#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgh s THR 250 N 0.00 3.44 -0.52 0.00 -1.32 -1.26 -5.09 115.64 110.90 3mgh s THR 250 Ca 0.00 -1.24 -0.27 0.00 -1.21 0.00 0.00 61.69 58.97 3mgh s THR 250 Cb 0.00 -2.61 0.03 0.00 -1.51 0.00 0.00 72.50 68.41 3mgh s THR 250 CO 0.00 0.11 1.09 0.21 -2.21 0.00 0.00 174.62 173.82 3mgh s ASN 251 N -2.21 6.51 -0.00 8.08 2.47 -1.25 -4.84 114.94 123.69 3mgh s ASN 251 Ca 0.22 0.17 0.07 0.00 0.42 0.00 0.00 52.86 53.74 3mgh s ASN 251 Cb -0.11 -2.52 0.21 0.00 -1.45 0.00 0.00 41.25 37.38 3mgh s ASN 251 CO 0.14 -1.28 1.17 1.41 -3.72 0.00 0.00 177.10 174.82 3mgh n HIS 252 N 7.84 0.33 -2.21 0.43 8.25 -1.26 -4.04 115.22 124.56 3mgh n HIS 252 Ca 0.08 -0.16 0.02 0.00 -0.26 0.00 0.00 57.72 57.41 3mgh n HIS 252 Cb 0.49 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.68 3mgh n HIS 252 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mgh n ASN 253 N 0.19 1.57 -0.03 0.41 3.02 -1.26 -3.78 115.26 115.38 3mgh n ASN 253 Ca 0.08 -2.75 -0.09 0.00 -0.03 0.00 0.00 54.58 51.79 3mgh n ASN 253 Cb 0.21 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 3mgh n ASN 253 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3mgh h LEU 254 N 1.26 -0.10 -2.29 3.41 5.85 -1.92 0.22 115.31 121.74 3mgh h LEU 254 Ca -0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3mgh h LEU 254 Cb 1.51 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 3mgh h LEU 254 CO 0.12 -0.02 0.01 -0.74 -0.34 0.00 0.00 178.44 177.47 3mgh h HIS 255 N 0.04 0.00 0.07 1.25 2.76 -1.94 -0.74 115.15 116.59 3mgh h HIS 255 Ca 0.08 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 3mgh h HIS 255 Cb 0.11 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.08 3mgh h HIS 255 CO -0.18 0.00 -0.57 0.82 -1.30 0.00 0.00 177.93 176.71 3mgh h ILE 256 N 0.00 1.55 -0.12 6.26 2.04 -1.60 -3.28 117.51 122.36 3mgh h ILE 256 Ca 0.01 -2.43 -0.06 0.00 1.00 0.00 0.00 64.86 63.38 3mgh h ILE 256 Cb 0.04 3.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 3mgh h ILE 256 CO -0.00 0.65 -0.19 0.71 0.00 0.00 0.00 178.15 179.32 3mgh h THR 257 N -0.66 1.20 0.46 -0.27 1.35 -0.54 -2.08 112.91 112.37 3mgh h THR 257 Ca -0.11 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3mgh h THR 257 Cb 1.37 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3mgh h THR 257 CO 0.06 0.27 -0.22 -0.33 -0.25 0.00 0.00 175.52 175.05 3mgh h GLU 258 N 0.18 -0.59 -0.48 4.72 5.08 -1.28 0.89 114.58 123.09 3mgh h GLU 258 Ca 0.03 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3mgh h GLU 258 Cb 0.45 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 3mgh h GLU 258 CO 0.03 -0.37 0.20 0.87 -1.00 0.00 0.00 179.01 178.73 3mgh h LYS 259 N -0.67 0.38 -0.89 2.33 1.79 -1.58 -1.95 116.57 115.99 3mgh h LYS 259 Ca -0.06 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3mgh h LYS 259 Cb 0.50 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 3mgh h LYS 259 CO 0.10 0.25 0.56 -0.07 -1.08 0.00 0.00 179.45 179.22 3mgh h LEU 260 N 0.39 0.91 -0.75 2.94 3.38 -1.20 -2.86 115.31 118.12 3mgh h LEU 260 Ca 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3mgh h LEU 260 Cb 0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3mgh h LEU 260 CO -0.20 0.60 0.43 -0.33 0.09 0.00 0.00 178.44 179.03 3mgh h GLU 261 N 1.05 1.03 -0.99 1.13 5.08 -0.06 0.32 114.58 122.14 3mgh h GLU 261 Ca 0.37 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.72 3mgh h GLU 261 Cb 0.10 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.06 3mgh h GLU 261 CO -0.15 0.75 0.64 0.28 -1.00 0.00 0.00 179.01 179.52 3mgh h VAL 262 N 1.03 1.00 -0.05 3.13 2.07 -1.24 0.10 116.25 122.29 3mgh h VAL 262 Ca 0.27 -0.37 -0.24 0.00 0.82 0.00 0.00 66.70 67.18 3mgh h VAL 262 Cb -0.00 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.62 3mgh h VAL 262 CO -0.05 0.19 -0.92 0.25 0.02 0.00 0.00 177.57 177.07 3mgh h LEU 263 N 1.07 0.81 -0.12 2.57 5.85 -1.09 -2.39 115.31 122.00 3mgh h LEU 263 Ca 0.46 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3mgh h LEU 263 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3mgh h LEU 263 CO -0.22 1.40 0.05 0.00 -0.34 0.00 0.00 178.44 179.33 3mgh h ALA 264 N 0.57 0.15 -0.69 1.25 0.00 -0.47 -2.35 119.26 117.72 3mgh h ALA 264 Ca -0.09 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3mgh h ALA 264 Cb 1.55 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.23 3mgh h ALA 264 CO 0.18 -0.28 0.34 -0.22 0.00 0.00 0.00 179.25 179.27 3mgh h LYS 265 N 0.05 0.57 -0.53 0.00 1.63 -0.81 0.12 116.57 117.60 3mgh h LYS 265 Ca 0.04 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3mgh h LYS 265 Cb 0.14 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3mgh h LYS 265 CO -0.00 0.37 0.35 0.00 -3.45 0.00 0.00 179.45 176.72 3mgh h ALA 266 N 1.41 0.67 -0.69 5.00 0.00 -1.22 -0.80 119.26 123.64 3mgh h ALA 266 Ca 0.34 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 3mgh h ALA 266 Cb 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mgh h ALA 266 CO -0.26 0.11 0.16 1.88 0.00 0.00 0.00 179.25 181.14 3mgh h TYR 267 N 0.72 1.15 -0.04 0.00 0.05 -0.83 -2.21 116.97 115.82 3mgh h TYR 267 Ca 0.20 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 3mgh h TYR 267 Cb -0.08 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.33 3mgh h TYR 267 CO -0.04 0.94 0.02 1.03 -1.05 0.00 0.00 178.16 179.06 3mgh h SER 268 N 1.04 0.04 0.48 3.88 0.87 -0.04 -0.22 113.55 119.61 3mgh h SER 268 Ca 0.22 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 3mgh h SER 268 Cb 0.37 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3mgh h SER 268 CO 0.00 0.09 -0.44 -0.37 -0.53 0.00 0.00 176.83 175.58 3mgh h VAL 269 N -0.00 1.28 0.00 2.23 -1.51 -1.13 -1.68 116.25 115.43 3mgh h VAL 269 Ca 0.01 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 3mgh h VAL 269 Cb 0.05 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 3mgh h VAL 269 CO -0.00 0.43 0.00 0.00 -1.23 0.00 0.00 177.57 176.77 3mgh n GLN 270 N -3.95 0.73 -1.00 5.19 6.02 -0.84 -4.72 117.38 118.82 3mgh n GLN 270 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3mgh n GLN 270 Cb 0.47 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.31 3mgh n GLN 270 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mgh n GLY 271 N 0.43 0.55 2.50 1.08 0.00 -0.63 -4.93 105.19 104.19 3mgh n GLY 271 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3mgh n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mgh n ASP 272 N -0.03 6.89 -0.28 1.61 -0.08 -0.12 -4.77 116.55 119.76 3mgh n ASP 272 Ca 0.00 -2.76 0.08 0.00 -1.51 0.00 0.00 54.79 50.60 3mgh n ASP 272 Cb 0.02 -1.56 0.23 0.00 2.34 0.00 0.00 41.12 42.15 3mgh n ASP 272 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3mgh h LYS 273 N 5.32 0.41 0.04 -0.67 3.64 -1.86 -1.34 116.57 122.13 3mgh h LYS 273 Ca 0.73 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.82 3mgh h LYS 273 Cb 0.42 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3mgh h LYS 273 CO 1.77 0.27 -1.07 -1.49 -2.27 0.00 0.00 179.45 176.67 3mgh h TRP 274 N 0.43 0.79 -0.54 1.91 -0.00 -1.96 -1.53 115.95 115.05 3mgh h TRP 274 Ca 0.47 -0.46 -0.10 0.00 -0.00 0.00 0.00 58.89 58.81 3mgh h TRP 274 Cb 0.80 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.86 3mgh h TRP 274 CO -0.16 1.30 -0.06 -0.09 -0.00 0.00 0.00 178.44 179.42 3mgh h ARG 275 N 0.26 0.97 -0.86 0.49 2.43 -1.89 -1.73 114.38 114.06 3mgh h ARG 275 Ca -0.12 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3mgh h ARG 275 Cb 1.72 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.15 3mgh h ARG 275 CO 0.19 0.99 0.50 0.00 -1.51 0.00 0.00 179.97 180.15 3mgh h ALA 276 N 1.04 1.09 -0.13 2.80 0.00 -1.18 -1.66 119.26 121.23 3mgh h ALA 276 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mgh h ALA 276 Cb 0.60 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3mgh h ALA 276 CO 0.04 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.19 3mgh h LEU 277 N 1.18 0.15 -0.72 0.00 5.85 -0.94 -0.74 115.31 120.10 3mgh h LEU 277 Ca 0.31 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.15 3mgh h LEU 277 Cb -0.03 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 3mgh h LEU 277 CO -0.06 0.11 0.28 1.23 -0.34 0.00 0.00 178.44 179.67 3mgh h GLY 278 N 0.18 1.06 0.98 3.75 0.00 -0.95 -0.33 103.07 107.76 3mgh h GLY 278 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3mgh h GLY 278 CO -0.01 -0.07 0.09 -0.97 0.00 0.00 0.00 176.54 175.58 3mgh h TYR 279 N 0.43 0.17 -0.48 5.60 -1.99 -0.88 -2.40 116.97 117.42 3mgh h TYR 279 Ca 0.38 0.01 0.07 0.00 2.00 0.00 0.00 58.73 61.19 3mgh h TYR 279 Cb 0.55 -0.06 -0.06 0.00 2.00 0.00 0.00 36.73 39.17 3mgh h TYR 279 CO -0.17 0.11 0.13 0.00 -0.00 0.00 0.00 178.16 178.23 3mgh h ALA 280 N 1.06 0.56 -0.62 3.88 0.00 0.41 0.10 119.26 124.66 3mgh h ALA 280 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3mgh h ALA 280 Cb -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3mgh h ALA 280 CO -0.02 -0.27 0.38 0.87 0.00 0.00 0.00 179.25 180.20 3mgh h LYS 281 N 0.29 0.84 -0.83 0.00 1.57 -1.18 -1.18 116.57 116.08 3mgh h LYS 281 Ca 0.24 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3mgh h LYS 281 Cb 0.28 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3mgh h LYS 281 CO -0.27 0.60 0.42 0.00 -0.57 0.00 0.00 179.45 179.62 3mgh h ALA 282 N 1.19 1.18 -0.46 3.86 0.00 -0.71 -1.53 119.26 122.79 3mgh h ALA 282 Ca 0.22 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3mgh h ALA 282 Cb -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3mgh h ALA 282 CO -0.04 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.66 3mgh h ILE 283 N 1.17 1.26 -0.49 0.00 2.04 -0.30 -1.69 117.51 119.50 3mgh h ILE 283 Ca 0.29 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 3mgh h ILE 283 Cb 0.08 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3mgh h ILE 283 CO -0.04 0.37 0.20 0.78 0.00 0.00 0.00 178.15 179.45 3mgh h ASN 284 N 0.66 0.68 -0.85 1.72 2.35 -1.01 -1.64 115.58 117.49 3mgh h ASN 284 Ca 0.13 -0.17 0.11 0.00 -0.55 0.00 0.00 56.30 55.82 3mgh h ASN 284 Cb 0.51 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 3mgh h ASN 284 CO 0.02 0.66 0.55 0.00 -1.65 0.00 0.00 177.43 177.01 3mgh h ALA 285 N 1.04 1.74 0.00 -0.83 0.00 -1.06 -1.03 119.26 119.13 3mgh h ALA 285 Ca 0.16 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3mgh h ALA 285 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mgh h ALA 285 CO -0.01 0.07 -0.58 -0.07 0.00 0.00 0.00 179.25 178.66 3mgh h LEU 286 N 0.77 0.00 -0.45 0.00 3.38 -0.87 -3.01 115.31 115.11 3mgh h LEU 286 Ca 0.40 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.20 3mgh h LEU 286 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3mgh h LEU 286 CO -0.17 0.58 -0.71 0.11 0.09 0.00 0.00 178.44 178.34 3mgh h LYS 287 N 0.00 0.34 -0.30 1.13 1.57 -0.25 -3.21 116.57 115.85 3mgh h LYS 287 Ca -0.01 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3mgh h LYS 287 Cb 1.15 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3mgh h LYS 287 CO 0.08 0.92 0.00 -1.13 -0.57 0.00 0.00 179.45 178.74 3mgh n SER 288 N -3.83 2.78 -4.75 0.86 3.41 -0.92 -3.92 113.62 107.26 3mgh n SER 288 Ca -0.04 -1.90 -0.41 0.00 -0.26 0.00 0.00 58.87 56.27 3mgh n SER 288 Cb 0.69 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 3mgh n SER 288 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3mgh s PHE 289 N -1.61 3.37 -0.33 7.33 5.36 -1.14 -4.88 117.98 126.07 3mgh s PHE 289 Ca 0.36 1.50 0.17 0.00 -0.96 0.00 0.00 56.93 57.99 3mgh s PHE 289 Cb 0.21 -3.46 0.91 0.00 -0.34 0.00 0.00 43.02 40.33 3mgh s PHE 289 CO 0.29 -1.21 1.50 -2.39 -1.46 0.00 0.00 175.22 171.95 3mgh n HIS 290 N 1.61 0.57 -3.57 10.12 1.44 -1.26 -4.48 115.22 119.65 3mgh n HIS 290 Ca 0.01 0.30 -0.09 0.00 -2.01 0.00 0.00 57.72 55.93 3mgh n HIS 290 Cb 0.44 -0.95 -0.02 0.00 0.12 0.00 0.00 29.99 29.57 3mgh n HIS 290 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 3mgh s LYS 291 N -3.42 1.19 0.25 -1.40 -2.85 -1.26 -4.99 119.74 107.27 3mgh s LYS 291 Ca -0.02 -0.52 -0.31 0.00 -1.00 0.00 0.00 55.97 54.12 3mgh s LYS 291 Cb 0.05 0.49 -0.12 0.00 -2.06 0.00 0.00 37.83 36.19 3mgh s LYS 291 CO 0.15 -0.53 1.60 -2.30 0.10 0.00 0.00 175.35 174.37 3mgh n PRO 292 N -0.36 2.59 -2.19 1.78 -0.02 -1.25 -4.83 135.00 130.71 3mgh n PRO 292 Ca -0.10 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 3mgh n PRO 292 Cb 0.62 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3mgh n PRO 292 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mgh s VAL 293 N 0.35 3.15 0.00 -1.45 1.01 -1.26 -4.92 120.40 117.28 3mgh s VAL 293 Ca 0.68 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3mgh s VAL 293 Cb -0.53 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3mgh s VAL 293 CO 0.44 0.14 0.21 0.35 0.00 0.00 0.00 175.10 176.24 3mgh n THR 294 N 2.66 0.00 -3.72 3.92 -2.24 -1.26 -5.04 114.28 108.60 3mgh n THR 294 Ca 0.06 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.25 3mgh n THR 294 Cb 0.42 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.61 3mgh n THR 294 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mgh s SER 295 N -0.50 -0.27 0.25 3.42 1.04 -1.26 -5.04 113.70 111.34 3mgh s SER 295 Ca 0.00 0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.61 3mgh s SER 295 Cb 0.00 0.37 0.46 0.00 0.10 0.00 0.00 66.02 66.95 3mgh s SER 295 CO 0.00 -0.45 1.74 0.22 0.98 0.00 0.00 173.24 175.72 3mgh h TYR 296 N 3.83 0.56 -0.19 5.02 3.20 -1.97 -0.97 116.97 126.45 3mgh h TYR 296 Ca -0.29 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.51 3mgh h TYR 296 Cb 1.17 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3mgh h TYR 296 CO 0.50 0.09 -0.32 0.37 -1.64 0.00 0.00 178.16 177.16 3mgh h GLN 297 N 0.48 0.39 -0.24 1.82 4.15 -1.98 -1.87 115.11 117.85 3mgh h GLN 297 Ca 0.42 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 3mgh h GLN 297 Cb 0.62 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3mgh h GLN 297 CO -0.39 0.67 0.03 1.49 -1.93 0.00 0.00 178.83 178.70 3mgh h GLU 298 N 0.34 0.41 -0.98 1.69 4.81 -1.75 -2.81 114.58 116.28 3mgh h GLU 298 Ca 0.04 -0.12 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3mgh h GLU 298 Cb 0.73 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 3mgh h GLU 298 CO 0.06 0.55 0.62 0.00 -0.73 0.00 0.00 179.01 179.51 3mgh h ALA 299 N 0.84 1.53 0.00 2.92 0.00 -1.01 -1.96 119.26 121.58 3mgh h ALA 299 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3mgh h ALA 299 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3mgh h ALA 299 CO 0.01 0.25 -0.18 0.00 0.00 0.00 0.00 179.25 179.32 3mgh n SER 301 N -3.32 0.00 -4.69 0.00 3.41 -0.74 -4.75 113.62 103.53 3mgh n SER 301 Ca 0.00 0.43 -0.41 0.00 -0.26 0.00 0.00 58.87 58.64 3mgh n SER 301 Cb 0.41 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 3mgh n SER 301 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3mgh s ILE 302 N -2.95 4.94 0.03 -1.33 1.01 -0.99 -5.01 121.20 116.91 3mgh s ILE 302 Ca 0.13 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 3mgh s ILE 302 Cb 0.16 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 3mgh s ILE 302 CO 0.43 0.11 1.51 -2.84 0.00 0.00 0.00 174.94 174.15 3mgh s PRO 303 N 1.63 4.25 0.00 2.79 0.02 -1.26 -1.82 135.00 140.61 3mgh s PRO 303 Ca 0.38 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3mgh s PRO 303 Cb -0.17 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 30.78 3mgh s PRO 303 CO 0.15 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3mgh n GLY 304 N 3.79 1.18 3.12 0.52 0.00 -1.26 -4.89 105.19 107.65 3mgh n GLY 304 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3mgh n GLY 304 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mgh s ILE 305 N -2.09 1.88 0.05 -0.61 1.01 -0.76 -4.16 121.20 116.53 3mgh s ILE 305 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3mgh s ILE 305 Cb 0.00 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 3mgh s ILE 305 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3mgh n GLY 306 N 4.30 4.13 0.45 6.18 0.00 -1.26 -4.55 105.19 114.44 3mgh n GLY 306 Ca -0.20 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.47 3mgh n GLY 306 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3mgh h LYS 307 N 0.00 -0.46 -0.87 1.61 -0.00 -1.97 0.91 116.57 115.79 3mgh h LYS 307 Ca -0.04 0.03 0.06 0.00 -0.00 0.00 0.00 60.65 60.70 3mgh h LYS 307 Cb 0.13 0.11 -0.05 0.00 -0.00 0.00 0.00 32.23 32.41 3mgh h LYS 307 CO 0.07 -0.31 0.57 0.00 -0.00 0.00 0.00 179.45 179.78 3mgh h ARG 308 N -0.48 0.97 -0.01 0.07 3.08 -1.99 -0.26 114.38 115.76 3mgh h ARG 308 Ca 0.06 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3mgh h ARG 308 Cb 0.64 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.48 3mgh h ARG 308 CO -0.52 0.64 -0.41 1.98 -1.07 0.00 0.00 179.97 180.60 3mgh h MET 309 N 1.00 0.29 -0.79 0.04 4.05 -1.77 -2.91 114.93 114.84 3mgh h MET 309 Ca 0.36 -0.30 0.14 0.00 -0.28 0.00 0.00 59.70 59.62 3mgh h MET 309 Cb 0.16 0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 30.95 3mgh h MET 309 CO -0.13 1.00 0.36 0.00 0.23 0.00 0.00 176.91 178.37 3mgh h ALA 310 N 0.30 1.15 -0.62 0.39 0.00 -0.54 0.62 119.26 120.56 3mgh h ALA 310 Ca -0.05 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3mgh h ALA 310 Cb 1.14 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 3mgh h ALA 310 CO 0.08 -0.15 0.21 1.49 0.00 0.00 0.00 179.25 180.88 3mgh h GLU 311 N 0.53 0.36 -0.00 0.00 4.81 -0.98 0.75 114.58 120.05 3mgh h GLU 311 Ca 0.43 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.48 3mgh h GLU 311 Cb 0.63 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3mgh h GLU 311 CO -0.38 0.24 -0.76 0.87 -0.73 0.00 0.00 179.01 178.24 3mgh h LYS 312 N 0.37 0.03 -0.26 1.92 1.57 -0.98 -2.24 116.57 116.98 3mgh h LYS 312 Ca 0.32 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3mgh h LYS 312 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3mgh h LYS 312 CO -0.34 0.78 0.03 0.82 -0.57 0.00 0.00 179.45 180.17 3mgh h ILE 313 N 0.02 1.24 -0.45 1.86 2.04 -0.19 -2.50 117.51 119.52 3mgh h ILE 313 Ca -0.01 -0.81 -0.12 0.00 1.00 0.00 0.00 64.86 64.92 3mgh h ILE 313 Cb 1.35 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3mgh h ILE 313 CO 0.10 0.26 -0.19 0.40 0.00 0.00 0.00 178.15 178.72 3mgh h ILE 314 N 0.25 1.27 -0.57 -0.67 1.08 -0.86 0.50 117.51 118.52 3mgh h ILE 314 Ca 0.08 -1.33 0.04 0.00 -0.39 0.00 0.00 64.86 63.26 3mgh h ILE 314 Cb 0.35 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 3mgh h ILE 314 CO 0.01 0.45 0.32 -0.08 -0.69 0.00 0.00 178.15 178.17 3mgh h GLU 315 N 0.78 0.61 -0.43 2.37 4.81 -1.35 0.19 114.58 121.57 3mgh h GLU 315 Ca 0.11 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3mgh h GLU 315 Cb 0.73 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3mgh h GLU 315 CO 0.06 0.40 -0.24 0.82 -0.73 0.00 0.00 179.01 179.32 3mgh h ILE 316 N 0.63 1.27 -0.07 2.32 2.04 -1.22 0.19 117.51 122.67 3mgh h ILE 316 Ca 0.24 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.73 3mgh h ILE 316 Cb 0.08 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3mgh h ILE 316 CO -0.13 0.48 -0.20 0.25 0.00 0.00 0.00 178.15 178.54 3mgh h LEU 317 N 0.75 -0.61 0.00 1.44 5.85 -0.13 0.16 115.31 122.77 3mgh h LEU 317 Ca 0.09 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3mgh h LEU 317 Cb 0.82 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3mgh h LEU 317 CO 0.07 -0.26 -0.67 -0.33 -0.34 0.00 0.00 178.44 176.91 3mgh h GLU 318 N -0.29 0.00 0.00 1.25 4.39 -0.98 -3.39 114.58 115.56 3mgh h GLU 318 Ca 0.08 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.50 3mgh h GLU 318 Cb 0.40 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 3mgh h GLU 318 CO -0.23 0.00 -2.06 0.43 -1.16 0.00 0.00 179.01 175.99 3mgh n SER 319 N -2.40 2.19 0.00 1.42 7.64 0.65 -4.98 113.62 118.15 3mgh n SER 319 Ca 0.02 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.83 3mgh n SER 319 Cb 0.48 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3mgh n SER 319 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgh n GLY 320 N 2.45 2.43 3.26 0.23 0.00 0.56 -5.02 105.19 109.10 3mgh n GLY 320 Ca -0.31 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 3mgh n GLY 320 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mgh s HIS 321 N -2.35 1.30 -0.26 1.61 5.65 -1.26 -4.96 115.29 115.02 3mgh s HIS 321 Ca 0.00 -0.95 0.01 0.00 0.25 0.00 0.00 55.06 54.37 3mgh s HIS 321 Cb 0.00 -0.73 0.07 0.00 -1.18 0.00 0.00 32.58 30.74 3mgh s HIS 321 CO 0.00 -0.12 -0.02 -1.17 -0.65 0.00 0.00 174.74 172.78 3mgh s LEU 322 N -3.20 2.97 0.32 8.88 2.96 -1.26 -3.58 118.68 125.76 3mgh s LEU 322 Ca 0.23 -1.42 0.07 0.00 -0.22 0.00 0.00 54.13 52.79 3mgh s LEU 322 Cb 0.05 -1.24 0.76 0.00 0.50 0.00 0.00 46.19 46.26 3mgh s LEU 322 CO 0.04 -0.28 1.81 0.03 -1.32 0.00 0.00 176.35 176.63 3mgh h ARG 323 N 7.90 0.74 -1.00 1.98 3.08 -1.98 -1.27 114.38 123.81 3mgh h ARG 323 Ca -0.15 -0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.04 3mgh h ARG 323 Cb 1.05 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.83 3mgh h ARG 323 CO 0.44 0.49 0.62 -0.22 -1.07 0.00 0.00 179.97 180.22 3mgh h LYS 324 N 0.76 0.76 -0.34 0.04 1.63 -1.99 -0.33 116.57 117.10 3mgh h LYS 324 Ca 0.54 -0.05 0.10 0.00 -0.85 0.00 0.00 60.65 60.39 3mgh h LYS 324 Cb 0.84 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 3mgh h LYS 324 CO -0.32 0.50 0.28 -0.07 -3.45 0.00 0.00 179.45 176.39 3mgh h LEU 325 N 0.79 0.00 0.00 5.20 3.38 -1.63 -0.98 115.31 122.06 3mgh h LEU 325 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 3mgh h LEU 325 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3mgh h LEU 325 CO -0.37 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.63 3mgh n ASP 326 N -4.20 0.00 -0.28 -0.43 8.00 -0.13 -3.45 116.55 116.06 3mgh n ASP 326 Ca 0.05 0.19 0.09 0.00 0.71 0.00 0.00 54.79 55.84 3mgh n ASP 326 Cb 0.45 -0.38 0.17 0.00 -0.02 0.00 0.00 41.12 41.33 3mgh n ASP 326 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3mgh n HIS 327 N -1.38 0.20 -2.69 1.24 8.25 -0.37 -5.01 115.22 115.45 3mgh n HIS 327 Ca 0.09 -1.02 -0.42 0.00 -0.26 0.00 0.00 57.72 56.11 3mgh n HIS 327 Cb 0.23 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 3mgh n HIS 327 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mgh s ILE 328 N -2.90 4.70 0.21 1.59 1.01 -1.22 -4.99 121.20 119.61 3mgh s ILE 328 Ca 0.35 2.02 -0.31 0.00 0.00 0.00 0.00 60.65 62.71 3mgh s ILE 328 Cb 0.30 -4.29 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 3mgh s ILE 328 CO 0.03 0.20 1.04 -0.24 0.00 0.00 0.00 174.94 175.98 3mgh n SER 329 N 3.58 1.05 0.32 3.58 2.88 -1.26 -4.82 113.62 118.95 3mgh n SER 329 Ca 0.05 1.15 0.17 0.00 -1.33 0.00 0.00 58.87 58.91 3mgh n SER 329 Cb 0.50 -1.21 0.86 0.00 -0.75 0.00 0.00 64.21 63.61 3mgh n SER 329 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3mgh h GLU 330 N 2.64 0.00 0.00 -1.46 4.11 -2.01 -1.66 114.58 116.20 3mgh h GLU 330 Ca -0.40 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.97 3mgh h GLU 330 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 3mgh h GLU 330 CO 0.65 0.00 -0.25 0.66 0.07 0.00 0.00 179.01 180.15 3mgh h SER 331 N 0.00 0.00 -0.52 3.06 4.64 -2.03 -3.35 113.55 115.35 3mgh h SER 331 Ca 0.01 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.44 3mgh h SER 331 Cb 0.61 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.61 3mgh h SER 331 CO -0.00 0.25 -0.04 0.58 -0.87 0.00 0.00 176.83 176.74 3mgh h VAL 332 N 0.00 0.54 0.00 0.95 2.07 -1.65 -1.04 116.25 117.12 3mgh h VAL 332 Ca -0.00 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3mgh h VAL 332 Cb 0.45 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3mgh h VAL 332 CO 0.03 0.01 -0.26 -0.65 0.02 0.00 0.00 177.57 176.73 3mgh h PRO 333 N 0.07 0.00 0.10 1.57 0.11 -1.83 0.13 132.00 132.16 3mgh h PRO 333 Ca 0.26 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 66.08 3mgh h PRO 333 Cb 0.41 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.54 3mgh h PRO 333 CO -0.48 0.26 -1.20 0.28 -0.21 0.00 0.00 178.00 176.65 3mgh h VAL 334 N 0.00 1.29 -0.83 3.15 2.07 -1.52 -0.59 116.25 119.81 3mgh h VAL 334 Ca -0.00 -2.42 0.07 0.00 0.82 0.00 0.00 66.70 65.17 3mgh h VAL 334 Cb 0.52 2.65 -0.07 0.00 -1.52 0.00 0.00 31.29 32.88 3mgh h VAL 334 CO 0.03 0.74 0.50 -0.07 0.02 0.00 0.00 177.57 178.79 3mgh h LEU 335 N 0.28 0.76 -0.41 2.57 3.38 -0.66 -0.59 115.31 120.63 3mgh h LEU 335 Ca -0.18 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3mgh h LEU 335 Cb 1.87 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 3mgh h LEU 335 CO 0.23 0.47 0.07 -0.08 0.09 0.00 0.00 178.44 179.22 3mgh h GLU 336 N 0.88 0.67 -0.01 1.13 4.81 -0.70 -0.18 114.58 121.18 3mgh h GLU 336 Ca 0.38 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3mgh h GLU 336 Cb 0.25 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 3mgh h GLU 336 CO -0.20 0.71 -0.36 1.25 -0.73 0.00 0.00 179.01 179.68 3mgh h LEU 337 N 0.52 -1.08 -0.74 1.64 5.85 -0.48 -1.42 115.31 119.61 3mgh h LEU 337 Ca 0.12 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 3mgh h LEU 337 Cb 0.36 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3mgh h LEU 337 CO 0.01 -0.41 0.08 -0.26 -0.34 0.00 0.00 178.44 177.52 3mgh h PHE 338 N -0.51 1.11 -0.07 1.25 0.05 -1.00 -2.20 116.94 115.57 3mgh h PHE 338 Ca 0.06 -0.16 0.00 0.00 3.82 0.00 0.00 57.97 61.69 3mgh h PHE 338 Cb 0.60 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 38.24 3mgh h PHE 338 CO -0.38 0.95 0.00 -1.13 -0.18 0.00 0.00 178.31 177.57 3mgh n SER 339 N -4.21 0.50 -0.10 2.17 3.41 -0.09 -2.08 113.62 113.21 3mgh n SER 339 Ca 0.04 -1.76 0.14 0.00 -0.26 0.00 0.00 58.87 57.03 3mgh n SER 339 Cb 0.30 -0.05 0.58 0.00 -0.26 0.00 0.00 64.21 64.78 3mgh n SER 339 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mgh n ASN 340 N -0.34 0.46 -4.59 4.04 3.02 -0.55 -4.79 115.26 112.51 3mgh n ASN 340 Ca 0.09 -0.48 -0.43 0.00 -0.03 0.00 0.00 54.58 53.73 3mgh n ASN 340 Cb 0.11 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3mgh n ASN 340 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mgh s ILE 341 N -2.55 4.43 0.00 2.41 1.01 -0.88 -4.98 121.20 120.64 3mgh s ILE 341 Ca 0.26 1.01 -0.38 0.00 0.00 0.00 0.00 60.65 61.54 3mgh s ILE 341 Cb 0.20 -4.46 -0.18 0.00 0.01 0.00 0.00 42.46 38.03 3mgh s ILE 341 CO 0.50 -0.80 1.30 1.87 0.00 0.00 0.00 174.94 177.81 3mgh n TRP 342 N 7.25 1.30 0.00 3.97 -0.00 -1.26 -0.06 117.44 128.63 3mgh n TRP 342 Ca 0.08 0.78 0.00 0.00 -0.00 0.00 0.00 57.50 58.36 3mgh n TRP 342 Cb 0.48 -2.26 0.00 0.00 -0.00 0.00 0.00 31.31 29.53 3mgh n TRP 342 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3mgh n GLY 343 N 2.41 1.95 3.61 5.87 0.00 -1.26 -3.97 105.19 113.80 3mgh n GLY 343 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3mgh n GLY 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgh s ALA 344 N -2.37 3.34 0.00 4.61 0.00 0.91 -4.76 121.76 123.50 3mgh s ALA 344 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3mgh s ALA 344 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.27 3mgh s ALA 344 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.37 3mgh n GLY 345 N 3.48 7.10 0.31 0.00 0.00 -1.26 -4.62 105.19 110.20 3mgh n GLY 345 Ca -0.17 -2.06 -0.07 0.00 0.00 0.00 0.00 46.02 43.72 3mgh n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgh h THR 346 N 0.14 1.26 -0.64 2.61 1.03 -1.91 -1.21 112.91 114.18 3mgh h THR 346 Ca 0.00 -1.06 -0.04 0.00 -0.01 0.00 0.00 66.41 65.30 3mgh h THR 346 Cb 0.00 0.70 -0.03 0.00 -1.07 0.00 0.00 68.15 67.75 3mgh h THR 346 CO 0.00 0.39 0.24 0.11 -0.01 0.00 0.00 175.52 176.25 3mgh h LYS 347 N 0.99 0.97 -0.16 0.00 1.79 -1.96 -0.83 116.57 117.37 3mgh h LYS 347 Ca 0.19 -0.19 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 3mgh h LYS 347 Cb 0.47 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 30.98 3mgh h LYS 347 CO 0.02 0.83 -0.73 1.15 -1.08 0.00 0.00 179.45 179.64 3mgh h THR 348 N 0.91 1.28 -0.62 -0.16 2.02 -1.91 -0.23 112.91 114.20 3mgh h THR 348 Ca 0.21 -1.94 0.04 0.00 0.77 0.00 0.00 66.41 65.50 3mgh h THR 348 Cb 0.24 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 3mgh h THR 348 CO -0.01 0.61 0.36 0.00 0.37 0.00 0.00 175.52 176.85 3mgh h ALA 349 N 0.55 0.81 -0.10 6.16 0.00 -1.12 -0.92 119.26 124.64 3mgh h ALA 349 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3mgh h ALA 349 Cb 1.36 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mgh h ALA 349 CO 0.15 0.06 0.04 0.37 0.00 0.00 0.00 179.25 179.87 3mgh h GLN 350 N 0.69 0.15 -0.13 0.00 4.15 -1.04 -1.81 115.11 117.11 3mgh h GLN 350 Ca 0.26 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.68 3mgh h GLN 350 Cb 0.10 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3mgh h GLN 350 CO -0.14 0.26 -0.03 1.98 -1.93 0.00 0.00 178.83 178.97 3mgh h MET 351 N 0.00 0.01 -0.58 1.69 4.05 -0.83 -0.56 114.93 118.70 3mgh h MET 351 Ca 0.03 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.50 3mgh h MET 351 Cb 0.17 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 3mgh h MET 351 CO -0.00 0.01 0.38 -1.49 0.23 0.00 0.00 176.91 176.04 3mgh h TRP 352 N 0.01 0.60 -0.12 1.39 6.55 -1.09 -1.62 115.95 121.67 3mgh h TRP 352 Ca 0.06 0.02 -0.22 0.00 0.95 0.00 0.00 58.89 59.70 3mgh h TRP 352 Cb 0.09 -0.20 0.01 0.00 -0.86 0.00 0.00 29.16 28.20 3mgh h TRP 352 CO -0.17 0.34 -0.79 -0.92 -1.05 0.00 0.00 178.44 175.86 3mgh h TYR 353 N 0.61 0.93 0.00 0.49 5.03 -0.68 -1.39 116.97 121.96 3mgh h TYR 353 Ca 0.24 -0.42 -0.01 0.00 2.58 0.00 0.00 58.73 61.13 3mgh h TYR 353 Cb 0.19 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 3mgh h TYR 353 CO -0.00 1.23 -0.03 1.96 -1.32 0.00 0.00 178.16 180.00 3mgh h GLN 354 N 0.46 0.00 -0.01 1.82 1.08 -0.38 -1.12 115.11 116.96 3mgh h GLN 354 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3mgh h GLN 354 Cb 1.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 3mgh h GLN 354 CO 0.15 0.03 -0.04 1.04 -0.95 0.00 0.00 178.83 179.07 3mgh n GLN 355 N -3.22 1.51 -0.18 1.46 6.02 -0.68 -4.91 117.38 117.38 3mgh n GLN 355 Ca -0.01 -0.86 0.00 0.00 -0.01 0.00 0.00 57.00 56.12 3mgh n GLN 355 Cb 0.19 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3mgh n GLN 355 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mgh n GLY 356 N 1.19 0.74 3.75 1.08 0.00 -0.42 -5.06 105.19 106.47 3mgh n GLY 356 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3mgh n GLY 356 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mgh s PHE 357 N -2.47 2.41 0.00 1.61 2.99 -0.55 -4.92 117.98 117.04 3mgh s PHE 357 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 56.93 58.41 3mgh s PHE 357 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 43.02 39.46 3mgh s PHE 357 CO 0.00 -2.34 0.00 0.54 -0.00 0.00 0.00 175.22 173.42 3mgh n ARG 358 N -1.32 0.00 -3.93 0.44 5.12 -1.26 -4.43 116.66 111.28 3mgh n ARG 358 Ca 0.12 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.95 3mgh n ARG 358 Cb 0.48 -0.06 -0.07 0.00 -1.16 0.00 0.00 32.46 31.65 3mgh n ARG 358 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3mgh s SER 359 N 0.00 0.08 0.33 0.55 1.04 -1.26 -4.96 113.70 109.49 3mgh s SER 359 Ca 0.00 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.66 3mgh s SER 359 Cb 0.00 0.39 0.59 0.00 0.10 0.00 0.00 66.02 67.11 3mgh s SER 359 CO 0.00 -0.82 1.91 -0.07 0.98 0.00 0.00 173.24 175.24 3mgh h LEU 360 N 2.64 0.60 -1.01 2.42 3.38 -1.99 -1.96 115.31 119.39 3mgh h LEU 360 Ca -0.33 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3mgh h LEU 360 Cb 1.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3mgh h LEU 360 CO 0.52 0.58 0.12 -0.08 0.09 0.00 0.00 178.44 179.66 3mgh h GLU 361 N 0.65 0.84 0.17 1.13 4.57 -1.99 0.23 114.58 120.18 3mgh h GLU 361 Ca 0.15 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3mgh h GLU 361 Cb 0.19 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3mgh h GLU 361 CO -0.01 0.76 -0.10 -0.44 -1.18 0.00 0.00 179.01 178.04 3mgh h ASP 362 N 0.81 -0.24 -0.45 1.04 3.45 -1.82 -2.63 116.42 116.58 3mgh h ASP 362 Ca 0.18 0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.70 3mgh h ASP 362 Cb 0.31 0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 39.10 3mgh h ASP 362 CO 0.00 -0.16 0.17 0.40 -1.57 0.00 0.00 179.24 178.08 3mgh h ILE 363 N -0.26 0.88 -0.14 0.35 1.08 -0.90 0.18 117.51 118.70 3mgh h ILE 363 Ca -0.02 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 3mgh h ILE 363 Cb 0.21 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.39 3mgh h ILE 363 CO 0.03 0.06 -0.33 -0.09 -0.69 0.00 0.00 178.15 177.13 3mgh h ARG 364 N 0.36 -0.38 0.00 2.37 2.43 -0.40 -2.67 114.38 116.08 3mgh h ARG 364 Ca 0.21 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3mgh h ARG 364 Cb 0.19 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3mgh h ARG 364 CO -0.20 -0.26 0.00 -1.13 -1.51 0.00 0.00 179.97 176.88 3mgh n SER 365 N -5.41 0.00 0.16 -3.80 3.41 -1.00 -4.60 113.62 102.37 3mgh n SER 365 Ca -0.03 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 3mgh n SER 365 Cb 0.33 -0.50 0.54 0.00 -0.26 0.00 0.00 64.21 64.32 3mgh n SER 365 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3mgh h GLN 366 N 0.00 0.00 -6.14 4.33 4.20 -0.77 -3.46 115.11 113.28 3mgh h GLN 366 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 3mgh h GLN 366 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 3mgh h GLN 366 CO 0.00 0.00 -0.55 0.00 -0.67 0.00 0.00 178.83 177.61 3mgh s ALA 367 N -3.40 3.68 -0.13 3.87 0.00 -1.01 -5.01 121.76 119.76 3mgh s ALA 367 Ca 0.03 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 3mgh s ALA 367 Cb 0.09 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 3mgh s ALA 367 CO 0.40 0.61 0.79 -1.54 0.00 0.00 0.00 175.76 176.03 3mgh s SER 368 N -2.86 6.97 -0.06 0.00 1.04 -1.26 -4.88 113.70 112.65 3mgh s SER 368 Ca 0.31 1.19 0.05 0.00 0.48 0.00 0.00 55.95 57.98 3mgh s SER 368 Cb -0.11 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.56 3mgh s SER 368 CO 0.24 -0.31 -0.21 -0.76 0.98 0.00 0.00 173.24 173.19 3mgh s LEU 369 N 1.70 1.98 1.03 2.42 1.43 -1.26 -5.10 118.68 120.87 3mgh s LEU 369 Ca 0.38 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 3mgh s LEU 369 Cb -0.17 -1.19 0.21 0.00 0.03 0.00 0.00 46.19 45.07 3mgh s LEU 369 CO 0.15 0.17 1.07 0.42 0.23 0.00 0.00 176.35 178.39 3mgh s THR 370 N 0.10 2.19 0.24 5.49 -4.23 -1.26 -4.80 115.64 113.37 3mgh s THR 370 Ca -0.08 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 60.43 3mgh s THR 370 Cb -0.14 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.53 3mgh s THR 370 CO 0.04 -0.08 1.81 0.74 -0.54 0.00 0.00 174.62 176.59 3mgh h THR 371 N -2.10 1.25 0.38 3.99 2.02 -2.00 -1.59 112.91 114.86 3mgh h THR 371 Ca -0.55 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 3mgh h THR 371 Cb 1.31 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3mgh h THR 371 CO 0.53 0.32 -0.18 1.56 0.37 0.00 0.00 175.52 178.11 3mgh h GLN 372 N 1.09 -0.49 -0.91 6.66 4.20 -1.91 -2.68 115.11 121.07 3mgh h GLN 372 Ca 0.25 0.03 0.16 0.00 0.06 0.00 0.00 58.65 59.16 3mgh h GLN 372 Cb 0.19 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 3mgh h GLN 372 CO -0.02 -0.24 0.59 1.96 -0.67 0.00 0.00 178.83 180.44 3mgh h GLN 373 N -0.65 0.64 -0.52 1.46 4.20 -1.63 0.29 115.11 118.90 3mgh h GLN 373 Ca -0.05 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 3mgh h GLN 373 Cb 0.47 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3mgh h GLN 373 CO 0.08 0.42 0.09 0.00 -0.67 0.00 0.00 178.83 178.76 3mgh h ALA 374 N 1.60 0.69 -0.80 3.87 0.00 -1.18 0.23 119.26 123.68 3mgh h ALA 374 Ca 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3mgh h ALA 374 Cb 0.82 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3mgh h ALA 374 CO -0.23 0.42 0.38 0.82 0.00 0.00 0.00 179.25 180.64 3mgh h ILE 375 N 0.74 1.25 -0.50 0.00 2.04 -0.90 -2.03 117.51 118.11 3mgh h ILE 375 Ca 0.16 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3mgh h ILE 375 Cb 0.39 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3mgh h ILE 375 CO 0.01 0.30 0.23 1.23 0.00 0.00 0.00 178.15 179.92 3mgh h GLY 376 N 1.16 0.77 0.90 5.37 0.00 -0.25 -2.82 103.07 108.19 3mgh h GLY 376 Ca 0.27 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 3mgh h GLY 376 CO -0.03 0.37 -0.07 -2.00 0.00 0.00 0.00 176.54 174.81 3mgh h LEU 377 N 0.66 0.59 -1.13 3.11 5.85 -0.29 -2.35 115.31 121.74 3mgh h LEU 377 Ca 0.17 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3mgh h LEU 377 Cb 0.13 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3mgh h LEU 377 CO -0.02 0.81 -0.02 0.07 -0.34 0.00 0.00 178.44 178.94 3mgh h LYS 378 N 0.36 0.00 -0.48 1.25 2.10 -1.38 -2.13 116.57 116.29 3mgh h LYS 378 Ca 0.08 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.58 3mgh h LYS 378 Cb 0.55 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.79 3mgh h LYS 378 CO 0.03 0.02 0.10 0.72 -2.00 0.00 0.00 179.45 178.32 3mgh n HIS 379 N -3.12 1.57 0.03 0.07 8.25 -1.07 -4.83 115.22 116.12 3mgh n HIS 379 Ca 0.01 -1.26 -0.10 0.00 -0.26 0.00 0.00 57.72 56.11 3mgh n HIS 379 Cb 0.36 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 3mgh n HIS 379 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3mgh h TYR 380 N 1.75 -0.34 -0.20 4.41 3.20 -0.83 -1.08 116.97 123.88 3mgh h TYR 380 Ca 0.19 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.93 3mgh h TYR 380 Cb 1.86 0.16 0.00 0.00 1.54 0.00 0.00 36.73 40.30 3mgh h TYR 380 CO 0.96 -0.20 -0.44 0.77 -1.64 0.00 0.00 178.16 177.61 3mgh h SER 381 N -0.20 0.74 -0.84 -2.11 0.02 -1.88 -2.82 113.55 106.46 3mgh h SER 381 Ca 0.06 -0.56 0.11 0.00 -0.84 0.00 0.00 61.79 60.56 3mgh h SER 381 Cb 0.29 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.54 3mgh h SER 381 CO -0.17 1.16 0.47 0.44 -1.14 0.00 0.00 176.83 177.59 3mgh h ASP 382 N 0.35 0.66 1.42 3.07 3.45 -1.82 -1.93 116.42 121.62 3mgh h ASP 382 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3mgh h ASP 382 Cb 1.05 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 3mgh h ASP 382 CO 0.10 0.36 0.00 -0.26 -1.57 0.00 0.00 179.24 177.87 3mgh h PHE 383 N 0.77 0.00 0.00 4.55 -1.00 -1.12 -2.99 116.94 117.15 3mgh h PHE 383 Ca 0.42 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 61.02 3mgh h PHE 383 Cb 0.43 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 3mgh h PHE 383 CO -0.06 0.00 -0.99 -0.07 -1.61 0.00 0.00 178.31 175.58 3mgh h LEU 384 N 0.00 0.00 -9.59 1.54 3.38 -1.10 -3.46 115.31 106.09 3mgh h LEU 384 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3mgh h LEU 384 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3mgh h LEU 384 CO 0.00 0.76 0.44 -1.61 0.09 0.00 0.00 178.44 178.11 3mgh s GLU 385 N -2.82 4.61 0.36 1.13 0.41 -1.08 -5.03 118.70 116.27 3mgh s GLU 385 Ca 0.01 1.60 -0.26 0.00 -0.41 0.00 0.00 54.97 55.91 3mgh s GLU 385 Cb 0.09 -3.33 -0.09 0.00 -1.78 0.00 0.00 34.13 29.01 3mgh s GLU 385 CO 0.79 0.08 1.03 1.03 -0.49 0.00 0.00 175.26 177.71 3mgh s ARG 386 N 0.01 4.36 0.15 1.61 0.52 -1.26 -4.82 118.95 119.52 3mgh s ARG 386 Ca 0.50 1.52 0.01 0.00 -0.52 0.00 0.00 55.73 57.24 3mgh s ARG 386 Cb -0.27 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 3mgh s ARG 386 CO 0.32 0.03 0.30 0.00 0.02 0.00 0.00 175.30 175.98 3mgh s MET 387 N -2.17 3.47 0.31 3.54 0.23 0.14 -4.80 119.30 120.02 3mgh s MET 387 Ca 0.53 -0.48 -0.29 0.00 -1.03 0.00 0.00 55.69 54.42 3mgh s MET 387 Cb -0.23 -2.94 -0.11 0.00 -1.53 0.00 0.00 34.83 30.02 3mgh s MET 387 CO 0.29 0.50 1.44 -2.14 -2.03 0.00 0.00 175.02 173.08 3mgh s PRO 388 N -3.10 4.23 0.45 3.16 0.02 -1.26 -0.50 135.00 138.00 3mgh s PRO 388 Ca 0.36 2.39 0.30 0.00 0.02 0.00 0.00 61.00 64.07 3mgh s PRO 388 Cb -0.11 -3.05 1.39 0.00 0.02 0.00 0.00 34.50 32.75 3mgh s PRO 388 CO 0.28 -0.42 1.68 -0.09 -0.33 0.00 0.00 177.00 178.13 3mgh h ARG 389 N 4.00 0.14 0.00 5.54 2.43 -0.75 0.37 114.38 126.10 3mgh h ARG 389 Ca -0.48 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.59 3mgh h ARG 389 Cb 1.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 3mgh h ARG 389 CO 0.71 0.09 -0.45 0.93 -1.51 0.00 0.00 179.97 179.75 3mgh h GLU 390 N 0.14 0.00 -0.08 0.20 3.07 -1.89 -1.63 114.58 114.39 3mgh h GLU 390 Ca 0.74 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.43 3mgh h GLU 390 Cb 2.38 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.28 3mgh h GLU 390 CO -0.29 0.45 -0.69 1.49 -1.40 0.00 0.00 179.01 178.57 3mgh h GLU 391 N 0.00 0.35 -0.72 2.33 4.81 -0.62 -2.19 114.58 118.54 3mgh h GLU 391 Ca -0.00 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3mgh h GLU 391 Cb 0.88 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 3mgh h GLU 391 CO 0.06 0.90 0.38 0.00 -0.73 0.00 0.00 179.01 179.62 3mgh h ALA 392 N 1.02 1.32 -0.34 2.92 0.00 -1.13 -1.40 119.26 121.65 3mgh h ALA 392 Ca -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3mgh h ALA 392 Cb 1.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mgh h ALA 392 CO 0.11 0.55 0.11 1.15 0.00 0.00 0.00 179.25 181.17 3mgh h THR 393 N 1.00 1.20 0.15 0.00 2.02 -1.11 -0.61 112.91 115.56 3mgh h THR 393 Ca 0.25 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3mgh h THR 393 Cb 0.04 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3mgh h THR 393 CO -0.04 0.22 -0.07 -0.33 0.37 0.00 0.00 175.52 175.67 3mgh h GLU 394 N 0.40 -0.19 -0.22 6.66 5.08 -1.12 -0.29 114.58 124.89 3mgh h GLU 394 Ca 0.11 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3mgh h GLU 394 Cb 0.23 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3mgh h GLU 394 CO -0.01 -0.08 -0.20 0.82 -1.00 0.00 0.00 179.01 178.54 3mgh h ILE 395 N -0.25 0.48 -0.60 3.13 2.04 -1.23 0.25 117.51 121.32 3mgh h ILE 395 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3mgh h ILE 395 Cb 0.20 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3mgh h ILE 395 CO 0.03 0.00 0.33 -0.08 0.00 0.00 0.00 178.15 178.43 3mgh h GLU 396 N -0.21 0.60 -0.75 2.37 4.22 -0.94 -2.35 114.58 117.52 3mgh h GLU 396 Ca 0.13 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.48 3mgh h GLU 396 Cb 0.40 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3mgh h GLU 396 CO -0.34 0.40 0.27 1.96 -2.18 0.00 0.00 179.01 179.12 3mgh h GLN 397 N 0.62 1.14 -0.73 1.92 1.08 -0.22 -0.59 115.11 118.32 3mgh h GLN 397 Ca 0.27 -0.22 0.10 0.00 -1.45 0.00 0.00 58.65 57.34 3mgh h GLN 397 Cb 0.15 -0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 3mgh h GLN 397 CO -0.17 0.95 0.36 1.15 -0.95 0.00 0.00 178.83 180.17 3mgh h THR 398 N 1.10 0.82 -0.20 -0.54 2.02 -0.12 -0.06 112.91 115.93 3mgh h THR 398 Ca 0.25 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3mgh h THR 398 Cb 0.25 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3mgh h THR 398 CO -0.02 0.11 -0.04 0.58 0.37 0.00 0.00 175.52 176.52 3mgh h VAL 399 N 0.60 1.28 -0.73 3.16 2.07 -0.91 -2.80 116.25 118.91 3mgh h VAL 399 Ca 0.37 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3mgh h VAL 399 Cb 0.41 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3mgh h VAL 399 CO -0.29 0.31 0.38 -0.61 0.02 0.00 0.00 177.57 177.38 3mgh h GLN 400 N 0.12 1.04 -0.19 1.57 4.15 -0.61 0.56 115.11 121.75 3mgh h GLN 400 Ca 0.05 -0.14 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 3mgh h GLN 400 Cb 0.48 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 3mgh h GLN 400 CO 0.02 0.79 -0.40 -0.22 -1.93 0.00 0.00 178.83 177.09 3mgh h LYS 401 N 1.02 0.43 0.00 1.69 3.64 -1.05 -0.13 116.57 122.17 3mgh h LYS 401 Ca 0.26 -0.21 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 3mgh h LYS 401 Cb 0.07 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3mgh h LYS 401 CO -0.04 0.76 -0.65 0.00 -2.27 0.00 0.00 179.45 177.25 3mgh h ALA 402 N 1.22 0.72 -0.10 5.00 0.00 -1.21 -3.04 119.26 121.84 3mgh h ALA 402 Ca 0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3mgh h ALA 402 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3mgh h ALA 402 CO 0.07 0.81 -0.21 0.00 0.00 0.00 0.00 179.25 179.92 3mgh h ALA 403 N 1.35 0.16 0.00 0.00 0.00 -0.56 -3.30 119.26 116.92 3mgh h ALA 403 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3mgh h ALA 403 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mgh h ALA 403 CO 0.08 0.12 0.00 1.96 0.00 0.00 0.00 179.25 181.41 3mgh h GLN 404 N -0.12 0.00 0.00 0.00 4.20 -1.07 -2.16 115.11 115.95 3mgh h GLN 404 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3mgh h GLN 404 Cb 0.80 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 3mgh h GLN 404 CO 0.05 0.00 -0.10 0.00 -0.67 0.00 0.00 178.83 178.10 3mgh h ALA 405 N 2.29 1.12 0.13 3.87 0.00 -1.60 -2.04 119.26 123.02 3mgh h ALA 405 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.46 3mgh h ALA 405 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3mgh h ALA 405 CO 0.00 0.13 -1.96 1.19 0.00 0.00 0.00 179.25 178.60 3mgh n PHE 406 N -3.38 1.30 -3.29 0.00 3.72 -0.83 -4.86 117.46 110.12 3mgh n PHE 406 Ca -0.01 0.28 -0.06 0.00 -0.05 0.00 0.00 57.45 57.61 3mgh n PHE 406 Cb 0.28 -1.17 -0.06 0.00 -0.94 0.00 0.00 39.48 37.59 3mgh n PHE 406 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3mgh s ASN 407 N -7.05 -0.15 0.21 4.37 3.84 -1.14 -5.02 114.94 109.99 3mgh s ASN 407 Ca -0.22 0.22 0.15 0.00 0.21 0.00 0.00 52.86 53.23 3mgh s ASN 407 Cb 0.06 1.37 0.80 0.00 -0.55 0.00 0.00 41.25 42.93 3mgh s ASN 407 CO 0.77 -0.30 1.47 -1.54 -2.79 0.00 0.00 177.10 174.71 3mgh n SER 408 N 5.38 0.39 0.18 -4.21 3.41 -0.78 -1.65 113.62 116.34 3mgh n SER 408 Ca -0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 3mgh n SER 408 Cb 0.50 -0.72 0.25 0.00 -0.26 0.00 0.00 64.21 63.99 3mgh n SER 408 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3mgh h GLY 409 N 0.39 0.00 -4.12 5.00 0.00 -1.95 -3.47 103.07 98.92 3mgh h GLY 409 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3mgh h GLY 409 CO 0.00 0.00 0.70 1.04 0.00 0.00 0.00 176.54 178.28 3mgh n LEU 410 N -2.81 4.23 -4.68 3.11 4.77 -0.66 -4.56 117.00 116.40 3mgh n LEU 410 Ca 0.05 1.20 -0.35 0.00 -0.03 0.00 0.00 56.01 56.88 3mgh n LEU 410 Cb 0.49 -1.56 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 3mgh n LEU 410 CO 0.33 -0.08 -0.21 -0.76 -1.33 0.00 0.00 177.39 175.33 3mgh s LEU 411 N -1.36 4.01 -0.14 2.23 1.43 0.36 -4.91 118.68 120.30 3mgh s LEU 411 Ca 0.56 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3mgh s LEU 411 Cb -0.52 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3mgh s LEU 411 CO 0.60 0.18 -0.22 0.00 0.23 0.00 0.00 176.35 177.14 3mgh s VAL 413 N 0.80 1.07 -0.03 0.00 1.01 0.20 -4.95 120.40 118.51 3mgh s VAL 413 Ca -0.08 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3mgh s VAL 413 Cb -0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3mgh s VAL 413 CO -0.01 0.34 0.98 0.00 0.00 0.00 0.00 175.10 176.41 3mgh s ALA 414 N 0.75 3.22 0.00 5.51 0.00 -1.26 -0.88 121.76 129.10 3mgh s ALA 414 Ca -0.13 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3mgh s ALA 414 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3mgh s ALA 414 CO 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 175.76 175.47 3mgh n GLY 416 N 5.00 1.36 0.20 0.00 0.00 0.11 -1.76 105.19 110.09 3mgh n GLY 416 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.61 3mgh n GLY 416 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mgh h SER 417 N 3.44 0.00 0.13 1.61 4.64 -1.87 -2.20 113.55 119.31 3mgh h SER 417 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3mgh h SER 417 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3mgh h SER 417 CO 0.00 0.34 -0.38 0.22 -0.87 0.00 0.00 176.83 176.14 3mgh h TYR 418 N 0.00 -1.05 -0.13 4.77 3.20 -1.81 -1.50 116.97 120.45 3mgh h TYR 418 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3mgh h TYR 418 Cb 0.69 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3mgh h TYR 418 CO 0.00 -0.48 0.02 -0.09 -1.64 0.00 0.00 178.16 175.97 3mgh h ARG 419 N -0.61 0.19 0.00 1.82 2.43 -0.74 0.78 114.38 118.24 3mgh h ARG 419 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3mgh h ARG 419 Cb 0.64 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3mgh h ARG 419 CO -0.22 0.19 0.00 0.54 -1.51 0.00 0.00 179.97 178.97 3mgh n ARG 420 N -4.44 0.93 -0.93 0.20 1.74 -0.88 -4.54 116.66 108.73 3mgh n ARG 420 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3mgh n ARG 420 Cb 0.14 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3mgh n ARG 420 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mgh n GLY 421 N 0.64 0.46 3.78 -0.13 0.00 0.27 -3.98 105.19 106.23 3mgh n GLY 421 Ca 0.11 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 3mgh n GLY 421 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgh s LYS 422 N -1.87 3.58 0.29 1.61 -0.14 -0.62 -4.94 119.74 117.65 3mgh s LYS 422 Ca 0.00 1.62 0.14 0.00 -1.36 0.00 0.00 55.97 56.37 3mgh s LYS 422 Cb 0.00 -2.16 0.33 0.00 -1.68 0.00 0.00 37.83 34.32 3mgh s LYS 422 CO 0.00 -0.66 1.57 0.00 -0.76 0.00 0.00 175.35 175.50 3mgh h ALA 423 N 1.57 0.82 -3.30 5.17 0.00 -1.96 -3.44 119.26 118.12 3mgh h ALA 423 Ca -0.50 -0.51 -0.41 0.00 0.00 0.00 0.00 54.91 53.49 3mgh h ALA 423 Cb 1.25 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 3mgh h ALA 423 CO 0.58 0.70 -0.78 0.95 0.00 0.00 0.00 179.25 180.71 3mgh s THR 424 N -3.32 1.16 -0.02 0.00 -4.23 -1.26 -0.06 115.64 107.91 3mgh s THR 424 Ca 0.01 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 3mgh s THR 424 Cb 0.10 -1.18 -0.00 0.00 1.34 0.00 0.00 72.50 72.76 3mgh s THR 424 CO 0.74 -0.27 -0.13 0.00 -0.54 0.00 0.00 174.62 174.42 3mgh h GLY 426 N 6.14 0.00 -2.61 0.00 0.00 -1.87 0.40 103.07 105.12 3mgh h GLY 426 Ca -0.33 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.10 3mgh h GLY 426 CO 0.49 0.00 0.39 0.51 0.00 0.00 0.00 176.54 177.93 3mgh s ASP 427 N -6.20 -0.30 -0.04 0.19 3.84 -1.26 -4.67 116.67 108.23 3mgh s ASP 427 Ca 0.04 -0.29 0.06 0.00 -0.00 0.00 0.00 52.55 52.36 3mgh s ASP 427 Cb 0.07 0.53 -0.02 0.00 -1.38 0.00 0.00 42.92 42.12 3mgh s ASP 427 CO 0.73 -0.94 -0.22 -0.69 -0.00 0.00 0.00 175.17 174.04 3mgh s VAL 428 N -3.45 2.35 -0.19 2.11 1.01 -0.85 -4.79 120.40 116.59 3mgh s VAL 428 Ca 0.08 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3mgh s VAL 428 Cb -0.02 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.53 3mgh s VAL 428 CO -0.02 0.58 -0.10 -1.81 0.00 0.00 0.00 175.10 173.75 3mgh s ASP 429 N -0.45 3.23 -0.33 3.32 1.11 -1.26 -1.23 116.67 121.06 3mgh s ASP 429 Ca 0.05 -0.81 -0.08 0.00 0.18 0.00 0.00 52.55 51.89 3mgh s ASP 429 Cb -0.12 -1.17 0.02 0.00 1.07 0.00 0.00 42.92 42.72 3mgh s ASP 429 CO 0.01 -0.14 0.13 -0.69 1.18 0.00 0.00 175.17 175.66 3mgh s VAL 430 N 1.45 4.19 -0.13 -1.27 1.01 0.22 -0.36 120.40 125.51 3mgh s VAL 430 Ca -0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 3mgh s VAL 430 Cb -0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3mgh s VAL 430 CO -0.08 -0.06 0.41 -0.22 0.00 0.00 0.00 175.10 175.15 3mgh s LEU 431 N 1.51 4.27 -0.09 3.92 2.96 -0.06 -1.76 118.68 129.44 3mgh s LEU 431 Ca 0.02 0.71 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3mgh s LEU 431 Cb -0.18 -2.59 0.01 0.00 0.50 0.00 0.00 46.19 43.93 3mgh s LEU 431 CO 0.04 0.04 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.30 3mgh s ILE 432 N 0.54 1.60 0.26 6.68 1.01 0.82 -0.63 121.20 131.49 3mgh s ILE 432 Ca 0.23 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.16 3mgh s ILE 432 Cb -0.14 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 3mgh s ILE 432 CO 0.08 0.46 0.29 1.07 0.00 0.00 0.00 174.94 176.84 3mgh n THR 433 N 3.75 0.00 -3.96 2.92 5.66 -0.60 -1.50 114.28 120.55 3mgh n THR 433 Ca -0.21 -1.65 -0.17 0.00 -3.05 0.00 0.00 64.05 58.97 3mgh n THR 433 Cb 0.52 0.90 -0.16 0.00 -1.55 0.00 0.00 70.33 70.04 3mgh n THR 433 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 3mgh s HIS 434 N -3.19 0.34 0.34 1.09 2.46 -1.26 -0.49 115.29 114.58 3mgh s HIS 434 Ca 0.27 -0.02 0.03 0.00 0.47 0.00 0.00 55.06 55.81 3mgh s HIS 434 Cb 0.00 -0.40 0.62 0.00 -0.13 0.00 0.00 32.58 32.67 3mgh s HIS 434 CO 0.19 -0.12 1.94 -1.35 -2.47 0.00 0.00 174.74 172.93 3mgh h PRO 435 N 7.14 0.66 -7.23 2.88 0.11 -1.98 -3.37 132.00 130.21 3mgh h PRO 435 Ca -0.41 -0.09 -0.41 0.00 0.11 0.00 0.00 66.00 65.19 3mgh h PRO 435 Cb 1.14 -0.12 0.20 0.00 0.11 0.00 0.00 31.00 32.33 3mgh h PRO 435 CO 0.48 0.55 0.04 0.16 -0.21 0.00 0.00 178.00 179.02 3mgh s ASP 436 N -6.63 0.52 0.00 -2.05 -4.77 -1.26 -4.86 116.67 97.61 3mgh s ASP 436 Ca -0.09 0.93 0.00 0.00 -3.30 0.00 0.00 52.55 50.10 3mgh s ASP 436 Cb 0.16 -1.38 0.00 0.00 -1.09 0.00 0.00 42.92 40.61 3mgh s ASP 436 CO 0.76 -4.41 0.49 0.61 0.70 0.00 0.00 175.17 173.33 3mgh n GLY 437 N 0.08 -1.84 2.69 2.12 0.00 -1.26 -4.50 105.19 102.47 3mgh n GLY 437 Ca 0.10 0.36 -0.06 0.00 0.00 0.00 0.00 46.02 46.42 3mgh n GLY 437 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3mgh n ARG 438 N -2.10 0.54 0.00 1.61 0.00 -1.26 -4.42 116.66 111.03 3mgh n ARG 438 Ca 0.00 -1.26 0.00 0.00 -0.00 0.00 0.00 57.85 56.59 3mgh n ARG 438 Cb 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 32.46 31.92 3mgh n ARG 438 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3mgh n SER 439 N 0.41 0.05 0.09 2.89 7.64 -1.26 -3.43 113.62 120.00 3mgh n SER 439 Ca -0.01 -1.86 -0.03 0.00 1.01 0.00 0.00 58.87 57.99 3mgh n SER 439 Cb 0.73 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.85 3mgh n SER 439 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3mgh h HIS 440 N 0.00 0.00 -3.82 1.43 2.07 -1.91 -3.45 115.15 109.48 3mgh h HIS 440 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 3mgh h HIS 440 Cb 0.02 0.00 0.07 0.00 2.57 0.00 0.00 27.41 30.07 3mgh h HIS 440 CO 0.00 0.76 0.66 1.03 -3.07 0.00 0.00 177.93 177.31 3mgh s ARG 441 N -2.82 4.34 0.00 5.12 3.00 -1.22 -3.78 118.95 123.58 3mgh s ARG 441 Ca 0.02 2.24 0.00 0.00 0.00 0.00 0.00 55.73 57.98 3mgh s ARG 441 Cb 0.09 -3.07 0.00 0.00 0.00 0.00 0.00 34.95 31.96 3mgh s ARG 441 CO 0.79 -0.23 0.00 0.41 0.00 0.00 0.00 175.30 176.27 3mgh n GLY 442 N 0.96 3.07 0.02 -3.53 0.00 -1.26 -4.85 105.19 99.60 3mgh n GLY 442 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3mgh n GLY 442 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mgh n ILE 443 N -0.54 0.11 0.11 -0.61 -6.64 -1.25 -4.42 119.36 106.11 3mgh n ILE 443 Ca 0.00 -0.17 -0.12 0.00 -1.77 0.00 0.00 62.75 60.70 3mgh n ILE 443 Cb 0.00 0.34 -0.07 0.00 -1.44 0.00 0.00 39.64 38.47 3mgh n ILE 443 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 3mgh h PHE 444 N 0.00 -1.03 -0.94 4.28 -0.00 -1.89 0.31 116.94 117.67 3mgh h PHE 444 Ca 0.00 0.02 0.20 0.00 -0.00 0.00 0.00 57.97 58.19 3mgh h PHE 444 Cb 0.66 0.43 -0.08 0.00 -0.00 0.00 0.00 35.95 36.96 3mgh h PHE 444 CO 0.00 -0.42 0.61 1.03 -0.00 0.00 0.00 178.31 179.52 3mgh h SER 445 N -0.56 0.52 -0.11 0.41 0.87 -1.94 -1.40 113.55 111.34 3mgh h SER 445 Ca -0.01 0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.39 3mgh h SER 445 Cb 0.54 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3mgh h SER 445 CO -0.16 0.20 -0.78 0.03 -0.53 0.00 0.00 176.83 175.59 3mgh h ARG 446 N 0.51 0.71 -0.21 2.24 3.08 -1.60 -2.82 114.38 116.30 3mgh h ARG 446 Ca 0.50 -0.63 0.05 0.00 0.07 0.00 0.00 59.98 59.97 3mgh h ARG 446 Cb 1.10 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 3mgh h ARG 446 CO -0.23 1.23 -0.10 1.25 -1.07 0.00 0.00 179.97 181.05 3mgh h LEU 447 N 0.41 -0.32 -0.50 3.04 5.85 0.13 -1.46 115.31 122.46 3mgh h LEU 447 Ca -0.07 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3mgh h LEU 447 Cb 1.42 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.61 3mgh h LEU 447 CO 0.16 -0.13 0.32 -0.07 -0.34 0.00 0.00 178.44 178.39 3mgh h LEU 448 N -0.07 0.56 -0.94 2.25 3.38 -1.46 -0.35 115.31 118.68 3mgh h LEU 448 Ca 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3mgh h LEU 448 Cb 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3mgh h LEU 448 CO -0.25 0.40 0.53 0.44 0.09 0.00 0.00 178.44 179.65 3mgh h ASP 449 N 0.66 1.13 0.28 -0.43 3.45 -1.33 0.62 116.42 120.81 3mgh h ASP 449 Ca 0.18 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 3mgh h ASP 449 Cb -0.06 -0.29 -0.00 0.00 -0.56 0.00 0.00 39.33 38.42 3mgh h ASP 449 CO -0.05 0.89 -0.15 -1.28 -1.57 0.00 0.00 179.24 177.08 3mgh h SER 450 N 1.29 -0.37 -0.17 6.45 0.87 -0.75 -0.83 113.55 120.05 3mgh h SER 450 Ca 0.33 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 3mgh h SER 450 Cb -0.02 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3mgh h SER 450 CO -0.06 -0.25 0.09 -0.07 -0.53 0.00 0.00 176.83 176.02 3mgh h LEU 451 N -0.40 0.24 0.14 2.23 3.38 -0.74 -0.56 115.31 119.59 3mgh h LEU 451 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3mgh h LEU 451 Cb 0.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mgh h LEU 451 CO 0.05 0.21 -0.07 -0.09 0.09 0.00 0.00 178.44 178.63 3mgh h ARG 452 N 0.27 -0.18 -0.33 1.13 2.43 -0.59 -1.87 114.38 115.24 3mgh h ARG 452 Ca 0.07 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3mgh h ARG 452 Cb 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3mgh h ARG 452 CO -0.01 0.28 -0.01 -0.56 -1.51 0.00 0.00 179.97 178.16 3mgh h GLN 453 N -0.79 0.51 -0.01 0.20 3.07 -0.98 -0.92 115.11 116.19 3mgh h GLN 453 Ca -0.02 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.61 3mgh h GLN 453 Cb 0.54 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.03 3mgh h GLN 453 CO 0.03 0.55 0.01 1.49 0.09 0.00 0.00 178.83 180.99 3mgh h GLU 454 N 0.49 0.00 0.00 0.06 4.81 -1.13 -3.46 114.58 115.35 3mgh h GLU 454 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3mgh h GLU 454 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3mgh h GLU 454 CO 0.01 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.70 3mgh n GLY 455 N -1.32 2.01 0.07 1.92 0.00 -0.35 -5.01 105.19 102.51 3mgh n GLY 455 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3mgh n GLY 455 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mgh h PHE 456 N 0.00 -0.05 -3.27 1.61 3.57 -1.52 -3.41 116.94 113.86 3mgh h PHE 456 Ca 0.00 -0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.93 3mgh h PHE 456 Cb 0.00 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3mgh h PHE 456 CO 0.00 0.32 0.49 -0.51 -2.23 0.00 0.00 178.31 176.38 3mgh s LEU 457 N -9.46 4.22 -0.18 0.59 1.43 -1.03 -0.91 118.68 113.35 3mgh s LEU 457 Ca -0.15 1.40 0.09 0.00 -1.03 0.00 0.00 54.13 54.44 3mgh s LEU 457 Cb 0.03 -3.43 -0.18 0.00 0.03 0.00 0.00 46.19 42.64 3mgh s LEU 457 CO 0.65 -0.42 -0.05 0.35 0.23 0.00 0.00 176.35 177.12 3mgh n THR 458 N 4.59 1.17 -3.82 5.49 -2.24 0.37 -4.70 114.28 115.14 3mgh n THR 458 Ca 0.07 -0.60 -0.12 0.00 -2.27 0.00 0.00 64.05 61.13 3mgh n THR 458 Cb 0.49 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 3mgh n THR 458 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3mgh s ASP 459 N -5.46 -0.13 -0.11 3.42 1.11 -1.20 -5.02 116.67 109.28 3mgh s ASP 459 Ca -0.17 0.14 -0.04 0.00 0.18 0.00 0.00 52.55 52.66 3mgh s ASP 459 Cb 0.06 0.34 -0.04 0.00 1.07 0.00 0.00 42.92 44.35 3mgh s ASP 459 CO 0.60 -0.25 0.05 -1.81 1.18 0.00 0.00 175.17 174.94 3mgh s ASP 460 N -0.69 5.62 -0.12 0.27 1.01 -1.26 -1.17 116.67 120.33 3mgh s ASP 460 Ca -0.08 0.22 -0.01 0.00 0.71 0.00 0.00 52.55 53.39 3mgh s ASP 460 Cb -0.04 -1.73 -0.07 0.00 1.01 0.00 0.00 42.92 42.09 3mgh s ASP 460 CO 0.01 0.35 -0.12 0.18 0.21 0.00 0.00 175.17 175.80 3mgh n LEU 461 N 2.34 2.32 -3.70 1.23 4.77 -0.08 -4.92 117.00 118.96 3mgh n LEU 461 Ca -0.19 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 3mgh n LEU 461 Cb 0.54 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 3mgh n LEU 461 CO 0.30 0.56 -0.14 -0.69 -1.33 0.00 0.00 177.39 176.09 3mgh s VAL 462 N -2.23 -0.18 -0.57 4.08 1.01 0.21 -4.89 120.40 117.83 3mgh s VAL 462 Ca -0.16 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3mgh s VAL 462 Cb 0.05 -0.39 0.15 0.00 0.00 0.00 0.00 36.38 36.19 3mgh s VAL 462 CO 0.25 0.09 0.38 -0.54 0.00 0.00 0.00 175.10 175.28 3mgh s LYS 463 N 1.71 2.42 0.59 2.72 3.01 -1.26 -1.46 119.74 127.47 3mgh s LYS 463 Ca -0.05 -2.35 -0.01 0.00 -1.01 0.00 0.00 55.97 52.55 3mgh s LYS 463 Cb -0.11 -3.69 0.04 0.00 -1.01 0.00 0.00 37.83 33.06 3mgh s LYS 463 CO -0.08 -1.15 0.83 0.20 0.51 0.00 0.00 175.35 175.66 3mgh s GLY 464 N 0.97 1.79 0.24 -3.33 0.00 0.39 -5.00 107.32 102.38 3mgh s GLY 464 Ca 0.15 -1.23 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 3mgh s GLY 464 CO -0.03 -0.91 1.86 0.83 0.00 0.00 0.00 173.10 174.84 3mgh h GLU 470 N -0.09 0.99 0.00 2.90 4.39 -2.02 -3.33 114.58 117.43 3mgh h GLU 470 Ca -0.43 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3mgh h GLU 470 Cb 1.30 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3mgh h GLU 470 CO 0.54 0.66 0.00 0.25 -1.16 0.00 0.00 179.01 179.30 3mgh n THR 471 N -4.59 0.00 -4.48 1.13 -2.24 -1.26 -4.98 114.28 97.86 3mgh n THR 471 Ca 0.12 -0.23 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 3mgh n THR 471 Cb 0.15 1.52 -0.16 0.00 -2.10 0.00 0.00 70.33 69.73 3mgh n THR 471 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3mgh s LYS 472 N -0.01 1.49 -0.14 -0.78 2.20 -1.25 -0.84 119.74 120.41 3mgh s LYS 472 Ca 0.00 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 3mgh s LYS 472 Cb 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 3mgh s LYS 472 CO 0.00 0.00 -0.19 -0.47 -0.36 0.00 0.00 175.35 174.33 3mgh s TYR 473 N 0.72 2.70 -0.20 4.03 5.04 0.13 -0.46 117.35 129.31 3mgh s TYR 473 Ca -0.14 -1.16 -0.02 0.00 -2.44 0.00 0.00 57.07 53.31 3mgh s TYR 473 Cb -0.15 -1.83 -0.01 0.00 0.35 0.00 0.00 41.96 40.32 3mgh s TYR 473 CO 0.03 -0.52 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.13 3mgh s LEU 474 N 0.72 2.75 0.00 6.97 1.02 -0.53 -0.38 118.68 129.23 3mgh s LEU 474 Ca -0.08 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.65 3mgh s LEU 474 Cb -0.16 -1.68 0.00 0.00 0.02 0.00 0.00 46.19 44.38 3mgh s LEU 474 CO 0.01 0.02 0.00 0.61 0.02 0.00 0.00 176.35 177.01 3mgh n GLY 475 N 4.53 3.68 2.87 -3.19 0.00 0.28 -0.62 105.19 112.73 3mgh n GLY 475 Ca -0.19 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 3mgh n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mgh s VAL 476 N -1.92 0.37 0.35 1.61 1.01 -0.32 -1.66 120.40 119.85 3mgh s VAL 476 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3mgh s VAL 476 Cb 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 36.38 35.89 3mgh s VAL 476 CO 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 175.10 175.26 3mgh s ARG 478 N -3.73 0.45 0.83 0.00 3.52 -0.08 -0.28 118.95 119.66 3mgh s ARG 478 Ca 0.34 0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 56.72 3mgh s ARG 478 Cb 0.07 0.03 0.09 0.00 -1.56 0.00 0.00 34.95 33.57 3mgh s ARG 478 CO 0.16 -0.16 1.09 -0.51 -0.81 0.00 0.00 175.30 175.07 3mgh s LEU 479 N 1.51 2.74 0.56 -0.88 1.43 -1.26 -4.53 118.68 118.24 3mgh s LEU 479 Ca -0.09 1.72 -0.19 0.00 -1.03 0.00 0.00 54.13 54.54 3mgh s LEU 479 Cb -0.08 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.79 3mgh s LEU 479 CO -0.14 -2.32 1.15 -2.84 0.23 0.00 0.00 176.35 172.43 3mgh s PRO 480 N -4.90 3.24 0.00 1.29 0.02 -1.26 -4.86 135.00 128.54 3mgh s PRO 480 Ca 0.62 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3mgh s PRO 480 Cb -0.18 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3mgh s PRO 480 CO 0.57 -0.95 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 3mgh n GLY 481 N 0.27 2.70 3.75 0.52 0.00 -1.26 -4.93 105.19 106.24 3mgh n GLY 481 Ca 0.12 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 3mgh n GLY 481 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mgh s PRO 482 N -2.97 4.15 -0.23 1.61 0.04 -1.26 -3.52 135.00 132.83 3mgh s PRO 482 Ca 0.00 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.55 3mgh s PRO 482 Cb 0.00 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.51 3mgh s PRO 482 CO 0.00 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.89 3mgh n GLY 483 N 1.86 0.55 3.77 0.56 0.00 -1.26 -5.01 105.19 105.66 3mgh n GLY 483 Ca 0.06 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 3mgh n GLY 483 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mgh s ARG 484 N -1.35 4.67 0.28 1.61 1.81 -1.23 -5.05 118.95 119.69 3mgh s ARG 484 Ca 0.00 1.33 -0.02 0.00 -1.72 0.00 0.00 55.73 55.32 3mgh s ARG 484 Cb 0.00 -3.09 -0.04 0.00 -0.45 0.00 0.00 34.95 31.37 3mgh s ARG 484 CO 0.00 0.44 0.50 1.03 -0.68 0.00 0.00 175.30 176.60 3mgh s ARG 485 N -1.52 3.55 0.12 3.54 0.52 -1.26 -4.99 118.95 118.92 3mgh s ARG 485 Ca 0.43 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 55.14 3mgh s ARG 485 Cb -0.22 -2.71 -0.07 0.00 0.52 0.00 0.00 34.95 32.47 3mgh s ARG 485 CO 0.27 0.25 1.11 -1.01 0.02 0.00 0.00 175.30 175.94 3mgh s HIS 486 N -2.10 3.56 0.02 -0.53 3.76 -1.26 -4.56 115.29 114.18 3mgh s HIS 486 Ca 0.41 1.53 0.07 0.00 -0.15 0.00 0.00 55.06 56.92 3mgh s HIS 486 Cb -0.10 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.27 3mgh s HIS 486 CO 0.32 -0.72 -0.20 1.03 -0.85 0.00 0.00 174.74 174.32 3mgh s ARG 487 N 0.19 1.46 0.05 1.40 1.81 0.62 -4.43 118.95 120.05 3mgh s ARG 487 Ca 0.52 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 53.39 3mgh s ARG 487 Cb -0.28 -1.50 -0.05 0.00 -0.45 0.00 0.00 34.95 32.66 3mgh s ARG 487 CO 0.32 0.40 1.16 0.50 -0.68 0.00 0.00 175.30 177.00 3mgh s ARG 488 N -0.87 4.45 -0.03 3.54 6.06 -1.26 -0.75 118.95 130.08 3mgh s ARG 488 Ca 0.07 1.71 -0.02 0.00 -2.50 0.00 0.00 55.73 54.99 3mgh s ARG 488 Cb -0.08 -3.36 0.02 0.00 0.06 0.00 0.00 34.95 31.58 3mgh s ARG 488 CO 0.01 -0.22 0.08 -1.17 -2.50 0.00 0.00 175.30 171.49 3mgh s LEU 489 N 1.04 1.46 -0.03 -0.88 2.96 -0.66 -2.00 118.68 120.57 3mgh s LEU 489 Ca 0.58 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.69 3mgh s LEU 489 Cb -0.28 0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.62 3mgh s LEU 489 CO 0.29 -0.06 -0.17 -1.81 -1.32 0.00 0.00 176.35 173.28 3mgh s ASP 490 N 0.38 2.08 -0.09 3.68 1.01 -0.36 -0.56 116.67 122.81 3mgh s ASP 490 Ca -0.03 -0.33 0.02 0.00 0.71 0.00 0.00 52.55 52.92 3mgh s ASP 490 Cb -0.04 -0.38 0.01 0.00 1.01 0.00 0.00 42.92 43.52 3mgh s ASP 490 CO -0.01 0.19 -0.15 -0.63 0.21 0.00 0.00 175.17 174.77 3mgh s ILE 491 N -0.21 1.40 -0.06 0.77 1.01 0.49 -0.61 121.20 123.99 3mgh s ILE 491 Ca 0.02 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.12 3mgh s ILE 491 Cb -0.09 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 3mgh s ILE 491 CO 0.00 0.42 -0.22 -0.63 0.00 0.00 0.00 174.94 174.51 3mgh s ILE 492 N 0.81 1.86 -0.17 2.92 1.09 -0.72 0.19 121.20 127.18 3mgh s ILE 492 Ca -0.11 -0.95 -0.02 0.00 -1.10 0.00 0.00 60.65 58.47 3mgh s ILE 492 Cb -0.16 -1.59 -0.01 0.00 -1.06 0.00 0.00 42.46 39.65 3mgh s ILE 492 CO 0.02 0.52 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.59 3mgh s VAL 493 N -0.05 3.18 -0.00 2.92 1.01 -0.02 -0.13 120.40 127.32 3mgh s VAL 493 Ca -0.05 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3mgh s VAL 493 Cb -0.14 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3mgh s VAL 493 CO 0.04 0.49 -0.10 0.68 0.00 0.00 0.00 175.10 176.21 3mgh s VAL 494 N 0.79 0.75 0.71 2.92 -7.23 -0.56 -4.84 120.40 112.95 3mgh s VAL 494 Ca -0.04 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.53 3mgh s VAL 494 Cb -0.15 -0.64 -0.00 0.00 0.56 0.00 0.00 36.38 36.15 3mgh s VAL 494 CO 0.01 0.19 0.91 -0.81 -0.31 0.00 0.00 175.10 175.09 3mgh n PRO 495 N 2.77 0.50 0.11 4.82 -0.04 -1.26 -4.39 135.00 137.50 3mgh n PRO 495 Ca -0.14 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 3mgh n PRO 495 Cb 0.57 -2.17 0.49 0.00 -0.04 0.00 0.00 33.50 32.35 3mgh n PRO 495 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3mgh h TYR 496 N -0.23 0.30 -0.10 0.54 3.20 -1.77 -1.40 116.97 117.50 3mgh h TYR 496 Ca -0.47 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.43 3mgh h TYR 496 Cb 1.34 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 3mgh h TYR 496 CO 0.39 0.22 0.14 1.03 -1.64 0.00 0.00 178.16 178.30 3mgh h SER 497 N 0.31 0.00 -0.02 -2.11 0.87 -1.89 -2.12 113.55 108.59 3mgh h SER 497 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3mgh h SER 497 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3mgh h SER 497 CO -0.01 0.00 -0.08 -0.62 -0.53 0.00 0.00 176.83 175.59 3mgh n GLU 498 N -3.68 1.66 -0.28 2.24 1.02 -0.53 -4.62 120.64 116.45 3mgh n GLU 498 Ca -0.00 -1.49 0.09 0.00 -0.02 0.00 0.00 57.16 55.74 3mgh n GLU 498 Cb 0.24 -1.37 0.24 0.00 -0.02 0.00 0.00 31.44 30.53 3mgh n GLU 498 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3mgh h PHE 499 N 3.44 0.34 0.21 -0.32 3.57 -1.36 -1.60 116.94 121.21 3mgh h PHE 499 Ca 0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3mgh h PHE 499 Cb 0.77 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.49 3mgh h PHE 499 CO 0.00 -0.14 -0.10 0.00 -2.23 0.00 0.00 178.31 175.84 3mgh h ALA 500 N 1.70 -0.29 -0.90 2.41 0.00 -1.77 -1.20 119.26 119.22 3mgh h ALA 500 Ca 0.49 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3mgh h ALA 500 Cb 0.91 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3mgh h ALA 500 CO -0.58 -0.49 0.59 0.00 0.00 0.00 0.00 179.25 178.76 3mgh h ALA 502 N 1.48 0.42 -0.82 0.00 0.00 -0.57 0.36 119.26 120.12 3mgh h ALA 502 Ca 0.36 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3mgh h ALA 502 Cb 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3mgh h ALA 502 CO -0.11 0.16 0.50 1.25 0.00 0.00 0.00 179.25 181.05 3mgh h LEU 503 N 0.35 0.78 0.54 0.00 5.85 -0.85 0.74 115.31 122.72 3mgh h LEU 503 Ca 0.09 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3mgh h LEU 503 Cb 0.42 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.31 3mgh h LEU 503 CO 0.01 0.50 -0.26 0.25 -0.34 0.00 0.00 178.44 178.61 3mgh h LEU 504 N 0.92 -0.61 -0.24 2.25 5.85 -1.00 -2.44 115.31 120.04 3mgh h LEU 504 Ca 0.36 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.11 3mgh h LEU 504 Cb 0.18 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3mgh h LEU 504 CO -0.18 -0.22 -0.26 0.22 -0.34 0.00 0.00 178.44 177.66 3mgh h TYR 505 N -1.10 -0.70 0.00 1.25 3.20 -0.67 -1.35 116.97 117.60 3mgh h TYR 505 Ca -0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3mgh h TYR 505 Cb 0.61 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3mgh h TYR 505 CO 0.01 -0.34 0.00 0.74 -1.64 0.00 0.00 178.16 176.93 3mgh h PHE 506 N -0.27 0.00 -0.02 -3.82 0.04 -0.95 -1.73 116.94 110.19 3mgh h PHE 506 Ca 0.13 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.72 3mgh h PHE 506 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3mgh h PHE 506 CO -0.41 0.00 -0.79 1.15 -0.60 0.00 0.00 178.31 177.66 3mgh h THR 507 N 0.00 1.47 0.00 -1.55 2.02 -1.06 0.35 112.91 114.14 3mgh h THR 507 Ca 0.00 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.75 3mgh h THR 507 Cb 0.77 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 3mgh h THR 507 CO 0.00 0.71 0.00 0.61 0.37 0.00 0.00 175.52 177.21 3mgh n GLY 508 N 0.68 2.28 3.64 2.16 0.00 -0.54 -3.94 105.19 109.46 3mgh n GLY 508 Ca -0.03 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3mgh n GLY 508 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mgh s SER 509 N -4.00 2.03 0.25 1.61 1.04 -0.67 -4.73 113.70 109.23 3mgh s SER 509 Ca 0.00 1.09 -0.03 0.00 0.48 0.00 0.00 55.95 57.49 3mgh s SER 509 Cb 0.00 -1.69 0.48 0.00 0.10 0.00 0.00 66.02 64.91 3mgh s SER 509 CO 0.00 -3.49 1.75 0.00 0.98 0.00 0.00 173.24 172.48 3mgh h ALA 510 N -2.14 1.15 -0.45 5.32 0.00 -1.88 0.25 119.26 121.51 3mgh h ALA 510 Ca -0.54 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3mgh h ALA 510 Cb 1.33 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3mgh h ALA 510 CO 0.53 -0.14 0.23 0.45 0.00 0.00 0.00 179.25 180.31 3mgh h HIS 511 N 0.54 0.64 0.11 0.00 3.86 -1.94 -1.47 115.15 116.89 3mgh h HIS 511 Ca 0.43 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 3mgh h HIS 511 Cb 0.61 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3mgh h HIS 511 CO -0.13 0.51 -0.10 0.35 0.86 0.00 0.00 177.93 179.43 3mgh h PHE 512 N 0.59 -0.25 -0.60 2.45 3.04 -1.34 -2.01 116.94 118.82 3mgh h PHE 512 Ca 0.16 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.23 3mgh h PHE 512 Cb 0.10 0.10 -0.10 0.00 2.56 0.00 0.00 35.95 38.60 3mgh h PHE 512 CO -0.01 -0.15 -0.04 -0.91 -2.02 0.00 0.00 178.31 175.17 3mgh h ASN 513 N -0.22 -0.35 -0.26 0.41 2.35 -0.42 -0.05 115.58 117.04 3mgh h ASN 513 Ca 0.00 0.16 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 3mgh h ASN 513 Cb 0.21 0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.84 3mgh h ASN 513 CO -0.02 -0.14 0.04 -0.09 -1.65 0.00 0.00 177.43 175.57 3mgh h ARG 514 N 0.08 0.13 -0.09 0.81 2.43 -1.02 0.56 114.38 117.28 3mgh h ARG 514 Ca 0.31 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3mgh h ARG 514 Cb 0.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3mgh h ARG 514 CO -0.54 0.09 -0.11 0.77 -1.51 0.00 0.00 179.97 178.66 3mgh h SER 515 N 0.13 0.13 -0.09 -3.80 0.02 -0.61 -1.29 113.55 108.04 3mgh h SER 515 Ca 0.12 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 3mgh h SER 515 Cb 0.13 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3mgh h SER 515 CO -0.17 0.26 -0.61 0.24 -1.14 0.00 0.00 176.83 175.41 3mgh h MET 516 N 0.13 0.70 -0.25 3.45 2.86 0.01 -1.90 114.93 119.94 3mgh h MET 516 Ca 0.03 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.17 3mgh h MET 516 Cb 0.28 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3mgh h MET 516 CO 0.02 1.10 0.10 0.00 1.06 0.00 0.00 176.91 179.19 3mgh h ARG 517 N 0.52 0.37 -0.84 1.72 3.08 -0.28 -1.32 114.38 117.64 3mgh h ARG 517 Ca -0.01 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3mgh h ARG 517 Cb 1.20 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 3mgh h ARG 517 CO 0.12 0.42 0.42 0.00 -1.07 0.00 0.00 179.97 179.87 3mgh h ALA 518 N 0.94 1.16 0.33 0.04 0.00 -1.26 0.15 119.26 120.61 3mgh h ALA 518 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3mgh h ALA 518 Cb 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mgh h ALA 518 CO -0.01 0.65 -0.16 1.25 0.00 0.00 0.00 179.25 180.98 3mgh h LEU 519 N 1.19 -0.37 -0.85 0.00 5.85 -1.28 -2.58 115.31 117.27 3mgh h LEU 519 Ca 0.29 -0.08 0.21 0.00 0.84 0.00 0.00 57.88 59.14 3mgh h LEU 519 Cb 0.08 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.08 3mgh h LEU 519 CO -0.04 -0.15 0.29 0.00 -0.34 0.00 0.00 178.44 178.21 3mgh h ALA 520 N 0.03 1.27 -0.90 1.25 0.00 -0.88 0.18 119.26 120.22 3mgh h ALA 520 Ca -0.05 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3mgh h ALA 520 Cb 0.43 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3mgh h ALA 520 CO 0.07 -0.38 0.58 -0.22 0.00 0.00 0.00 179.25 179.31 3mgh h LYS 521 N 0.31 1.08 0.00 0.00 3.64 -0.36 0.17 116.57 121.41 3mgh h LYS 521 Ca 0.52 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.82 3mgh h LYS 521 Cb 0.99 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3mgh h LYS 521 CO -0.56 0.71 -0.09 1.79 -2.27 0.00 0.00 179.45 179.03 3mgh h THR 522 N 1.11 0.66 -0.51 1.00 1.35 -0.24 -2.22 112.91 114.07 3mgh h THR 522 Ca 0.36 -0.36 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 3mgh h THR 522 Cb 0.03 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.65 3mgh h THR 522 CO -0.13 0.09 0.06 0.29 -0.25 0.00 0.00 175.52 175.58 3mgh n LYS 523 N -3.85 3.95 -0.98 4.72 4.76 -0.40 -4.88 118.16 121.47 3mgh n LYS 523 Ca -0.02 -2.56 0.00 0.00 -2.87 0.00 0.00 58.31 52.86 3mgh n LYS 523 Cb 0.18 -2.11 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 3mgh n LYS 523 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mgh n GLY 524 N 0.36 0.25 3.73 0.72 0.00 -0.83 -4.99 105.19 104.42 3mgh n GLY 524 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 3mgh n GLY 524 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mgh s MET 525 N -1.02 2.34 0.05 1.61 -1.94 0.46 -1.65 119.30 119.14 3mgh s MET 525 Ca 0.00 -1.59 0.07 0.00 -1.71 0.00 0.00 55.69 52.46 3mgh s MET 525 Cb 0.00 -2.14 -0.03 0.00 2.01 0.00 0.00 34.83 34.67 3mgh s MET 525 CO 0.00 0.09 -0.18 -1.54 -0.01 0.00 0.00 175.02 173.37 3mgh s SER 526 N -3.84 2.20 -0.10 3.03 1.04 -0.84 -2.03 113.70 113.15 3mgh s SER 526 Ca 0.38 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.28 3mgh s SER 526 Cb -0.02 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.96 3mgh s SER 526 CO 0.22 0.09 -0.12 -0.22 0.98 0.00 0.00 173.24 174.20 3mgh s LEU 527 N -1.32 1.52 0.00 2.42 2.96 -1.26 -1.76 118.68 121.24 3mgh s LEU 527 Ca 0.05 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3mgh s LEU 527 Cb -0.09 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 3mgh s LEU 527 CO 0.02 -0.03 0.11 -1.54 -1.32 0.00 0.00 176.35 173.60 3mgh n SER 528 N 4.37 1.51 0.05 3.68 3.41 -0.91 -4.79 113.62 120.94 3mgh n SER 528 Ca -0.18 -3.00 0.07 0.00 -0.26 0.00 0.00 58.87 55.50 3mgh n SER 528 Cb 0.51 0.86 0.33 0.00 -0.26 0.00 0.00 64.21 65.65 3mgh n SER 528 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3mgh n GLU 529 N -0.89 0.06 -0.12 4.33 0.28 -1.26 -3.33 120.64 119.71 3mgh n GLU 529 Ca -0.07 0.36 -0.15 0.00 -0.16 0.00 0.00 57.16 57.14 3mgh n GLU 529 Cb 0.57 -1.63 -0.13 0.00 1.43 0.00 0.00 31.44 31.68 3mgh n GLU 529 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3mgh n HIS 530 N -1.75 0.00 -3.54 -1.84 8.25 -1.26 -1.89 115.22 113.18 3mgh n HIS 530 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 3mgh n HIS 530 Cb 0.15 -0.97 -0.04 0.00 1.12 0.00 0.00 29.99 30.25 3mgh n HIS 530 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mgh s ALA 531 N -2.49 -1.87 -0.18 -1.41 0.00 -1.21 -4.62 121.76 109.98 3mgh s ALA 531 Ca -0.28 1.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 3mgh s ALA 531 Cb 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3mgh s ALA 531 CO 0.64 -0.44 0.40 -1.17 0.00 0.00 0.00 175.76 175.19 3mgh s LEU 532 N -1.57 4.19 0.07 0.00 2.96 -1.26 -2.15 118.68 120.92 3mgh s LEU 532 Ca -0.01 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 3mgh s LEU 532 Cb -0.01 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 3mgh s LEU 532 CO -0.01 -0.04 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.47 3mgh s SER 533 N 0.89 0.98 0.77 3.68 0.01 -0.72 -0.98 113.70 118.33 3mgh s SER 533 Ca 0.20 -0.78 -0.11 0.00 1.31 0.00 0.00 55.95 56.57 3mgh s SER 533 Cb -0.15 0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.21 3mgh s SER 533 CO 0.08 -0.34 1.10 0.28 0.41 0.00 0.00 173.24 174.77 3mgh s THR 534 N -2.54 3.15 0.81 1.44 -1.32 0.48 -1.99 115.64 115.66 3mgh s THR 534 Ca 0.01 0.40 -0.15 0.00 -1.21 0.00 0.00 61.69 60.74 3mgh s THR 534 Cb -0.02 -2.84 0.01 0.00 -1.51 0.00 0.00 72.50 68.15 3mgh s THR 534 CO -0.02 -0.47 0.68 0.00 -2.21 0.00 0.00 174.62 172.60 3mgh n ALA 535 N -3.44 -1.39 -2.09 11.08 0.00 -0.66 -4.05 120.51 119.96 3mgh n ALA 535 Ca 0.10 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.88 3mgh n ALA 535 Cb 0.53 -1.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 3mgh n ALA 535 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mgh s VAL 536 N -2.09 4.79 0.20 0.00 -7.23 -1.26 -4.13 120.40 110.68 3mgh s VAL 536 Ca 0.65 0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 61.10 3mgh s VAL 536 Cb -0.30 -3.83 -0.08 0.00 0.56 0.00 0.00 36.38 32.73 3mgh s VAL 536 CO 0.58 -0.88 0.95 -0.69 -0.31 0.00 0.00 175.10 174.76 3mgh s VAL 537 N -2.81 4.20 0.00 1.32 1.01 -0.34 -4.95 120.40 118.83 3mgh s VAL 537 Ca 0.51 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.55 3mgh s VAL 537 Cb -0.10 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3mgh s VAL 537 CO 0.44 0.43 0.00 0.54 0.00 0.00 0.00 175.10 176.51 3mgh n ARG 538 N 1.94 1.76 0.11 2.72 1.74 -1.26 0.40 116.66 124.07 3mgh n ARG 538 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3mgh n ARG 538 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 3mgh n ARG 538 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mgh n ASN 539 N 0.00 0.12 0.00 0.55 5.03 -1.26 -4.65 115.26 115.05 3mgh n ASN 539 Ca 0.00 0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.83 3mgh n ASN 539 Cb 0.00 0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 3mgh n ASN 539 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mgh s LYS 544 N 0.00 0.29 -0.03 0.00 -2.85 -1.26 -5.05 119.74 110.84 3mgh s LYS 544 Ca 0.00 0.27 0.05 0.00 -1.00 0.00 0.00 55.97 55.29 3mgh s LYS 544 Cb 0.00 0.13 0.07 0.00 -2.06 0.00 0.00 37.83 35.97 3mgh s LYS 544 CO 0.00 -0.54 0.94 1.33 0.10 0.00 0.00 175.35 177.17 3mgh n VAL 545 N 5.19 0.91 0.00 1.79 0.24 0.16 -4.96 118.33 121.66 3mgh n VAL 545 Ca 0.08 -1.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 3mgh n VAL 545 Cb 0.57 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 3mgh n VAL 545 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mgh n GLY 546 N -0.57 1.81 3.74 7.63 0.00 -1.19 -4.92 105.19 111.69 3mgh n GLY 546 Ca 0.04 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 3mgh n GLY 546 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mgh s PRO 547 N -1.97 2.24 0.75 1.61 0.02 -1.26 -1.19 135.00 135.19 3mgh s PRO 547 Ca 0.00 1.55 -0.08 0.00 0.02 0.00 0.00 61.00 62.48 3mgh s PRO 547 Cb 0.00 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.73 3mgh s PRO 547 CO 0.00 -1.71 1.08 0.20 -0.33 0.00 0.00 177.00 176.23 3mgh s GLY 548 N -2.44 1.67 0.21 0.52 0.00 -1.26 -4.46 107.32 101.56 3mgh s GLY 548 Ca 0.70 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 44.21 3mgh s GLY 548 CO 0.47 -0.45 1.11 -1.60 0.00 0.00 0.00 173.10 172.63 3mgh s ARG 549 N -5.37 4.60 0.05 2.90 6.06 -1.26 -4.74 118.95 121.19 3mgh s ARG 549 Ca 0.62 1.76 -0.30 0.00 -2.50 0.00 0.00 55.73 55.31 3mgh s ARG 549 Cb -0.10 -3.25 -0.04 0.00 0.06 0.00 0.00 34.95 31.62 3mgh s ARG 549 CO 0.46 0.10 0.99 0.08 -2.50 0.00 0.00 175.30 174.42 3mgh s VAL 550 N -0.47 4.68 -0.29 7.11 1.01 -1.26 -0.39 120.40 130.78 3mgh s VAL 550 Ca 0.48 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 64.33 3mgh s VAL 550 Cb -0.30 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 3mgh s VAL 550 CO 0.37 0.22 0.45 -0.76 0.00 0.00 0.00 175.10 175.38 3mgh s LEU 551 N 0.61 4.15 0.10 3.92 1.43 -0.15 -4.95 118.68 123.77 3mgh s LEU 551 Ca 0.50 0.25 -0.34 0.00 -1.03 0.00 0.00 54.13 53.51 3mgh s LEU 551 Cb -0.22 -2.53 -0.14 0.00 0.03 0.00 0.00 46.19 43.33 3mgh s LEU 551 CO 0.29 -0.30 1.63 -2.65 0.23 0.00 0.00 176.35 175.55 3mgh n PRO 552 N 5.51 2.09 -3.44 1.29 -0.02 -1.26 -4.54 135.00 134.62 3mgh n PRO 552 Ca -0.06 0.76 -0.28 0.00 -2.02 0.00 0.00 63.50 61.90 3mgh n PRO 552 Cb 0.50 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 3mgh n PRO 552 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mgh s THR 553 N 1.62 0.40 0.50 3.45 -4.23 -1.26 -4.96 115.64 111.15 3mgh s THR 553 Ca 0.82 -2.42 0.18 0.00 -1.18 0.00 0.00 61.69 59.09 3mgh s THR 553 Cb -0.70 -1.29 0.25 0.00 1.34 0.00 0.00 72.50 72.10 3mgh s THR 553 CO 0.42 -1.15 2.10 -0.65 -0.54 0.00 0.00 174.62 174.80 3mgh h PRO 554 N 6.07 0.00 -4.69 3.99 0.11 -1.92 -3.38 132.00 132.18 3mgh h PRO 554 Ca 0.19 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.06 3mgh h PRO 554 Cb 0.92 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.89 3mgh h PRO 554 CO 0.35 0.08 -0.68 0.95 -0.21 0.00 0.00 178.00 178.49 3mgh s THR 555 N -4.79 0.61 0.24 -1.15 -4.23 -1.26 -4.39 115.64 100.68 3mgh s THR 555 Ca -0.04 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 3mgh s THR 555 Cb 0.16 -1.92 0.23 0.00 1.34 0.00 0.00 72.50 72.31 3mgh s THR 555 CO 0.66 -0.65 1.90 -0.33 -0.54 0.00 0.00 174.62 175.66 3mgh h GLU 556 N 2.83 1.17 -0.88 3.99 5.08 -1.87 -1.95 114.58 122.94 3mgh h GLU 556 Ca -0.36 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.02 3mgh h GLU 556 Cb 1.19 -0.26 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 3mgh h GLU 556 CO 0.63 0.77 0.53 0.87 -1.00 0.00 0.00 179.01 180.81 3mgh h LYS 557 N 1.20 0.88 -0.66 2.33 1.57 -1.97 0.19 116.57 120.12 3mgh h LYS 557 Ca 0.36 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.22 3mgh h LYS 557 Cb -0.04 -0.20 -0.09 0.00 0.08 0.00 0.00 32.23 31.97 3mgh h LYS 557 CO -0.11 0.58 0.15 -0.44 -0.57 0.00 0.00 179.45 179.07 3mgh h ASP 558 N 0.91 0.02 -0.59 0.86 3.32 -1.74 0.66 116.42 119.86 3mgh h ASP 558 Ca 0.41 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.58 3mgh h ASP 558 Cb 0.31 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3mgh h ASP 558 CO -0.22 0.00 0.35 0.58 -1.72 0.00 0.00 179.24 178.23 3mgh h VAL 559 N 0.28 1.18 -0.38 -1.35 2.07 -0.91 -0.53 116.25 116.61 3mgh h VAL 559 Ca 0.35 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3mgh h VAL 559 Cb 0.55 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3mgh h VAL 559 CO -0.44 0.18 -0.01 -0.26 0.02 0.00 0.00 177.57 177.07 3mgh h PHE 560 N 0.80 0.74 0.05 1.57 -1.00 -1.08 -2.89 116.94 115.14 3mgh h PHE 560 Ca 0.21 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.87 3mgh h PHE 560 Cb -0.01 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 3mgh h PHE 560 CO -0.02 0.77 -0.10 -0.09 -1.61 0.00 0.00 178.31 177.26 3mgh h ARG 561 N 0.49 -0.19 -0.00 1.51 2.43 -0.60 -0.10 114.38 117.93 3mgh h ARG 561 Ca 0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3mgh h ARG 561 Cb 0.48 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3mgh h ARG 561 CO 0.02 -0.13 0.00 -0.07 -1.51 0.00 0.00 179.97 178.29 3mgh h LEU 562 N -0.20 0.00 -2.87 3.80 3.38 -1.06 0.17 115.31 118.52 3mgh h LEU 562 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3mgh h LEU 562 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3mgh h LEU 562 CO -0.06 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.65 3mgh n LEU 563 N -3.19 4.43 -3.71 1.67 4.77 -0.87 -4.94 117.00 115.16 3mgh n LEU 563 Ca -0.03 -2.24 -0.22 0.00 -0.03 0.00 0.00 56.01 53.49 3mgh n LEU 563 Cb 0.08 -0.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.63 3mgh n LEU 563 CO 0.21 0.70 -0.09 0.61 -1.33 0.00 0.00 177.39 177.49 3mgh n GLY 564 N 0.96 -0.37 2.91 -0.72 0.00 0.59 -4.99 105.19 103.56 3mgh n GLY 564 Ca 0.23 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 3mgh n GLY 564 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mgh s LEU 565 N -6.64 2.04 0.39 0.99 2.96 -0.10 -5.03 118.68 113.28 3mgh s LEU 565 Ca 0.05 -0.09 -0.25 0.00 -0.22 0.00 0.00 54.13 53.62 3mgh s LEU 565 Cb -0.02 -0.05 -0.09 0.00 0.50 0.00 0.00 46.19 46.53 3mgh s LEU 565 CO 0.82 -0.02 1.11 -2.16 -1.32 0.00 0.00 176.35 174.78 3mgh s PRO 566 N -0.23 4.16 0.19 0.98 0.04 -1.26 -3.62 135.00 135.25 3mgh s PRO 566 Ca -0.02 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 3mgh s PRO 566 Cb -0.02 -2.68 -0.10 0.00 0.04 0.00 0.00 34.50 31.75 3mgh s PRO 566 CO -0.00 -0.19 1.47 -0.47 0.04 0.00 0.00 177.00 177.85 3mgh s TYR 567 N -1.48 3.10 -0.18 0.56 6.14 -1.26 -4.98 117.35 119.25 3mgh s TYR 567 Ca 0.56 0.87 -0.00 0.00 0.64 0.00 0.00 57.07 59.14 3mgh s TYR 567 Cb -0.27 -3.82 0.01 0.00 0.42 0.00 0.00 41.96 38.30 3mgh s TYR 567 CO 0.34 -2.84 -0.15 1.03 0.64 0.00 0.00 175.55 174.57 3mgh s ARG 568 N 0.51 3.14 0.75 4.97 0.52 -1.26 -5.11 118.95 122.48 3mgh s ARG 568 Ca 0.64 -0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 54.96 3mgh s ARG 568 Cb -0.41 -2.68 0.05 0.00 0.52 0.00 0.00 34.95 32.43 3mgh s ARG 568 CO 0.36 -0.13 1.15 -1.21 0.02 0.00 0.00 175.30 175.49 3mgh s GLU 569 N 1.17 2.10 0.33 3.54 2.02 -1.26 -4.86 118.70 121.74 3mgh s GLU 569 Ca 0.01 1.54 0.12 0.00 0.02 0.00 0.00 54.97 56.66 3mgh s GLU 569 Cb -0.14 -1.85 1.02 0.00 0.10 0.00 0.00 34.13 33.26 3mgh s GLU 569 CO -0.06 -1.82 1.63 -1.35 0.02 0.00 0.00 175.26 173.68 3mgh h PRO 570 N -0.64 0.17 0.00 0.39 0.11 -1.94 0.21 132.00 130.29 3mgh h PRO 570 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mgh h PRO 570 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mgh h PRO 570 CO 0.49 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 3mgh n ALA 571 N -2.49 1.52 -0.52 -0.75 0.00 -1.26 -1.97 120.51 115.05 3mgh n ALA 571 Ca 0.30 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.86 3mgh n ALA 571 Cb 0.96 -1.29 0.27 0.00 0.00 0.00 0.00 19.45 19.39 3mgh n ALA 571 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mgh n GLU 572 N -1.92 3.19 -1.73 0.00 1.02 0.74 -4.60 120.64 117.35 3mgh n GLU 572 Ca 0.02 -2.58 -0.27 0.00 -0.02 0.00 0.00 57.16 54.31 3mgh n GLU 572 Cb 0.16 -1.64 0.05 0.00 -0.02 0.00 0.00 31.44 29.99 3mgh n GLU 572 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mgh n ARG 573 N 0.65 3.22 0.20 3.49 1.74 -0.83 -4.62 116.66 120.51 3mgh n ARG 573 Ca 0.20 -3.82 0.04 0.00 -0.77 0.00 0.00 57.85 53.51 3mgh n ARG 573 Cb 0.71 -2.27 0.42 0.00 -1.02 0.00 0.00 32.46 30.30 3mgh n ARG 573 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3mgh h ASP 574 N 2.07 0.00 0.00 0.55 3.45 -1.81 -1.78 116.42 118.90 3mgh h ASP 574 Ca 0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.91 3mgh h ASP 574 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 3mgh h ASP 574 CO 1.05 0.31 0.00 -2.67 -1.57 0.00 0.00 179.24 176.36