57 118.20 2brw h LYS 764 Ca 0.44 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 2brw h LYS 764 Cb 1.88 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2brw h LYS 764 CO -0.00 0.13 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.74 2brw h ASP 765 N 0.00 0.00 -0.00 4.20 3.32 -1.06 -2.83 116.42 120.05 2brw h ASP 765 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2brw h ASP 765 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2brw h ASP 765 CO 0.02 0.12 -0.29 2.30 -1.72 0.00 0.00 179.24 179.66 2brw n ILE 766 N -3.70 0.00 -3.23 0.35 -5.35 -0.90 -4.78 119.36 101.76 2brw n ILE 766 Ca -0.02 -0.35 -0.01 0.00 -0.27 0.00 0.00 62.75 62.10 2brw n ILE 766 Cb 0.23 1.08 -0.04 0.00 -1.74 0.00 0.00 39.64 39.18 2brw n ILE 766 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2brw s ASN 767 N -1.56 -0.77 0.20 7.28 3.84 -0.54 -0.71 114.94 122.68 2brw s ASN 767 Ca 0.07 0.54 -0.20 0.00 0.21 0.00 0.00 52.86 53.48 2brw s ASN 767 Cb 0.08 1.75 0.16 0.00 -0.55 0.00 0.00 41.25 42.69 2brw s ASN 767 CO 0.30 -0.28 1.58 -0.33 -2.79 0.00 0.00 177.10 175.58 2brw h GLU 768 N 8.07 -0.12 0.00 0.43 4.39 -1.39 0.78 114.58 126.74 2brw h GLU 768 Ca -0.19 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2brw h GLU 768 Cb 1.16 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2brw h GLU 768 CO 0.26 -0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 2brw n GLY 769 N -1.45 -0.54 4.01 -3.84 0.00 -1.26 -4.82 105.19 97.30 2brw n GLY 769 Ca 0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2brw n GLY 769 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2brw s GLN 770 N -2.00 2.60 0.30 1.61 -1.52 0.27 -5.06 119.66 115.84 2brw s GLN 770 Ca 0.05 -1.32 -0.29 0.00 -1.95 0.00 0.00 55.36 51.85 2brw s GLN 770 Cb 0.02 -2.69 -0.10 0.00 -0.22 0.00 0.00 33.01 30.03 2brw s GLN 770 CO 0.04 -0.54 1.27 0.45 -0.25 0.00 0.00 175.29 176.26 2brw s SER 771 N -4.47 6.90 0.00 5.90 0.15 -1.26 -4.16 113.70 116.76 2brw s SER 771 Ca 0.58 2.55 0.29 0.00 0.70 0.00 0.00 55.95 60.07 2brw s SER 771 Cb -0.09 -2.64 1.18 0.00 -1.71 0.00 0.00 66.02 62.77 2brw s SER 771 CO 0.36 -0.45 1.83 -0.90 1.20 0.00 0.00 173.24 175.27 2brw n ASP 772 N 1.23 0.61 -4.68 5.45 5.68 -1.26 -0.98 116.55 122.60 2brw n ASP 772 Ca 0.01 -0.72 -0.48 0.00 -0.50 0.00 0.00 54.79 53.10 2brw n ASP 772 Cb 0.43 -0.03 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 2brw n ASP 772 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2brw n LYS 773 N -0.82 2.13 -1.89 0.11 4.81 -1.26 -4.80 118.16 116.44 2brw n LYS 773 Ca 0.15 0.78 -0.41 0.00 -0.87 0.00 0.00 58.31 57.96 2brw n LYS 773 Cb 0.28 -2.61 -0.01 0.00 0.02 0.00 0.00 35.03 32.72 2brw n LYS 773 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2brw s GLU 774 N 3.46 4.19 0.19 1.64 2.12 -1.26 -4.31 118.70 124.72 2brw s GLU 774 Ca 0.90 2.46 0.11 0.00 0.36 0.00 0.00 54.97 58.80 2brw s GLU 774 Cb -0.70 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2brw s GLU 774 CO 0.50 -0.47 -0.22 0.08 -0.54 0.00 0.00 175.26 174.60 2brw s VAL 775 N -0.61 2.45 -0.12 3.70 1.01 0.36 -4.93 120.40 122.26 2brw s VAL 775 Ca 0.56 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.42 2brw s VAL 775 Cb -0.45 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2brw s VAL 775 CO 0.53 -0.10 0.42 -1.83 0.00 0.00 0.00 175.10 174.12 2brw s GLU 776 N -2.64 0.59 0.09 2.72 -1.05 -1.26 0.21 118.70 117.35 2brw s GLU 776 Ca 0.21 0.37 -0.11 0.00 -0.15 0.00 0.00 54.97 55.29 2brw s GLU 776 Cb -0.08 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 2brw s GLU 776 CO 0.10 -0.11 0.25 -0.80 0.95 0.00 0.00 175.26 175.65 2brw s ASN 777 N -0.28 0.01 -0.10 0.83 0.01 -0.73 -4.98 114.94 109.70 2brw s ASN 777 Ca -0.04 -0.52 -0.06 0.00 -0.71 0.00 0.00 52.86 51.52 2brw s ASN 777 Cb -0.03 0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 2brw s ASN 777 CO 0.02 -0.74 0.13 -0.70 -1.51 0.00 0.00 177.10 174.30 2brw s GLU 778 N -3.68 3.39 0.03 -0.60 2.12 -1.26 0.56 118.70 119.27 2brw s GLU 778 Ca 0.03 -0.18 0.03 0.00 0.36 0.00 0.00 54.97 55.21 2brw s GLU 778 Cb 0.03 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 2brw s GLU 778 CO -0.10 0.76 -0.10 -0.06 -0.54 0.00 0.00 175.26 175.22 2brw s PHE 779 N -1.05 0.87 -0.27 5.30 0.40 0.18 -1.61 117.98 121.80 2brw s PHE 779 Ca 0.16 -0.34 -0.08 0.00 -0.60 0.00 0.00 56.93 56.07 2brw s PHE 779 Cb -0.12 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.86 2brw s PHE 779 CO 0.06 -0.01 0.11 -1.17 0.70 0.00 0.00 175.22 174.90 2brw s LEU 780 N -1.04 3.67 -0.11 -0.37 0.20 -0.26 -1.85 118.68 118.93 2brw s LEU 780 Ca -0.02 -0.21 -0.00 0.00 0.69 0.00 0.00 54.13 54.59 2brw s LEU 780 Cb -0.07 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.68 2brw s LEU 780 CO 0.01 -0.06 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.03 2brw s THR 781 N 1.65 3.46 -0.20 3.68 2.01 -0.17 -0.58 115.64 125.49 2brw s THR 781 Ca 0.06 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2brw s THR 781 Cb -0.16 -2.45 0.05 0.00 0.01 0.00 0.00 72.50 69.96 2brw s THR 781 CO 0.06 0.55 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.85 2brw s ILE 782 N -0.17 1.36 0.20 1.82 1.01 0.23 -2.08 121.20 123.58 2brw s ILE 782 Ca 0.01 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.77 2brw s ILE 782 Cb -0.13 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 2brw s ILE 782 CO 0.03 0.02 -0.09 -0.94 0.00 0.00 0.00 174.94 173.96 2brw s SER 783 N 1.50 2.22 -0.15 3.58 1.04 -0.64 0.85 113.70 122.10 2brw s SER 783 Ca -0.02 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 2brw s SER 783 Cb -0.17 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.92 2brw s SER 783 CO -0.07 -0.31 -0.01 -1.58 0.98 0.00 0.00 173.24 172.25 2brw s GLN 784 N -3.73 0.98 0.68 4.02 0.74 -0.54 -0.79 119.66 121.02 2brw s GLN 784 Ca 0.23 -0.30 -0.13 0.00 0.05 0.00 0.00 55.36 55.20 2brw s GLN 784 Cb 0.02 -1.74 0.00 0.00 1.10 0.00 0.00 33.01 32.40 2brw s GLN 784 CO 0.06 -0.45 1.07 0.00 -0.55 0.00 0.00 175.29 175.42 2brw s ALA 785 N 1.80 2.58 -0.33 1.58 0.00 -1.26 -0.79 121.76 125.33 2brw s ALA 785 Ca 0.02 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.26 2brw s ALA 785 Cb -0.15 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 19.84 2brw s ALA 785 CO -0.07 -1.22 0.11 -1.01 0.00 0.00 0.00 175.76 173.57 2brw s HIS 786 N -2.73 1.80 0.02 0.00 0.09 0.14 -4.87 115.29 109.74 2brw s HIS 786 Ca 0.62 -1.87 0.02 0.00 -0.00 0.00 0.00 55.06 53.84 2brw s HIS 786 Cb -0.16 -1.77 -0.25 0.00 -0.00 0.00 0.00 32.58 30.40 2brw s HIS 786 CO 0.48 -0.87 0.92 0.87 -0.00 0.00 0.00 174.74 176.14 2brw h LYS 787 N 7.89 0.14 -6.18 1.40 1.57 -1.97 -3.36 116.57 116.06 2brw h LYS 787 Ca -0.11 -0.24 -0.57 0.00 -1.87 0.00 0.00 60.65 57.85 2brw h LYS 787 Cb 1.00 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 33.29 2brw h LYS 787 CO 0.47 0.97 -0.67 -0.65 -0.57 0.00 0.00 179.45 178.99 2brw s GLN 788 N -2.64 2.10 0.27 3.15 -0.21 -1.26 -5.05 119.66 116.02 2brw s GLN 788 Ca -0.06 -1.55 -0.29 0.00 0.02 0.00 0.00 55.36 53.47 2brw s GLN 788 Cb 0.08 -2.03 -0.09 0.00 1.00 0.00 0.00 33.01 31.97 2brw s GLN 788 CO 0.84 0.33 1.25 -0.80 -2.12 0.00 0.00 175.29 174.79 2brw s ASN 789 N -3.63 6.95 0.00 5.90 0.01 -1.26 -3.27 114.94 119.64 2brw s ASN 789 Ca 0.31 2.46 0.00 0.00 -0.71 0.00 0.00 52.86 54.93 2brw s ASN 789 Cb -0.05 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.98 2brw s ASN 789 CO 0.18 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 2brw n GLY 790 N 1.51 0.60 3.80 0.66 0.00 0.50 -4.98 105.19 107.28 2brw n GLY 790 Ca 0.02 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2brw n GLY 790 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2brw s ASP 791 N -2.66 2.07 0.25 1.61 1.01 -1.05 -4.53 116.67 113.37 2brw s ASP 791 Ca 0.00 0.35 -0.21 0.00 0.71 0.00 0.00 52.55 53.39 2brw s ASP 791 Cb 0.00 -0.41 0.04 0.00 1.01 0.00 0.00 42.92 43.56 2brw s ASP 791 CO 0.00 -3.39 0.83 -0.94 0.21 0.00 0.00 175.17 171.88 2brw s SER 792 N -4.55 -0.16 0.04 0.27 1.04 -1.26 -2.13 113.70 106.95 2brw s SER 792 Ca 0.74 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 56.50 2brw s SER 792 Cb -0.05 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 2brw s SER 792 CO 0.54 -1.25 0.00 -0.72 0.98 0.00 0.00 173.24 172.80 2brw s TYR 793 N -3.28 0.36 -0.30 5.02 -0.85 -0.42 -4.99 117.35 112.89 2brw s TYR 793 Ca 0.13 -0.76 -0.01 0.00 -0.52 0.00 0.00 57.07 55.91 2brw s TYR 793 Cb -0.04 -0.26 0.19 0.00 0.38 0.00 0.00 41.96 42.23 2brw s TYR 793 CO 0.06 -0.32 0.61 0.20 -1.52 0.00 0.00 175.55 174.58 2brw s GLY 794 N -2.29 -0.99 0.04 5.49 0.00 -1.26 -1.83 107.32 106.48 2brw s GLY 794 Ca -0.03 1.84 -0.13 0.00 0.00 0.00 0.00 44.72 46.41 2brw s GLY 794 CO -0.06 3.41 0.28 -2.52 0.00 0.00 0.00 173.10 174.20 2brw s TYR 795 N 2.86 -0.07 -0.18 1.90 -0.85 -0.73 -2.79 117.35 117.50 2brw s TYR 795 Ca 0.20 -0.08 -0.04 0.00 -0.52 0.00 0.00 57.07 56.63 2brw s TYR 795 Cb -0.15 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 2brw s TYR 795 CO -0.21 -0.48 -0.04 1.41 -1.52 0.00 0.00 175.55 174.72 2brw s MET 796 N -2.48 3.56 -0.27 -3.49 -2.45 0.21 0.13 119.30 114.51 2brw s MET 796 Ca -0.06 -0.56 -0.13 0.00 -1.25 0.00 0.00 55.69 53.69 2brw s MET 796 Cb -0.01 -2.96 -0.04 0.00 1.25 0.00 0.00 34.83 33.06 2brw s MET 796 CO -0.03 0.06 0.28 -1.17 1.05 0.00 0.00 175.02 175.21 2brw s LEU 797 N 0.83 4.04 -0.24 4.11 2.96 0.35 -0.81 118.68 129.93 2brw s LEU 797 Ca -0.01 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2brw s LEU 797 Cb -0.15 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.32 2brw s LEU 797 CO 0.02 -0.11 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.19 2brw s ILE 798 N 1.84 2.06 0.28 6.68 1.01 -0.76 -2.14 121.20 130.18 2brw s ILE 798 Ca 0.11 -1.44 0.06 0.00 0.00 0.00 0.00 60.65 59.38 2brw s ILE 798 Cb -0.16 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2brw s ILE 798 CO 0.10 0.08 0.36 -2.16 0.00 0.00 0.00 174.94 173.31 2brw s PRO 799 N 1.18 3.16 -1.43 2.79 0.04 -1.26 -1.29 135.00 138.18 2brw s PRO 799 Ca -0.06 -0.96 -0.08 0.00 0.04 0.00 0.00 61.00 59.94 2brw s PRO 799 Cb -0.18 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.61 2brw s PRO 799 CO -0.07 0.27 0.99 0.09 0.04 0.00 0.00 177.00 178.32 2brw n ASN 800 N -1.44 -6.17 -4.13 6.66 4.13 -0.79 -5.00 115.26 108.52 2brw n ASN 800 Ca -0.05 -0.48 -0.10 0.00 1.68 0.00 0.00 54.58 55.63 2brw n ASN 800 Cb 0.58 -4.90 -0.10 0.00 -1.54 0.00 0.00 39.78 33.82 2brw n ASN 800 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2brw s VAL 801 N -3.27 0.54 0.70 2.41 -7.23 -1.24 -4.78 120.40 107.53 2brw s VAL 801 Ca 0.51 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 2brw s VAL 801 Cb -0.23 -1.49 0.04 0.00 0.56 0.00 0.00 36.38 35.27 2brw s VAL 801 CO 0.63 -0.84 1.04 1.51 -0.31 0.00 0.00 175.10 177.13 2brw s ASP 802 N -2.81 5.09 0.37 4.85 1.47 -1.26 -4.78 116.67 119.60 2brw s ASP 802 Ca 0.07 0.74 0.12 0.00 1.18 0.00 0.00 52.55 54.66 2brw s ASP 802 Cb 0.04 -1.48 0.91 0.00 -0.34 0.00 0.00 42.92 42.04 2brw s ASP 802 CO -0.05 -1.47 1.85 -0.09 0.68 0.00 0.00 175.17 176.08 2brw h ARG 803 N -0.60 0.58 -0.15 2.11 2.43 -1.98 0.47 114.38 117.23 2brw h ARG 803 Ca -0.45 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.52 2brw h ARG 803 Cb 1.29 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2brw h ARG 803 CO 0.62 0.38 -0.58 0.00 -1.51 0.00 0.00 179.97 178.88 2brw h ALA 804 N 1.61 0.71 0.06 2.80 0.00 -1.98 -1.01 119.26 121.45 2brw h ALA 804 Ca 0.48 -0.53 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 2brw h ALA 804 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2brw h ALA 804 CO -0.23 0.70 -1.08 1.15 0.00 0.00 0.00 179.25 179.79 2brw h THR 805 N 0.36 1.52 -0.49 0.00 2.02 -1.59 -2.46 112.91 112.28 2brw h THR 805 Ca -0.00 -2.95 -0.06 0.00 0.77 0.00 0.00 66.41 64.17 2brw h THR 805 Cb 1.12 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 70.27 2brw h THR 805 CO 0.10 0.86 0.07 0.15 0.37 0.00 0.00 175.52 177.07 2brw h PHE 806 N 0.09 0.88 0.00 3.16 3.57 -0.01 -1.02 116.94 123.61 2brw h PHE 806 Ca -0.09 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 2brw h PHE 806 Cb 1.78 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 2brw h PHE 806 CO 0.04 0.81 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.84 2brw h ASN 807 N 0.70 0.00 0.08 0.41 2.35 -1.19 -2.00 115.58 115.93 2brw h ASN 807 Ca 0.15 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 2brw h ASN 807 Cb 0.41 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.79 2brw h ASN 807 CO 0.01 0.18 -0.51 -0.61 -1.65 0.00 0.00 177.43 174.85 2brw h GLN 808 N 0.00 0.20 -0.04 0.81 5.75 -1.10 -3.22 115.11 117.51 2brw h GLN 808 Ca -0.00 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 2brw h GLN 808 Cb 0.67 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.33 2brw h GLN 808 CO 0.02 1.14 -0.06 0.52 -2.65 0.00 0.00 178.83 177.80 2brw h MET 809 N -0.57 0.05 0.00 1.69 2.86 -1.11 -0.73 114.93 117.13 2brw h MET 809 Ca -0.09 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2brw h MET 809 Cb 1.38 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 2brw h MET 809 CO 0.10 0.11 -0.21 -0.84 1.06 0.00 0.00 176.91 177.13 2brw h ILE 810 N 0.05 0.57 0.00 -1.22 3.07 -1.43 -1.06 117.51 117.50 2brw h ILE 810 Ca 0.01 -0.98 -0.18 0.00 1.55 0.00 0.00 64.86 65.26 2brw h ILE 810 Cb 0.14 1.66 -0.03 0.00 -0.27 0.00 0.00 36.82 38.32 2brw h ILE 810 CO 0.01 0.20 -0.87 0.11 -1.05 0.00 0.00 178.15 176.54 2brw h LYS 811 N 0.00 0.00 0.03 0.16 1.57 -1.16 -3.29 116.57 113.88 2brw h LYS 811 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2brw h LYS 811 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2brw h LYS 811 CO 0.03 0.81 -1.00 0.93 -0.57 0.00 0.00 179.45 179.65 2brw h GLU 812 N 0.00 0.10 -1.08 3.15 5.08 -0.87 -3.27 114.58 117.68 2brw h GLU 812 Ca -0.02 -0.15 -0.26 0.00 -1.00 0.00 0.00 59.36 57.93 2brw h GLU 812 Cb 1.65 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 30.81 2brw h GLU 812 CO 0.11 1.01 0.34 1.28 -1.00 0.00 0.00 179.01 180.74 2brw n LEU 813 N -3.49 5.08 0.02 1.33 4.77 -0.46 -4.53 117.00 119.72 2brw n LEU 813 Ca -0.03 -2.65 -0.11 0.00 -0.03 0.00 0.00 56.01 53.20 2brw n LEU 813 Cb 0.91 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2brw n LEU 813 CO 0.48 0.84 0.84 -0.08 -1.33 0.00 0.00 177.39 178.15 2brw h GLU 814 N 0.65 -0.03 -0.57 3.23 4.81 -1.68 -3.18 114.58 117.80 2brw h GLU 814 Ca 0.31 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 59.16 2brw h GLU 814 Cb 1.74 0.01 -0.24 0.00 0.63 0.00 0.00 28.75 30.89 2brw h GLU 814 CO 0.57 -0.02 -0.23 -1.13 -0.73 0.00 0.00 179.01 177.48 2brw n SER 815 N -5.15 4.08 0.20 1.04 3.41 -1.26 -4.68 113.62 111.25 2brw n SER 815 Ca -0.05 -3.79 0.08 0.00 -0.26 0.00 0.00 58.87 54.85 2brw n SER 815 Cb 0.08 -0.58 0.37 0.00 -0.26 0.00 0.00 64.21 63.82 2brw n SER 815 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2brw h SER 816 N 1.57 0.00 -3.60 4.04 4.64 -1.76 -3.42 113.55 115.02 2brw h SER 816 Ca 0.32 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.08 2brw h SER 816 Cb 1.44 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.46 2brw h SER 816 CO 0.68 0.29 0.89 -0.22 -0.87 0.00 0.00 176.83 177.60 2brw s LEU 817 N -6.78 3.65 -0.03 5.97 2.96 -1.26 0.15 118.68 123.34 2brw s LEU 817 Ca 0.01 0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 54.15 2brw s LEU 817 Cb 0.10 -3.42 -0.31 0.00 0.50 0.00 0.00 46.19 43.06 2brw s LEU 817 CO 0.66 -1.28 0.76 0.40 -1.32 0.00 0.00 176.35 175.57 2brw h ILE 818 N 6.20 1.03 -1.38 6.68 1.08 -1.11 -3.48 117.51 126.54 2brw h ILE 818 Ca -0.24 -2.60 0.15 0.00 -0.39 0.00 0.00 64.86 61.78 2brw h ILE 818 Cb 1.06 2.81 -0.24 0.00 -3.07 0.00 0.00 36.82 37.38 2brw h ILE 818 CO 1.13 0.84 0.71 -0.70 -0.69 0.00 0.00 178.15 179.44 2brw s GLU 819 N -2.59 0.39 -0.49 2.37 2.56 -0.78 -4.92 118.70 115.24 2brw s GLU 819 Ca -0.13 0.08 0.06 0.00 0.00 0.00 0.00 54.97 54.98 2brw s GLU 819 Cb 0.05 0.18 0.18 0.00 2.00 0.00 0.00 34.13 36.55 2brw s GLU 819 CO 0.87 -0.12 0.62 1.21 -0.56 0.00 0.00 175.26 177.27 2brw s ASN 820 N -1.13 -0.63 0.11 -1.70 3.04 -1.23 0.10 114.94 113.51 2brw s ASN 820 Ca 0.03 -2.09 0.01 0.00 0.04 0.00 0.00 52.86 50.85 2brw s ASN 820 Cb -0.01 1.24 -0.00 0.00 -1.54 0.00 0.00 41.25 40.94 2brw s ASN 820 CO -0.02 -0.09 0.05 -0.46 -3.04 0.00 0.00 177.10 173.53 2brw n ASN 821 N 2.95 0.88 0.00 -4.21 0.23 -0.13 -4.89 115.26 110.11 2brw n ASN 821 Ca 0.21 -1.61 0.07 0.00 -0.53 0.00 0.00 54.58 52.72 2brw n ASN 821 Cb 0.54 0.31 0.41 0.00 -2.08 0.00 0.00 39.78 38.95 2brw n ASN 821 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2brw n GLU 822 N -0.25 0.39 0.00 -3.83 0.00 -1.26 -3.38 120.64 112.31 2brw n GLU 822 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2brw n GLU 822 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.11 2brw n GLU 822 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2brw n THR 823 N -1.07 0.00 -3.78 3.84 -2.24 -1.26 -4.87 114.28 104.90 2brw n THR 823 Ca 0.10 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 2brw n THR 823 Cb 0.06 0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 2brw n THR 823 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2brw s LEU 824 N -0.77 1.01 -0.05 3.22 2.96 -1.22 -0.67 118.68 123.16 2brw s LEU 824 Ca 0.00 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2brw s LEU 824 Cb 0.00 0.40 0.02 0.00 0.50 0.00 0.00 46.19 47.11 2brw s LEU 824 CO 0.00 -0.11 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.77 2brw s GLN 825 N 0.77 0.92 -0.21 1.98 -0.21 -0.59 -0.95 119.66 121.38 2brw s GLN 825 Ca -0.06 -0.14 -0.24 0.00 0.02 0.00 0.00 55.36 54.95 2brw s GLN 825 Cb -0.08 -0.91 0.06 0.00 1.00 0.00 0.00 33.01 33.09 2brw s GLN 825 CO -0.04 -0.08 0.65 0.45 -2.12 0.00 0.00 175.29 174.16 2brw s SER 826 N 0.92 -0.67 0.03 5.90 0.15 0.12 -0.62 113.70 119.52 2brw s SER 826 Ca -0.11 1.18 0.06 0.00 0.70 0.00 0.00 55.95 57.78 2brw s SER 826 Cb -0.14 1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 65.32 2brw s SER 826 CO 0.00 -0.31 -0.17 -0.69 1.20 0.00 0.00 173.24 173.28 2brw s VAL 827 N 0.02 1.37 -0.06 4.45 1.01 -0.80 -0.62 120.40 125.77 2brw s VAL 827 Ca -0.02 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2brw s VAL 827 Cb -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2brw s VAL 827 CO 0.03 0.16 -0.25 -0.47 0.00 0.00 0.00 175.10 174.56 2brw s TYR 828 N -0.74 2.45 -0.48 5.22 5.04 0.39 -1.31 117.35 127.93 2brw s TYR 828 Ca 0.05 -0.77 -0.08 0.00 -2.44 0.00 0.00 57.07 53.83 2brw s TYR 828 Cb -0.08 -1.61 0.12 0.00 0.35 0.00 0.00 41.96 40.74 2brw s TYR 828 CO 0.01 -0.25 0.33 0.34 -1.34 0.00 0.00 175.55 174.65 2brw s ASP 829 N -0.10 5.62 0.24 4.32 -1.08 0.56 -4.43 116.67 121.80 2brw s ASP 829 Ca -0.06 -2.01 -0.06 0.00 -0.52 0.00 0.00 52.55 49.90 2brw s ASP 829 Cb -0.14 -1.97 0.24 0.00 -1.46 0.00 0.00 42.92 39.58 2brw s ASP 829 CO 0.04 -0.64 1.84 0.00 0.52 0.00 0.00 175.17 176.93 2brw h ALA 830 N 8.28 1.16 0.06 3.66 0.00 -1.92 0.21 119.26 130.70 2brw h ALA 830 Ca -0.18 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2brw h ALA 830 Cb 1.06 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2brw h ALA 830 CO 0.82 0.65 -0.32 -0.22 0.00 0.00 0.00 179.25 180.17 2brw h LYS 831 N 1.18 -0.50 0.00 0.00 3.64 -1.94 -3.08 116.57 115.87 2brw h LYS 831 Ca 0.29 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.55 2brw h LYS 831 Cb 0.10 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2brw h LYS 831 CO -0.04 -0.33 -0.78 1.96 -2.27 0.00 0.00 179.45 177.99 2brw h GLN 832 N -0.51 0.00 -1.49 1.90 4.20 -1.94 -3.47 115.11 113.79 2brw h GLN 832 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2brw h GLN 832 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 2brw h GLN 832 CO -0.23 0.69 0.00 0.41 -0.67 0.00 0.00 178.83 179.03 2brw n GLY 833 N 1.29 0.63 3.13 3.46 0.00 0.68 -4.79 105.19 109.60 2brw n GLY 833 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2brw n GLY 833 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brw s VAL 834 N -2.86 1.16 0.05 1.61 1.01 -0.93 -0.98 120.40 119.46 2brw s VAL 834 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.30 2brw s VAL 834 Cb 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2brw s VAL 834 CO 0.00 0.21 -0.24 0.26 0.00 0.00 0.00 175.10 175.33 2brw s TRP 835 N -0.53 2.11 -0.21 5.22 0.51 0.29 -0.32 118.94 126.01 2brw s TRP 835 Ca 0.04 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 2brw s TRP 835 Cb -0.06 -1.26 0.04 0.00 -0.81 0.00 0.00 33.47 31.38 2brw s TRP 835 CO 0.00 0.11 -0.16 0.20 -0.51 0.00 0.00 176.95 176.60 2brw s GLY 836 N -1.23 1.50 0.00 0.98 0.00 -0.43 -0.08 107.32 108.06 2brw s GLY 836 Ca 0.10 -1.45 0.05 0.00 0.00 0.00 0.00 44.72 43.42 2brw s GLY 836 CO 0.02 0.44 -0.15 -0.42 0.00 0.00 0.00 173.10 172.99 2brw s ILE 837 N 1.22 1.15 -0.09 0.90 1.01 -0.13 -1.90 121.20 123.35 2brw s ILE 837 Ca -0.01 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2brw s ILE 837 Cb -0.16 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2brw s ILE 837 CO -0.09 0.25 -0.09 -0.69 0.00 0.00 0.00 174.94 174.32 2brw s VAL 838 N -0.45 1.04 -0.09 2.92 1.01 0.20 -0.13 120.40 124.90 2brw s VAL 838 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2brw s VAL 838 Cb -0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2brw s VAL 838 CO -0.00 0.35 -0.20 -0.54 0.00 0.00 0.00 175.10 174.71 2brw s LYS 839 N 1.20 2.95 0.00 2.72 1.02 0.22 -1.54 119.74 126.32 2brw s LYS 839 Ca -0.05 -0.81 0.23 0.00 0.02 0.00 0.00 55.97 55.36 2brw s LYS 839 Cb -0.14 -2.37 0.07 0.00 -0.52 0.00 0.00 37.83 34.87 2brw s LYS 839 CO -0.03 0.29 1.14 0.66 -0.92 0.00 0.00 175.35 176.50 2brw n TYR 840 N 3.24 0.00 -4.08 3.18 4.02 0.15 -0.76 117.16 122.91 2brw n TYR 840 Ca -0.18 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.59 2brw n TYR 840 Cb 0.53 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.77 2brw n TYR 840 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2brw s ASP 841 N -2.45 0.30 -0.45 7.72 1.47 -1.26 -4.89 116.67 117.11 2brw s ASP 841 Ca 0.20 -1.23 0.01 0.00 1.18 0.00 0.00 52.55 52.70 2brw s ASP 841 Cb 0.18 0.55 0.44 0.00 -0.34 0.00 0.00 42.92 43.76 2brw s ASP 841 CO 0.55 -1.11 1.89 0.47 0.68 0.00 0.00 175.17 177.66 2brw n ASP 842 N -0.67 5.52 -4.78 2.11 8.00 -1.26 -2.59 116.55 122.87 2brw n ASP 842 Ca 0.00 -3.40 -0.28 0.00 0.71 0.00 0.00 54.79 51.82 2brw n ASP 842 Cb 0.63 -0.90 0.10 0.00 -0.02 0.00 0.00 41.12 40.93 2brw n ASP 842 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2brw s SER 843 N -0.94 4.33 -0.21 -2.24 1.04 -1.25 -4.75 113.70 109.68 2brw s SER 843 Ca 0.49 0.63 -0.16 0.00 0.48 0.00 0.00 55.95 57.38 2brw s SER 843 Cb 0.39 -1.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 2brw s SER 843 CO 0.04 -1.99 0.42 -0.69 0.98 0.00 0.00 173.24 172.00 2brw s VAL 844 N -3.57 5.18 -0.11 5.02 1.01 -1.26 -4.49 120.40 122.18 2brw s VAL 844 Ca 0.64 0.75 0.02 0.00 0.00 0.00 0.00 61.98 63.38 2brw s VAL 844 Cb -0.10 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2brw s VAL 844 CO 0.49 0.23 -0.18 -0.44 0.00 0.00 0.00 175.10 175.19 2brw s SER 845 N 1.12 3.60 -0.26 3.32 0.01 -0.89 -4.98 113.70 115.61 2brw s SER 845 Ca 0.20 -0.42 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 2brw s SER 845 Cb -0.15 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 2brw s SER 845 CO 0.08 0.17 0.12 -0.89 0.41 0.00 0.00 173.24 173.14 2brw s THR 846 N 0.28 4.76 -0.18 1.44 2.01 -1.26 -0.80 115.64 121.88 2brw s THR 846 Ca -0.13 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 2brw s THR 846 Cb -0.16 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2brw s THR 846 CO 0.07 0.29 0.03 -0.63 -0.69 0.00 0.00 174.62 173.69 2brw s ILE 847 N 1.68 4.41 -1.11 1.82 -1.09 0.10 -4.53 121.20 122.48 2brw s ILE 847 Ca 0.07 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 2brw s ILE 847 Cb -0.16 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2brw s ILE 847 CO 0.07 0.45 0.00 -1.20 -1.23 0.00 0.00 174.94 173.03 2brw n SER 848 N 3.76 -2.97 -2.34 3.58 7.64 -1.26 -0.72 113.62 121.32 2brw n SER 848 Ca -0.17 0.26 -0.19 0.00 1.01 0.00 0.00 58.87 59.79 2brw n SER 848 Cb 0.52 -2.80 -0.02 0.00 -1.01 0.00 0.00 64.21 60.90 2brw n SER 848 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2brw n ASN 849 N -0.49 -5.40 -0.02 6.43 5.15 -1.26 -4.80 115.26 114.87 2brw n ASN 849 Ca -0.11 0.07 -0.02 0.00 -0.60 0.00 0.00 54.58 53.92 2brw n ASN 849 Cb 0.40 -4.54 -0.02 0.00 -0.53 0.00 0.00 39.78 35.09 2brw n ASN 849 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2brw n GLN 850 N -2.90 1.22 -3.93 1.20 6.02 0.11 -4.97 117.38 114.12 2brw n GLN 850 Ca -0.22 0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.69 2brw n GLN 850 Cb 0.67 -1.08 -0.03 0.00 1.02 0.00 0.00 30.24 30.82 2brw n GLN 850 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2brw s PHE 851 N -2.08 0.22 0.02 1.08 -0.12 -1.12 -1.46 117.98 114.52 2brw s PHE 851 Ca -0.04 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.24 2brw s PHE 851 Cb 0.01 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 2brw s PHE 851 CO 0.10 -1.20 -0.16 -0.65 -0.05 0.00 0.00 175.22 173.26 2brw s GLN 852 N -3.56 1.16 -0.10 1.99 -0.21 -0.43 0.02 119.66 118.52 2brw s GLN 852 Ca 0.18 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.84 2brw s GLN 852 Cb -0.03 -1.18 -0.01 0.00 1.00 0.00 0.00 33.01 32.78 2brw s GLN 852 CO 0.10 0.31 -0.17 0.14 -2.12 0.00 0.00 175.29 173.55 2brw s VAL 853 N -0.69 2.74 -0.15 1.09 -7.23 0.02 -1.23 120.40 114.95 2brw s VAL 853 Ca 0.05 -0.79 0.17 0.00 -1.81 0.00 0.00 61.98 59.60 2brw s VAL 853 Cb -0.08 -2.10 -0.25 0.00 0.56 0.00 0.00 36.38 34.52 2brw s VAL 853 CO 0.01 0.55 0.30 0.18 -0.31 0.00 0.00 175.10 175.82 2brw n LEU 854 N 3.23 0.24 -4.55 1.32 4.77 0.62 -2.09 117.00 120.54 2brw n LEU 854 Ca -0.18 0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.61 2brw n LEU 854 Cb 0.53 0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.85 2brw n LEU 854 CO 0.29 0.39 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.75 2brw s LYS 855 N -2.67 2.03 0.15 3.23 -0.14 -1.26 -3.86 119.74 117.22 2brw s LYS 855 Ca -0.08 -1.07 -0.33 0.00 -1.36 0.00 0.00 55.97 53.13 2brw s LYS 855 Cb 0.08 -2.25 -0.13 0.00 -1.68 0.00 0.00 37.83 33.85 2brw s LYS 855 CO 0.84 0.50 1.69 -2.13 -0.76 0.00 0.00 175.35 175.49 2brw n ARG 856 N 0.74 2.45 -3.95 1.68 0.63 -1.07 -4.75 116.66 112.39 2brw n ARG 856 Ca -0.14 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 2brw n ARG 856 Cb 0.52 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.73 2brw n ARG 856 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2brw n GLY 857 N 3.79 -0.58 3.13 5.14 0.00 0.06 -4.86 105.19 111.88 2brw n GLY 857 Ca 0.17 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 2brw n GLY 857 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brw s VAL 858 N -3.00 1.63 0.12 1.61 1.01 -0.37 -0.61 120.40 120.78 2brw s VAL 858 Ca 0.00 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2brw s VAL 858 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2brw s VAL 858 CO 0.00 0.46 -0.17 -0.31 0.00 0.00 0.00 175.10 175.08 2brw s TYR 859 N 0.47 1.59 -0.21 5.22 1.51 0.82 -0.79 117.35 125.96 2brw s TYR 859 Ca -0.17 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.38 2brw s TYR 859 Cb -0.17 -0.85 0.08 0.00 -0.11 0.00 0.00 41.96 40.92 2brw s TYR 859 CO 0.06 0.19 0.14 0.99 -1.11 0.00 0.00 175.55 175.82 2brw s THR 860 N -1.64 -0.15 -0.04 -0.71 2.01 -0.66 -0.96 115.64 113.49 2brw s THR 860 Ca 0.08 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 61.85 2brw s THR 860 Cb -0.08 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 2brw s THR 860 CO 0.04 -0.37 -0.25 -0.63 -0.69 0.00 0.00 174.62 172.73 2brw s ILE 861 N 2.18 1.99 -0.10 1.82 1.01 0.89 -2.62 121.20 126.37 2brw s ILE 861 Ca 0.05 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.69 2brw s ILE 861 Cb -0.16 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 2brw s ILE 861 CO -0.17 0.56 -0.23 -0.60 0.00 0.00 0.00 174.94 174.50 2brw s ARG 862 N -0.29 3.03 -0.30 2.79 3.52 -0.94 0.11 118.95 126.86 2brw s ARG 862 Ca 0.01 -0.87 -0.22 0.00 -0.13 0.00 0.00 55.73 54.52 2brw s ARG 862 Cb -0.12 -2.31 -0.01 0.00 -1.56 0.00 0.00 34.95 30.95 2brw s ARG 862 CO 0.02 0.20 0.69 0.21 -0.81 0.00 0.00 175.30 175.61 2brw s LYS 863 N 0.30 3.95 -0.55 5.12 2.20 -0.15 -0.61 119.74 130.00 2brw s LYS 863 Ca -0.17 0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.87 2brw s LYS 863 Cb -0.18 -3.72 0.14 0.00 -1.51 0.00 0.00 37.83 32.57 2brw s LYS 863 CO 0.08 -0.59 0.35 -1.21 -0.36 0.00 0.00 175.35 173.62 2brw s GLU 864 N 2.73 2.32 7.97 4.03 2.02 -1.03 -4.90 118.70 131.84 2brw s GLU 864 Ca 0.28 -2.36 0.00 0.00 0.02 0.00 0.00 54.97 52.92 2brw s GLU 864 Cb -0.15 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.46 2brw s GLU 864 CO 0.11 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.67 2brw n GLY 865 N 3.72 3.03 1.02 -1.39 0.00 -1.26 -1.38 105.19 108.94 2brw n GLY 865 Ca 0.05 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2brw n GLY 865 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2brw n ASP 866 N 8.92 3.17 -3.83 1.61 8.00 -1.26 -4.95 116.55 128.20 2brw n ASP 866 Ca 0.00 -1.98 -0.14 0.00 0.71 0.00 0.00 54.79 53.38 2brw n ASP 866 Cb 0.00 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.06 2brw n ASP 866 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2brw n GLU 867 N 1.38 0.40 -3.40 -1.24 1.02 -0.48 -5.13 120.64 113.20 2brw n GLU 867 Ca 0.16 -1.95 -0.06 0.00 -0.02 0.00 0.00 57.16 55.28 2brw n GLU 867 Cb 0.59 -0.32 -0.07 0.00 -0.02 0.00 0.00 31.44 31.62 2brw n GLU 867 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2brw s TYR 868 N -1.74 -0.98 -0.20 -0.32 2.02 -1.26 -2.45 117.35 112.42 2brw s TYR 868 Ca 0.43 1.23 -0.27 0.00 -0.37 0.00 0.00 57.07 58.08 2brw s TYR 868 Cb -0.03 0.22 -0.00 0.00 -0.40 0.00 0.00 41.96 41.75 2brw s TYR 868 CO 0.28 -0.69 0.95 0.21 -1.57 0.00 0.00 175.55 174.73 2brw s LYS 869 N 2.63 4.28 -0.14 -0.62 2.20 0.22 -4.93 119.74 123.38 2brw s LYS 869 Ca 0.10 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 2brw s LYS 869 Cb -0.14 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 2brw s LYS 869 CO -0.16 -0.49 -0.15 0.42 -0.36 0.00 0.00 175.35 174.61 2brw s ILE 870 N 2.69 2.79 -0.33 5.43 1.01 -1.26 -2.22 121.20 129.31 2brw s ILE 870 Ca 0.42 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.34 2brw s ILE 870 Cb -0.16 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.22 2brw s ILE 870 CO 0.10 0.52 0.04 0.00 0.00 0.00 0.00 174.94 175.60 2brw s ALA 871 N 0.61 2.88 -0.05 9.38 0.00 -1.08 -5.02 121.76 128.47 2brw s ALA 871 Ca -0.08 -2.21 0.04 0.00 0.00 0.00 0.00 51.96 49.70 2brw s ALA 871 Cb -0.16 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 2brw s ALA 871 CO 0.03 -1.53 -0.16 -0.47 0.00 0.00 0.00 175.76 173.64 2brw s TYR 872 N 1.08 2.66 -0.10 0.00 5.04 -1.26 -1.65 117.35 123.12 2brw s TYR 872 Ca 0.03 -0.26 -0.05 0.00 -2.44 0.00 0.00 57.07 54.35 2brw s TYR 872 Cb -0.20 -1.63 0.05 0.00 0.35 0.00 0.00 41.96 40.52 2brw s TYR 872 CO -0.05 0.11 0.24 -0.47 -1.34 0.00 0.00 175.55 174.04 2brw s TYR 873 N -0.59 -0.32 -0.51 4.97 5.04 0.02 -4.34 117.35 121.63 2brw s TYR 873 Ca 0.09 0.76 -0.13 0.00 -2.44 0.00 0.00 57.07 55.35 2brw s TYR 873 Cb -0.11 0.04 0.12 0.00 0.35 0.00 0.00 41.96 42.36 2brw s TYR 873 CO 0.01 -0.23 0.43 1.21 -1.34 0.00 0.00 175.55 175.63 2brw s ASN 874 N 1.24 5.98 0.55 4.32 3.04 -0.63 -1.23 114.94 128.22 2brw s ASN 874 Ca -0.09 -1.80 0.27 0.00 0.04 0.00 0.00 52.86 51.27 2brw s ASN 874 Cb -0.10 -2.13 1.47 0.00 -1.54 0.00 0.00 41.25 38.95 2brw s ASN 874 CO -0.08 -0.77 2.00 1.55 -3.04 0.00 0.00 177.10 176.76 2brw h PRO 875 N 8.70 0.00 -0.14 0.43 0.13 -1.86 0.64 132.00 139.90 2brw h PRO 875 Ca -0.26 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.64 2brw h PRO 875 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.23 2brw h PRO 875 CO 0.95 0.00 -0.79 0.93 -0.23 0.00 0.00 178.00 178.86 2brw h GLU 876 N 0.00 0.76 0.00 0.86 5.08 -1.85 -3.25 114.58 116.18 2brw h GLU 876 Ca 0.21 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2brw h GLU 876 Cb 0.92 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2brw h GLU 876 CO -0.00 1.24 -1.01 0.25 -1.00 0.00 0.00 179.01 178.49 2brw n THR 877 N -3.92 0.07 -3.02 1.13 -2.24 -0.92 -4.97 114.28 100.40 2brw n THR 877 Ca -0.07 -0.14 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 2brw n THR 877 Cb 0.75 0.47 0.04 0.00 -2.10 0.00 0.00 70.33 69.49 2brw n THR 877 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2brw n GLN 878 N -1.75 -4.88 -4.12 -0.78 6.02 0.22 -4.99 117.38 107.09 2brw n GLN 878 Ca 0.03 0.91 -0.08 0.00 -0.01 0.00 0.00 57.00 57.85 2brw n GLN 878 Cb 0.39 -5.78 -0.10 0.00 1.02 0.00 0.00 30.24 25.78 2brw n GLN 878 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2brw s GLU 879 N -5.71 0.72 0.00 -1.09 2.02 -1.19 -4.96 118.70 108.49 2brw s GLU 879 Ca 0.30 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 54.00 2brw s GLU 879 Cb -0.13 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.23 2brw s GLU 879 CO 0.38 -0.13 0.00 0.45 0.02 0.00 0.00 175.26 175.98 2brw n SER 880 N 0.04 0.00 -3.64 -0.19 2.88 -1.26 -1.60 113.62 109.85 2brw n SER 880 Ca -0.12 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.41 2brw n SER 880 Cb 0.62 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.07 2brw n SER 880 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2brw s ALA 881 N -3.28 -2.03 0.44 -1.46 0.00 -1.26 -4.82 121.76 109.34 2brw s ALA 881 Ca 0.00 0.73 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 2brw s ALA 881 Cb 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 23.12 23.38 2brw s ALA 881 CO 0.00 -0.94 1.01 -2.14 0.00 0.00 0.00 175.76 173.69 2brw s PRO 882 N -2.69 4.04 0.18 0.00 0.02 -1.26 -4.90 135.00 130.38 2brw s PRO 882 Ca 0.12 1.34 -0.16 0.00 0.02 0.00 0.00 61.00 62.32 2brw s PRO 882 Cb 0.02 -2.26 0.13 0.00 0.02 0.00 0.00 34.50 32.41 2brw s PRO 882 CO -0.03 -0.22 1.65 -0.44 -0.33 0.00 0.00 177.00 177.63 2brw h ASP 883 N 1.97 -0.48 -1.09 2.53 3.32 -1.95 -1.77 116.42 118.94 2brw h ASP 883 Ca -0.49 0.14 0.30 0.00 0.02 0.00 0.00 57.03 57.00 2brw h ASP 883 Cb 1.21 0.31 -0.08 0.00 0.22 0.00 0.00 39.33 40.99 2brw h ASP 883 CO 0.61 -0.17 0.74 -0.61 -1.72 0.00 0.00 179.24 178.09 2brw h GLN 884 N -0.02 0.21 0.00 3.56 4.15 -1.93 0.36 115.11 121.44 2brw h GLN 884 Ca 0.22 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.49 2brw h GLN 884 Cb 0.36 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 2brw h GLN 884 CO -0.49 0.14 -0.68 1.49 -1.93 0.00 0.00 178.83 177.36 2brw h GLU 885 N 0.22 0.00 0.00 1.69 4.81 -1.70 -3.37 114.58 116.23 2brw h GLU 885 Ca 0.58 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 2brw h GLU 885 Cb 1.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.20 2brw h GLU 885 CO -0.18 0.68 -0.44 1.33 -0.73 0.00 0.00 179.01 179.67 2brw n VAL 886 N -3.53 0.00 -4.30 0.32 0.24 -0.56 -4.57 118.33 105.93 2brw n VAL 886 Ca -0.00 -0.29 -0.20 0.00 -2.04 0.00 0.00 64.34 61.81 2brw n VAL 886 Cb 0.72 0.78 -0.13 0.00 -1.47 0.00 0.00 33.84 33.74 2brw n VAL 886 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2brw s PHE 887 N -1.45 1.33 -0.15 6.34 5.36 0.12 -0.28 117.98 129.25 2brw s PHE 887 Ca 0.00 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.52 2brw s PHE 887 Cb 0.00 -0.77 0.07 0.00 -0.34 0.00 0.00 43.02 41.99 2brw s PHE 887 CO 0.01 0.07 0.27 0.21 -1.46 0.00 0.00 175.22 174.32 2brw s LYS 888 N -1.44 0.17 0.43 10.12 2.20 -0.37 -4.31 119.74 126.53 2brw s LYS 888 Ca 0.01 0.67 -0.25 0.00 -0.36 0.00 0.00 55.97 56.05 2brw s LYS 888 Cb -0.09 -0.20 -0.08 0.00 -1.51 0.00 0.00 37.83 35.95 2brw s LYS 888 CO 0.02 -0.35 1.23 0.21 -0.36 0.00 0.00 175.35 176.10 2brw s LYS 889 N 2.42 3.89 0.35 4.03 2.20 -1.26 -1.31 119.74 130.06 2brw s LYS 889 Ca 0.03 1.97 -0.09 0.00 -0.36 0.00 0.00 55.97 57.52 2brw s LYS 889 Cb -0.13 -2.62 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 2brw s LYS 889 CO -0.10 -0.50 0.69 -0.51 -0.36 0.00 0.00 175.35 174.57 2brw s LEU 890 N -2.66 3.94 0.00 5.43 1.43 -0.54 -4.88 118.68 121.40 2brw s LEU 890 Ca 0.59 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 2brw s LEU 890 Cb -0.34 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.03 2brw s LEU 890 CO 0.42 -0.30 0.00 -1.84 0.23 0.00 0.00 176.35 174.86