#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml6 s LYS 303 N 0.00 4.79 0.59 1.61 1.02 -1.26 -4.95 119.74 121.54 1ml6 s LYS 303 Ca 0.00 1.56 -0.19 0.00 0.02 0.00 0.00 55.97 57.36 1ml6 s LYS 303 Cb 0.00 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1ml6 s LYS 303 CO 0.00 0.43 1.24 -2.14 -0.92 0.00 0.00 175.35 173.96 1ml6 s PRO 304 N -1.30 2.94 -0.18 -1.68 0.02 -1.26 -4.77 135.00 128.77 1ml6 s PRO 304 Ca 0.42 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.35 1ml6 s PRO 304 Cb -0.27 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1ml6 s PRO 304 CO 0.34 -1.25 -0.13 0.08 -0.33 0.00 0.00 177.00 175.70 1ml6 s VAL 305 N -1.52 2.70 -0.27 3.83 1.01 -0.62 -1.52 120.40 124.02 1ml6 s VAL 305 Ca 0.77 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1ml6 s VAL 305 Cb -0.33 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1ml6 s VAL 305 CO 0.36 0.49 0.25 -0.76 0.00 0.00 0.00 175.10 175.44 1ml6 s LEU 306 N 1.15 4.04 -0.40 3.92 1.43 -0.11 -1.03 118.68 127.68 1ml6 s LEU 306 Ca 0.01 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1ml6 s LEU 306 Cb -0.14 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.88 1ml6 s LEU 306 CO -0.05 -0.08 0.25 -1.00 0.23 0.00 0.00 176.35 175.71 1ml6 s HIS 307 N 1.74 3.25 0.29 0.29 3.76 0.22 -1.28 115.29 123.56 1ml6 s HIS 307 Ca 0.10 -0.93 -0.20 0.00 -0.15 0.00 0.00 55.06 53.89 1ml6 s HIS 307 Cb -0.16 -2.59 0.05 0.00 1.11 0.00 0.00 32.58 30.99 1ml6 s HIS 307 CO 0.10 -0.67 0.83 -0.47 -0.85 0.00 0.00 174.74 173.68 1ml6 s TYR 308 N 1.58 -0.02 0.91 1.40 5.04 -1.22 -2.73 117.35 122.30 1ml6 s TYR 308 Ca 0.03 -0.49 -0.12 0.00 -2.44 0.00 0.00 57.07 54.05 1ml6 s TYR 308 Cb -0.20 0.75 0.13 0.00 0.35 0.00 0.00 41.96 42.99 1ml6 s TYR 308 CO 0.07 -1.26 1.10 -0.06 -1.34 0.00 0.00 175.55 174.06 1ml6 s PHE 309 N -2.94 2.37 -1.33 4.97 0.08 -1.26 -1.44 117.98 118.43 1ml6 s PHE 309 Ca 0.14 1.13 -0.13 0.00 0.12 0.00 0.00 56.93 58.19 1ml6 s PHE 309 Cb -0.04 -3.20 0.11 0.00 -0.57 0.00 0.00 43.02 39.31 1ml6 s PHE 309 CO 0.08 -2.41 1.87 -1.71 -0.10 0.00 0.00 175.22 172.95 1ml6 n ASN 310 N -3.87 4.72 -3.46 1.36 2.85 -1.26 -4.77 115.26 110.83 1ml6 n ASN 310 Ca 0.06 -2.96 -0.06 0.00 -0.11 0.00 0.00 54.58 51.51 1ml6 n ASN 310 Cb 0.56 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.98 1ml6 n ASN 310 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ml6 s ALA 311 N 2.25 -1.23 0.00 5.20 0.00 -1.26 -5.06 121.76 121.65 1ml6 s ALA 311 Ca 0.45 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1ml6 s ALA 311 Cb 0.07 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1ml6 s ALA 311 CO -0.01 -1.03 0.64 0.54 0.00 0.00 0.00 175.76 175.91 1ml6 n ARG 312 N -0.53 0.00 0.00 0.00 1.74 -1.26 -4.71 116.66 111.90 1ml6 n ARG 312 Ca -0.06 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1ml6 n ARG 312 Cb 0.60 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 1ml6 n ARG 312 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ml6 n GLY 313 N -0.15 1.64 0.15 -0.13 0.00 -1.26 -1.64 105.19 103.80 1ml6 n GLY 313 Ca 0.00 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.72 1ml6 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml6 n ARG 314 N 8.11 0.83 0.04 1.61 1.74 -1.26 -3.87 116.66 123.85 1ml6 n ARG 314 Ca 0.00 -0.30 -0.03 0.00 -0.77 0.00 0.00 57.85 56.75 1ml6 n ARG 314 Cb 0.00 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.86 1ml6 n ARG 314 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1ml6 h MET 315 N 0.73 0.00 -1.01 5.56 4.05 -1.76 -3.38 114.93 119.12 1ml6 h MET 315 Ca 0.00 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 1ml6 h MET 315 Cb 0.34 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.05 1ml6 h MET 315 CO 0.00 0.49 0.63 1.49 0.23 0.00 0.00 176.91 179.75 1ml6 h GLU 316 N 0.00 0.90 0.00 0.39 4.57 -1.42 0.88 114.58 119.90 1ml6 h GLU 316 Ca -0.15 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 1ml6 h GLU 316 Cb 1.71 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 1ml6 h GLU 316 CO 0.07 0.59 -0.26 0.00 -1.18 0.00 0.00 179.01 178.24 1ml6 h ILE 318 N 0.00 1.31 -0.29 0.00 2.04 -1.12 -2.07 117.51 117.38 1ml6 h ILE 318 Ca -0.00 -2.16 0.03 0.00 1.00 0.00 0.00 64.86 63.73 1ml6 h ILE 318 Cb 0.48 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 1ml6 h ILE 318 CO 0.03 0.66 0.10 0.03 0.00 0.00 0.00 178.15 178.98 1ml6 h ARG 319 N 0.30 0.22 -0.39 2.37 3.08 -0.42 -1.35 114.38 118.20 1ml6 h ARG 319 Ca -0.11 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.96 1ml6 h ARG 319 Cb 1.57 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.53 1ml6 h ARG 319 CO 0.18 0.15 0.19 -1.49 -1.07 0.00 0.00 179.97 177.92 1ml6 h TRP 320 N 0.23 0.35 -0.53 3.04 4.06 -0.96 0.05 115.95 122.18 1ml6 h TRP 320 Ca 0.13 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.05 1ml6 h TRP 320 Cb 0.10 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 1ml6 h TRP 320 CO -0.13 0.18 0.15 1.25 -3.56 0.00 0.00 178.44 176.33 1ml6 h LEU 321 N 0.39 0.78 -0.54 -4.49 5.85 -0.96 0.10 115.31 116.44 1ml6 h LEU 321 Ca 0.16 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1ml6 h LEU 321 Cb 0.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1ml6 h LEU 321 CO -0.12 0.79 0.09 -0.07 -0.34 0.00 0.00 178.44 178.80 1ml6 h LEU 322 N 0.74 0.85 -0.36 2.25 3.38 -1.04 -1.69 115.31 119.45 1ml6 h LEU 322 Ca 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ml6 h LEU 322 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ml6 h LEU 322 CO -0.00 0.89 0.20 0.00 0.09 0.00 0.00 178.44 179.62 1ml6 h ALA 323 N 0.99 0.46 -0.43 1.53 0.00 -0.68 0.15 119.26 121.28 1ml6 h ALA 323 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ml6 h ALA 323 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ml6 h ALA 323 CO 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 179.25 179.36 1ml6 h ALA 324 N 1.06 1.38 0.00 0.00 0.00 -0.86 0.11 119.26 120.95 1ml6 h ALA 324 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ml6 h ALA 324 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ml6 h ALA 324 CO -0.02 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1ml6 n ALA 325 N -2.47 1.93 -1.67 0.00 0.00 -0.65 -4.81 120.51 112.85 1ml6 n ALA 325 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1ml6 n ALA 325 Cb 0.20 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1ml6 n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ml6 n GLY 326 N 0.45 0.41 3.65 0.00 0.00 0.37 -5.02 105.19 105.06 1ml6 n GLY 326 Ca 0.06 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 1ml6 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ml6 s VAL 327 N -2.18 5.30 0.19 1.61 1.01 0.45 -5.01 120.40 121.76 1ml6 s VAL 327 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1ml6 s VAL 327 Cb 0.00 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 1ml6 s VAL 327 CO 0.00 0.30 1.08 -1.61 0.00 0.00 0.00 175.10 174.87 1ml6 s GLU 328 N 1.28 4.62 0.13 2.72 2.02 -1.26 -4.33 118.70 123.88 1ml6 s GLU 328 Ca 0.11 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.80 1ml6 s GLU 328 Cb -0.14 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1ml6 s GLU 328 CO 0.06 0.12 0.01 -0.59 0.02 0.00 0.00 175.26 174.89 1ml6 s PHE 329 N -0.35 0.94 0.32 1.61 -0.12 -1.26 -4.08 117.98 115.04 1ml6 s PHE 329 Ca 0.48 -1.10 0.10 0.00 -0.05 0.00 0.00 56.93 56.36 1ml6 s PHE 329 Cb -0.29 -0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 41.50 1ml6 s PHE 329 CO 0.35 -0.35 -0.02 -1.21 -0.05 0.00 0.00 175.22 173.93 1ml6 s GLU 330 N -3.96 2.06 0.02 1.99 2.02 -0.58 -4.98 118.70 115.27 1ml6 s GLU 330 Ca 0.20 -1.69 0.04 0.00 0.02 0.00 0.00 54.97 53.54 1ml6 s GLU 330 Cb 0.07 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 1ml6 s GLU 330 CO 0.00 0.21 -0.12 -1.21 0.02 0.00 0.00 175.26 174.16 1ml6 s GLU 331 N -3.68 0.90 -0.31 1.61 2.02 -1.26 -0.93 118.70 117.04 1ml6 s GLU 331 Ca 0.33 -0.59 0.03 0.00 0.02 0.00 0.00 54.97 54.76 1ml6 s GLU 331 Cb -0.02 -0.87 0.09 0.00 0.10 0.00 0.00 34.13 33.43 1ml6 s GLU 331 CO 0.19 0.23 0.03 0.15 0.02 0.00 0.00 175.26 175.87 1ml6 s LYS 332 N -0.75 1.46 0.30 1.61 1.02 -0.40 -4.90 119.74 118.07 1ml6 s LYS 332 Ca 0.02 -1.57 -0.28 0.00 0.02 0.00 0.00 55.97 54.16 1ml6 s LYS 332 Cb -0.06 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.27 1ml6 s LYS 332 CO 0.00 -0.86 1.04 -0.06 -0.92 0.00 0.00 175.35 174.55 1ml6 s PHE 333 N 1.11 3.62 -0.47 3.18 0.08 -1.26 -3.42 117.98 120.82 1ml6 s PHE 333 Ca 0.06 1.75 -0.20 0.00 0.12 0.00 0.00 56.93 58.66 1ml6 s PHE 333 Cb -0.19 -3.16 0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1ml6 s PHE 333 CO -0.10 -0.28 0.63 0.42 -0.10 0.00 0.00 175.22 175.79 1ml6 s ILE 334 N -1.30 4.84 -0.30 0.64 1.01 -0.52 -4.89 121.20 120.69 1ml6 s ILE 334 Ca 0.47 -0.14 0.16 0.00 0.00 0.00 0.00 60.65 61.14 1ml6 s ILE 334 Cb -0.28 -4.24 -0.22 0.00 0.01 0.00 0.00 42.46 37.73 1ml6 s ILE 334 CO 0.35 -0.68 0.47 0.00 0.00 0.00 0.00 174.94 175.08 1ml6 n GLN 335 N 6.23 1.02 -3.84 2.79 6.02 -1.26 -4.36 117.38 123.98 1ml6 n GLN 335 Ca -0.04 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.77 1ml6 n GLN 335 Cb 0.47 -1.32 -0.08 0.00 1.02 0.00 0.00 30.24 30.33 1ml6 n GLN 335 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ml6 s SER 336 N -3.31 0.07 0.53 1.08 1.04 -1.26 -5.03 113.70 106.83 1ml6 s SER 336 Ca -0.01 -0.52 0.29 0.00 0.48 0.00 0.00 55.95 56.18 1ml6 s SER 336 Cb 0.11 0.32 1.44 0.00 0.10 0.00 0.00 66.02 67.99 1ml6 s SER 336 CO 0.66 -0.66 1.93 -0.65 0.98 0.00 0.00 173.24 175.50 1ml6 h PRO 337 N 3.03 0.01 -0.55 4.02 0.11 -1.96 0.13 132.00 136.79 1ml6 h PRO 337 Ca -0.33 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 1ml6 h PRO 337 Cb 1.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1ml6 h PRO 337 CO 0.53 0.01 0.09 0.93 -0.21 0.00 0.00 178.00 179.35 1ml6 h GLU 338 N 0.01 0.91 -0.19 1.05 3.07 -1.95 0.20 114.58 117.67 1ml6 h GLU 338 Ca 0.36 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1ml6 h GLU 338 Cb 1.41 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 1ml6 h GLU 338 CO -0.01 0.88 0.12 -0.44 -1.40 0.00 0.00 179.01 178.16 1ml6 h ASP 339 N 0.80 0.20 -0.40 1.42 3.32 -1.14 -0.12 116.42 120.50 1ml6 h ASP 339 Ca 0.17 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1ml6 h ASP 339 Cb 0.40 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1ml6 h ASP 339 CO 0.01 0.15 0.14 0.25 -1.72 0.00 0.00 179.24 178.07 1ml6 h LEU 340 N 0.25 0.57 -1.15 1.55 5.85 -1.28 -2.52 115.31 118.59 1ml6 h LEU 340 Ca 0.07 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1ml6 h LEU 340 Cb -0.02 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1ml6 h LEU 340 CO -0.03 0.60 0.58 -0.33 -0.34 0.00 0.00 178.44 178.93 1ml6 h GLU 341 N 0.50 1.07 -0.70 1.25 4.39 -0.29 -2.15 114.58 118.66 1ml6 h GLU 341 Ca 0.13 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1ml6 h GLU 341 Cb 0.23 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1ml6 h GLU 341 CO -0.01 0.71 0.16 -0.22 -1.16 0.00 0.00 179.01 178.49 1ml6 h LYS 342 N 1.11 1.13 -0.56 2.33 3.64 -0.74 -0.80 116.57 122.67 1ml6 h LYS 342 Ca 0.35 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1ml6 h LYS 342 Cb 0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1ml6 h LYS 342 CO -0.11 1.00 0.30 -0.07 -2.27 0.00 0.00 179.45 178.30 1ml6 h LEU 343 N 1.06 0.71 0.19 5.20 3.38 -0.98 -1.23 115.31 123.64 1ml6 h LEU 343 Ca 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ml6 h LEU 343 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ml6 h LEU 343 CO 0.01 0.60 -0.09 0.11 0.09 0.00 0.00 178.44 179.16 1ml6 h LYS 344 N 0.75 -0.25 -0.93 1.13 1.57 -1.13 -2.15 116.57 115.56 1ml6 h LYS 344 Ca 0.20 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1ml6 h LYS 344 Cb 0.06 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1ml6 h LYS 344 CO -0.03 -0.03 0.60 0.87 -0.57 0.00 0.00 179.45 180.29 1ml6 h LYS 345 N -0.44 1.11 0.00 3.15 1.57 -1.07 -1.85 116.57 119.05 1ml6 h LYS 345 Ca -0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1ml6 h LYS 345 Cb 0.33 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ml6 h LYS 345 CO 0.04 0.74 0.00 -0.25 -0.57 0.00 0.00 179.45 179.41 1ml6 n ASP 346 N -4.51 0.00 -0.99 0.86 9.92 -0.47 -4.84 116.55 116.51 1ml6 n ASP 346 Ca 0.13 -1.10 -0.11 0.00 -0.53 0.00 0.00 54.79 53.18 1ml6 n ASP 346 Cb 0.12 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.57 1ml6 n ASP 346 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ml6 n GLY 347 N 0.24 0.67 0.01 0.44 0.00 -0.69 -4.95 105.19 100.92 1ml6 n GLY 347 Ca 0.06 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1ml6 n GLY 347 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ml6 n ASN 348 N 0.13 0.42 -4.03 1.61 3.02 -0.81 -4.72 115.26 110.88 1ml6 n ASN 348 Ca -0.12 0.03 -0.31 0.00 -0.03 0.00 0.00 54.58 54.15 1ml6 n ASN 348 Cb 0.46 0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.48 1ml6 n ASN 348 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ml6 s LEU 349 N -3.26 3.45 0.34 3.41 1.43 -1.25 -4.89 118.68 117.90 1ml6 s LEU 349 Ca 0.11 -1.47 0.11 0.00 -1.03 0.00 0.00 54.13 51.84 1ml6 s LEU 349 Cb 0.17 -1.47 0.90 0.00 0.03 0.00 0.00 46.19 45.81 1ml6 s LEU 349 CO 0.66 -0.23 1.76 -0.03 0.23 0.00 0.00 176.35 178.73 1ml6 h MET 350 N 7.79 0.57 0.00 1.70 1.85 -1.86 -1.18 114.93 123.79 1ml6 h MET 350 Ca -0.16 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1ml6 h MET 350 Cb 1.04 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.94 1ml6 h MET 350 CO 0.46 0.38 -0.32 1.19 -0.40 0.00 0.00 176.91 178.22 1ml6 n PHE 351 N -4.78 0.00 -3.14 1.39 3.72 -1.26 -4.97 117.46 108.42 1ml6 n PHE 351 Ca 0.25 -1.29 -0.22 0.00 -0.05 0.00 0.00 57.45 56.15 1ml6 n PHE 351 Cb 0.72 -0.21 0.01 0.00 -0.94 0.00 0.00 39.48 39.06 1ml6 n PHE 351 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ml6 n ASP 352 N -1.21 -4.69 -4.13 4.37 8.00 -0.45 -4.97 116.55 113.47 1ml6 n ASP 352 Ca 0.18 -0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.27 1ml6 n ASP 352 Cb 0.68 -3.84 -0.10 0.00 -0.02 0.00 0.00 41.12 37.83 1ml6 n ASP 352 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1ml6 s GLN 353 N -5.80 0.71 0.38 -1.24 -0.21 -1.26 -5.01 119.66 107.23 1ml6 s GLN 353 Ca 0.32 -1.14 0.08 0.00 0.02 0.00 0.00 55.36 54.65 1ml6 s GLN 353 Cb -0.16 -0.18 -0.06 0.00 1.00 0.00 0.00 33.01 33.61 1ml6 s GLN 353 CO 0.40 -0.01 0.06 0.14 -2.12 0.00 0.00 175.29 173.76 1ml6 s VAL 354 N -2.94 2.36 0.50 1.09 -7.23 -1.26 -4.64 120.40 108.28 1ml6 s VAL 354 Ca 0.04 -1.90 -0.22 0.00 -1.81 0.00 0.00 61.98 58.09 1ml6 s VAL 354 Cb 0.01 -2.90 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 1ml6 s VAL 354 CO -0.04 -0.09 0.99 -2.65 -0.31 0.00 0.00 175.10 173.01 1ml6 n PRO 355 N -1.04 1.19 -3.80 4.82 -0.02 -1.26 -4.97 135.00 129.92 1ml6 n PRO 355 Ca -0.03 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1ml6 n PRO 355 Cb 0.64 -2.11 -0.15 0.00 -0.02 0.00 0.00 33.50 31.86 1ml6 n PRO 355 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1ml6 s MET 356 N -2.34 -0.00 -0.08 -0.52 1.75 -1.10 -3.68 119.30 113.33 1ml6 s MET 356 Ca 0.68 0.15 0.02 0.00 -1.25 0.00 0.00 55.69 55.30 1ml6 s MET 356 Cb -0.49 -0.15 0.01 0.00 2.84 0.00 0.00 34.83 37.05 1ml6 s MET 356 CO 0.53 -0.11 -0.13 0.08 -0.65 0.00 0.00 175.02 174.74 1ml6 s VAL 357 N 0.71 1.23 -0.39 10.11 1.01 0.18 -0.61 120.40 132.65 1ml6 s VAL 357 Ca -0.06 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 1ml6 s VAL 357 Cb -0.08 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1ml6 s VAL 357 CO -0.02 0.38 0.66 -1.61 0.00 0.00 0.00 175.10 174.51 1ml6 s GLU 358 N 0.80 3.55 -0.15 2.72 2.02 -0.20 -1.71 118.70 125.74 1ml6 s GLU 358 Ca -0.12 -0.06 -0.10 0.00 0.02 0.00 0.00 54.97 54.72 1ml6 s GLU 358 Cb -0.15 -3.86 0.05 0.00 0.10 0.00 0.00 34.13 30.27 1ml6 s GLU 358 CO 0.02 -0.85 0.38 -1.50 0.02 0.00 0.00 175.26 173.32 1ml6 s ILE 359 N 2.82 -0.02 -1.52 -1.63 2.07 -0.82 -1.59 121.20 120.51 1ml6 s ILE 359 Ca 0.25 0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 59.45 1ml6 s ILE 359 Cb -0.14 -0.55 0.08 0.00 0.13 0.00 0.00 42.46 41.98 1ml6 s ILE 359 CO 0.17 0.03 0.81 0.47 -1.91 0.00 0.00 174.94 174.50 1ml6 n ASP 360 N 3.82 -3.19 0.00 4.50 8.00 -1.26 -1.24 116.55 127.17 1ml6 n ASP 360 Ca -0.20 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1ml6 n ASP 360 Cb 0.56 -3.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.16 1ml6 n ASP 360 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ml6 n GLY 361 N -1.65 1.56 3.81 0.44 0.00 -1.26 -5.02 105.19 103.07 1ml6 n GLY 361 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1ml6 n GLY 361 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ml6 s MET 362 N -0.04 2.93 -0.76 1.61 -1.94 -0.38 -5.04 119.30 115.69 1ml6 s MET 362 Ca 0.00 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.14 1ml6 s MET 362 Cb 0.00 -2.66 0.19 0.00 2.01 0.00 0.00 34.83 34.36 1ml6 s MET 362 CO 0.00 0.48 0.59 0.15 -0.01 0.00 0.00 175.02 176.23 1ml6 s LYS 363 N -3.13 2.75 -0.11 2.03 1.02 -1.26 -1.94 119.74 119.09 1ml6 s LYS 363 Ca 0.31 -3.26 -0.28 0.00 0.02 0.00 0.00 55.97 52.77 1ml6 s LYS 363 Cb -0.10 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1ml6 s LYS 363 CO 0.24 -1.26 0.91 -1.17 -0.92 0.00 0.00 175.35 173.15 1ml6 s LEU 364 N -1.31 4.25 0.45 3.17 2.96 -0.69 -4.79 118.68 122.71 1ml6 s LEU 364 Ca 0.25 1.39 0.06 0.00 -0.22 0.00 0.00 54.13 55.61 1ml6 s LEU 364 Cb -0.07 -3.40 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 1ml6 s LEU 364 CO -0.14 -0.37 0.12 0.68 -1.32 0.00 0.00 176.35 175.32 1ml6 s VAL 365 N 1.81 1.93 0.00 1.68 -7.23 -1.26 -0.64 120.40 116.68 1ml6 s VAL 365 Ca 0.44 -1.81 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1ml6 s VAL 365 Cb -0.18 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1ml6 s VAL 365 CO 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.96 1ml6 n GLN 366 N -1.23 -0.03 -0.32 4.82 1.13 -1.24 -4.51 117.38 116.00 1ml6 n GLN 366 Ca -0.06 0.52 0.02 0.00 -1.94 0.00 0.00 57.00 55.55 1ml6 n GLN 366 Cb 0.66 -0.57 0.10 0.00 0.11 0.00 0.00 30.24 30.53 1ml6 n GLN 366 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1ml6 h THR 367 N 0.03 0.09 -0.43 5.09 2.02 -1.92 -1.14 112.91 116.66 1ml6 h THR 367 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1ml6 h THR 367 Cb 0.00 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1ml6 h THR 367 CO 0.00 0.00 -0.10 0.03 0.37 0.00 0.00 175.52 175.82 1ml6 h ARG 368 N -0.01 0.76 -0.62 6.66 3.08 -1.97 -1.02 114.38 121.25 1ml6 h ARG 368 Ca 0.40 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1ml6 h ARG 368 Cb 0.64 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1ml6 h ARG 368 CO -0.91 0.84 0.16 0.00 -1.07 0.00 0.00 179.97 178.99 1ml6 h ALA 369 N 1.20 0.81 -0.26 0.04 0.00 -1.51 0.52 119.26 120.05 1ml6 h ALA 369 Ca 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ml6 h ALA 369 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ml6 h ALA 369 CO 0.04 0.51 0.06 0.82 0.00 0.00 0.00 179.25 180.67 1ml6 h ILE 370 N 0.90 1.22 -0.58 0.00 2.04 -1.06 -1.92 117.51 118.11 1ml6 h ILE 370 Ca 0.20 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1ml6 h ILE 370 Cb 0.34 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1ml6 h ILE 370 CO -0.00 0.24 0.27 -0.07 0.00 0.00 0.00 178.15 178.59 1ml6 h LEU 371 N 0.25 0.76 -0.68 1.44 3.38 -1.04 -1.52 115.31 117.90 1ml6 h LEU 371 Ca 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1ml6 h LEU 371 Cb 0.30 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1ml6 h LEU 371 CO 0.00 0.69 0.25 0.78 0.09 0.00 0.00 178.44 180.25 1ml6 h ASN 372 N 0.79 0.96 -0.13 -0.43 2.35 -0.82 0.29 115.58 118.60 1ml6 h ASN 372 Ca 0.20 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1ml6 h ASN 372 Cb 0.13 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1ml6 h ASN 372 CO -0.02 0.88 0.03 0.22 -1.65 0.00 0.00 177.43 176.89 1ml6 h TYR 373 N 0.98 0.21 -0.59 1.19 3.20 -1.10 -1.89 116.97 118.98 1ml6 h TYR 373 Ca 0.23 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1ml6 h TYR 373 Cb 0.24 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1ml6 h TYR 373 CO 0.02 0.37 0.18 0.82 -1.64 0.00 0.00 178.16 177.91 1ml6 h ILE 374 N -0.00 1.24 -0.83 1.81 2.04 -1.13 0.03 117.51 120.66 1ml6 h ILE 374 Ca 0.04 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1ml6 h ILE 374 Cb 0.26 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1ml6 h ILE 374 CO 0.00 0.31 0.37 0.00 0.00 0.00 0.00 178.15 178.83 1ml6 h ALA 375 N 1.05 1.08 -0.11 1.87 0.00 -0.88 -1.57 119.26 120.70 1ml6 h ALA 375 Ca 0.19 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ml6 h ALA 375 Cb 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ml6 h ALA 375 CO -0.01 0.67 -0.09 1.15 0.00 0.00 0.00 179.25 180.97 1ml6 h THR 376 N 1.20 1.35 -0.98 0.00 2.02 -1.08 0.36 112.91 115.76 1ml6 h THR 376 Ca 0.28 -1.21 0.08 0.00 0.77 0.00 0.00 66.41 66.32 1ml6 h THR 376 Cb 0.16 1.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.40 1ml6 h THR 376 CO -0.03 0.35 0.63 0.50 0.37 0.00 0.00 175.52 177.33 1ml6 h LYS 377 N -0.13 1.07 -0.77 6.66 3.64 -0.80 -2.66 116.57 123.59 1ml6 h LYS 377 Ca 0.02 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 59.00 1ml6 h LYS 377 Cb 0.60 -0.24 -0.20 0.00 -0.41 0.00 0.00 32.23 31.97 1ml6 h LYS 377 CO 0.02 0.71 0.37 0.66 -2.27 0.00 0.00 179.45 178.95 1ml6 n TYR 378 N -4.55 2.43 -4.01 1.91 4.01 -0.61 -4.95 117.16 111.39 1ml6 n TYR 378 Ca 0.16 -1.55 -0.32 0.00 -0.16 0.00 0.00 57.90 56.03 1ml6 n TYR 378 Cb 0.22 -0.76 0.01 0.00 -0.31 0.00 0.00 39.34 38.50 1ml6 n TYR 378 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ml6 n ASP 379 N -0.79 -3.84 -0.81 7.72 8.00 -1.00 -4.87 116.55 120.97 1ml6 n ASP 379 Ca 0.47 -0.88 0.05 0.00 0.71 0.00 0.00 54.79 55.15 1ml6 n ASP 379 Cb 1.44 -3.45 0.22 0.00 -0.02 0.00 0.00 41.12 39.30 1ml6 n ASP 379 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ml6 n LEU 380 N -4.55 3.62 -0.65 0.64 4.77 0.12 -4.58 117.00 116.37 1ml6 n LEU 380 Ca 0.01 -3.30 0.05 0.00 -0.03 0.00 0.00 56.01 52.75 1ml6 n LEU 380 Cb 0.53 -0.55 0.20 0.00 -2.33 0.00 0.00 43.42 41.27 1ml6 n LEU 380 CO 0.79 0.89 0.58 0.00 -1.33 0.00 0.00 177.39 178.31 1ml6 n TYR 381 N -0.90 0.48 -3.22 -1.77 4.19 -1.14 -0.18 117.16 114.61 1ml6 n TYR 381 Ca 0.24 -1.26 0.01 0.00 3.31 0.00 0.00 57.90 60.21 1ml6 n TYR 381 Cb 0.88 -0.30 -0.00 0.00 0.49 0.00 0.00 39.34 40.41 1ml6 n TYR 381 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ml6 n GLY 382 N -1.09 -1.90 0.01 2.98 0.00 -1.26 -4.53 105.19 99.39 1ml6 n GLY 382 Ca 0.22 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.95 1ml6 n GLY 382 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ml6 n LYS 383 N -0.87 0.60 -4.10 1.61 2.85 -1.26 -5.01 118.16 111.98 1ml6 n LYS 383 Ca 0.00 -0.11 -0.14 0.00 -1.05 0.00 0.00 58.31 57.01 1ml6 n LYS 383 Cb 0.05 -1.32 -0.05 0.00 -0.65 0.00 0.00 35.03 33.06 1ml6 n LYS 383 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1ml6 s ASP 384 N -3.66 0.82 0.40 -5.58 1.47 -1.26 -5.05 116.67 103.82 1ml6 s ASP 384 Ca -0.05 -1.44 0.14 0.00 1.18 0.00 0.00 52.55 52.38 1ml6 s ASP 384 Cb 0.08 0.63 0.85 0.00 -0.34 0.00 0.00 42.92 44.14 1ml6 s ASP 384 CO 0.55 -1.23 1.89 0.00 0.68 0.00 0.00 175.17 177.06 1ml6 h MET 385 N 2.16 0.00 -0.30 2.11 -0.00 -1.97 -0.47 114.93 116.46 1ml6 h MET 385 Ca -0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.34 1ml6 h MET 385 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.83 1ml6 h MET 385 CO 0.39 0.30 -0.12 0.87 -0.00 0.00 0.00 176.91 178.35 1ml6 h LYS 386 N 0.00 0.61 -0.72 -0.10 1.79 -1.99 -0.45 116.57 115.70 1ml6 h LYS 386 Ca -0.00 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 58.14 1ml6 h LYS 386 Cb 0.53 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 1ml6 h LYS 386 CO 0.04 0.83 0.18 0.93 -1.08 0.00 0.00 179.45 180.35 1ml6 h GLU 387 N 0.37 1.15 -0.24 3.15 5.08 -1.88 -2.34 114.58 119.87 1ml6 h GLU 387 Ca 0.07 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1ml6 h GLU 387 Cb 0.63 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1ml6 h GLU 387 CO 0.04 1.01 -0.07 0.00 -1.00 0.00 0.00 179.01 178.99 1ml6 h ARG 388 N 1.09 0.38 -0.43 2.33 3.08 -0.91 -0.06 114.38 119.86 1ml6 h ARG 388 Ca 0.23 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1ml6 h ARG 388 Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1ml6 h ARG 388 CO 0.00 0.46 0.22 0.00 -1.07 0.00 0.00 179.97 179.59 1ml6 h ALA 389 N 1.57 0.55 -0.20 0.04 0.00 -0.55 0.27 119.26 120.95 1ml6 h ALA 389 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ml6 h ALA 389 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ml6 h ALA 389 CO 0.02 0.09 0.04 -0.07 0.00 0.00 0.00 179.25 179.34 1ml6 h LEU 390 N 0.56 0.30 -0.65 0.00 3.38 -1.14 -0.26 115.31 117.49 1ml6 h LEU 390 Ca 0.15 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ml6 h LEU 390 Cb 0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1ml6 h LEU 390 CO -0.02 0.46 0.40 0.40 0.09 0.00 0.00 178.44 179.77 1ml6 h ILE 391 N 0.13 1.06 -0.34 1.22 2.04 -0.79 -0.11 117.51 120.72 1ml6 h ILE 391 Ca 0.06 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1ml6 h ILE 391 Cb 0.28 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1ml6 h ILE 391 CO 0.00 0.14 -0.05 0.44 0.00 0.00 0.00 178.15 178.69 1ml6 h ASP 392 N 0.77 0.63 -0.35 1.72 3.32 -0.35 0.04 116.42 122.19 1ml6 h ASP 392 Ca 0.27 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1ml6 h ASP 392 Cb 0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1ml6 h ASP 392 CO -0.12 0.82 0.19 -0.03 -1.72 0.00 0.00 179.24 178.38 1ml6 h MET 393 N 0.42 0.49 -0.41 3.56 1.85 -0.75 -0.67 114.93 119.42 1ml6 h MET 393 Ca 0.09 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.08 1ml6 h MET 393 Cb 0.53 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.44 1ml6 h MET 393 CO 0.03 0.41 0.09 1.88 -0.40 0.00 0.00 176.91 178.92 1ml6 h TYR 394 N 0.45 0.70 -0.53 1.39 0.05 -0.95 -2.83 116.97 115.26 1ml6 h TYR 394 Ca 0.12 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.83 1ml6 h TYR 394 Cb 0.06 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1ml6 h TYR 394 CO -0.03 0.67 0.34 1.15 -1.05 0.00 0.00 178.16 179.24 1ml6 h THR 395 N 0.53 1.11 -0.85 -2.88 2.02 -0.78 -1.91 112.91 110.15 1ml6 h THR 395 Ca 0.13 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1ml6 h THR 395 Cb 0.33 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 1ml6 h THR 395 CO 0.00 0.12 0.46 -0.33 0.37 0.00 0.00 175.52 176.15 1ml6 h GLU 396 N 0.68 1.18 -0.53 6.66 4.39 -1.08 0.13 114.58 126.02 1ml6 h GLU 396 Ca 0.20 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1ml6 h GLU 396 Cb -0.05 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.35 1ml6 h GLU 396 CO -0.06 0.87 0.27 0.78 -1.16 0.00 0.00 179.01 179.71 1ml6 h GLY 397 N 1.18 0.80 0.98 -3.84 0.00 -1.22 -0.17 103.07 100.80 1ml6 h GLY 397 Ca 0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1ml6 h GLY 397 CO -0.05 0.36 0.24 -2.22 0.00 0.00 0.00 176.54 174.87 1ml6 h ILE 398 N 0.70 1.21 -0.46 2.60 2.04 -0.91 -2.06 117.51 120.64 1ml6 h ILE 398 Ca 0.18 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 1ml6 h ILE 398 Cb 0.08 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1ml6 h ILE 398 CO -0.03 0.24 -0.01 -0.07 0.00 0.00 0.00 178.15 178.28 1ml6 h LEU 399 N 0.72 0.73 -0.19 1.44 3.38 -0.48 -0.18 115.31 120.73 1ml6 h LEU 399 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ml6 h LEU 399 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ml6 h LEU 399 CO -0.02 0.80 0.13 0.44 0.09 0.00 0.00 178.44 179.88 1ml6 h ASP 400 N 0.71 0.22 -0.42 -0.43 3.32 -0.61 -1.38 116.42 117.82 1ml6 h ASP 400 Ca 0.14 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.03 1ml6 h ASP 400 Cb 0.45 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ml6 h ASP 400 CO 0.02 0.17 -0.33 0.25 -1.72 0.00 0.00 179.24 177.63 1ml6 h LEU 401 N 0.26 1.02 -0.88 1.55 5.85 -1.12 -2.05 115.31 119.94 1ml6 h LEU 401 Ca 0.07 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1ml6 h LEU 401 Cb -0.02 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 1ml6 h LEU 401 CO -0.02 1.24 0.54 0.74 -0.34 0.00 0.00 178.44 180.61 1ml6 h THR 402 N 0.80 1.03 -0.17 1.05 2.02 -0.89 -0.45 112.91 116.30 1ml6 h THR 402 Ca 0.08 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1ml6 h THR 402 Cb 0.92 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1ml6 h THR 402 CO 0.09 0.18 0.01 -0.08 0.37 0.00 0.00 175.52 176.08 1ml6 h GLU 403 N 0.98 0.30 -0.68 6.66 4.81 -1.04 0.13 114.58 125.73 1ml6 h GLU 403 Ca 0.39 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.59 1ml6 h GLU 403 Cb 0.20 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 1ml6 h GLU 403 CO -0.18 0.50 0.37 1.98 -0.73 0.00 0.00 179.01 180.94 1ml6 h MET 404 N 0.05 0.64 -0.09 1.92 4.05 -0.85 0.84 114.93 121.49 1ml6 h MET 404 Ca 0.05 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1ml6 h MET 404 Cb 0.36 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1ml6 h MET 404 CO 0.01 0.43 -0.15 0.82 0.23 0.00 0.00 176.91 178.25 1ml6 h ILE 405 N 0.66 1.39 -0.13 1.77 2.04 -0.96 -3.18 117.51 119.09 1ml6 h ILE 405 Ca 0.31 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 1ml6 h ILE 405 Cb 0.23 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1ml6 h ILE 405 CO -0.20 0.40 -0.01 1.23 0.00 0.00 0.00 178.15 179.56 1ml6 h GLY 406 N -0.19 0.20 2.00 5.37 0.00 -0.68 -2.44 103.07 107.34 1ml6 h GLY 406 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1ml6 h GLY 406 CO 0.03 0.09 -0.05 -1.61 0.00 0.00 0.00 176.54 175.00 1ml6 h GLN 407 N 0.19 0.00 -0.66 4.80 5.75 -0.82 -3.31 115.11 121.06 1ml6 h GLN 407 Ca 0.05 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.64 1ml6 h GLN 407 Cb 0.15 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.63 1ml6 h GLN 407 CO 0.00 0.05 0.29 -0.07 -2.65 0.00 0.00 178.83 176.45 1ml6 h LEU 408 N 0.00 0.33 0.00 -2.39 3.38 -1.47 -1.59 115.31 113.57 1ml6 h LEU 408 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ml6 h LEU 408 Cb 0.32 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ml6 h LEU 408 CO 0.01 0.19 0.00 1.33 0.09 0.00 0.00 178.44 180.05 1ml6 n VAL 409 N -4.94 1.02 -3.27 1.22 0.24 -1.25 -4.90 118.33 106.46 1ml6 n VAL 409 Ca 0.10 0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 62.23 1ml6 n VAL 409 Cb 0.28 -1.05 -0.01 0.00 -1.47 0.00 0.00 33.84 31.59 1ml6 n VAL 409 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ml6 n LEU 410 N -1.43 5.57 -4.90 1.34 4.77 -0.60 -5.05 117.00 116.70 1ml6 n LEU 410 Ca 0.04 -5.14 -0.34 0.00 -0.03 0.00 0.00 56.01 50.54 1ml6 n LEU 410 Cb 0.13 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 39.86 1ml6 n LEU 410 CO 0.10 1.54 -0.15 -2.84 -1.33 0.00 0.00 177.39 174.72 1ml6 s PRO 412 N -1.92 3.45 0.32 3.23 0.02 -1.26 -5.12 135.00 133.73 1ml6 s PRO 412 Ca 0.31 -0.27 0.10 0.00 0.02 0.00 0.00 61.00 61.16 1ml6 s PRO 412 Cb -0.03 -3.11 0.90 0.00 0.02 0.00 0.00 34.50 32.28 1ml6 s PRO 412 CO -0.02 0.69 1.73 -1.35 -0.33 0.00 0.00 177.00 177.73 1ml6 h PRO 413 N 4.02 0.56 0.00 5.54 0.11 -1.99 0.70 132.00 140.94 1ml6 h PRO 413 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ml6 h PRO 413 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ml6 h PRO 413 CO 0.67 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 1ml6 n ASP 414 N -4.86 0.34 -0.00 -2.05 5.75 -1.26 -3.34 116.55 111.11 1ml6 n ASP 414 Ca 0.27 0.56 0.05 0.00 -0.01 0.00 0.00 54.79 55.66 1ml6 n ASP 414 Cb 0.75 -0.64 -0.07 0.00 -1.03 0.00 0.00 41.12 40.13 1ml6 n ASP 414 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ml6 n GLN 415 N -1.85 1.44 -0.06 0.11 6.02 0.13 -4.73 117.38 118.44 1ml6 n GLN 415 Ca 0.04 -0.06 0.03 0.00 -0.01 0.00 0.00 57.00 57.00 1ml6 n GLN 415 Cb 0.27 -1.16 0.38 0.00 1.02 0.00 0.00 30.24 30.74 1ml6 n GLN 415 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1ml6 h ARG 416 N 0.00 0.66 -0.33 -1.09 2.43 -1.28 -2.08 114.38 112.70 1ml6 h ARG 416 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1ml6 h ARG 416 Cb 0.40 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1ml6 h ARG 416 CO 0.00 0.44 -0.05 0.93 -1.51 0.00 0.00 179.97 179.78 1ml6 h GLU 417 N 0.68 0.62 -0.27 0.20 5.08 -1.85 -1.39 114.58 117.66 1ml6 h GLU 417 Ca 0.19 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ml6 h GLU 417 Cb -0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ml6 h GLU 417 CO -0.04 0.78 0.10 0.00 -1.00 0.00 0.00 179.01 178.85 1ml6 h ALA 418 N 0.82 0.35 -0.59 3.43 0.00 -1.84 -2.14 119.26 119.29 1ml6 h ALA 418 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ml6 h ALA 418 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ml6 h ALA 418 CO 0.03 -0.04 0.32 0.87 0.00 0.00 0.00 179.25 180.43 1ml6 h LYS 419 N 0.28 0.81 -0.41 0.00 1.79 -1.35 -1.66 116.57 116.03 1ml6 h LYS 419 Ca 0.09 -0.08 -0.15 0.00 -2.18 0.00 0.00 60.65 58.33 1ml6 h LYS 419 Cb 0.21 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1ml6 h LYS 419 CO -0.01 0.59 -0.33 1.15 -1.08 0.00 0.00 179.45 179.78 1ml6 h THR 420 N 0.82 1.27 -0.50 -0.16 2.02 -1.06 -0.63 112.91 114.66 1ml6 h THR 420 Ca 0.21 -1.50 -0.11 0.00 0.77 0.00 0.00 66.41 65.78 1ml6 h THR 420 Cb 0.02 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1ml6 h THR 420 CO -0.03 0.51 -0.11 0.00 0.37 0.00 0.00 175.52 176.25 1ml6 h ALA 421 N 0.84 0.85 -0.32 6.16 0.00 -1.02 -1.42 119.26 124.35 1ml6 h ALA 421 Ca 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ml6 h ALA 421 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ml6 h ALA 421 CO 0.09 0.65 0.12 1.25 0.00 0.00 0.00 179.25 181.36 1ml6 h LEU 422 N 0.84 0.45 -0.55 0.00 5.85 -1.19 0.29 115.31 121.00 1ml6 h LEU 422 Ca 0.13 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ml6 h LEU 422 Cb 0.65 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1ml6 h LEU 422 CO 0.04 0.50 0.35 0.00 -0.34 0.00 0.00 178.44 179.00 1ml6 h ALA 423 N 0.96 0.70 -0.69 1.25 0.00 -0.88 -0.23 119.26 120.37 1ml6 h ALA 423 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ml6 h ALA 423 Cb 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ml6 h ALA 423 CO -0.01 0.09 0.21 0.87 0.00 0.00 0.00 179.25 180.42 1ml6 h LYS 424 N 0.70 1.07 -0.14 0.00 1.57 -1.01 -0.79 116.57 117.98 1ml6 h LYS 424 Ca 0.21 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ml6 h LYS 424 Cb -0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1ml6 h LYS 424 CO -0.07 0.92 0.05 0.22 -0.57 0.00 0.00 179.45 180.00 1ml6 h ASP 425 N 1.03 0.19 -0.85 0.86 3.58 -0.39 -1.44 116.42 119.40 1ml6 h ASP 425 Ca 0.22 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1ml6 h ASP 425 Cb 0.30 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 1ml6 h ASP 425 CO -0.01 0.32 0.54 0.03 -2.88 0.00 0.00 179.24 177.24 1ml6 h ARG 426 N 0.05 1.14 0.26 0.28 2.47 -0.83 0.14 114.38 117.89 1ml6 h ARG 426 Ca 0.04 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1ml6 h ARG 426 Cb 0.19 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1ml6 h ARG 426 CO -0.00 0.77 -0.13 1.15 0.56 0.00 0.00 179.97 182.33 1ml6 h THR 427 N 1.16 0.78 0.00 2.04 2.02 -0.84 0.07 112.91 118.14 1ml6 h THR 427 Ca 0.31 -0.26 -0.19 0.00 0.77 0.00 0.00 66.41 67.04 1ml6 h THR 427 Cb -0.09 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1ml6 h THR 427 CO -0.06 0.06 -0.88 0.07 0.37 0.00 0.00 175.52 175.07 1ml6 h LYS 428 N -0.48 0.00 0.00 6.66 2.10 -1.11 -1.33 116.57 122.40 1ml6 h LYS 428 Ca -0.04 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.58 1ml6 h LYS 428 Cb 0.36 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1ml6 h LYS 428 CO 0.06 0.88 -1.86 0.09 -2.00 0.00 0.00 179.45 176.62 1ml6 n ASN 429 N -3.35 0.16 0.01 7.07 3.02 0.49 -4.37 115.26 118.28 1ml6 n ASN 429 Ca 0.00 0.06 -0.02 0.00 -0.03 0.00 0.00 54.58 54.60 1ml6 n ASN 429 Cb 0.88 1.61 -0.01 0.00 -0.61 0.00 0.00 39.78 41.65 1ml6 n ASN 429 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1ml6 n ARG 430 N -2.39 0.10 0.03 3.52 0.63 -0.11 -4.78 116.66 113.66 1ml6 n ARG 430 Ca -0.06 0.04 -0.12 0.00 -0.92 0.00 0.00 57.85 56.79 1ml6 n ARG 430 Cb 0.63 -0.57 -0.09 0.00 0.45 0.00 0.00 32.46 32.88 1ml6 n ARG 430 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1ml6 h TYR 431 N -0.19 -0.13 -0.67 -0.14 0.05 -1.30 -2.75 116.97 111.83 1ml6 h TYR 431 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ml6 h TYR 431 Cb 0.19 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1ml6 h TYR 431 CO -0.08 0.37 0.42 -0.07 -1.05 0.00 0.00 178.16 177.75 1ml6 h LEU 432 N -0.76 0.79 -0.89 3.88 3.38 -1.47 -2.18 115.31 118.06 1ml6 h LEU 432 Ca -0.01 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ml6 h LEU 432 Cb 0.56 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1ml6 h LEU 432 CO 0.02 0.60 0.58 -0.65 0.09 0.00 0.00 178.44 179.09 1ml6 h PRO 433 N 0.91 1.12 -0.46 1.13 0.11 -1.76 0.23 132.00 133.28 1ml6 h PRO 433 Ca 0.24 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 66.34 1ml6 h PRO 433 Cb -0.06 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 30.75 1ml6 h PRO 433 CO -0.05 0.74 0.17 0.00 -0.21 0.00 0.00 178.00 178.65 1ml6 h ALA 434 N 1.35 0.56 0.02 -0.75 0.00 -1.09 0.38 119.26 119.73 1ml6 h ALA 434 Ca 0.35 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.10 1ml6 h ALA 434 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ml6 h ALA 434 CO -0.10 -0.22 -0.93 0.74 0.00 0.00 0.00 179.25 178.74 1ml6 h PHE 435 N 0.35 0.25 -0.68 0.00 0.04 -1.00 -2.15 116.94 113.74 1ml6 h PHE 435 Ca 0.22 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1ml6 h PHE 435 Cb 0.21 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1ml6 h PHE 435 CO -0.15 1.00 0.45 1.49 -0.60 0.00 0.00 178.31 180.49 1ml6 h GLU 436 N 0.08 0.89 -0.94 1.51 4.57 -0.67 -2.25 114.58 117.76 1ml6 h GLU 436 Ca -0.05 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1ml6 h GLU 436 Cb 1.59 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.93 1ml6 h GLU 436 CO 0.14 0.59 0.57 -0.22 -1.18 0.00 0.00 179.01 178.91 1ml6 h LYS 437 N 0.92 1.28 -0.11 1.92 3.64 -0.74 -1.07 116.57 122.40 1ml6 h LYS 437 Ca 0.25 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ml6 h LYS 437 Cb -0.09 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.45 1ml6 h LYS 437 CO -0.06 0.89 0.07 0.28 -2.27 0.00 0.00 179.45 178.36 1ml6 h VAL 438 N 1.30 1.05 -0.31 2.00 2.07 -0.84 0.48 116.25 122.00 1ml6 h VAL 438 Ca 0.34 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.76 1ml6 h VAL 438 Cb -0.06 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1ml6 h VAL 438 CO -0.06 0.04 0.18 -0.07 0.02 0.00 0.00 177.57 177.68 1ml6 h LEU 439 N 0.13 0.30 -0.93 2.57 3.38 -1.23 -2.65 115.31 116.88 1ml6 h LEU 439 Ca 0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ml6 h LEU 439 Cb 0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1ml6 h LEU 439 CO -0.01 0.22 0.61 0.50 0.09 0.00 0.00 178.44 179.85 1ml6 h LYS 440 N 0.37 1.22 -0.76 1.13 3.64 -0.96 0.21 116.57 121.42 1ml6 h LYS 440 Ca 0.12 -0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 1ml6 h LYS 440 Cb -0.01 -0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 31.49 1ml6 h LYS 440 CO -0.05 0.80 0.51 0.66 -2.27 0.00 0.00 179.45 179.11 1ml6 h SER 441 N 1.25 0.33 0.00 4.20 4.64 -0.53 -3.21 113.55 120.23 1ml6 h SER 441 Ca 0.34 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1ml6 h SER 441 Cb -0.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1ml6 h SER 441 CO -0.08 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1ml6 n HIS 442 N -4.46 0.00 -1.00 4.77 1.44 -1.03 -5.02 115.22 109.92 1ml6 n HIS 442 Ca 0.15 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.80 1ml6 n HIS 442 Cb 0.59 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.67 1ml6 n HIS 442 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ml6 n GLY 443 N 0.25 0.52 3.93 -1.39 0.00 0.71 -4.95 105.19 104.26 1ml6 n GLY 443 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1ml6 n GLY 443 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ml6 s GLN 444 N -2.14 2.90 0.38 1.61 -0.21 -1.26 -5.01 119.66 115.94 1ml6 s GLN 444 Ca 0.00 -0.21 0.18 0.00 0.02 0.00 0.00 55.36 55.35 1ml6 s GLN 444 Cb 0.00 -2.36 0.76 0.00 1.00 0.00 0.00 33.01 32.41 1ml6 s GLN 444 CO 0.00 -0.60 1.79 -0.44 -2.12 0.00 0.00 175.29 173.92 1ml6 h ASP 445 N -0.01 0.00 -2.46 5.90 3.32 -1.92 -3.45 116.42 117.80 1ml6 h ASP 445 Ca -0.45 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 55.99 1ml6 h ASP 445 Cb 1.26 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.68 1ml6 h ASP 445 CO 0.59 0.36 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.44 1ml6 s TYR 446 N -3.82 2.47 0.14 4.55 2.02 -1.26 -4.97 117.35 116.49 1ml6 s TYR 446 Ca -0.01 -0.28 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 1ml6 s TYR 446 Cb 0.12 -1.12 -0.00 0.00 -0.40 0.00 0.00 41.96 40.56 1ml6 s TYR 446 CO 0.69 0.63 1.77 -0.07 -1.57 0.00 0.00 175.55 177.00 1ml6 h LEU 447 N 2.37 0.45 -8.20 -1.29 3.38 -1.87 -3.41 115.31 106.73 1ml6 h LEU 447 Ca -0.43 -0.05 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 1ml6 h LEU 447 Cb 1.24 -0.11 -0.29 0.00 0.09 0.00 0.00 40.66 41.59 1ml6 h LEU 447 CO 0.58 0.37 -0.81 -0.69 0.09 0.00 0.00 178.44 177.97 1ml6 s VAL 448 N -5.99 1.12 -1.75 1.22 1.01 -1.26 -4.83 120.40 109.92 1ml6 s VAL 448 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1ml6 s VAL 448 Cb 0.10 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1ml6 s VAL 448 CO 0.73 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.75 1ml6 n GLY 449 N 2.77 1.57 2.31 4.51 0.00 -1.26 -2.93 105.19 112.16 1ml6 n GLY 449 Ca -0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1ml6 n GLY 449 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ml6 n ASN 450 N -1.29 -4.28 -3.97 1.61 4.05 -1.26 -4.93 115.26 105.19 1ml6 n ASN 450 Ca -0.16 0.23 -0.08 0.00 0.45 0.00 0.00 54.58 55.01 1ml6 n ASN 450 Cb 0.65 -3.73 -0.09 0.00 1.23 0.00 0.00 39.78 37.83 1ml6 n ASN 450 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1ml6 s ARG 451 N -4.30 0.67 0.22 1.20 3.52 -1.15 -4.82 118.95 114.29 1ml6 s ARG 451 Ca 0.00 -1.01 -0.30 0.00 -0.13 0.00 0.00 55.73 54.29 1ml6 s ARG 451 Cb 0.00 0.25 -0.10 0.00 -1.56 0.00 0.00 34.95 33.55 1ml6 s ARG 451 CO 0.00 -0.17 1.42 -1.17 -0.81 0.00 0.00 175.30 174.57 1ml6 s LEU 452 N -2.67 4.39 0.29 -0.88 2.96 -1.26 -4.55 118.68 116.96 1ml6 s LEU 452 Ca 0.03 2.57 0.04 0.00 -0.22 0.00 0.00 54.13 56.55 1ml6 s LEU 452 Cb 0.04 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1ml6 s LEU 452 CO -0.09 -0.67 0.20 0.42 -1.32 0.00 0.00 176.35 174.89 1ml6 s THR 453 N 0.23 0.12 0.46 3.68 -4.23 -1.26 -4.87 115.64 109.77 1ml6 s THR 453 Ca 0.60 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.27 1ml6 s THR 453 Cb -0.40 -2.50 0.33 0.00 1.34 0.00 0.00 72.50 71.27 1ml6 s THR 453 CO 0.40 0.00 2.00 0.08 -0.54 0.00 0.00 174.62 176.56 1ml6 h ARG 454 N 2.28 0.29 0.00 3.99 0.11 -0.94 -2.35 114.38 117.75 1ml6 h ARG 454 Ca -0.31 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 59.68 1ml6 h ARG 454 Cb 1.24 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 1ml6 h ARG 454 CO 0.46 0.19 -0.37 -0.24 0.10 0.00 0.00 179.97 180.12 1ml6 h VAL 455 N 0.29 0.87 -0.52 0.08 3.04 -1.90 -0.62 116.25 117.51 1ml6 h VAL 455 Ca 0.24 -1.49 -0.08 0.00 -1.01 0.00 0.00 66.70 64.36 1ml6 h VAL 455 Cb 0.54 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.71 1ml6 h VAL 455 CO -0.05 0.36 0.02 0.44 -1.01 0.00 0.00 177.57 177.32 1ml6 h ASP 456 N 0.00 0.82 0.04 3.17 3.32 -1.82 0.64 116.42 122.59 1ml6 h ASP 456 Ca -0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ml6 h ASP 456 Cb 0.88 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1ml6 h ASP 456 CO 0.05 0.88 -0.02 0.58 -1.72 0.00 0.00 179.24 179.01 1ml6 h VAL 457 N 0.80 1.22 -0.92 -1.35 2.07 -1.41 -1.84 116.25 114.82 1ml6 h VAL 457 Ca 0.16 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.91 1ml6 h VAL 457 Cb 0.46 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 1ml6 h VAL 457 CO 0.02 0.22 0.56 0.45 0.02 0.00 0.00 177.57 178.84 1ml6 h HIS 458 N -0.44 1.03 -0.43 1.57 3.86 -0.89 -1.76 115.15 118.09 1ml6 h HIS 458 Ca -0.01 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.14 1ml6 h HIS 458 Cb 0.40 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1ml6 h HIS 458 CO 0.05 0.45 -0.11 1.25 0.86 0.00 0.00 177.93 180.44 1ml6 h LEU 459 N 0.95 0.85 -0.37 2.43 5.85 -0.78 -1.68 115.31 122.56 1ml6 h LEU 459 Ca 0.43 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1ml6 h LEU 459 Cb 0.34 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1ml6 h LEU 459 CO -0.23 1.02 0.14 0.25 -0.34 0.00 0.00 178.44 179.27 1ml6 h LEU 460 N 0.67 0.15 -0.35 2.25 5.85 -0.86 -0.50 115.31 122.52 1ml6 h LEU 460 Ca 0.11 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1ml6 h LEU 460 Cb 0.65 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1ml6 h LEU 460 CO 0.04 0.12 0.11 -0.08 -0.34 0.00 0.00 178.44 178.30 1ml6 h GLU 461 N 0.29 0.25 -0.94 1.25 4.81 -1.16 -1.66 114.58 117.42 1ml6 h GLU 461 Ca 0.17 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1ml6 h GLU 461 Cb 0.14 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1ml6 h GLU 461 CO -0.17 0.16 0.62 1.25 -0.73 0.00 0.00 179.01 180.14 1ml6 h LEU 462 N 0.25 1.06 -1.41 1.64 5.85 -0.78 -2.05 115.31 119.87 1ml6 h LEU 462 Ca 0.16 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1ml6 h LEU 462 Cb 0.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1ml6 h LEU 462 CO -0.18 0.75 0.20 -0.07 -0.34 0.00 0.00 178.44 178.80 1ml6 h LEU 463 N 1.24 0.54 -0.53 2.25 3.38 -0.22 0.14 115.31 122.11 1ml6 h LEU 463 Ca 0.36 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1ml6 h LEU 463 Cb -0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ml6 h LEU 463 CO -0.09 0.47 0.13 -0.07 0.09 0.00 0.00 178.44 178.97 1ml6 h LEU 464 N 0.60 0.80 -0.80 1.67 3.38 -0.66 1.00 115.31 121.31 1ml6 h LEU 464 Ca 0.15 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1ml6 h LEU 464 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1ml6 h LEU 464 CO -0.02 0.82 -0.51 1.88 0.09 0.00 0.00 178.44 180.70 1ml6 h TYR 465 N 0.74 0.29 -0.54 1.13 0.05 -0.97 -1.70 116.97 115.97 1ml6 h TYR 465 Ca 0.17 -0.10 -0.12 0.00 0.05 0.00 0.00 58.73 58.73 1ml6 h TYR 465 Cb 0.33 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1ml6 h TYR 465 CO 0.02 0.70 -0.12 0.28 -1.05 0.00 0.00 178.16 177.99 1ml6 h VAL 466 N 0.19 1.27 -0.26 -2.88 2.07 -0.34 -1.07 116.25 115.23 1ml6 h VAL 466 Ca 0.01 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 1ml6 h VAL 466 Cb 0.96 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1ml6 h VAL 466 CO 0.08 0.45 -0.05 -0.08 0.02 0.00 0.00 177.57 177.99 1ml6 h GLU 467 N 0.91 0.40 -0.13 1.57 4.81 -0.44 -1.34 114.58 120.36 1ml6 h GLU 467 Ca 0.14 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 1ml6 h GLU 467 Cb 0.69 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1ml6 h GLU 467 CO 0.05 0.47 -0.65 0.93 -0.73 0.00 0.00 179.01 179.08 1ml6 h GLU 468 N 0.38 0.51 0.26 1.92 5.08 -0.97 -2.80 114.58 118.96 1ml6 h GLU 468 Ca 0.08 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1ml6 h GLU 468 Cb 0.33 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ml6 h GLU 468 CO 0.01 0.99 -0.12 1.25 -1.00 0.00 0.00 179.01 180.14 1ml6 h LEU 469 N 0.37 -0.29 -6.00 1.33 6.46 -0.60 -3.44 115.31 113.13 1ml6 h LEU 469 Ca -0.02 -0.21 0.10 0.00 -0.12 0.00 0.00 57.88 57.63 1ml6 h LEU 469 Cb 1.22 0.08 -0.20 0.00 -0.73 0.00 0.00 40.66 41.02 1ml6 h LEU 469 CO 0.12 0.09 -0.25 -0.62 -0.62 0.00 0.00 178.44 177.16 1ml6 s ASP 470 N -5.17 -1.23 0.62 1.25 -1.08 -0.56 -5.03 116.67 105.46 1ml6 s ASP 470 Ca -0.14 0.24 0.32 0.00 -0.52 0.00 0.00 52.55 52.44 1ml6 s ASP 470 Cb 0.02 1.82 1.77 0.00 -1.46 0.00 0.00 42.92 45.07 1ml6 s ASP 470 CO 0.55 -0.23 2.10 0.00 0.52 0.00 0.00 175.17 178.12 1ml6 h ALA 471 N 7.81 1.60 0.00 3.66 0.00 -1.65 -0.94 119.26 129.75 1ml6 h ALA 471 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ml6 h ALA 471 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ml6 h ALA 471 CO 0.09 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 1ml6 n SER 472 N -3.50 0.31 0.21 0.00 3.41 -1.26 -2.90 113.62 109.89 1ml6 n SER 472 Ca 0.00 0.56 0.07 0.00 -0.26 0.00 0.00 58.87 59.25 1ml6 n SER 472 Cb 0.31 -0.63 0.48 0.00 -0.26 0.00 0.00 64.21 64.11 1ml6 n SER 472 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ml6 h LEU 473 N 0.00 0.00 0.00 1.04 3.38 -1.49 -2.97 115.31 115.27 1ml6 h LEU 473 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ml6 h LEU 473 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ml6 h LEU 473 CO 0.00 0.28 -0.46 0.18 0.09 0.00 0.00 178.44 178.53 1ml6 n LEU 474 N -3.79 0.66 -0.12 1.67 4.77 -1.14 -4.40 117.00 114.64 1ml6 n LEU 474 Ca -0.01 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 1ml6 n LEU 474 Cb 0.37 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1ml6 n LEU 474 CO 0.35 -0.05 0.80 0.74 -1.33 0.00 0.00 177.39 177.90 1ml6 h THR 475 N 0.00 0.61 0.00 -5.08 2.02 -1.67 -2.45 112.91 106.35 1ml6 h THR 475 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ml6 h THR 475 Cb 0.70 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1ml6 h THR 475 CO 0.00 0.00 0.00 -2.65 0.37 0.00 0.00 175.52 173.24 1ml6 n PRO 476 N -5.29 0.66 -3.73 6.66 -0.02 -1.26 -4.43 135.00 127.60 1ml6 n PRO 476 Ca 0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 1ml6 n PRO 476 Cb 0.22 -1.03 -0.12 0.00 -0.02 0.00 0.00 33.50 32.55 1ml6 n PRO 476 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1ml6 s PHE 477 N -1.91 2.35 0.14 6.00 0.08 -0.92 -4.99 117.98 118.73 1ml6 s PHE 477 Ca 0.00 -2.71 -0.17 0.00 0.12 0.00 0.00 56.93 54.17 1ml6 s PHE 477 Cb 0.00 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1ml6 s PHE 477 CO 0.00 -0.73 1.76 -1.00 -0.10 0.00 0.00 175.22 175.16 1ml6 h PRO 478 N 6.19 0.51 -0.86 0.24 0.13 -1.82 -1.25 132.00 135.13 1ml6 h PRO 478 Ca 0.07 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1ml6 h PRO 478 Cb 0.88 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 31.85 1ml6 h PRO 478 CO 0.54 0.40 0.56 -0.07 -0.23 0.00 0.00 178.00 179.20 1ml6 h LEU 479 N 0.48 0.95 -0.71 1.56 3.38 -1.94 -0.45 115.31 118.59 1ml6 h LEU 479 Ca 0.13 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1ml6 h LEU 479 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ml6 h LEU 479 CO -0.02 0.67 -0.21 -0.07 0.09 0.00 0.00 178.44 178.90 1ml6 h LEU 480 N 1.12 0.78 -0.55 1.67 3.38 -1.87 -0.46 115.31 119.38 1ml6 h LEU 480 Ca 0.33 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ml6 h LEU 480 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1ml6 h LEU 480 CO -0.10 0.97 0.25 0.11 0.09 0.00 0.00 178.44 179.77 1ml6 h LYS 481 N 0.67 0.80 -0.55 1.13 1.57 -0.39 -0.57 116.57 119.24 1ml6 h LYS 481 Ca 0.10 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1ml6 h LYS 481 Cb 0.72 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1ml6 h LYS 481 CO 0.06 0.67 -0.10 0.00 -0.57 0.00 0.00 179.45 179.50 1ml6 h ALA 482 N 1.09 0.76 -0.32 3.86 0.00 -0.86 -2.50 119.26 121.29 1ml6 h ALA 482 Ca 0.19 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ml6 h ALA 482 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ml6 h ALA 482 CO -0.02 0.67 0.13 0.35 0.00 0.00 0.00 179.25 180.38 1ml6 h PHE 483 N 0.93 0.24 -0.43 0.00 3.04 -0.78 -1.38 116.94 118.56 1ml6 h PHE 483 Ca 0.14 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.17 1ml6 h PHE 483 Cb 0.67 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.06 1ml6 h PHE 483 CO 0.05 0.12 0.10 -0.22 -2.02 0.00 0.00 178.31 176.34 1ml6 h LYS 484 N 0.29 0.23 -0.25 1.11 3.64 -0.90 -1.03 116.57 119.66 1ml6 h LYS 484 Ca 0.14 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1ml6 h LYS 484 Cb 0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ml6 h LYS 484 CO -0.12 0.16 0.16 0.77 -2.27 0.00 0.00 179.45 178.14 1ml6 h SER 485 N 0.24 0.30 0.30 4.20 0.02 -1.05 -1.85 113.55 115.72 1ml6 h SER 485 Ca 0.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1ml6 h SER 485 Cb 0.25 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1ml6 h SER 485 CO -0.26 0.26 -0.14 0.03 -1.14 0.00 0.00 176.83 175.58 1ml6 h ARG 486 N 0.32 -0.38 -0.95 3.45 3.08 -0.64 -2.43 114.38 116.82 1ml6 h ARG 486 Ca 0.09 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1ml6 h ARG 486 Cb 0.01 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1ml6 h ARG 486 CO -0.02 -0.22 0.57 0.82 -1.07 0.00 0.00 179.97 180.05 1ml6 h ILE 487 N -0.45 1.26 -0.16 2.04 1.08 -1.23 -1.74 117.51 118.31 1ml6 h ILE 487 Ca -0.04 -0.57 0.05 0.00 -0.39 0.00 0.00 64.86 63.90 1ml6 h ILE 487 Cb 0.34 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1ml6 h ILE 487 CO 0.07 0.28 0.13 0.28 -0.69 0.00 0.00 178.15 178.21 1ml6 h SER 488 N 1.31 0.00 1.36 1.72 0.02 -1.15 -1.65 113.55 115.16 1ml6 h SER 488 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1ml6 h SER 488 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ml6 h SER 488 CO -0.06 0.00 -0.04 -1.20 -1.14 0.00 0.00 176.83 174.39 1ml6 n SER 489 N -4.25 0.69 -4.76 3.07 7.64 -0.66 -3.14 113.62 112.21 1ml6 n SER 489 Ca 0.01 0.53 -0.41 0.00 1.01 0.00 0.00 58.87 60.01 1ml6 n SER 489 Cb 0.25 -0.69 -0.01 0.00 -1.01 0.00 0.00 64.21 62.76 1ml6 n SER 489 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ml6 n LEU 490 N -2.13 4.58 -0.13 -3.43 4.77 -0.62 -4.73 117.00 115.31 1ml6 n LEU 490 Ca 0.06 1.20 -0.05 0.00 -0.03 0.00 0.00 56.01 57.19 1ml6 n LEU 490 Cb 0.42 -1.60 0.01 0.00 -2.33 0.00 0.00 43.42 39.91 1ml6 n LEU 490 CO 0.30 0.12 0.70 -0.65 -1.33 0.00 0.00 177.39 176.53 1ml6 h PRO 491 N 3.44 -0.14 -0.60 3.23 0.11 -1.89 0.34 132.00 136.48 1ml6 h PRO 491 Ca -0.49 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1ml6 h PRO 491 Cb 1.24 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1ml6 h PRO 491 CO 0.68 -0.09 0.18 -0.91 -0.21 0.00 0.00 178.00 177.65 1ml6 h ASN 492 N -0.15 0.85 -0.01 -2.05 2.35 -1.87 -1.36 115.58 113.34 1ml6 h ASN 492 Ca 0.20 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1ml6 h ASN 492 Cb 0.46 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1ml6 h ASN 492 CO -0.52 0.81 -0.01 0.58 -1.65 0.00 0.00 177.43 176.64 1ml6 h VAL 493 N 0.89 1.39 -0.83 2.81 2.07 -1.66 -2.62 116.25 118.30 1ml6 h VAL 493 Ca 0.20 -1.16 0.13 0.00 0.82 0.00 0.00 66.70 66.69 1ml6 h VAL 493 Cb 0.27 2.16 -0.09 0.00 -1.52 0.00 0.00 31.29 32.11 1ml6 h VAL 493 CO -0.01 0.30 0.43 0.50 0.02 0.00 0.00 177.57 178.82 1ml6 h LYS 494 N -0.47 0.63 -0.74 1.57 3.64 -0.28 0.11 116.57 121.04 1ml6 h LYS 494 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1ml6 h LYS 494 Cb 0.50 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1ml6 h LYS 494 CO 0.00 0.42 0.49 -0.22 -2.27 0.00 0.00 179.45 177.87 1ml6 h LYS 495 N 0.65 0.97 0.00 1.90 1.63 -1.19 -1.66 116.57 118.87 1ml6 h LYS 495 Ca 0.44 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 60.07 1ml6 h LYS 495 Cb 0.57 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1ml6 h LYS 495 CO -0.33 0.64 -0.54 0.35 -3.45 0.00 0.00 179.45 176.11 1ml6 h PHE 496 N 1.00 0.00 0.00 1.91 3.57 -0.71 -3.06 116.94 119.64 1ml6 h PHE 496 Ca 0.27 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ml6 h PHE 496 Cb -0.10 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1ml6 h PHE 496 CO -0.02 0.54 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.43 1ml6 h LEU 497 N 0.00 0.00-10.10 0.59 3.38 -0.38 -3.42 115.31 105.39 1ml6 h LEU 497 Ca -0.01 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.46 1ml6 h LEU 497 Cb 1.13 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.95 1ml6 h LEU 497 CO 0.07 0.10 0.42 -1.10 0.09 0.00 0.00 178.44 178.02 1ml6 s GLN 498 N -3.29 3.34 0.70 1.13 -0.21 -0.67 -4.98 119.66 115.68 1ml6 s GLN 498 Ca 0.05 1.57 -0.17 0.00 0.02 0.00 0.00 55.36 56.83 1ml6 s GLN 498 Cb 0.07 -2.01 0.01 0.00 1.00 0.00 0.00 33.01 32.08 1ml6 s GLN 498 CO 0.66 -0.85 1.18 -0.35 -2.12 0.00 0.00 175.29 173.80 1ml6 n PRO 499 N -1.38 0.76 -0.12 2.91 -0.04 -1.26 -3.03 135.00 132.84 1ml6 n PRO 499 Ca 0.11 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1ml6 n PRO 499 Cb 0.51 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1ml6 n PRO 499 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ml6 n GLY 500 N 0.91 1.57 3.82 0.55 0.00 -1.26 -5.04 105.19 105.73 1ml6 n GLY 500 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ml6 n GLY 500 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ml6 s SER 501 N -3.14 2.84 0.00 1.61 1.04 -1.17 -4.94 113.70 109.93 1ml6 s SER 501 Ca 0.00 0.57 0.14 0.00 0.48 0.00 0.00 55.95 57.14 1ml6 s SER 501 Cb 0.00 -0.83 0.74 0.00 0.10 0.00 0.00 66.02 66.03 1ml6 s SER 501 CO 0.00 -2.93 1.49 0.00 0.98 0.00 0.00 173.24 172.78 1ml6 n GLN 502 N -3.95 1.20 -1.92 4.02 6.02 -1.26 -4.86 117.38 116.62 1ml6 n GLN 502 Ca 0.12 -0.31 -0.40 0.00 -0.01 0.00 0.00 57.00 56.41 1ml6 n GLN 502 Cb 0.60 -1.25 0.01 0.00 1.02 0.00 0.00 30.24 30.62 1ml6 n GLN 502 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1ml6 s ARG 503 N -1.92 3.84 0.09 -1.09 3.52 -1.26 -5.00 118.95 117.13 1ml6 s ARG 503 Ca 0.22 2.30 0.03 0.00 -0.13 0.00 0.00 55.73 58.15 1ml6 s ARG 503 Cb 0.11 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 1ml6 s ARG 503 CO 0.17 -0.65 0.10 0.15 -0.81 0.00 0.00 175.30 174.27 1ml6 s LYS 504 N -2.33 2.96 0.73 5.12 -0.14 -1.26 -5.03 119.74 119.78 1ml6 s LYS 504 Ca 0.59 -0.68 -0.02 0.00 -1.36 0.00 0.00 55.97 54.50 1ml6 s LYS 504 Cb -0.41 -2.76 0.12 0.00 -1.68 0.00 0.00 37.83 33.10 1ml6 s LYS 504 CO 0.53 0.56 1.00 -1.25 -0.76 0.00 0.00 175.35 175.44 1ml6 s PRO 505 N -2.49 1.69 0.71 -1.68 0.04 -1.26 -4.87 135.00 127.15 1ml6 s PRO 505 Ca 0.30 -0.96 -0.11 0.00 0.04 0.00 0.00 61.00 60.27 1ml6 s PRO 505 Cb -0.12 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.15 1ml6 s PRO 505 CO 0.23 -1.46 1.07 -2.14 0.04 0.00 0.00 177.00 174.75 1ml6 s PRO 506 N -5.18 2.79 -0.11 0.56 0.02 -1.26 -4.40 135.00 127.41 1ml6 s PRO 506 Ca 0.66 0.73 -0.07 0.00 0.02 0.00 0.00 61.00 62.33 1ml6 s PRO 506 Cb -0.06 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1ml6 s PRO 506 CO 0.45 -1.15 0.15 -1.17 -0.33 0.00 0.00 177.00 174.95 1ml6 s LEU 507 N -5.51 4.39 0.80 -5.54 2.96 -1.26 -5.05 118.68 109.47 1ml6 s LEU 507 Ca 0.58 0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 54.91 1ml6 s LEU 507 Cb -0.13 -2.09 0.15 0.00 0.50 0.00 0.00 46.19 44.61 1ml6 s LEU 507 CO 0.54 0.41 1.11 1.51 -1.32 0.00 0.00 176.35 178.59 1ml6 s ASP 508 N -1.04 3.97 0.12 3.68 1.47 -1.26 -4.83 116.67 118.79 1ml6 s ASP 508 Ca 0.15 -0.09 -0.22 0.00 1.18 0.00 0.00 52.55 53.57 1ml6 s ASP 508 Cb -0.12 -0.20 -0.04 0.00 -0.34 0.00 0.00 42.92 42.22 1ml6 s ASP 508 CO 0.04 -2.13 1.68 0.00 0.68 0.00 0.00 175.17 175.44 1ml6 h ALA 509 N -0.91 -0.08 -0.35 2.11 0.00 -1.98 -0.47 119.26 117.57 1ml6 h ALA 509 Ca -0.40 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1ml6 h ALA 509 Cb 1.26 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1ml6 h ALA 509 CO 0.41 -0.60 0.12 -0.22 0.00 0.00 0.00 179.25 178.96 1ml6 h LYS 510 N -0.18 0.25 -0.29 0.00 3.64 -1.98 -0.26 116.57 117.75 1ml6 h LYS 510 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ml6 h LYS 510 Cb 0.30 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1ml6 h LYS 510 CO -0.20 0.17 0.11 1.96 -2.27 0.00 0.00 179.45 179.22 1ml6 h GLN 511 N 0.26 0.44 -0.19 1.90 4.20 -1.88 0.75 115.11 120.59 1ml6 h GLN 511 Ca 0.16 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1ml6 h GLN 511 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ml6 h GLN 511 CO -0.17 0.47 0.11 0.82 -0.67 0.00 0.00 178.83 179.38 1ml6 h ILE 512 N 0.32 1.10 -0.38 2.54 2.04 -0.91 -1.12 117.51 121.10 1ml6 h ILE 512 Ca 0.10 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1ml6 h ILE 512 Cb 0.19 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1ml6 h ILE 512 CO -0.01 0.09 0.24 -0.08 0.00 0.00 0.00 178.15 178.40 1ml6 h GLU 513 N 0.20 0.48 0.00 2.37 4.57 -0.90 -0.85 114.58 120.45 1ml6 h GLU 513 Ca 0.07 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 1ml6 h GLU 513 Cb 0.05 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1ml6 h GLU 513 CO -0.01 0.32 -0.41 0.93 -1.18 0.00 0.00 179.01 178.65 1ml6 h GLU 514 N 0.49 0.00 0.03 1.92 5.08 -0.71 -2.84 114.58 118.55 1ml6 h GLU 514 Ca 0.14 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1ml6 h GLU 514 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ml6 h GLU 514 CO -0.04 0.41 -1.00 0.00 -1.00 0.00 0.00 179.01 177.38 1ml6 h ALA 515 N 1.59 0.37 -0.01 3.43 0.00 -0.91 -1.70 119.26 122.04 1ml6 h ALA 515 Ca -0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 1ml6 h ALA 515 Cb 0.75 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1ml6 h ALA 515 CO 0.05 1.09 -0.24 0.00 0.00 0.00 0.00 179.25 180.15 1ml6 h ARG 516 N 0.04 0.01 0.03 0.00 3.08 -0.94 -2.39 114.38 114.22 1ml6 h ARG 516 Ca -0.04 -0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.73 1ml6 h ARG 516 Cb 1.71 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.73 1ml6 h ARG 516 CO 0.14 0.25 -1.47 -0.22 -1.07 0.00 0.00 179.97 177.60 1ml6 h LYS 517 N 0.01 0.07 0.00 0.04 3.64 -1.42 -3.00 116.57 115.91 1ml6 h LYS 517 Ca 0.00 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1ml6 h LYS 517 Cb 0.43 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1ml6 h LYS 517 CO 0.03 0.81 -0.24 0.28 -2.27 0.00 0.00 179.45 178.06 1ml6 h VAL 518 N 0.02 0.61 0.00 2.00 2.07 -1.04 -3.45 116.25 116.46 1ml6 h VAL 518 Ca -0.20 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1ml6 h VAL 518 Cb 1.94 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1ml6 h VAL 518 CO 0.11 0.24 0.00 0.49 0.02 0.00 0.00 177.57 178.43 1ml6 n PHE 519 N -3.44 0.00 -3.06 1.57 3.72 -0.92 -4.38 117.46 110.95 1ml6 n PHE 519 Ca -0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1ml6 n PHE 519 Cb 0.43 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1ml6 n PHE 519 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ml6 n LYS 520 N 0.00 0.63 0.00 -1.08 4.76 -1.25 -4.99 118.16 116.23 1ml6 n LYS 520 Ca 0.00 -2.69 0.00 0.00 -2.87 0.00 0.00 58.31 52.75 1ml6 n LYS 520 Cb 0.00 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 31.81 1ml6 n LYS 520 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22