#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgi s ASN 253 N 0.00 6.44 0.00 0.26 -0.87 -1.26 -4.71 114.94 114.79 3mgi s ASN 253 Ca 0.00 0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 3mgi s ASN 253 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 3mgi s ASN 253 CO 0.00 -0.82 0.00 0.00 -2.57 0.00 0.00 177.10 173.71 3mgi n LEU 254 N 6.51 0.00 -2.20 0.60 -0.00 -1.26 -4.45 117.00 116.20 3mgi n LEU 254 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.01 3mgi n LEU 254 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.88 3mgi n LEU 254 CO 0.56 0.02 0.54 1.41 -0.00 0.00 0.00 177.39 179.92 3mgi n HIS 255 N 0.00 0.00 0.72 1.47 8.25 -1.26 -1.58 115.22 122.81 3mgi n HIS 255 Ca 0.00 -0.28 0.08 0.00 -0.26 0.00 0.00 57.72 57.26 3mgi n HIS 255 Cb 0.02 -0.52 -0.11 0.00 1.12 0.00 0.00 29.99 30.51 3mgi n HIS 255 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3mgi n ILE 256 N 2.51 0.00 0.00 1.59 -0.00 -1.26 -4.52 119.36 117.68 3mgi n ILE 256 Ca 0.06 -0.13 -0.05 0.00 -0.00 0.00 0.00 62.75 62.62 3mgi n ILE 256 Cb 0.16 0.88 0.15 0.00 -0.00 0.00 0.00 39.64 40.83 3mgi n ILE 256 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.55 177.26 3mgi h THR 257 N 0.00 1.29 -0.96 7.28 1.35 -1.69 -2.59 112.91 117.58 3mgi h THR 257 Ca 0.00 -1.45 0.20 0.00 -0.55 0.00 0.00 66.41 64.61 3mgi h THR 257 Cb 0.47 1.47 -0.11 0.00 -1.73 0.00 0.00 68.15 68.25 3mgi h THR 257 CO 0.00 0.46 0.55 -0.33 -0.25 0.00 0.00 175.52 175.95 3mgi h GLU 258 N 0.44 0.62 0.00 4.72 5.08 -1.83 1.19 114.58 124.80 3mgi h GLU 258 Ca 0.05 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 3mgi h GLU 258 Cb 0.81 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3mgi h GLU 258 CO 0.07 0.41 -0.73 1.57 -1.00 0.00 0.00 179.01 179.33 3mgi h LYS 259 N 0.64 0.00 0.14 2.33 2.10 -1.78 -3.18 116.57 116.82 3mgi h LYS 259 Ca 0.58 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.95 3mgi h LYS 259 Cb 0.98 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.32 3mgi h LYS 259 CO -0.43 0.73 -1.26 -0.07 -2.00 0.00 0.00 179.45 176.42 3mgi h LEU 260 N 0.00 0.52 -0.50 7.07 3.38 -0.39 -3.22 115.31 122.16 3mgi h LEU 260 Ca -0.01 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.53 3mgi h LEU 260 Cb 1.31 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.80 3mgi h LEU 260 CO 0.09 1.41 -0.11 -0.08 0.09 0.00 0.00 178.44 179.85 3mgi h GLU 261 N 0.10 0.01 -0.31 1.13 4.57 0.13 0.12 114.58 120.34 3mgi h GLU 261 Ca -0.15 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.08 3mgi h GLU 261 Cb 1.97 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.51 3mgi h GLU 261 CO 0.21 0.01 -0.01 0.28 -1.18 0.00 0.00 179.01 178.32 3mgi h VAL 262 N 0.01 0.76 0.22 0.32 2.07 -1.61 -0.91 116.25 117.11 3mgi h VAL 262 Ca 0.24 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 3mgi h VAL 262 Cb 0.37 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3mgi h VAL 262 CO -0.50 0.01 -0.15 -0.07 0.02 0.00 0.00 177.57 176.88 3mgi h LEU 263 N 0.08 -0.38 -0.74 2.57 3.38 -1.27 -1.72 115.31 117.23 3mgi h LEU 263 Ca 0.15 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3mgi h LEU 263 Cb 0.20 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3mgi h LEU 263 CO -0.26 -0.24 0.43 0.00 0.09 0.00 0.00 178.44 178.46 3mgi h ALA 264 N 0.39 1.00 -0.14 1.53 0.00 -0.78 -0.17 119.26 121.08 3mgi h ALA 264 Ca -0.02 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3mgi h ALA 264 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3mgi h ALA 264 CO 0.01 0.12 -0.19 -0.22 0.00 0.00 0.00 179.25 178.97 3mgi h LYS 265 N 0.78 0.24 -0.14 0.00 3.64 -1.02 -0.58 116.57 119.49 3mgi h LYS 265 Ca 0.33 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3mgi h LYS 265 Cb 0.20 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3mgi h LYS 265 CO -0.19 0.43 -0.32 0.00 -2.27 0.00 0.00 179.45 177.10 3mgi h ALA 266 N 1.59 0.23 -0.45 5.00 0.00 -0.32 -2.23 119.26 123.07 3mgi h ALA 266 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3mgi h ALA 266 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3mgi h ALA 266 CO 0.03 0.27 0.30 1.88 0.00 0.00 0.00 179.25 181.73 3mgi h TYR 267 N 0.07 0.53 0.27 0.00 0.05 -0.76 -2.25 116.97 114.89 3mgi h TYR 267 Ca -0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3mgi h TYR 267 Cb 0.92 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.49 3mgi h TYR 267 CO 0.10 0.33 -0.13 1.03 -1.05 0.00 0.00 178.16 178.44 3mgi h SER 268 N 0.57 -0.31 -0.02 3.88 0.87 -0.94 0.15 113.55 117.74 3mgi h SER 268 Ca 0.17 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3mgi h SER 268 Cb 0.01 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3mgi h SER 268 CO -0.04 0.14 0.00 -0.37 -0.53 0.00 0.00 176.83 176.03 3mgi h VAL 269 N -0.86 1.04 0.00 2.23 -1.51 -1.37 -0.50 116.25 115.28 3mgi h VAL 269 Ca -0.04 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3mgi h VAL 269 Cb 0.51 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 3mgi h VAL 269 CO 0.06 0.05 0.00 0.00 -1.23 0.00 0.00 177.57 176.45 3mgi n GLN 270 N -4.49 0.07 0.00 5.19 6.02 -0.85 -4.68 117.38 118.64 3mgi n GLN 270 Ca -0.02 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3mgi n GLN 270 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 3mgi n GLN 270 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mgi n GLY 271 N 0.97 0.33 3.05 1.08 0.00 -0.20 -4.99 105.19 105.43 3mgi n GLY 271 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3mgi n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mgi n ASP 272 N 0.00 3.20 -0.11 1.61 -0.08 0.02 -4.77 116.55 116.42 3mgi n ASP 272 Ca 0.00 -2.75 -0.08 0.00 -1.51 0.00 0.00 54.79 50.44 3mgi n ASP 272 Cb 0.00 -1.40 -0.02 0.00 2.34 0.00 0.00 41.12 42.04 3mgi n ASP 272 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3mgi h LYS 273 N 7.40 -0.27 -0.09 -0.67 3.64 -1.87 -1.56 116.57 123.15 3mgi h LYS 273 Ca 0.46 0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.62 3mgi h LYS 273 Cb 0.70 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3mgi h LYS 273 CO 1.83 -0.18 -0.87 -1.49 -2.27 0.00 0.00 179.45 176.48 3mgi h TRP 274 N -0.28 1.05 -0.30 1.91 -0.00 -1.96 -1.85 115.95 114.52 3mgi h TRP 274 Ca 0.16 -0.51 -0.02 0.00 -0.00 0.00 0.00 58.89 58.53 3mgi h TRP 274 Cb 0.55 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 3mgi h TRP 274 CO -0.54 1.34 0.11 -0.09 -0.00 0.00 0.00 178.44 179.25 3mgi h ARG 275 N 0.46 0.41 -0.14 0.49 2.43 -1.94 -1.08 114.38 115.02 3mgi h ARG 275 Ca -0.08 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.91 3mgi h ARG 275 Cb 1.51 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 3mgi h ARG 275 CO 0.18 0.36 -0.47 0.00 -1.51 0.00 0.00 179.97 178.52 3mgi h ALA 276 N 1.71 0.93 0.15 2.80 0.00 -1.03 -2.79 119.26 121.03 3mgi h ALA 276 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3mgi h ALA 276 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mgi h ALA 276 CO -0.01 0.65 -0.07 1.25 0.00 0.00 0.00 179.25 181.07 3mgi h LEU 277 N 0.28 -0.17 -0.69 0.00 5.85 -0.39 -1.80 115.31 118.39 3mgi h LEU 277 Ca 0.02 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.70 3mgi h LEU 277 Cb 0.94 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.89 3mgi h LEU 277 CO 0.08 0.06 -0.33 1.23 -0.34 0.00 0.00 178.44 179.15 3mgi h GLY 278 N -0.40 0.02 0.84 3.75 0.00 -1.17 -0.88 103.07 105.23 3mgi h GLY 278 Ca -0.02 0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.75 3mgi h GLY 278 CO 0.03 -0.22 -0.02 -0.97 0.00 0.00 0.00 176.54 175.36 3mgi h TYR 279 N -0.11 -0.05 -0.95 5.60 -1.99 -1.39 -2.45 116.97 115.63 3mgi h TYR 279 Ca 0.27 0.01 0.19 0.00 2.00 0.00 0.00 58.73 61.20 3mgi h TYR 279 Cb 0.56 0.03 -0.11 0.00 2.00 0.00 0.00 36.73 39.22 3mgi h TYR 279 CO -0.68 -0.04 0.54 0.00 -0.00 0.00 0.00 178.16 177.98 3mgi h ALA 280 N 1.07 1.55 0.50 3.88 0.00 -0.30 0.54 119.26 126.50 3mgi h ALA 280 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3mgi h ALA 280 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mgi h ALA 280 CO -0.08 -0.11 -0.24 0.87 0.00 0.00 0.00 179.25 179.69 3mgi h LYS 281 N 0.67 -0.65 -0.27 0.00 1.79 -0.83 -1.81 116.57 115.48 3mgi h LYS 281 Ca 0.55 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 59.05 3mgi h LYS 281 Cb 0.88 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 3mgi h LYS 281 CO -0.40 -0.40 0.11 0.00 -1.08 0.00 0.00 179.45 177.67 3mgi h ALA 282 N -0.26 0.35 -0.07 3.86 0.00 -0.81 -0.07 119.26 122.27 3mgi h ALA 282 Ca -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3mgi h ALA 282 Cb 0.54 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3mgi h ALA 282 CO 0.11 -0.06 0.09 0.82 0.00 0.00 0.00 179.25 180.22 3mgi h ILE 283 N 0.29 0.45 0.05 0.00 2.04 0.04 -0.43 117.51 119.94 3mgi h ILE 283 Ca 0.09 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 3mgi h ILE 283 Cb 0.18 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3mgi h ILE 283 CO -0.01 0.00 -0.51 -1.13 0.00 0.00 0.00 178.15 176.50 3mgi h ASN 284 N 0.00 0.17 -0.50 1.72 -1.24 -0.71 -3.30 115.58 111.72 3mgi h ASN 284 Ca 0.03 -0.92 0.10 0.00 0.71 0.00 0.00 56.30 56.23 3mgi h ASN 284 Cb 0.21 -0.05 -0.10 0.00 0.73 0.00 0.00 38.32 39.11 3mgi h ASN 284 CO -0.00 1.23 -0.16 0.00 -1.29 0.00 0.00 177.43 177.21 3mgi h ALA 285 N -0.04 0.27 0.00 1.57 0.00 0.19 0.11 119.26 121.37 3mgi h ALA 285 Ca -0.11 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3mgi h ALA 285 Cb 1.29 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3mgi h ALA 285 CO 0.02 -0.48 -0.03 -0.07 0.00 0.00 0.00 179.25 178.70 3mgi h LEU 286 N -0.04 0.00 0.00 0.00 3.38 -1.29 -0.17 115.31 117.19 3mgi h LEU 286 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3mgi h LEU 286 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3mgi h LEU 286 CO -0.53 0.03 -0.11 0.11 0.09 0.00 0.00 178.44 178.02 3mgi h LYS 287 N 0.00 0.00 -0.09 1.13 1.57 -1.07 -3.09 116.57 115.02 3mgi h LYS 287 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mgi h LYS 287 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3mgi h LYS 287 CO 0.00 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.31 3mgi n SER 288 N -2.34 2.93 -4.54 0.86 7.64 -0.11 -4.51 113.62 113.55 3mgi n SER 288 Ca 0.05 -1.95 -0.43 0.00 1.01 0.00 0.00 58.87 57.55 3mgi n SER 288 Cb 0.44 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 3mgi n SER 288 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3mgi s PHE 289 N -1.91 3.04 0.14 1.43 5.36 -0.97 -4.96 117.98 120.10 3mgi s PHE 289 Ca 0.31 0.10 -0.31 0.00 -0.96 0.00 0.00 56.93 56.07 3mgi s PHE 289 Cb 0.21 -3.48 -0.08 0.00 -0.34 0.00 0.00 43.02 39.33 3mgi s PHE 289 CO 0.31 -0.90 1.56 1.12 -1.46 0.00 0.00 175.22 175.84 3mgi h HIS 290 N 8.88 -1.53 -3.38 10.12 2.07 -1.89 -3.39 115.15 126.02 3mgi h HIS 290 Ca -0.25 0.07 -0.58 0.00 -2.85 0.00 0.00 60.37 56.76 3mgi h HIS 290 Cb 1.09 0.72 -0.08 0.00 2.57 0.00 0.00 27.41 31.70 3mgi h HIS 290 CO 0.76 -0.49 -0.02 0.21 -3.07 0.00 0.00 177.93 175.33 3mgi s LYS 291 N -5.73 4.29 0.15 5.12 2.20 -1.26 -4.48 119.74 120.04 3mgi s LYS 291 Ca -0.15 0.56 -0.34 0.00 -0.36 0.00 0.00 55.97 55.68 3mgi s LYS 291 Cb 0.09 -3.50 -0.16 0.00 -1.51 0.00 0.00 37.83 32.75 3mgi s LYS 291 CO 0.63 -0.02 1.18 -2.30 -0.36 0.00 0.00 175.35 174.48 3mgi n PRO 292 N 4.26 1.10 -1.98 4.03 -0.02 -1.26 -4.84 135.00 136.29 3mgi n PRO 292 Ca -0.04 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 3mgi n PRO 292 Cb 0.51 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3mgi n PRO 292 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mgi s VAL 293 N -0.07 3.25 -0.25 -1.45 1.01 -1.26 -4.92 120.40 116.71 3mgi s VAL 293 Ca 0.76 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.19 3mgi s VAL 293 Cb -0.89 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 3mgi s VAL 293 CO 0.51 -0.01 -0.32 0.41 0.00 0.00 0.00 175.10 175.69 3mgi n THR 294 N 4.90 1.52 -4.24 3.92 -1.04 -1.26 -5.04 114.28 113.03 3mgi n THR 294 Ca 0.16 -0.23 -0.24 0.00 -2.04 0.00 0.00 64.05 61.70 3mgi n THR 294 Cb 0.41 -2.01 -0.07 0.00 -1.82 0.00 0.00 70.33 66.85 3mgi n THR 294 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3mgi s SER 295 N -7.06 4.77 0.24 8.00 0.15 -1.26 -5.02 113.70 113.51 3mgi s SER 295 Ca -0.36 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 55.71 3mgi s SER 295 Cb 0.12 -0.98 0.28 0.00 -1.71 0.00 0.00 66.02 63.72 3mgi s SER 295 CO 0.48 0.02 1.89 0.22 1.20 0.00 0.00 173.24 177.04 3mgi h TYR 296 N 2.01 1.11 -0.26 3.44 3.20 -1.96 -2.09 116.97 122.42 3mgi h TYR 296 Ca -0.46 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.35 3mgi h TYR 296 Cb 1.24 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 3mgi h TYR 296 CO 0.65 0.65 -0.22 1.96 -1.64 0.00 0.00 178.16 179.56 3mgi h GLN 297 N 1.16 0.48 0.00 1.82 1.08 -1.99 -1.97 115.11 115.69 3mgi h GLN 297 Ca 0.36 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 3mgi h GLN 297 Cb -0.02 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 3mgi h GLN 297 CO -0.11 0.68 -0.20 1.49 -0.95 0.00 0.00 178.83 179.73 3mgi h GLU 298 N 0.43 0.00 0.61 1.46 4.81 -1.80 -2.33 114.58 117.76 3mgi h GLU 298 Ca 0.07 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3mgi h GLU 298 Cb 0.62 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3mgi h GLU 298 CO 0.04 0.20 -0.29 0.00 -0.73 0.00 0.00 179.01 178.23 3mgi h ALA 299 N 1.80 -0.82 -0.91 2.92 0.00 -0.78 -3.15 119.26 118.32 3mgi h ALA 299 Ca -0.00 -0.18 0.26 0.00 0.00 0.00 0.00 54.91 54.99 3mgi h ALA 299 Cb 0.42 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3mgi h ALA 299 CO 0.03 -0.76 0.68 0.00 0.00 0.00 0.00 179.25 179.19 3mgi h SER 301 N 0.00 0.00 -3.40 0.00 4.64 -1.37 -3.42 113.55 109.99 3mgi h SER 301 Ca 0.43 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.20 3mgi h SER 301 Cb 1.78 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.83 3mgi h SER 301 CO -0.00 0.10 0.14 -0.63 -0.87 0.00 0.00 176.83 175.57 3mgi s ILE 302 N -4.31 4.83 0.08 0.95 1.09 -0.10 -5.02 121.20 118.71 3mgi s ILE 302 Ca -0.03 1.58 -0.31 0.00 -1.10 0.00 0.00 60.65 60.79 3mgi s ILE 302 Cb 0.14 -4.09 -0.09 0.00 -1.06 0.00 0.00 42.46 37.36 3mgi s ILE 302 CO 0.59 0.33 1.70 -2.84 -0.10 0.00 0.00 174.94 174.62 3mgi s PRO 303 N 0.19 4.18 0.00 2.79 0.02 -1.26 -2.24 135.00 138.69 3mgi s PRO 303 Ca 0.38 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3mgi s PRO 303 Cb -0.20 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.70 3mgi s PRO 303 CO 0.22 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 3mgi n GLY 304 N 4.06 1.08 3.22 0.52 0.00 -1.26 -4.86 105.19 107.97 3mgi n GLY 304 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3mgi n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgi s ILE 305 N -2.11 2.57 0.00 -0.61 1.09 -0.95 -4.04 121.20 117.15 3mgi s ILE 305 Ca 0.00 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 3mgi s ILE 305 Cb 0.00 -2.10 0.00 0.00 -1.06 0.00 0.00 42.46 39.30 3mgi s ILE 305 CO 0.00 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 175.96 3mgi n GLY 306 N 4.35 4.84 0.05 6.18 0.00 -1.26 -4.39 105.19 114.96 3mgi n GLY 306 Ca -0.20 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 3mgi n GLY 306 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgi h LYS 307 N 0.00 -0.01 -0.50 1.61 1.57 -1.98 0.11 116.57 117.37 3mgi h LYS 307 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3mgi h LYS 307 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 3mgi h LYS 307 CO 0.00 0.30 -0.09 0.00 -0.57 0.00 0.00 179.45 179.08 3mgi h ARG 308 N -0.31 0.02 -0.36 3.15 2.47 -2.00 0.64 114.38 117.99 3mgi h ARG 308 Ca -0.00 -0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 3mgi h ARG 308 Cb 0.31 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 3mgi h ARG 308 CO 0.00 0.02 -0.33 1.98 0.56 0.00 0.00 179.97 182.20 3mgi h MET 309 N 0.03 0.86 -0.02 0.04 4.05 -1.94 -3.14 114.93 114.81 3mgi h MET 309 Ca 0.25 -0.44 0.03 0.00 -0.28 0.00 0.00 59.70 59.25 3mgi h MET 309 Cb 0.38 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 3mgi h MET 309 CO -0.50 1.09 -0.18 0.00 0.23 0.00 0.00 176.91 177.56 3mgi h ALA 310 N 0.76 -0.20 -0.95 0.39 0.00 -0.06 -0.88 119.26 118.33 3mgi h ALA 310 Ca 0.06 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.17 3mgi h ALA 310 Cb 0.91 0.32 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 3mgi h ALA 310 CO 0.08 -0.66 0.54 0.93 0.00 0.00 0.00 179.25 180.14 3mgi h GLU 311 N -0.28 0.66 -0.29 0.00 5.08 -0.91 0.13 114.58 118.97 3mgi h GLU 311 Ca 0.06 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3mgi h GLU 311 Cb 0.36 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3mgi h GLU 311 CO -0.18 0.44 -0.46 0.87 -1.00 0.00 0.00 179.01 178.68 3mgi h LYS 312 N 0.68 0.83 0.00 2.33 1.57 -1.37 -1.57 116.57 119.05 3mgi h LYS 312 Ca 0.55 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3mgi h LYS 312 Cb 0.86 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3mgi h LYS 312 CO -0.40 1.14 -0.09 0.82 -0.57 0.00 0.00 179.45 180.35 3mgi h ILE 313 N 0.60 0.72 -0.04 1.86 5.03 0.30 -2.22 117.51 123.76 3mgi h ILE 313 Ca 0.03 -0.36 -0.23 0.00 -0.12 0.00 0.00 64.86 64.18 3mgi h ILE 313 Cb 1.06 1.21 0.02 0.00 -3.03 0.00 0.00 36.82 36.08 3mgi h ILE 313 CO 0.11 0.09 -0.87 0.40 -0.68 0.00 0.00 178.15 177.19 3mgi h ILE 314 N 0.00 1.31 0.00 -0.67 5.03 -0.40 -3.05 117.51 119.72 3mgi h ILE 314 Ca -0.00 -2.12 -0.04 0.00 -0.12 0.00 0.00 64.86 62.58 3mgi h ILE 314 Cb 0.21 2.31 -0.01 0.00 -3.03 0.00 0.00 36.82 36.31 3mgi h ILE 314 CO 0.01 0.65 -0.17 -0.08 -0.68 0.00 0.00 178.15 177.88 3mgi h GLU 315 N 0.33 0.00 0.00 2.37 4.81 -0.71 -0.95 114.58 120.42 3mgi h GLU 315 Ca -0.10 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 3mgi h GLU 315 Cb 1.53 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 3mgi h GLU 315 CO 0.17 0.17 -0.62 0.82 -0.73 0.00 0.00 179.01 178.83 3mgi h ILE 316 N 0.00 1.16 0.07 2.32 5.03 -1.47 0.25 117.51 124.87 3mgi h ILE 316 Ca -0.00 -2.37 -0.00 0.00 -0.12 0.00 0.00 64.86 62.36 3mgi h ILE 316 Cb 0.32 2.39 0.00 0.00 -3.03 0.00 0.00 36.82 36.50 3mgi h ILE 316 CO 0.02 0.61 -0.03 -0.07 -0.68 0.00 0.00 178.15 178.00 3mgi h LEU 317 N 0.00 -0.08 -0.08 1.44 3.38 -1.26 -2.50 115.31 116.22 3mgi h LEU 317 Ca -0.01 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3mgi h LEU 317 Cb 1.34 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3mgi h LEU 317 CO 0.08 0.60 -0.18 -0.33 0.09 0.00 0.00 178.44 178.70 3mgi h GLU 318 N -0.96 0.26 0.00 1.13 5.08 -1.30 -3.35 114.58 115.43 3mgi h GLU 318 Ca -0.01 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3mgi h GLU 318 Cb 0.51 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3mgi h GLU 318 CO 0.02 0.78 -1.25 -1.13 -1.00 0.00 0.00 179.01 176.42 3mgi n SER 319 N -4.56 0.55 0.00 1.42 3.41 0.06 -4.95 113.62 109.55 3mgi n SER 319 Ca -0.08 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3mgi n SER 319 Cb 0.41 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 3mgi n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mgi n GLY 320 N 1.28 0.40 0.00 5.00 0.00 -0.94 -4.91 105.19 106.02 3mgi n GLY 320 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mgi n GLY 320 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3mgi n HIS 321 N -2.02 0.00 -3.35 1.61 -0.00 -1.26 -4.97 115.22 105.24 3mgi n HIS 321 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3mgi n HIS 321 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.93 3mgi n HIS 321 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3mgi s LEU 322 N 0.00 -0.62 0.31 0.27 2.96 -1.26 -3.64 118.68 116.70 3mgi s LEU 322 Ca 0.00 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3mgi s LEU 322 Cb 0.00 1.00 0.79 0.00 0.50 0.00 0.00 46.19 48.48 3mgi s LEU 322 CO 0.00 -0.33 1.75 0.08 -1.32 0.00 0.00 176.35 176.52 3mgi h ARG 323 N 8.19 0.62 -0.97 1.98 0.11 -1.99 -0.71 114.38 121.60 3mgi h ARG 323 Ca -0.15 -0.04 0.03 0.00 0.10 0.00 0.00 59.98 59.93 3mgi h ARG 323 Cb 1.13 -0.14 -0.06 0.00 1.11 0.00 0.00 29.97 32.02 3mgi h ARG 323 CO 0.28 0.41 0.64 -0.22 0.10 0.00 0.00 179.97 181.17 3mgi h LYS 324 N 0.63 1.21 -0.16 0.08 1.63 -1.97 -0.82 116.57 117.18 3mgi h LYS 324 Ca 0.60 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 60.37 3mgi h LYS 324 Cb 1.04 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 3mgi h LYS 324 CO -0.44 0.80 0.12 -0.07 -3.45 0.00 0.00 179.45 176.41 3mgi h LEU 325 N 1.25 0.00 -0.87 5.20 3.38 -1.50 -1.66 115.31 121.11 3mgi h LEU 325 Ca 0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 3mgi h LEU 325 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3mgi h LEU 325 CO -0.12 0.00 -0.29 0.44 0.09 0.00 0.00 178.44 178.57 3mgi h ASP 326 N 0.00 0.51 -0.88 -0.43 5.19 -1.16 -3.19 116.42 116.46 3mgi h ASP 326 Ca 0.08 -0.19 -0.51 0.00 -0.62 0.00 0.00 57.03 55.79 3mgi h ASP 326 Cb 0.31 -0.14 -0.28 0.00 0.18 0.00 0.00 39.33 39.40 3mgi h ASP 326 CO -0.00 0.78 0.51 1.41 -3.12 0.00 0.00 179.24 178.82 3mgi n HIS 327 N -4.10 2.77 -2.84 4.55 -0.00 -0.63 -4.95 115.22 110.03 3mgi n HIS 327 Ca -0.01 -2.17 -0.41 0.00 -0.00 0.00 0.00 57.72 55.14 3mgi n HIS 327 Cb 0.43 -0.98 -0.04 0.00 -0.00 0.00 0.00 29.99 29.40 3mgi n HIS 327 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3mgi s ILE 328 N -3.80 4.67 0.46 1.59 -1.09 -1.21 -5.01 121.20 116.81 3mgi s ILE 328 Ca 0.57 1.87 -0.25 0.00 -2.23 0.00 0.00 60.65 60.61 3mgi s ILE 328 Cb 0.47 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 37.04 3mgi s ILE 328 CO 0.05 0.31 1.44 -0.55 -1.23 0.00 0.00 174.94 174.96 3mgi s SER 329 N 0.17 5.81 0.00 3.58 0.15 -1.26 -4.87 113.70 117.28 3mgi s SER 329 Ca 0.44 2.95 0.10 0.00 0.70 0.00 0.00 55.95 60.14 3mgi s SER 329 Cb -0.22 -2.66 0.44 0.00 -1.71 0.00 0.00 66.02 61.88 3mgi s SER 329 CO 0.26 -1.23 1.30 -1.84 1.20 0.00 0.00 173.24 172.94 3mgi n GLU 330 N -0.26 0.02 0.18 5.44 0.28 -1.26 -2.21 120.64 122.83 3mgi n GLU 330 Ca 0.05 0.31 0.06 0.00 -0.16 0.00 0.00 57.16 57.42 3mgi n GLU 330 Cb 0.42 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.97 3mgi n GLU 330 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3mgi h SER 331 N 0.00 0.00 -0.08 -1.84 4.64 -2.01 -3.37 113.55 110.88 3mgi h SER 331 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3mgi h SER 331 Cb 0.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3mgi h SER 331 CO 0.00 0.35 -0.19 0.58 -0.87 0.00 0.00 176.83 176.70 3mgi h VAL 332 N 0.00 0.53 -0.84 0.95 2.07 -1.82 0.27 116.25 117.41 3mgi h VAL 332 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3mgi h VAL 332 Cb 1.13 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 3mgi h VAL 332 CO 0.05 0.00 0.50 -0.65 0.02 0.00 0.00 177.57 177.48 3mgi h PRO 333 N -0.26 0.82 -0.53 1.57 0.11 -1.82 0.27 132.00 132.16 3mgi h PRO 333 Ca 0.08 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3mgi h PRO 333 Cb 0.38 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3mgi h PRO 333 CO -0.23 0.54 -0.05 0.28 -0.21 0.00 0.00 178.00 178.33 3mgi h VAL 334 N 0.85 1.27 -0.67 3.15 2.07 -1.52 -0.69 116.25 120.71 3mgi h VAL 334 Ca 0.40 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 3mgi h VAL 334 Cb 0.33 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3mgi h VAL 334 CO -0.23 0.42 0.11 -0.07 0.02 0.00 0.00 177.57 177.82 3mgi h LEU 335 N 0.85 1.06 -0.87 2.57 3.38 0.40 -1.40 115.31 121.29 3mgi h LEU 335 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3mgi h LEU 335 Cb 0.60 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3mgi h LEU 335 CO 0.04 1.05 0.17 -0.08 0.09 0.00 0.00 178.44 179.71 3mgi h GLU 336 N 1.02 1.00 -0.23 1.13 4.81 -0.30 -0.36 114.58 121.66 3mgi h GLU 336 Ca 0.20 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3mgi h GLU 336 Cb 0.44 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3mgi h GLU 336 CO 0.01 0.88 0.09 1.25 -0.73 0.00 0.00 179.01 180.52 3mgi h LEU 337 N 0.96 0.31 -0.23 1.64 5.85 -0.69 -2.96 115.31 120.18 3mgi h LEU 337 Ca 0.21 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3mgi h LEU 337 Cb 0.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3mgi h LEU 337 CO -0.00 0.38 -0.15 -0.26 -0.34 0.00 0.00 178.44 178.07 3mgi h PHE 338 N 0.22 0.60 0.00 1.25 0.04 -1.09 -3.02 116.94 114.95 3mgi h PHE 338 Ca 0.08 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3mgi h PHE 338 Cb 0.17 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3mgi h PHE 338 CO -0.01 0.81 0.00 -1.13 -0.60 0.00 0.00 178.31 177.38 3mgi n SER 339 N -4.46 0.10 -1.18 2.17 3.41 -0.16 -1.16 113.62 112.34 3mgi n SER 339 Ca -0.04 -1.49 0.11 0.00 -0.26 0.00 0.00 58.87 57.18 3mgi n SER 339 Cb 0.37 -0.05 0.27 0.00 -0.26 0.00 0.00 64.21 64.54 3mgi n SER 339 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mgi n ASN 340 N -0.42 3.66 -4.68 4.04 3.02 -1.12 -4.74 115.26 115.02 3mgi n ASN 340 Ca 0.00 -1.99 -0.40 0.00 -0.03 0.00 0.00 54.58 52.16 3mgi n ASN 340 Cb 0.02 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 3mgi n ASN 340 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mgi s ILE 341 N -1.08 5.04 0.23 2.41 1.01 -0.31 -4.97 121.20 123.53 3mgi s ILE 341 Ca 0.42 1.21 -0.32 0.00 0.00 0.00 0.00 60.65 61.97 3mgi s ILE 341 Cb 0.22 -3.95 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 3mgi s ILE 341 CO 0.30 0.16 1.68 1.87 0.00 0.00 0.00 174.94 178.95 3mgi n TRP 342 N 4.69 2.74 -0.18 3.97 -0.00 -1.26 -0.53 117.44 126.87 3mgi n TRP 342 Ca -0.02 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 3mgi n TRP 342 Cb 0.50 -2.65 0.00 0.00 -0.00 0.00 0.00 31.31 29.16 3mgi n TRP 342 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3mgi n GLY 343 N 3.49 1.00 3.35 5.87 0.00 -1.26 -3.61 105.19 114.03 3mgi n GLY 343 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3mgi n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgi s ALA 344 N -2.59 2.53 0.00 4.61 0.00 0.31 -4.83 121.76 121.79 3mgi s ALA 344 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3mgi s ALA 344 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.02 3mgi s ALA 344 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3mgi n GLY 345 N 3.39 7.09 0.27 0.00 0.00 -1.26 -4.55 105.19 110.13 3mgi n GLY 345 Ca -0.18 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 43.87 3mgi n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgi h THR 346 N 0.07 1.18 0.09 2.61 1.03 -1.91 -0.45 112.91 115.53 3mgi h THR 346 Ca 0.00 -0.37 -0.00 0.00 -0.01 0.00 0.00 66.41 66.02 3mgi h THR 346 Cb 0.00 0.22 -0.00 0.00 -1.07 0.00 0.00 68.15 67.30 3mgi h THR 346 CO 0.00 0.18 -0.05 0.11 -0.01 0.00 0.00 175.52 175.76 3mgi h LYS 347 N 0.92 -0.13 -0.48 0.00 1.79 -1.97 -0.57 116.57 116.13 3mgi h LYS 347 Ca 0.24 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 3mgi h LYS 347 Cb -0.07 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3mgi h LYS 347 CO -0.05 -0.08 0.25 1.15 -1.08 0.00 0.00 179.45 179.63 3mgi h THR 348 N -0.13 1.18 -0.25 -0.16 2.02 -1.93 -2.41 112.91 111.22 3mgi h THR 348 Ca -0.01 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3mgi h THR 348 Cb 0.11 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3mgi h THR 348 CO 0.02 0.19 0.14 0.00 0.37 0.00 0.00 175.52 176.24 3mgi h ALA 349 N 1.09 0.31 -0.51 6.16 0.00 -0.86 -1.80 119.26 123.64 3mgi h ALA 349 Ca 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3mgi h ALA 349 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3mgi h ALA 349 CO -0.02 -0.25 0.15 1.96 0.00 0.00 0.00 179.25 181.08 3mgi h GLN 350 N 0.29 0.77 -0.22 0.00 4.20 -1.07 -1.70 115.11 117.38 3mgi h GLN 350 Ca 0.10 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3mgi h GLN 350 Cb 0.00 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3mgi h GLN 350 CO -0.05 0.68 0.02 1.98 -0.67 0.00 0.00 178.83 180.79 3mgi h MET 351 N 0.75 0.37 -0.93 1.46 4.05 -1.12 -0.39 114.93 119.12 3mgi h MET 351 Ca 0.17 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 3mgi h MET 351 Cb 0.24 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 3mgi h MET 351 CO -0.01 0.53 0.60 -1.49 0.23 0.00 0.00 176.91 176.78 3mgi h TRP 352 N 0.16 1.13 -0.50 1.39 6.55 -1.12 -0.42 115.95 123.13 3mgi h TRP 352 Ca 0.07 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.83 3mgi h TRP 352 Cb 0.35 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 28.26 3mgi h TRP 352 CO 0.03 0.63 -0.08 -0.92 -1.05 0.00 0.00 178.44 177.05 3mgi h TYR 353 N 1.15 1.05 0.00 0.49 5.03 -1.12 -1.47 116.97 122.10 3mgi h TYR 353 Ca 0.38 -0.21 -0.04 0.00 2.58 0.00 0.00 58.73 61.43 3mgi h TYR 353 Cb 0.05 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 3mgi h TYR 353 CO -0.01 1.00 -0.21 0.37 -1.32 0.00 0.00 178.16 177.98 3mgi h GLN 354 N 0.81 0.00 -0.00 1.82 -0.00 -0.50 -1.54 115.11 115.70 3mgi h GLN 354 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 3mgi h GLN 354 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.11 3mgi h GLN 354 CO 0.04 0.21 -0.03 1.04 0.00 0.00 0.00 178.83 180.10 3mgi n GLN 355 N -3.93 1.07 0.00 1.69 6.02 -0.22 -4.90 117.38 117.11 3mgi n GLN 355 Ca -0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 3mgi n GLN 355 Cb 0.30 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3mgi n GLN 355 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mgi n GLY 356 N 1.13 0.53 3.75 1.08 0.00 -0.58 -5.07 105.19 106.04 3mgi n GLY 356 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3mgi n GLY 356 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mgi s PHE 357 N -2.00 3.74 0.00 1.61 0.08 -0.59 -4.93 117.98 115.89 3mgi s PHE 357 Ca 0.00 1.77 0.00 0.00 0.12 0.00 0.00 56.93 58.82 3mgi s PHE 357 Cb 0.00 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 3mgi s PHE 357 CO 0.00 -0.16 0.00 0.54 -0.10 0.00 0.00 175.22 175.50 3mgi n ARG 358 N 1.57 3.32 -4.08 0.44 5.12 -1.26 -4.25 116.66 117.52 3mgi n ARG 358 Ca -0.01 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.82 3mgi n ARG 358 Cb 0.46 -0.50 -0.09 0.00 -1.16 0.00 0.00 32.46 31.17 3mgi n ARG 358 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3mgi s SER 359 N -0.61 0.28 0.44 0.55 1.04 -1.26 -4.90 113.70 109.24 3mgi s SER 359 Ca 0.00 -1.06 0.10 0.00 0.48 0.00 0.00 55.95 55.47 3mgi s SER 359 Cb 0.00 0.31 0.98 0.00 0.10 0.00 0.00 66.02 67.41 3mgi s SER 359 CO 0.00 -0.73 2.08 -0.07 0.98 0.00 0.00 173.24 175.50 3mgi h LEU 360 N 2.85 0.33 0.09 2.42 3.38 -1.99 -0.65 115.31 121.75 3mgi h LEU 360 Ca -0.34 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 3mgi h LEU 360 Cb 1.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3mgi h LEU 360 CO 0.58 0.24 -0.04 -0.08 0.09 0.00 0.00 178.44 179.23 3mgi h GLU 361 N 0.39 -0.11 -0.52 1.13 4.57 -1.99 0.17 114.58 118.22 3mgi h GLU 361 Ca 0.12 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.40 3mgi h GLU 361 Cb -0.01 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.53 3mgi h GLU 361 CO -0.03 -0.04 0.05 -0.44 -1.18 0.00 0.00 179.01 177.37 3mgi h ASP 362 N -0.15 -0.13 0.04 1.04 3.32 -1.68 -1.97 116.42 116.89 3mgi h ASP 362 Ca -0.01 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3mgi h ASP 362 Cb 0.12 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3mgi h ASP 362 CO 0.02 -0.04 -0.04 0.40 -1.72 0.00 0.00 179.24 177.87 3mgi h ILE 363 N 0.17 0.92 -0.99 0.35 1.08 -0.72 -0.97 117.51 117.34 3mgi h ILE 363 Ca 0.27 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.78 3mgi h ILE 363 Cb 0.39 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 35.00 3mgi h ILE 363 CO -0.40 0.00 0.64 -0.09 -0.69 0.00 0.00 178.15 177.61 3mgi h ARG 364 N -0.08 1.18 0.00 2.37 2.43 -0.23 -1.10 114.38 118.95 3mgi h ARG 364 Ca 0.00 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.89 3mgi h ARG 364 Cb 0.08 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 3mgi h ARG 364 CO -0.01 0.78 -1.68 -1.13 -1.51 0.00 0.00 179.97 176.42 3mgi n SER 365 N -4.47 0.63 0.00 -3.80 3.41 -0.78 -4.67 113.62 103.93 3mgi n SER 365 Ca 0.14 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 3mgi n SER 365 Cb 0.12 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3mgi n SER 365 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mgi n GLN 366 N -2.83 1.81 -2.61 4.33 6.02 -0.38 -5.07 117.38 118.65 3mgi n GLN 366 Ca -0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.52 3mgi n GLN 366 Cb 0.90 -0.87 -0.05 0.00 1.02 0.00 0.00 30.24 31.24 3mgi n GLN 366 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mgi s ALA 367 N -1.51 3.03 -0.37 -1.58 0.00 -0.42 -5.02 121.76 115.88 3mgi s ALA 367 Ca 0.00 0.33 -0.23 0.00 0.00 0.00 0.00 51.96 52.06 3mgi s ALA 367 Cb 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3mgi s ALA 367 CO 0.00 -0.07 0.76 0.45 0.00 0.00 0.00 175.76 176.90 3mgi s SER 368 N -2.53 6.52 -0.11 0.00 0.15 -1.26 -4.90 113.70 111.57 3mgi s SER 368 Ca 0.61 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 57.54 3mgi s SER 368 Cb -0.10 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3mgi s SER 368 CO 0.21 -0.72 -0.07 -0.76 1.20 0.00 0.00 173.24 173.10 3mgi s LEU 369 N 3.04 3.08 0.78 3.45 1.43 -1.26 -5.10 118.68 124.11 3mgi s LEU 369 Ca 0.30 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3mgi s LEU 369 Cb -0.13 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.45 3mgi s LEU 369 CO 0.17 0.25 1.08 0.42 0.23 0.00 0.00 176.35 178.51 3mgi s THR 370 N -0.16 3.35 0.23 5.49 -4.23 -1.26 -4.76 115.64 114.30 3mgi s THR 370 Ca 0.02 0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 3mgi s THR 370 Cb -0.13 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 70.95 3mgi s THR 370 CO 0.03 -0.57 1.60 0.74 -0.54 0.00 0.00 174.62 175.87 3mgi h THR 371 N -1.08 0.21 -0.36 3.99 2.02 -1.99 0.10 112.91 115.80 3mgi h THR 371 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3mgi h THR 371 Cb 1.24 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3mgi h THR 371 CO 0.55 0.00 0.21 1.56 0.37 0.00 0.00 175.52 178.21 3mgi h GLN 372 N -0.02 0.49 -0.61 6.66 4.20 -1.91 -2.57 115.11 121.36 3mgi h GLN 372 Ca 0.35 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 3mgi h GLN 372 Cb 0.56 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3mgi h GLN 372 CO -0.78 0.38 0.08 1.96 -0.67 0.00 0.00 178.83 179.80 3mgi h GLN 373 N 0.46 0.99 -0.96 1.46 4.20 -1.36 -0.85 115.11 119.05 3mgi h GLN 373 Ca 0.13 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.60 3mgi h GLN 373 Cb 0.02 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.63 3mgi h GLN 373 CO -0.02 0.92 0.63 0.00 -0.67 0.00 0.00 178.83 179.69 3mgi h ALA 374 N 1.15 1.25 -0.45 3.87 0.00 -0.86 0.10 119.26 124.32 3mgi h ALA 374 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3mgi h ALA 374 Cb 0.43 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3mgi h ALA 374 CO 0.01 0.56 -0.15 0.82 0.00 0.00 0.00 179.25 180.50 3mgi h ILE 375 N 1.26 1.26 0.22 0.00 2.04 -1.00 -2.23 117.51 119.07 3mgi h ILE 375 Ca 0.37 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3mgi h ILE 375 Cb -0.07 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3mgi h ILE 375 CO -0.10 0.43 -0.11 1.23 0.00 0.00 0.00 178.15 179.60 3mgi h GLY 376 N 0.96 -0.31 0.44 5.37 0.00 -0.28 -2.86 103.07 106.40 3mgi h GLY 376 Ca 0.12 0.12 0.12 0.00 0.00 0.00 0.00 47.33 47.68 3mgi h GLY 376 CO 0.05 -0.11 0.52 -2.00 0.00 0.00 0.00 176.54 175.00 3mgi h LEU 377 N -0.46 0.74 -2.46 3.11 5.85 -0.84 -0.32 115.31 120.92 3mgi h LEU 377 Ca -0.03 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3mgi h LEU 377 Cb 0.35 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3mgi h LEU 377 CO 0.05 0.39 -0.01 0.50 -0.34 0.00 0.00 178.44 179.03 3mgi h LYS 378 N 0.83 0.00 0.00 1.25 3.64 -1.21 -1.87 116.57 119.21 3mgi h LYS 378 Ca 0.45 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.78 3mgi h LYS 378 Cb 0.47 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 3mgi h LYS 378 CO -0.28 0.01 -0.57 0.72 -2.27 0.00 0.00 179.45 177.07 3mgi n HIS 379 N -3.17 0.00 -0.28 1.91 8.25 -0.52 -4.90 115.22 116.51 3mgi n HIS 379 Ca -0.02 -1.09 0.09 0.00 -0.26 0.00 0.00 57.72 56.44 3mgi n HIS 379 Cb 0.15 -0.20 0.24 0.00 1.12 0.00 0.00 29.99 31.30 3mgi n HIS 379 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3mgi h TYR 380 N 0.80 0.51 -0.07 4.41 3.20 -0.23 0.02 116.97 125.61 3mgi h TYR 380 Ca -0.06 0.04 -0.25 0.00 3.14 0.00 0.00 58.73 61.61 3mgi h TYR 380 Cb 1.25 -0.10 0.02 0.00 1.54 0.00 0.00 36.73 39.44 3mgi h TYR 380 CO 0.47 -0.03 -0.93 0.77 -1.64 0.00 0.00 178.16 176.81 3mgi h SER 381 N 0.38 0.91 -0.66 -2.11 0.02 -1.87 -3.28 113.55 106.94 3mgi h SER 381 Ca 0.48 -0.67 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 3mgi h SER 381 Cb 0.85 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 3mgi h SER 381 CO -0.50 1.47 0.10 0.44 -1.14 0.00 0.00 176.83 177.21 3mgi h ASP 382 N 0.45 1.05 0.64 3.07 3.32 -1.61 -2.90 116.42 120.44 3mgi h ASP 382 Ca -0.10 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3mgi h ASP 382 Cb 1.57 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3mgi h ASP 382 CO 0.18 1.05 0.00 0.49 -1.72 0.00 0.00 179.24 179.24 3mgi n PHE 383 N -4.23 0.61 0.77 4.55 3.72 -0.11 -1.53 117.46 121.24 3mgi n PHE 383 Ca 0.04 0.24 0.11 0.00 -0.05 0.00 0.00 57.45 57.80 3mgi n PHE 383 Cb 0.29 -0.89 0.08 0.00 -0.94 0.00 0.00 39.48 38.02 3mgi n PHE 383 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3mgi n LEU 384 N -2.06 0.64 -4.78 4.37 4.77 -1.10 -4.92 117.00 113.91 3mgi n LEU 384 Ca 0.02 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 3mgi n LEU 384 Cb 0.20 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3mgi n LEU 384 CO 0.18 0.10 0.38 -1.61 -1.33 0.00 0.00 177.39 175.10 3mgi s GLU 385 N -3.10 4.40 -0.03 3.23 0.41 -0.58 -5.06 118.70 117.95 3mgi s GLU 385 Ca 0.07 0.94 -0.16 0.00 -0.41 0.00 0.00 54.97 55.41 3mgi s GLU 385 Cb 0.16 -3.28 -0.05 0.00 -1.78 0.00 0.00 34.13 29.18 3mgi s GLU 385 CO 0.78 0.53 0.43 1.03 -0.49 0.00 0.00 175.26 177.54 3mgi s ARG 386 N -0.88 4.07 0.30 1.61 0.52 -1.26 -4.82 118.95 118.49 3mgi s ARG 386 Ca 0.33 0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 55.86 3mgi s ARG 386 Cb -0.21 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 31.90 3mgi s ARG 386 CO 0.22 0.52 0.65 0.00 0.02 0.00 0.00 175.30 176.71 3mgi s MET 387 N -0.54 3.85 0.33 3.54 0.23 0.08 -4.79 119.30 122.00 3mgi s MET 387 Ca 0.24 0.41 -0.29 0.00 -1.03 0.00 0.00 55.69 55.03 3mgi s MET 387 Cb -0.16 -2.53 -0.11 0.00 -1.53 0.00 0.00 34.83 30.50 3mgi s MET 387 CO 0.12 0.19 1.50 -1.25 -2.03 0.00 0.00 175.02 173.55 3mgi s PRO 388 N -3.12 4.16 0.38 3.16 0.04 -1.26 -0.78 135.00 137.58 3mgi s PRO 388 Ca 0.50 2.51 0.21 0.00 0.04 0.00 0.00 61.00 64.26 3mgi s PRO 388 Cb -0.11 -3.01 1.26 0.00 0.04 0.00 0.00 34.50 32.69 3mgi s PRO 388 CO 0.22 -0.51 1.64 -0.09 0.04 0.00 0.00 177.00 178.30 3mgi h ARG 389 N 3.84 0.17 0.00 4.56 2.43 -1.12 0.13 114.38 124.39 3mgi h ARG 389 Ca -0.49 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3mgi h ARG 389 Cb 1.23 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3mgi h ARG 389 CO 0.71 0.11 -0.11 0.93 -1.51 0.00 0.00 179.97 180.09 3mgi h GLU 390 N 0.17 0.00 0.13 0.20 3.07 -1.89 -1.86 114.58 114.39 3mgi h GLU 390 Ca 0.78 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 59.36 3mgi h GLU 390 Cb 2.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.02 3mgi h GLU 390 CO -0.57 0.11 -1.30 1.49 -1.40 0.00 0.00 179.01 177.34 3mgi h GLU 391 N 0.00 0.27 -0.72 2.33 4.81 -1.10 -3.09 114.58 117.07 3mgi h GLU 391 Ca -0.00 -0.46 0.06 0.00 -0.13 0.00 0.00 59.36 58.83 3mgi h GLU 391 Cb 0.54 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 3mgi h GLU 391 CO 0.01 1.20 0.48 0.00 -0.73 0.00 0.00 179.01 179.97 3mgi h ALA 392 N 0.56 1.69 0.41 2.92 0.00 -1.19 -1.98 119.26 121.67 3mgi h ALA 392 Ca -0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3mgi h ALA 392 Cb 1.98 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3mgi h ALA 392 CO 0.20 0.20 -0.20 1.15 0.00 0.00 0.00 179.25 180.60 3mgi h THR 393 N 0.77 0.60 -0.64 0.00 2.02 -1.39 -1.28 112.91 112.98 3mgi h THR 393 Ca 0.31 -0.16 0.12 0.00 0.77 0.00 0.00 66.41 67.46 3mgi h THR 393 Cb 0.23 0.68 -0.09 0.00 -1.74 0.00 0.00 68.15 67.23 3mgi h THR 393 CO -0.10 0.03 0.15 -0.33 0.37 0.00 0.00 175.52 175.64 3mgi h GLU 394 N -0.64 0.27 -0.47 6.66 5.08 -1.38 0.73 114.58 124.83 3mgi h GLU 394 Ca -0.06 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3mgi h GLU 394 Cb 0.47 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3mgi h GLU 394 CO 0.09 0.18 0.28 0.82 -1.00 0.00 0.00 179.01 179.38 3mgi h ILE 395 N 0.28 1.04 0.24 3.13 2.04 -1.15 0.14 117.51 123.24 3mgi h ILE 395 Ca 0.34 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 3mgi h ILE 395 Cb 0.53 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3mgi h ILE 395 CO -0.42 0.10 -0.17 -0.08 0.00 0.00 0.00 178.15 177.57 3mgi h GLU 396 N 0.55 -0.40 -0.56 2.37 4.22 -0.02 -1.96 114.58 118.78 3mgi h GLU 396 Ca 0.19 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.74 3mgi h GLU 396 Cb 0.02 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3mgi h GLU 396 CO -0.09 -0.27 0.38 1.96 -2.18 0.00 0.00 179.01 178.81 3mgi h GLN 397 N -0.41 0.43 -0.39 1.92 1.08 -0.46 0.23 115.11 117.51 3mgi h GLN 397 Ca -0.02 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 3mgi h GLN 397 Cb 0.36 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 3mgi h GLN 397 CO 0.00 0.28 0.10 1.15 -0.95 0.00 0.00 178.83 179.41 3mgi h THR 398 N 0.44 1.23 0.19 -0.54 2.02 -0.27 0.13 112.91 116.10 3mgi h THR 398 Ca 0.25 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3mgi h THR 398 Cb 0.42 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3mgi h THR 398 CO -0.07 0.27 -0.09 0.58 0.37 0.00 0.00 175.52 176.58 3mgi h VAL 399 N 0.49 0.90 -0.58 3.16 2.07 -0.44 -2.65 116.25 119.19 3mgi h VAL 399 Ca 0.12 -0.89 0.12 0.00 0.82 0.00 0.00 66.70 66.87 3mgi h VAL 399 Cb 0.30 1.39 -0.10 0.00 -1.52 0.00 0.00 31.29 31.36 3mgi h VAL 399 CO 0.00 0.19 -0.05 -0.61 0.02 0.00 0.00 177.57 177.12 3mgi h GLN 400 N -0.72 0.07 -0.95 1.57 4.15 -0.60 0.17 115.11 118.80 3mgi h GLN 400 Ca -0.03 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.41 3mgi h GLN 400 Cb 0.50 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 3mgi h GLN 400 CO 0.04 0.05 0.63 -0.22 -1.93 0.00 0.00 178.83 177.39 3mgi h LYS 401 N 0.07 1.21 -0.02 1.69 3.64 -1.00 0.18 116.57 122.34 3mgi h LYS 401 Ca 0.30 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 3mgi h LYS 401 Cb 0.47 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3mgi h LYS 401 CO -0.54 0.80 -0.70 0.00 -2.27 0.00 0.00 179.45 176.74 3mgi h ALA 402 N 1.37 0.79 -0.04 5.00 0.00 -0.77 -2.06 119.26 123.56 3mgi h ALA 402 Ca 0.36 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3mgi h ALA 402 Cb -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3mgi h ALA 402 CO -0.10 0.83 -0.33 0.00 0.00 0.00 0.00 179.25 179.65 3mgi h ALA 403 N 1.21 0.09 0.00 0.00 0.00 -0.19 -3.22 119.26 117.15 3mgi h ALA 403 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3mgi h ALA 403 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mgi h ALA 403 CO 0.10 0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.56 3mgi n GLN 404 N -4.43 0.12 0.37 0.00 6.02 0.60 -3.09 117.38 116.97 3mgi n GLN 404 Ca -0.09 0.33 -0.19 0.00 -0.01 0.00 0.00 57.00 57.05 3mgi n GLN 404 Cb 0.52 -1.72 -0.09 0.00 1.02 0.00 0.00 30.24 29.97 3mgi n GLN 404 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mgi h ALA 405 N 2.39 -1.11 -0.50 -1.58 0.00 -1.37 -2.56 119.26 114.53 3mgi h ALA 405 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mgi h ALA 405 Cb 0.35 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3mgi h ALA 405 CO 0.00 -1.15 0.00 1.97 0.00 0.00 0.00 179.25 180.07 3mgi n PHE 406 N -5.57 1.54 -2.82 0.00 1.16 -1.22 -4.64 117.46 105.91 3mgi n PHE 406 Ca -0.13 -0.56 0.02 0.00 -1.87 0.00 0.00 57.45 54.91 3mgi n PHE 406 Cb 0.46 -0.35 0.01 0.00 -1.61 0.00 0.00 39.48 37.98 3mgi n PHE 406 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 3mgi s ASN 407 N -0.71 -0.29 0.66 5.98 3.84 -1.12 -5.02 114.94 118.27 3mgi s ASN 407 Ca 0.44 -0.12 0.42 0.00 0.21 0.00 0.00 52.86 53.81 3mgi s ASN 407 Cb 0.32 0.52 2.30 0.00 -0.55 0.00 0.00 41.25 43.83 3mgi s ASN 407 CO 0.16 -0.04 2.32 0.77 -2.79 0.00 0.00 177.10 177.53 3mgi h SER 408 N 5.70 0.00 0.99 -4.21 4.64 -1.72 -1.72 113.55 117.22 3mgi h SER 408 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3mgi h SER 408 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3mgi h SER 408 CO -0.09 0.00 -0.05 1.23 -0.87 0.00 0.00 176.83 177.05 3mgi h GLY 409 N 0.00 0.00 -1.64 -0.77 0.00 -1.94 -3.46 103.07 95.26 3mgi h GLY 409 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3mgi h GLY 409 CO -0.00 0.00 0.35 1.08 0.00 0.00 0.00 176.54 177.97 3mgi s LEU 410 N -6.34 3.19 -0.14 3.11 1.43 -0.65 -4.60 118.68 114.67 3mgi s LEU 410 Ca 0.01 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 3mgi s LEU 410 Cb 0.09 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.75 3mgi s LEU 410 CO 0.56 -2.51 -0.13 -0.22 0.23 0.00 0.00 176.35 174.29 3mgi s LEU 411 N -5.55 1.59 -0.07 1.79 2.96 -0.72 -4.93 118.68 113.75 3mgi s LEU 411 Ca 0.73 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 3mgi s LEU 411 Cb -0.28 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 3mgi s LEU 411 CO 0.49 -0.06 -0.23 0.00 -1.32 0.00 0.00 176.35 175.23 3mgi s VAL 413 N 0.09 0.20 -0.18 0.00 1.01 -0.15 -4.99 120.40 116.38 3mgi s VAL 413 Ca -0.10 0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 3mgi s VAL 413 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 3mgi s VAL 413 CO 0.05 0.16 0.92 0.00 0.00 0.00 0.00 175.10 176.24 3mgi s ALA 414 N 1.11 3.55 0.00 5.51 0.00 -1.26 -0.13 121.76 130.54 3mgi s ALA 414 Ca -0.08 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3mgi s ALA 414 Cb -0.13 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3mgi s ALA 414 CO -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 175.76 174.97 3mgi n GLY 416 N 5.00 0.89 0.43 0.00 0.00 0.08 -1.93 105.19 109.65 3mgi n GLY 416 Ca 0.00 -0.65 0.25 0.00 0.00 0.00 0.00 46.02 45.62 3mgi n GLY 416 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mgi h SER 417 N 3.17 0.01 0.48 1.61 4.64 -1.89 -2.10 113.55 119.48 3mgi h SER 417 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3mgi h SER 417 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mgi h SER 417 CO 0.00 0.00 -0.23 0.22 -0.87 0.00 0.00 176.83 175.95 3mgi h TYR 418 N 0.01 -0.59 0.00 4.77 3.20 -1.76 -1.29 116.97 121.30 3mgi h TYR 418 Ca 0.35 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 3mgi h TYR 418 Cb 1.38 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.85 3mgi h TYR 418 CO -0.00 -0.34 -0.14 -0.09 -1.64 0.00 0.00 178.16 175.95 3mgi h ARG 419 N -0.70 0.00 0.00 1.82 2.43 -0.71 0.25 114.38 117.47 3mgi h ARG 419 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3mgi h ARG 419 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3mgi h ARG 419 CO 0.11 0.14 0.00 0.54 -1.51 0.00 0.00 179.97 179.24 3mgi n ARG 420 N -4.22 0.82 -3.15 0.20 1.74 -0.98 -4.50 116.66 106.56 3mgi n ARG 420 Ca -0.02 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.87 3mgi n ARG 420 Cb 0.21 -1.16 0.05 0.00 -1.02 0.00 0.00 32.46 30.54 3mgi n ARG 420 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgi n GLY 421 N 0.42 -0.22 3.84 -0.13 0.00 0.87 -4.19 105.19 105.78 3mgi n GLY 421 Ca 0.06 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3mgi n GLY 421 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mgi s LYS 422 N -5.79 4.04 0.17 1.61 2.47 -0.52 -4.98 119.74 116.73 3mgi s LYS 422 Ca 0.37 0.81 -0.10 0.00 -1.56 0.00 0.00 55.97 55.48 3mgi s LYS 422 Cb -0.16 -2.32 0.04 0.00 -1.46 0.00 0.00 37.83 33.93 3mgi s LYS 422 CO 0.46 0.03 1.60 0.00 0.16 0.00 0.00 175.35 177.60 3mgi h ALA 423 N 1.88 0.74 -2.15 3.13 0.00 -1.94 -3.44 119.26 117.48 3mgi h ALA 423 Ca -0.48 -0.33 -0.55 0.00 0.00 0.00 0.00 54.91 53.55 3mgi h ALA 423 Cb 1.18 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 3mgi h ALA 423 CO 0.63 0.62 -0.73 0.95 0.00 0.00 0.00 179.25 180.73 3mgi s THR 424 N -4.93 2.12 -0.04 0.00 -4.23 -1.26 -0.58 115.64 106.73 3mgi s THR 424 Ca -0.12 -2.28 0.01 0.00 -1.18 0.00 0.00 61.69 58.12 3mgi s THR 424 Cb 0.13 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.68 3mgi s THR 424 CO 0.85 -0.41 -0.04 0.00 -0.54 0.00 0.00 174.62 174.48 3mgi h GLY 426 N 6.99 -0.86 -0.63 0.00 0.00 -1.87 0.27 103.07 106.96 3mgi h GLY 426 Ca -0.38 0.32 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 3mgi h GLY 426 CO 0.48 -0.31 -0.20 2.09 0.00 0.00 0.00 176.54 178.60 3mgi n ASP 427 N -5.44 0.36 -4.32 0.19 3.85 -1.26 -4.62 116.55 105.30 3mgi n ASP 427 Ca -0.13 -1.94 -0.35 0.00 -0.71 0.00 0.00 54.79 51.67 3mgi n ASP 427 Cb 0.34 0.59 -0.14 0.00 -1.35 0.00 0.00 41.12 40.56 3mgi n ASP 427 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3mgi s VAL 428 N -2.40 3.31 -0.52 2.12 1.01 -0.93 -4.88 120.40 118.11 3mgi s VAL 428 Ca 0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3mgi s VAL 428 Cb 0.01 -2.48 0.13 0.00 0.00 0.00 0.00 36.38 34.04 3mgi s VAL 428 CO 0.09 0.45 0.39 -1.81 0.00 0.00 0.00 175.10 174.22 3mgi s ASP 429 N 1.23 5.72 -0.34 3.32 1.01 -1.26 -1.11 116.67 125.23 3mgi s ASP 429 Ca 0.03 -2.13 -0.12 0.00 0.71 0.00 0.00 52.55 51.04 3mgi s ASP 429 Cb -0.14 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 3mgi s ASP 429 CO -0.02 -0.63 0.23 -0.69 0.21 0.00 0.00 175.17 174.27 3mgi s VAL 430 N 1.04 5.12 -0.15 -1.27 1.01 0.64 0.61 120.40 127.40 3mgi s VAL 430 Ca 0.09 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 3mgi s VAL 430 Cb -0.24 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3mgi s VAL 430 CO -0.02 -0.04 0.23 -0.22 0.00 0.00 0.00 175.10 175.05 3mgi s LEU 431 N 1.69 4.28 0.00 3.92 2.96 0.82 -2.13 118.68 130.22 3mgi s LEU 431 Ca 0.05 0.47 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 3mgi s LEU 431 Cb -0.18 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 3mgi s LEU 431 CO 0.09 0.20 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.54 3mgi s ILE 432 N 0.02 1.22 0.09 6.68 1.01 -0.21 -0.98 121.20 129.03 3mgi s ILE 432 Ca 0.15 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3mgi s ILE 432 Cb -0.13 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3mgi s ILE 432 CO 0.03 0.26 0.16 1.07 0.00 0.00 0.00 174.94 176.46 3mgi n THR 433 N 2.46 0.00 -3.69 2.92 5.66 -0.87 -1.33 114.28 119.44 3mgi n THR 433 Ca -0.15 -0.36 -0.11 0.00 -3.05 0.00 0.00 64.05 60.38 3mgi n THR 433 Cb 0.55 0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 69.47 3mgi n THR 433 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 3mgi s HIS 434 N -5.79 -0.55 0.52 1.09 2.46 -1.26 -1.76 115.29 109.99 3mgi s HIS 434 Ca 0.06 1.17 0.26 0.00 0.47 0.00 0.00 55.06 57.02 3mgi s HIS 434 Cb -0.01 0.18 1.37 0.00 -0.13 0.00 0.00 32.58 34.00 3mgi s HIS 434 CO 0.04 -0.35 1.96 -1.35 -2.47 0.00 0.00 174.74 172.58 3mgi h PRO 435 N 7.50 0.05 0.02 2.88 0.11 -1.97 0.33 132.00 140.91 3mgi h PRO 435 Ca -0.31 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.83 3mgi h PRO 435 Cb 1.15 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3mgi h PRO 435 CO 0.26 0.03 -0.22 0.22 -0.21 0.00 0.00 178.00 178.08 3mgi h ASP 436 N 0.05 -0.64 0.00 -2.05 3.58 -1.95 -3.47 116.42 111.93 3mgi h ASP 436 Ca 0.31 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3mgi h ASP 436 Cb 1.16 0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.48 3mgi h ASP 436 CO -0.02 -0.29 0.00 0.61 -2.88 0.00 0.00 179.24 176.66 3mgi n GLY 437 N -1.35 0.78 0.00 -0.78 0.00 0.11 -4.86 105.19 99.10 3mgi n GLY 437 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3mgi n GLY 437 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3mgi n ARG 438 N -1.83 1.58 0.13 1.61 1.85 -1.26 -4.71 116.66 114.03 3mgi n ARG 438 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 3mgi n ARG 438 Cb 0.16 -0.13 0.42 0.00 -1.05 0.00 0.00 32.46 31.85 3mgi n ARG 438 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 3mgi h SER 439 N 0.00 0.00 0.20 2.89 0.02 -1.89 -2.80 113.55 111.97 3mgi h SER 439 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mgi h SER 439 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3mgi h SER 439 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3mgi n HIS 440 N -2.38 0.00 -1.83 3.45 1.44 -1.26 -4.51 115.22 110.13 3mgi n HIS 440 Ca 0.04 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.43 3mgi n HIS 440 Cb 0.39 -0.26 -0.04 0.00 0.12 0.00 0.00 29.99 30.19 3mgi n HIS 440 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3mgi s ARG 441 N -2.53 2.30 0.00 -1.40 0.52 -1.06 -3.72 118.95 113.06 3mgi s ARG 441 Ca 0.11 0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.99 3mgi s ARG 441 Cb 0.08 -4.63 0.00 0.00 0.52 0.00 0.00 34.95 30.92 3mgi s ARG 441 CO 0.17 -3.27 0.00 0.41 0.02 0.00 0.00 175.30 172.64 3mgi n GLY 442 N 6.16 0.72 0.32 -3.53 0.00 -1.26 -4.79 105.19 102.81 3mgi n GLY 442 Ca 0.33 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.53 3mgi n GLY 442 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3mgi h ILE 443 N 0.00 0.26 -0.67 -0.61 3.07 -1.79 -2.88 117.51 114.90 3mgi h ILE 443 Ca 0.00 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.47 3mgi h ILE 443 Cb 0.00 0.97 -0.09 0.00 -0.27 0.00 0.00 36.82 37.43 3mgi h ILE 443 CO 0.00 0.00 -0.47 0.15 -1.05 0.00 0.00 178.15 176.78 3mgi h PHE 444 N 0.00 -1.51 -0.27 0.16 3.57 -1.87 -2.19 116.94 114.84 3mgi h PHE 444 Ca 0.01 0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.66 3mgi h PHE 444 Cb 0.08 0.74 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 3mgi h PHE 444 CO 0.00 -0.33 -0.37 1.03 -2.23 0.00 0.00 178.31 176.40 3mgi h SER 445 N -0.10 -1.20 -0.81 0.41 0.87 -1.90 -1.77 113.55 109.04 3mgi h SER 445 Ca 0.11 0.18 0.15 0.00 -1.23 0.00 0.00 61.79 61.00 3mgi h SER 445 Cb 0.38 0.52 -0.06 0.00 -0.44 0.00 0.00 62.40 62.81 3mgi h SER 445 CO -0.68 -0.37 0.53 0.03 -0.53 0.00 0.00 176.83 175.81 3mgi h ARG 446 N -0.37 0.51 -0.16 2.24 3.08 -1.59 -1.69 114.38 116.39 3mgi h ARG 446 Ca 0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3mgi h ARG 446 Cb 0.58 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3mgi h ARG 446 CO -0.47 0.34 -0.12 1.25 -1.07 0.00 0.00 179.97 179.90 3mgi h LEU 447 N 0.52 0.39 -0.02 3.04 5.85 -0.74 -2.46 115.31 121.88 3mgi h LEU 447 Ca 0.40 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3mgi h LEU 447 Cb 0.81 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 3mgi h LEU 447 CO -0.15 0.75 0.01 -0.07 -0.34 0.00 0.00 178.44 178.64 3mgi h LEU 448 N 0.02 0.03 -0.64 2.25 3.38 -0.88 -1.75 115.31 117.72 3mgi h LEU 448 Ca 0.03 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.01 3mgi h LEU 448 Cb 0.62 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3mgi h LEU 448 CO 0.03 0.10 0.28 -0.78 0.09 0.00 0.00 178.44 178.16 3mgi h ASP 449 N -0.04 0.34 -0.29 -0.43 3.58 -1.39 -0.81 116.42 117.38 3mgi h ASP 449 Ca 0.01 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.54 3mgi h ASP 449 Cb 0.07 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3mgi h ASP 449 CO -0.00 0.20 0.15 -1.28 -2.88 0.00 0.00 179.24 175.43 3mgi h SER 450 N 0.50 0.23 0.52 2.28 0.87 -1.16 -1.87 113.55 114.92 3mgi h SER 450 Ca 0.32 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.83 3mgi h SER 450 Cb 0.35 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3mgi h SER 450 CO -0.28 0.17 -0.27 -0.07 -0.53 0.00 0.00 176.83 175.85 3mgi h LEU 451 N 0.31 0.00 -0.42 2.23 3.38 -0.56 -2.15 115.31 118.10 3mgi h LEU 451 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3mgi h LEU 451 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3mgi h LEU 451 CO -0.07 0.27 -0.25 0.03 0.09 0.00 0.00 178.44 178.51 3mgi h ARG 452 N 0.00 0.91 0.15 1.13 3.08 -0.76 -1.42 114.38 117.47 3mgi h ARG 452 Ca -0.00 -0.42 0.02 0.00 0.07 0.00 0.00 59.98 59.65 3mgi h ARG 452 Cb 0.61 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3mgi h ARG 452 CO 0.04 1.07 -0.45 0.37 -1.07 0.00 0.00 179.97 179.93 3mgi h GLN 453 N 0.74 -0.68 0.00 0.04 4.15 -0.67 -0.02 115.11 118.67 3mgi h GLN 453 Ca 0.09 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3mgi h GLN 453 Cb 0.82 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.67 3mgi h GLN 453 CO 0.07 -0.45 0.00 -0.85 -1.93 0.00 0.00 178.83 175.67 3mgi n GLU 454 N -5.48 0.31 -1.08 1.69 0.28 -1.15 -4.80 120.64 110.40 3mgi n GLU 454 Ca -0.08 0.06 -0.03 0.00 -0.16 0.00 0.00 57.16 56.95 3mgi n GLU 454 Cb 0.39 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.75 3mgi n GLU 454 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mgi n GLY 455 N -0.25 0.60 0.13 -1.84 0.00 -0.02 -4.94 105.19 98.88 3mgi n GLY 455 Ca 0.08 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 3mgi n GLY 455 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mgi h PHE 456 N 0.00 0.44 -3.27 1.61 3.57 -1.47 -3.42 116.94 114.40 3mgi h PHE 456 Ca -0.06 -0.18 -0.58 0.00 3.53 0.00 0.00 57.97 60.68 3mgi h PHE 456 Cb 0.23 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 3mgi h PHE 456 CO 0.11 0.90 0.47 -0.51 -2.23 0.00 0.00 178.31 177.05 3mgi s LEU 457 N -8.76 4.15 -0.18 0.59 1.43 -0.92 -1.22 118.68 113.78 3mgi s LEU 457 Ca -0.14 1.21 0.10 0.00 -1.03 0.00 0.00 54.13 54.26 3mgi s LEU 457 Cb 0.04 -3.29 -0.23 0.00 0.03 0.00 0.00 46.19 42.74 3mgi s LEU 457 CO 0.77 -0.46 0.14 0.35 0.23 0.00 0.00 176.35 177.38 3mgi n THR 458 N 4.89 1.51 -3.73 5.49 -2.24 0.22 -4.67 114.28 115.76 3mgi n THR 458 Ca 0.06 -0.75 -0.14 0.00 -2.27 0.00 0.00 64.05 60.96 3mgi n THR 458 Cb 0.48 -0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 67.64 3mgi n THR 458 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3mgi s ASP 459 N -6.06 -0.34 -0.14 3.42 1.11 -1.12 -4.99 116.67 108.55 3mgi s ASP 459 Ca -0.17 0.49 -0.05 0.00 0.18 0.00 0.00 52.55 53.00 3mgi s ASP 459 Cb 0.07 0.58 -0.04 0.00 1.07 0.00 0.00 42.92 44.61 3mgi s ASP 459 CO 0.76 -0.31 0.05 -1.81 1.18 0.00 0.00 175.17 175.04 3mgi s ASP 460 N -0.57 5.63 -0.15 0.27 1.01 -1.26 -0.65 116.67 120.95 3mgi s ASP 460 Ca -0.07 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.37 3mgi s ASP 460 Cb -0.04 -1.82 -0.10 0.00 1.01 0.00 0.00 42.92 41.98 3mgi s ASP 460 CO 0.03 0.29 -0.14 0.18 0.21 0.00 0.00 175.17 175.74 3mgi n LEU 461 N 2.76 2.81 -3.78 1.23 4.77 -0.21 -4.91 117.00 119.67 3mgi n LEU 461 Ca -0.18 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.61 3mgi n LEU 461 Cb 0.53 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 3mgi n LEU 461 CO 0.32 0.71 -0.27 -0.69 -1.33 0.00 0.00 177.39 176.13 3mgi s VAL 462 N -2.30 -0.04 -0.36 4.08 1.01 -0.50 -4.90 120.40 117.40 3mgi s VAL 462 Ca -0.20 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 3mgi s VAL 462 Cb 0.06 -0.17 0.12 0.00 0.00 0.00 0.00 36.38 36.39 3mgi s VAL 462 CO 0.34 0.06 0.18 -0.54 0.00 0.00 0.00 175.10 175.14 3mgi s LYS 463 N 0.86 0.71 0.54 2.72 1.02 -1.26 -1.47 119.74 122.87 3mgi s LYS 463 Ca -0.07 -1.33 0.08 0.00 0.02 0.00 0.00 55.97 54.67 3mgi s LYS 463 Cb -0.09 -1.68 0.05 0.00 -0.52 0.00 0.00 37.83 35.59 3mgi s LYS 463 CO -0.04 -1.13 0.57 0.20 -0.92 0.00 0.00 175.35 174.04 3mgi s GLY 464 N 1.15 2.06 0.26 -3.33 0.00 0.23 -5.02 107.32 102.67 3mgi s GLY 464 Ca 0.15 -1.72 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 3mgi s GLY 464 CO -0.10 -1.79 1.88 0.83 0.00 0.00 0.00 173.10 173.93 3mgi h GLU 470 N 0.53 1.15 0.00 2.90 5.08 -2.01 -3.30 114.58 118.93 3mgi h GLU 470 Ca -0.34 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3mgi h GLU 470 Cb 1.29 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3mgi h GLU 470 CO 0.50 0.76 0.00 0.25 -1.00 0.00 0.00 179.01 179.51 3mgi n THR 471 N -4.50 0.00 -4.66 1.13 -2.24 -1.26 -4.90 114.28 97.85 3mgi n THR 471 Ca 0.15 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 3mgi n THR 471 Cb 0.18 1.16 -0.16 0.00 -2.10 0.00 0.00 70.33 69.41 3mgi n THR 471 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3mgi s LYS 472 N -0.25 1.63 -0.09 -0.78 2.20 -1.24 -0.55 119.74 120.66 3mgi s LYS 472 Ca 0.00 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 3mgi s LYS 472 Cb 0.00 -1.39 0.02 0.00 -1.51 0.00 0.00 37.83 34.95 3mgi s LYS 472 CO 0.00 0.12 -0.09 -0.47 -0.36 0.00 0.00 175.35 174.56 3mgi s TYR 473 N 0.34 1.38 -0.18 4.03 5.04 0.24 -0.60 117.35 127.60 3mgi s TYR 473 Ca -0.09 -0.60 -0.02 0.00 -2.44 0.00 0.00 57.07 53.93 3mgi s TYR 473 Cb -0.13 -1.10 -0.01 0.00 0.35 0.00 0.00 41.96 41.07 3mgi s TYR 473 CO 0.03 -0.39 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.25 3mgi s LEU 474 N 1.23 2.73 0.00 6.97 1.43 -0.54 -0.28 118.68 130.22 3mgi s LEU 474 Ca -0.04 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3mgi s LEU 474 Cb -0.14 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3mgi s LEU 474 CO -0.03 0.05 0.21 0.61 0.23 0.00 0.00 176.35 177.43 3mgi n GLY 475 N 4.31 2.35 3.07 -3.19 0.00 0.43 -1.05 105.19 111.11 3mgi n GLY 475 Ca -0.19 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 3mgi n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgi s VAL 476 N -2.61 1.46 0.38 1.61 1.01 0.18 -0.14 120.40 122.29 3mgi s VAL 476 Ca 0.09 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.48 3mgi s VAL 476 Cb -0.01 -1.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.98 3mgi s VAL 476 CO 0.06 0.43 0.03 0.00 0.00 0.00 0.00 175.10 175.62 3mgi s ARG 478 N -3.78 0.54 0.50 0.00 3.52 -0.35 -0.60 118.95 118.78 3mgi s ARG 478 Ca 0.34 1.04 -0.20 0.00 -0.13 0.00 0.00 55.73 56.78 3mgi s ARG 478 Cb 0.09 0.11 -0.07 0.00 -1.56 0.00 0.00 34.95 33.52 3mgi s ARG 478 CO 0.16 -0.16 1.09 -0.51 -0.81 0.00 0.00 175.30 175.07 3mgi s LEU 479 N 1.64 3.84 0.88 -0.88 1.43 -1.26 -4.62 118.68 119.70 3mgi s LEU 479 Ca -0.09 2.07 -0.10 0.00 -1.03 0.00 0.00 54.13 54.97 3mgi s LEU 479 Cb -0.07 -4.52 0.12 0.00 0.03 0.00 0.00 46.19 41.75 3mgi s LEU 479 CO -0.16 -0.96 1.11 -2.16 0.23 0.00 0.00 176.35 174.41 3mgi s PRO 480 N -3.17 1.37 0.00 1.29 0.04 -1.26 -4.81 135.00 128.46 3mgi s PRO 480 Ca 0.69 1.30 0.00 0.00 0.04 0.00 0.00 61.00 63.03 3mgi s PRO 480 Cb -0.21 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3mgi s PRO 480 CO 0.24 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.39 3mgi n GLY 481 N -0.39 0.91 3.82 0.56 0.00 -1.26 -4.92 105.19 103.89 3mgi n GLY 481 Ca 0.10 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 3mgi n GLY 481 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mgi s PRO 482 N -1.46 2.07 -1.92 1.61 0.02 -1.26 -4.14 135.00 129.93 3mgi s PRO 482 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 61.00 61.57 3mgi s PRO 482 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3mgi s PRO 482 CO 0.00 -1.61 0.00 0.41 -0.33 0.00 0.00 177.00 175.47 3mgi n GLY 483 N -2.29 0.63 3.63 0.52 0.00 -1.26 -4.98 105.19 101.44 3mgi n GLY 483 Ca 0.07 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3mgi n GLY 483 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgi s ARG 484 N -4.42 3.92 0.39 1.61 1.81 -1.26 -5.11 118.95 115.89 3mgi s ARG 484 Ca 0.00 -0.36 0.05 0.00 -1.72 0.00 0.00 55.73 53.70 3mgi s ARG 484 Cb 0.00 -3.17 -0.00 0.00 -0.45 0.00 0.00 34.95 31.33 3mgi s ARG 484 CO 0.00 0.29 0.55 1.03 -0.68 0.00 0.00 175.30 176.50 3mgi s ARG 485 N 0.30 3.01 0.08 3.54 1.81 -1.26 -5.01 118.95 121.42 3mgi s ARG 485 Ca 0.03 -0.93 -0.30 0.00 -1.72 0.00 0.00 55.73 52.81 3mgi s ARG 485 Cb -0.12 -2.73 -0.05 0.00 -0.45 0.00 0.00 34.95 31.59 3mgi s ARG 485 CO 0.00 -0.12 0.96 -1.01 -0.68 0.00 0.00 175.30 174.45 3mgi s HIS 486 N -2.33 3.77 0.03 -0.53 3.76 -1.26 -4.64 115.29 114.10 3mgi s HIS 486 Ca 0.48 1.76 0.09 0.00 -0.15 0.00 0.00 55.06 57.24 3mgi s HIS 486 Cb -0.10 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.51 3mgi s HIS 486 CO 0.33 0.16 -0.25 1.03 -0.85 0.00 0.00 174.74 175.16 3mgi s ARG 487 N 0.25 1.92 0.08 1.40 1.81 0.23 -4.66 118.95 119.98 3mgi s ARG 487 Ca 0.48 -1.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.14 3mgi s ARG 487 Cb -0.23 -2.04 -0.06 0.00 -0.45 0.00 0.00 34.95 32.18 3mgi s ARG 487 CO 0.29 0.53 1.17 1.03 -0.68 0.00 0.00 175.30 177.64 3mgi s ARG 488 N -1.14 4.46 -0.09 3.54 0.52 -1.26 -0.61 118.95 124.37 3mgi s ARG 488 Ca 0.12 1.75 0.03 0.00 -0.52 0.00 0.00 55.73 57.10 3mgi s ARG 488 Cb -0.10 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.04 3mgi s ARG 488 CO 0.02 -0.20 -0.18 -1.17 0.02 0.00 0.00 175.30 173.79 3mgi s LEU 489 N 0.82 1.85 -0.13 2.53 2.96 0.80 -2.18 118.68 125.34 3mgi s LEU 489 Ca 0.57 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3mgi s LEU 489 Cb -0.29 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.27 3mgi s LEU 489 CO 0.30 0.08 -0.21 -1.81 -1.32 0.00 0.00 176.35 173.39 3mgi s ASP 490 N 0.63 3.25 -0.06 3.68 1.11 -0.27 -0.43 116.67 124.57 3mgi s ASP 490 Ca -0.14 -0.55 0.02 0.00 0.18 0.00 0.00 52.55 52.06 3mgi s ASP 490 Cb -0.16 -1.46 0.01 0.00 1.07 0.00 0.00 42.92 42.38 3mgi s ASP 490 CO 0.04 0.11 -0.11 -0.63 1.18 0.00 0.00 175.17 175.76 3mgi s ILE 491 N 0.64 1.04 0.04 0.77 1.01 0.61 -0.26 121.20 125.05 3mgi s ILE 491 Ca -0.11 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.21 3mgi s ILE 491 Cb -0.16 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3mgi s ILE 491 CO 0.02 0.34 -0.24 0.27 0.00 0.00 0.00 174.94 175.33 3mgi s ILE 492 N 0.74 1.95 -0.12 2.92 -4.36 -0.90 0.80 121.20 122.23 3mgi s ILE 492 Ca -0.13 -1.29 0.00 0.00 -0.26 0.00 0.00 60.65 58.97 3mgi s ILE 492 Cb -0.15 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.87 3mgi s ILE 492 CO 0.03 0.32 -0.13 -0.69 0.24 0.00 0.00 174.94 174.71 3mgi s VAL 493 N -0.78 3.11 0.06 8.37 1.01 0.29 -1.05 120.40 131.40 3mgi s VAL 493 Ca 0.10 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3mgi s VAL 493 Cb -0.09 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3mgi s VAL 493 CO 0.02 0.53 -0.09 0.68 0.00 0.00 0.00 175.10 176.24 3mgi s VAL 494 N 0.18 0.70 0.41 2.92 -7.23 -0.44 -4.73 120.40 112.21 3mgi s VAL 494 Ca -0.07 -1.26 -0.26 0.00 -1.81 0.00 0.00 61.98 58.57 3mgi s VAL 494 Cb -0.15 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 3mgi s VAL 494 CO 0.05 -0.42 1.38 -2.84 -0.31 0.00 0.00 175.10 172.96 3mgi s PRO 495 N -1.95 3.91 0.55 4.82 0.02 -1.26 -4.34 135.00 136.75 3mgi s PRO 495 Ca -0.05 2.34 0.24 0.00 0.02 0.00 0.00 61.00 63.55 3mgi s PRO 495 Cb -0.08 -2.77 1.47 0.00 0.02 0.00 0.00 34.50 33.14 3mgi s PRO 495 CO 0.00 -0.61 2.08 -0.92 -0.33 0.00 0.00 177.00 177.23 3mgi h TYR 496 N 2.64 0.00 0.00 6.54 3.20 -1.84 -0.57 116.97 126.94 3mgi h TYR 496 Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 3mgi h TYR 496 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 3mgi h TYR 496 CO 0.52 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.70 3mgi h SER 497 N 0.00 0.00 -0.34 -2.11 4.64 -1.91 -2.36 113.55 111.47 3mgi h SER 497 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3mgi h SER 497 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3mgi h SER 497 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3mgi n GLU 498 N -2.73 2.38 0.09 4.77 1.02 -0.23 -4.77 120.64 121.18 3mgi n GLU 498 Ca 0.01 -2.00 -0.14 0.00 -0.02 0.00 0.00 57.16 55.01 3mgi n GLU 498 Cb 0.23 -1.33 -0.07 0.00 -0.02 0.00 0.00 31.44 30.25 3mgi n GLU 498 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3mgi h PHE 499 N 2.66 -1.18 -0.47 -0.32 3.57 -1.39 -0.57 116.94 119.25 3mgi h PHE 499 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.63 3mgi h PHE 499 Cb 0.75 0.51 -0.08 0.00 2.79 0.00 0.00 35.95 39.91 3mgi h PHE 499 CO 0.22 -0.51 -0.04 0.00 -2.23 0.00 0.00 178.31 175.75 3mgi h ALA 500 N -0.12 0.40 -0.31 2.41 0.00 -1.79 0.15 119.26 120.00 3mgi h ALA 500 Ca 0.03 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3mgi h ALA 500 Cb 0.67 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mgi h ALA 500 CO -0.27 -0.41 -0.12 0.00 0.00 0.00 0.00 179.25 178.45 3mgi h ALA 502 N 0.77 0.53 -0.26 0.00 0.00 -0.67 0.20 119.26 119.83 3mgi h ALA 502 Ca 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3mgi h ALA 502 Cb 0.63 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3mgi h ALA 502 CO 0.04 -0.29 0.16 1.25 0.00 0.00 0.00 179.25 180.41 3mgi h LEU 503 N 0.26 0.31 -0.56 0.00 5.85 -0.42 0.16 115.31 120.91 3mgi h LEU 503 Ca 0.23 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3mgi h LEU 503 Cb 0.28 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3mgi h LEU 503 CO -0.28 0.26 0.29 0.25 -0.34 0.00 0.00 178.44 178.63 3mgi h LEU 504 N 0.33 0.71 0.45 2.25 5.85 -0.53 -1.82 115.31 122.56 3mgi h LEU 504 Ca 0.09 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3mgi h LEU 504 Cb 0.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3mgi h LEU 504 CO -0.02 0.61 -0.22 0.22 -0.34 0.00 0.00 178.44 178.70 3mgi h TYR 505 N 0.75 -0.57 0.00 1.25 3.20 -0.33 -2.97 116.97 118.31 3mgi h TYR 505 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3mgi h TYR 505 Cb 0.07 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3mgi h TYR 505 CO -0.01 -0.25 0.00 0.34 -1.64 0.00 0.00 178.16 176.60 3mgi n PHE 506 N -5.26 0.12 -0.01 -3.82 -0.00 0.53 -2.31 117.46 106.71 3mgi n PHE 506 Ca -0.11 0.05 -0.18 0.00 -0.00 0.00 0.00 57.45 57.21 3mgi n PHE 506 Cb 0.30 -0.58 -0.14 0.00 -0.00 0.00 0.00 39.48 39.06 3mgi n PHE 506 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3mgi n THR 507 N -1.61 1.73 -4.29 -2.13 -1.04 -0.69 -0.75 114.28 105.51 3mgi n THR 507 Ca 0.03 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 3mgi n THR 507 Cb 0.14 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 3mgi n THR 507 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mgi n GLY 508 N 1.90 -0.25 3.68 3.41 0.00 -0.98 -3.82 105.19 109.14 3mgi n GLY 508 Ca -0.29 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 3mgi n GLY 508 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mgi s SER 509 N -4.00 1.64 0.13 1.61 1.04 -1.04 -4.77 113.70 108.31 3mgi s SER 509 Ca 0.00 0.59 -0.20 0.00 0.48 0.00 0.00 55.95 56.82 3mgi s SER 509 Cb 0.00 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 3mgi s SER 509 CO 0.00 -3.68 1.72 0.00 0.98 0.00 0.00 173.24 172.27 3mgi h ALA 510 N -2.28 0.17 0.00 5.32 0.00 -1.90 -0.16 119.26 120.41 3mgi h ALA 510 Ca -0.46 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3mgi h ALA 510 Cb 1.28 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3mgi h ALA 510 CO 0.38 -0.43 -0.27 0.45 0.00 0.00 0.00 179.25 179.37 3mgi h HIS 511 N 0.07 0.00 -0.11 0.00 3.86 -1.97 -1.59 115.15 115.41 3mgi h HIS 511 Ca 0.09 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3mgi h HIS 511 Cb 0.11 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 3mgi h HIS 511 CO -0.17 0.27 -0.00 0.35 0.86 0.00 0.00 177.93 179.24 3mgi h PHE 512 N 0.00 0.21 -0.20 2.45 3.04 -1.58 -1.82 116.94 119.04 3mgi h PHE 512 Ca -0.00 -0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.93 3mgi h PHE 512 Cb 0.51 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 3mgi h PHE 512 CO 0.00 0.44 0.08 -0.91 -2.02 0.00 0.00 178.31 175.90 3mgi h ASN 513 N -0.09 0.11 -0.87 0.41 2.35 -0.64 0.10 115.58 116.96 3mgi h ASN 513 Ca 0.03 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3mgi h ASN 513 Cb 0.36 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 3mgi h ASN 513 CO 0.01 0.09 0.57 0.03 -1.65 0.00 0.00 177.43 176.48 3mgi h ARG 514 N 0.19 1.07 -0.14 0.81 3.08 -1.32 0.16 114.38 118.23 3mgi h ARG 514 Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3mgi h ARG 514 Cb 0.04 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3mgi h ARG 514 CO -0.07 0.71 -0.01 1.03 -1.07 0.00 0.00 179.97 180.56 3mgi h SER 515 N 1.10 0.25 -0.37 7.04 0.87 -0.78 -1.08 113.55 120.59 3mgi h SER 515 Ca 0.34 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3mgi h SER 515 Cb -0.01 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3mgi h SER 515 CO -0.09 0.52 0.07 -0.03 -0.53 0.00 0.00 176.83 176.77 3mgi h MET 516 N -0.02 0.68 -0.01 2.24 1.85 -0.30 -1.52 114.93 117.86 3mgi h MET 516 Ca 0.04 -0.14 -0.17 0.00 -0.61 0.00 0.00 59.70 58.82 3mgi h MET 516 Cb 0.39 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 3mgi h MET 516 CO 0.01 0.65 -0.78 0.00 -0.40 0.00 0.00 176.91 176.39 3mgi h ARG 517 N 0.66 0.08 -0.26 0.39 3.08 -0.60 -1.84 114.38 115.88 3mgi h ARG 517 Ca 0.14 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 3mgi h ARG 517 Cb 0.30 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3mgi h ARG 517 CO 0.00 0.82 -0.50 0.00 -1.07 0.00 0.00 179.97 179.23 3mgi h ALA 518 N 1.15 0.63 -0.30 0.04 0.00 -0.85 -2.25 119.26 117.68 3mgi h ALA 518 Ca -0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3mgi h ALA 518 Cb 1.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3mgi h ALA 518 CO 0.11 0.68 0.13 1.25 0.00 0.00 0.00 179.25 181.42 3mgi h LEU 519 N 0.57 0.40 -1.08 0.00 5.85 -1.18 -2.40 115.31 117.48 3mgi h LEU 519 Ca 0.03 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.69 3mgi h LEU 519 Cb 1.06 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 3mgi h LEU 519 CO 0.10 0.44 0.62 0.00 -0.34 0.00 0.00 178.44 179.26 3mgi h ALA 520 N 0.98 1.51 -0.50 1.25 0.00 -1.23 -2.35 119.26 118.92 3mgi h ALA 520 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mgi h ALA 520 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3mgi h ALA 520 CO -0.01 0.31 0.18 -0.22 0.00 0.00 0.00 179.25 179.51 3mgi h LYS 521 N 1.04 0.77 -0.32 0.00 3.64 -1.01 0.21 116.57 120.91 3mgi h LYS 521 Ca 0.44 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 3mgi h LYS 521 Cb 0.31 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3mgi h LYS 521 CO -0.19 0.70 0.22 1.79 -2.27 0.00 0.00 179.45 179.70 3mgi h THR 522 N 0.68 0.92 -0.36 1.00 1.35 -0.94 0.40 112.91 115.96 3mgi h THR 522 Ca 0.16 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3mgi h THR 522 Cb 0.24 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3mgi h THR 522 CO -0.01 0.03 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 3mgi n LYS 523 N -4.47 2.66 -1.99 4.72 5.02 -0.86 -4.88 118.16 118.35 3mgi n LYS 523 Ca 0.04 -1.65 -0.17 0.00 -2.02 0.00 0.00 58.31 54.51 3mgi n LYS 523 Cb 0.29 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 3mgi n LYS 523 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mgi n GLY 524 N 0.70 0.49 3.80 0.72 0.00 0.13 -4.92 105.19 106.11 3mgi n GLY 524 Ca 0.15 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3mgi n GLY 524 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mgi s MET 525 N -4.29 2.23 -0.09 1.61 -1.94 0.70 -2.34 119.30 115.17 3mgi s MET 525 Ca 0.00 -2.04 -0.07 0.00 -1.71 0.00 0.00 55.69 51.87 3mgi s MET 525 Cb 0.00 -1.91 0.03 0.00 2.01 0.00 0.00 34.83 34.96 3mgi s MET 525 CO 0.00 -0.35 0.22 0.45 -0.01 0.00 0.00 175.02 175.34 3mgi s SER 526 N -4.03 -0.23 -0.10 3.03 0.15 -0.27 -3.23 113.70 109.02 3mgi s SER 526 Ca 0.30 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.43 3mgi s SER 526 Cb 0.01 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.77 3mgi s SER 526 CO 0.17 -0.10 -0.14 -0.22 1.20 0.00 0.00 173.24 174.15 3mgi s LEU 527 N 0.46 1.67 0.00 3.45 2.96 -1.26 0.48 118.68 126.44 3mgi s LEU 527 Ca -0.03 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3mgi s LEU 527 Cb -0.04 -1.02 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 3mgi s LEU 527 CO -0.02 0.01 0.14 -1.54 -1.32 0.00 0.00 176.35 173.62 3mgi n SER 528 N 4.16 0.48 0.00 3.68 3.41 -0.73 -4.91 113.62 119.70 3mgi n SER 528 Ca -0.19 -2.48 0.08 0.00 -0.26 0.00 0.00 58.87 56.02 3mgi n SER 528 Cb 0.51 0.88 0.38 0.00 -0.26 0.00 0.00 64.21 65.72 3mgi n SER 528 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3mgi n GLU 529 N -0.55 0.07 -0.03 4.33 0.00 -1.26 -3.32 120.64 119.88 3mgi n GLU 529 Ca -0.00 0.18 -0.21 0.00 0.00 0.00 0.00 57.16 57.13 3mgi n GLU 529 Cb 0.41 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.22 3mgi n GLU 529 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3mgi n HIS 530 N -1.44 0.95 -3.59 -1.84 8.25 -1.26 -2.28 115.22 114.01 3mgi n HIS 530 Ca 0.05 0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.68 3mgi n HIS 530 Cb 0.18 -1.12 -0.02 0.00 1.12 0.00 0.00 29.99 30.15 3mgi n HIS 530 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mgi s ALA 531 N -2.54 -1.98 -0.27 -1.41 0.00 -1.21 -4.56 121.76 109.79 3mgi s ALA 531 Ca -0.26 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 3mgi s ALA 531 Cb 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 3mgi s ALA 531 CO 0.71 -0.73 0.17 -1.17 0.00 0.00 0.00 175.76 174.74 3mgi s LEU 532 N -2.46 3.92 0.23 0.00 2.96 -1.26 -1.78 118.68 120.29 3mgi s LEU 532 Ca 0.09 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 3mgi s LEU 532 Cb -0.00 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3mgi s LEU 532 CO -0.05 -0.04 0.05 -0.44 -1.32 0.00 0.00 176.35 174.54 3mgi s SER 533 N 1.70 4.86 0.31 3.68 0.01 0.18 -0.20 113.70 124.24 3mgi s SER 533 Ca 0.07 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.89 3mgi s SER 533 Cb -0.16 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 3mgi s SER 533 CO 0.09 0.02 0.17 0.28 0.41 0.00 0.00 173.24 174.21 3mgi s THR 534 N -2.09 0.30 -1.59 1.44 -1.32 -0.06 -1.12 115.64 111.20 3mgi s THR 534 Ca 0.31 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.76 3mgi s THR 534 Cb -0.08 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.42 3mgi s THR 534 CO 0.21 0.00 0.26 0.00 -2.21 0.00 0.00 174.62 172.88 3mgi n ALA 535 N -0.60 -0.80 -2.62 11.08 0.00 -1.23 -0.68 120.51 125.65 3mgi n ALA 535 Ca 0.01 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 3mgi n ALA 535 Cb 0.65 -2.79 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 3mgi n ALA 535 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mgi s VAL 536 N -3.04 4.51 -0.09 0.00 1.01 -0.99 -3.68 120.40 118.13 3mgi s VAL 536 Ca 0.14 1.43 -0.24 0.00 0.00 0.00 0.00 61.98 63.31 3mgi s VAL 536 Cb -0.06 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3mgi s VAL 536 CO 0.17 -0.56 0.74 -0.69 0.00 0.00 0.00 175.10 174.77 3mgi s VAL 537 N 3.65 5.00 0.09 2.92 1.01 -0.57 -4.79 120.40 127.70 3mgi s VAL 537 Ca 0.42 1.51 0.07 0.00 0.00 0.00 0.00 61.98 63.98 3mgi s VAL 537 Cb -0.12 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3mgi s VAL 537 CO 0.19 0.19 -0.18 -0.13 0.00 0.00 0.00 175.10 175.16 3mgi s ARG 538 N 1.19 1.00 0.00 2.72 0.52 -1.26 0.10 118.95 123.22 3mgi s ARG 538 Ca 0.38 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3mgi s ARG 538 Cb -0.18 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.15 3mgi s ARG 538 CO 0.17 0.26 0.00 0.27 0.02 0.00 0.00 175.30 176.02 3mgi n ASN 539 N 1.21 0.00 0.23 0.23 6.94 -0.78 -4.89 115.26 118.20 3mgi n ASN 539 Ca -0.20 -0.60 0.10 0.00 -0.02 0.00 0.00 54.58 53.85 3mgi n ASN 539 Cb 0.54 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 38.51 3mgi n ASN 539 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3mgi h THR 540 N -0.60 0.67 -0.61 5.53 2.02 -2.02 -3.15 112.91 114.76 3mgi h THR 540 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3mgi h THR 540 Cb 0.00 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3mgi h THR 540 CO 0.00 0.21 0.00 1.41 0.37 0.00 0.00 175.52 177.51 3mgi n HIS 541 N -3.59 1.37 -0.32 3.16 8.25 -1.26 -4.92 115.22 117.91 3mgi n HIS 541 Ca -0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 3mgi n HIS 541 Cb 0.35 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3mgi n HIS 541 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mgi n GLY 542 N 0.99 1.91 3.78 -1.41 0.00 -1.19 -5.02 105.19 104.24 3mgi n GLY 542 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 3mgi n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgi s LYS 544 N -3.67 4.61 0.00 0.00 1.02 -1.26 -1.87 119.74 118.56 3mgi s LYS 544 Ca 0.69 1.50 0.00 0.00 0.02 0.00 0.00 55.97 58.18 3mgi s LYS 544 Cb -0.21 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 3mgi s LYS 544 CO 0.33 0.05 0.00 1.55 -0.92 0.00 0.00 175.35 176.36 3mgi n VAL 545 N 3.30 0.00 -4.15 3.17 3.14 0.12 -4.88 118.33 119.03 3mgi n VAL 545 Ca 0.04 -0.11 -0.20 0.00 -2.96 0.00 0.00 64.34 61.11 3mgi n VAL 545 Cb 0.49 0.56 -0.16 0.00 -1.06 0.00 0.00 33.84 33.67 3mgi n VAL 545 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3mgi s GLY 546 N -1.18 0.47 0.04 7.55 0.00 0.18 -4.92 107.32 109.46 3mgi s GLY 546 Ca 0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 44.72 44.39 3mgi s GLY 546 CO 0.00 0.48 1.51 -2.55 0.00 0.00 0.00 173.10 172.53 3mgi h PRO 547 N 7.26 -0.21 0.00 2.90 0.11 -1.86 -1.52 132.00 138.68 3mgi h PRO 547 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3mgi h PRO 547 Cb 1.15 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3mgi h PRO 547 CO 0.46 0.01 0.00 0.41 -0.21 0.00 0.00 178.00 178.67 3mgi n GLY 548 N -0.68 -2.18 3.78 -0.55 0.00 -1.24 -4.53 105.19 99.79 3mgi n GLY 548 Ca -0.09 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 3mgi n GLY 548 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgi s ARG 549 N -0.23 3.12 0.09 1.61 0.52 0.14 -4.88 118.95 119.31 3mgi s ARG 549 Ca 0.00 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 3mgi s ARG 549 Cb 0.00 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.51 3mgi s ARG 549 CO 0.00 0.67 1.14 0.08 0.02 0.00 0.00 175.30 177.21 3mgi s VAL 550 N -1.14 4.09 0.03 3.52 1.01 -1.26 -0.88 120.40 125.78 3mgi s VAL 550 Ca 0.21 1.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.60 3mgi s VAL 550 Cb -0.12 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 3mgi s VAL 550 CO 0.11 0.17 0.50 -0.76 0.00 0.00 0.00 175.10 175.12 3mgi s LEU 551 N 0.60 4.49 0.04 3.92 1.43 0.72 -4.94 118.68 124.94 3mgi s LEU 551 Ca 0.55 1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.46 3mgi s LEU 551 Cb -0.28 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 43.11 3mgi s LEU 551 CO 0.31 0.28 1.66 -2.84 0.23 0.00 0.00 176.35 175.98 3mgi s PRO 552 N -0.99 4.20 -0.43 1.29 0.02 -1.26 -4.50 135.00 133.32 3mgi s PRO 552 Ca 0.27 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.62 3mgi s PRO 552 Cb -0.18 -3.71 0.17 0.00 0.02 0.00 0.00 34.50 30.80 3mgi s PRO 552 CO 0.16 -0.76 0.34 0.95 -0.33 0.00 0.00 177.00 177.36 3mgi s THR 553 N 3.00 0.54 0.30 0.99 -4.23 -1.26 -4.92 115.64 110.07 3mgi s THR 553 Ca 0.74 -2.71 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 3mgi s THR 553 Cb -0.38 -1.39 0.14 0.00 1.34 0.00 0.00 72.50 72.21 3mgi s THR 553 CO 0.32 -1.19 1.82 -0.65 -0.54 0.00 0.00 174.62 174.38 3mgi h PRO 554 N 5.74 0.63 -4.99 3.99 0.11 -1.93 -3.39 132.00 132.16 3mgi h PRO 554 Ca 0.24 -0.15 -0.36 0.00 0.11 0.00 0.00 66.00 65.84 3mgi h PRO 554 Cb 0.90 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 31.79 3mgi h PRO 554 CO 0.39 0.65 -0.64 0.95 -0.21 0.00 0.00 178.00 179.14 3mgi s THR 555 N -4.95 0.85 0.47 -1.15 -4.23 -1.26 -4.52 115.64 100.84 3mgi s THR 555 Ca -0.08 -2.01 0.13 0.00 -1.18 0.00 0.00 61.69 58.54 3mgi s THR 555 Cb 0.15 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.86 3mgi s THR 555 CO 0.78 -0.24 2.09 -0.33 -0.54 0.00 0.00 174.62 176.38 3mgi h GLU 556 N 2.46 0.27 -0.40 3.99 5.08 -1.87 -1.78 114.58 122.33 3mgi h GLU 556 Ca -0.38 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 3mgi h GLU 556 Cb 1.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3mgi h GLU 556 CO 0.64 0.18 0.10 0.87 -1.00 0.00 0.00 179.01 179.80 3mgi h LYS 557 N 0.27 0.59 -0.65 2.33 1.57 -1.97 -1.93 116.57 116.78 3mgi h LYS 557 Ca 0.10 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3mgi h LYS 557 Cb 0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 3mgi h LYS 557 CO -0.02 0.54 0.40 -0.44 -0.57 0.00 0.00 179.45 179.35 3mgi h ASP 558 N 0.58 0.64 0.73 0.86 3.32 -1.71 0.23 116.42 121.07 3mgi h ASP 558 Ca 0.14 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3mgi h ASP 558 Cb 0.21 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3mgi h ASP 558 CO -0.00 0.44 -0.35 0.58 -1.72 0.00 0.00 179.24 178.19 3mgi h VAL 559 N 0.77 0.28 -0.31 -1.35 2.07 -1.38 0.30 116.25 116.64 3mgi h VAL 559 Ca 0.27 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.83 3mgi h VAL 559 Cb 0.05 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.02 3mgi h VAL 559 CO -0.12 0.00 -0.44 -0.26 0.02 0.00 0.00 177.57 176.77 3mgi h PHE 560 N -0.99 -1.28 -0.08 1.57 -1.00 -1.28 -1.51 116.94 112.37 3mgi h PHE 560 Ca -0.10 0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.78 3mgi h PHE 560 Cb 0.75 0.60 -0.05 0.00 3.61 0.00 0.00 35.95 40.86 3mgi h PHE 560 CO -0.02 -0.46 -0.25 -0.09 -1.61 0.00 0.00 178.31 175.88 3mgi h ARG 561 N -0.40 -0.32 -0.01 1.51 2.43 -0.43 0.11 114.38 117.27 3mgi h ARG 561 Ca 0.11 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3mgi h ARG 561 Cb 0.60 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3mgi h ARG 561 CO -0.51 -0.22 0.10 -0.07 -1.51 0.00 0.00 179.97 177.76 3mgi h LEU 562 N -0.34 0.00 -1.88 3.80 3.38 0.09 0.59 115.31 120.95 3mgi h LEU 562 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mgi h LEU 562 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3mgi h LEU 562 CO -0.28 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.43 3mgi n LEU 563 N -3.13 2.85 -2.60 1.67 4.77 -0.41 -4.95 117.00 115.19 3mgi n LEU 563 Ca -0.02 -1.14 -0.15 0.00 -0.03 0.00 0.00 56.01 54.67 3mgi n LEU 563 Cb 0.17 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3mgi n LEU 563 CO 0.19 0.57 0.15 0.61 -1.33 0.00 0.00 177.39 177.58 3mgi n GLY 564 N 1.37 -0.07 3.33 -0.72 0.00 0.21 -5.04 105.19 104.27 3mgi n GLY 564 Ca 0.17 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3mgi n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgi s LEU 565 N -5.18 2.19 0.28 0.99 1.43 0.24 -5.00 118.68 113.63 3mgi s LEU 565 Ca 0.30 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 3mgi s LEU 565 Cb -0.13 -1.18 -0.10 0.00 0.03 0.00 0.00 46.19 44.81 3mgi s LEU 565 CO 0.49 0.21 1.27 -2.84 0.23 0.00 0.00 176.35 175.72 3mgi s PRO 566 N -1.37 4.42 0.60 1.29 0.02 -1.26 -3.68 135.00 135.01 3mgi s PRO 566 Ca 0.11 2.09 -0.20 0.00 0.02 0.00 0.00 61.00 63.02 3mgi s PRO 566 Cb -0.10 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.26 3mgi s PRO 566 CO 0.03 -0.14 1.32 -0.47 -0.33 0.00 0.00 177.00 177.41 3mgi s TYR 567 N -0.71 2.17 -0.06 6.54 6.14 -1.26 -4.98 117.35 125.20 3mgi s TYR 567 Ca 0.51 1.43 0.01 0.00 0.64 0.00 0.00 57.07 59.66 3mgi s TYR 567 Cb -0.37 -3.75 0.02 0.00 0.42 0.00 0.00 41.96 38.28 3mgi s TYR 567 CO 0.46 -2.92 -0.07 1.03 0.64 0.00 0.00 175.55 174.69 3mgi s ARG 568 N -3.16 1.18 0.53 4.97 0.52 -1.26 -5.13 118.95 116.61 3mgi s ARG 568 Ca 0.77 -0.21 -0.22 0.00 -0.52 0.00 0.00 55.73 55.56 3mgi s ARG 568 Cb -0.39 -1.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.90 3mgi s ARG 568 CO 0.43 -0.08 1.29 -1.21 0.02 0.00 0.00 175.30 175.75 3mgi s GLU 569 N 1.00 3.26 0.30 3.54 0.41 -1.26 -4.82 118.70 121.14 3mgi s GLU 569 Ca -0.09 2.08 0.01 0.00 -0.41 0.00 0.00 54.97 56.55 3mgi s GLU 569 Cb -0.14 -2.25 0.72 0.00 -1.78 0.00 0.00 34.13 30.67 3mgi s GLU 569 CO -0.00 -1.04 1.58 -1.35 -0.49 0.00 0.00 175.26 173.96 3mgi h PRO 570 N 1.53 0.02 -0.15 0.39 0.11 -1.95 0.97 132.00 132.92 3mgi h PRO 570 Ca -0.50 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.65 3mgi h PRO 570 Cb 1.29 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3mgi h PRO 570 CO 0.58 0.02 0.14 0.00 -0.21 0.00 0.00 178.00 178.52 3mgi h ALA 571 N 1.95 1.90 0.00 -0.75 0.00 -1.79 -0.27 119.26 120.31 3mgi h ALA 571 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3mgi h ALA 571 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mgi h ALA 571 CO -0.89 -0.21 -0.36 -0.85 0.00 0.00 0.00 179.25 176.93 3mgi n GLU 572 N -4.08 0.21 -0.03 0.00 0.28 0.33 -3.51 120.64 113.85 3mgi n GLU 572 Ca 0.01 0.10 0.13 0.00 -0.16 0.00 0.00 57.16 57.24 3mgi n GLU 572 Cb 0.26 -1.68 0.52 0.00 1.43 0.00 0.00 31.44 31.97 3mgi n GLU 572 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3mgi n ARG 573 N -2.01 1.56 -2.54 3.44 1.74 -0.11 -4.81 116.66 113.93 3mgi n ARG 573 Ca 0.05 -0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 55.89 3mgi n ARG 573 Cb 0.41 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3mgi n ARG 573 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3mgi s ASP 574 N -1.81 6.31 0.00 0.55 2.15 -1.23 -2.48 116.67 120.15 3mgi s ASP 574 Ca 0.36 -0.94 0.11 0.00 0.43 0.00 0.00 52.55 52.51 3mgi s ASP 574 Cb 0.19 -2.56 0.09 0.00 -0.30 0.00 0.00 42.92 40.34 3mgi s ASP 574 CO 0.30 -1.69 0.86 0.79 -0.17 0.00 0.00 175.17 175.26