#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h72 s PRO 318 N 0.00 2.34 0.28 1.47 0.04 -1.26 -5.02 135.00 132.86 3h72 s PRO 318 Ca 0.00 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3h72 s PRO 318 Cb 0.00 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3h72 s PRO 318 CO 0.00 -1.53 1.08 -1.21 0.04 0.00 0.00 177.00 175.38 3h72 s GLU 319 N -4.99 4.63 0.00 4.56 0.41 -1.26 -3.13 118.70 118.93 3h72 s GLU 319 Ca 0.60 1.76 0.00 0.00 -0.41 0.00 0.00 54.97 56.93 3h72 s GLU 319 Cb -0.16 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.03 3h72 s GLU 319 CO 0.56 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.96 3h72 n GLY 320 N 1.17 2.76 3.74 -1.39 0.00 -1.26 -5.02 105.19 105.20 3h72 n GLY 320 Ca -0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3h72 n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h72 s ALA 321 N -1.77 3.36 -0.01 4.61 0.00 -1.18 -4.68 121.76 122.09 3h72 s ALA 321 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3h72 s ALA 321 Cb 0.00 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 3h72 s ALA 321 CO 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 175.76 175.56 3h72 s ALA 322 N -0.56 0.71 -0.21 0.00 0.00 -1.26 -4.85 121.76 115.59 3h72 s ALA 322 Ca 0.47 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 3h72 s ALA 322 Cb -0.29 -0.22 0.11 0.00 0.00 0.00 0.00 23.12 22.71 3h72 s ALA 322 CO 0.35 0.14 0.31 -1.17 0.00 0.00 0.00 175.76 175.40 3h72 s LEU 323 N -0.01 -0.41 0.91 0.00 2.96 -1.26 -2.41 118.68 118.47 3h72 s LEU 323 Ca 0.00 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.98 3h72 s LEU 323 Cb -0.05 0.82 0.14 0.00 0.50 0.00 0.00 46.19 47.60 3h72 s LEU 323 CO -0.00 -0.30 1.11 0.42 -1.32 0.00 0.00 176.35 176.26 3h72 s THR 324 N 2.46 2.48 0.60 3.68 -4.23 -0.09 -4.97 115.64 115.57 3h72 s THR 324 Ca 0.08 0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 60.60 3h72 s THR 324 Cb -0.15 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 3h72 s THR 324 CO -0.13 -0.20 1.04 -1.61 -0.54 0.00 0.00 174.62 173.17 3h72 s GLU 325 N -4.74 3.39 0.11 3.99 0.41 -1.26 -4.67 118.70 115.93 3h72 s GLU 325 Ca 0.65 1.06 -0.34 0.00 -0.41 0.00 0.00 54.97 55.93 3h72 s GLU 325 Cb -0.21 -2.05 -0.13 0.00 -1.78 0.00 0.00 34.13 29.96 3h72 s GLU 325 CO 0.58 -0.74 1.66 1.17 -0.49 0.00 0.00 175.26 177.44 3h72 n LYS 326 N -2.23 2.21 -4.09 1.61 4.81 -1.26 -4.79 118.16 114.42 3h72 n LYS 326 Ca 0.08 0.80 -0.32 0.00 -0.87 0.00 0.00 58.31 58.00 3h72 n LYS 326 Cb 0.53 -2.60 -0.15 0.00 0.02 0.00 0.00 35.03 32.83 3h72 n LYS 326 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3h72 s THR 327 N 1.71 2.09 -0.02 3.15 2.01 -0.79 -4.96 115.64 118.83 3h72 s THR 327 Ca 0.82 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 3h72 s THR 327 Cb -0.67 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 3h72 s THR 327 CO 0.41 0.22 1.15 -1.81 -0.69 0.00 0.00 174.62 173.90 3h72 s ASP 328 N 1.20 7.12 -0.27 3.53 1.01 -1.26 0.06 116.67 128.06 3h72 s ASP 328 Ca -0.03 1.82 -0.12 0.00 0.71 0.00 0.00 52.55 54.94 3h72 s ASP 328 Cb -0.17 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 41.07 3h72 s ASP 328 CO -0.09 -0.49 -0.33 -0.38 0.21 0.00 0.00 175.17 174.10 3h72 n ILE 329 N 4.30 1.52 -4.02 0.77 2.08 0.57 -4.86 119.36 119.71 3h72 n ILE 329 Ca 0.09 -0.41 -0.31 0.00 0.56 0.00 0.00 62.75 62.68 3h72 n ILE 329 Cb 0.47 -1.81 -0.15 0.00 -0.75 0.00 0.00 39.64 37.40 3h72 n ILE 329 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3h72 s PHE 330 N -2.51 2.95 -0.24 1.39 0.08 -0.91 -5.00 117.98 113.74 3h72 s PHE 330 Ca -0.38 -2.12 -0.16 0.00 0.12 0.00 0.00 56.93 54.39 3h72 s PHE 330 Cb 0.14 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3h72 s PHE 330 CO 0.51 -0.84 0.41 -1.21 -0.10 0.00 0.00 175.22 173.98 3h72 s GLU 331 N 1.21 4.09 0.78 0.44 2.02 -1.26 -1.02 118.70 124.95 3h72 s GLU 331 Ca -0.08 0.15 -0.11 0.00 0.02 0.00 0.00 54.97 54.95 3h72 s GLU 331 Cb -0.20 -3.61 0.07 0.00 0.10 0.00 0.00 34.13 30.50 3h72 s GLU 331 CO -0.05 -0.20 1.14 -1.54 0.02 0.00 0.00 175.26 174.63 3h72 s SER 332 N 1.39 4.64 1.08 -0.19 1.04 -1.26 -4.86 113.70 115.54 3h72 s SER 332 Ca 0.17 0.76 -0.14 0.00 0.48 0.00 0.00 55.95 57.22 3h72 s SER 332 Cb -0.15 -1.30 0.19 0.00 0.10 0.00 0.00 66.02 64.86 3h72 s SER 332 CO 0.09 -1.80 0.92 0.61 0.98 0.00 0.00 173.24 174.03 3h72 n GLY 333 N -3.22 -1.96 3.23 7.32 0.00 -0.12 -4.73 105.19 105.70 3h72 n GLY 333 Ca 0.08 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 3h72 n GLY 333 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h72 s ARG 334 N -5.03 1.19 -1.64 1.61 0.52 -1.17 -0.51 118.95 113.92 3h72 s ARG 334 Ca 0.55 -0.95 -0.17 0.00 -0.52 0.00 0.00 55.73 54.64 3h72 s ARG 334 Cb -0.03 -1.32 0.13 0.00 0.52 0.00 0.00 34.95 34.25 3h72 s ARG 334 CO 0.40 0.33 0.86 0.09 0.02 0.00 0.00 175.30 177.00 3h72 n ASN 335 N 1.65 -3.88 0.00 0.23 3.02 0.12 -1.25 115.26 115.15 3h72 n ASN 335 Ca -0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 3h72 n ASN 335 Cb 0.54 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 3h72 n ASN 335 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h72 n GLY 336 N -1.52 0.85 3.95 7.41 0.00 -1.26 -5.04 105.19 109.58 3h72 n GLY 336 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3h72 n GLY 336 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h72 s LYS 337 N -0.07 3.42 0.78 1.61 1.02 -0.38 -5.08 119.74 121.04 3h72 s LYS 337 Ca 0.00 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 3h72 s LYS 337 Cb 0.00 -2.91 0.06 0.00 -0.52 0.00 0.00 37.83 34.45 3h72 s LYS 337 CO 0.00 0.47 1.09 -2.14 -0.92 0.00 0.00 175.35 173.85 3h72 s PRO 338 N -3.64 2.25 0.09 -1.68 0.02 -1.26 -3.07 135.00 127.72 3h72 s PRO 338 Ca 0.34 1.05 -0.01 0.00 0.02 0.00 0.00 61.00 62.40 3h72 s PRO 338 Cb -0.10 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.54 3h72 s PRO 338 CO 0.29 -1.62 0.13 0.27 -0.33 0.00 0.00 177.00 175.74 3h72 n ASN 339 N -3.49 0.09 0.31 2.53 2.04 0.13 -4.60 115.26 112.26 3h72 n ASN 339 Ca 0.08 -1.09 0.20 0.00 -0.44 0.00 0.00 54.58 53.33 3h72 n ASN 339 Cb 0.54 -0.09 1.09 0.00 -2.53 0.00 0.00 39.78 38.78 3h72 n ASN 339 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3h72 h LYS 340 N 0.00 0.00 -0.38 -3.83 2.10 -1.92 -0.23 116.57 112.32 3h72 h LYS 340 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3h72 h LYS 340 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3h72 h LYS 340 CO 0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.24 3h72 n ASP 341 N -2.91 3.29 0.00 7.07 8.00 -1.26 -4.94 116.55 125.80 3h72 n ASP 341 Ca -0.03 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.53 3h72 n ASP 341 Cb 0.08 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 3h72 n ASP 341 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h72 n GLY 342 N 1.29 0.41 3.48 0.44 0.00 -0.10 -5.04 105.19 105.68 3h72 n GLY 342 Ca 0.17 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 3h72 n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h72 s ILE 343 N -2.00 3.79 -0.05 -0.61 -1.09 -1.26 -4.72 121.20 115.26 3h72 s ILE 343 Ca 0.00 -0.39 -0.16 0.00 -2.23 0.00 0.00 60.65 57.87 3h72 s ILE 343 Cb 0.00 -2.65 -0.31 0.00 -1.58 0.00 0.00 42.46 37.92 3h72 s ILE 343 CO 0.00 0.50 0.73 0.11 -1.23 0.00 0.00 174.94 175.05 3h72 h LYS 344 N 6.72 0.35 -4.21 2.79 1.57 -1.40 0.36 116.57 122.75 3h72 h LYS 344 Ca -0.31 -0.60 -0.17 0.00 -1.87 0.00 0.00 60.65 57.70 3h72 h LYS 344 Cb 1.19 0.22 -0.19 0.00 0.08 0.00 0.00 32.23 33.54 3h72 h LYS 344 CO 0.62 1.29 -0.70 0.45 -0.57 0.00 0.00 179.45 180.54 3h72 s SER 345 N -7.19 0.49 0.00 0.86 0.15 -0.28 -0.95 113.70 106.78 3h72 s SER 345 Ca -0.16 -0.71 0.04 0.00 0.70 0.00 0.00 55.95 55.82 3h72 s SER 345 Cb 0.04 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 3h72 s SER 345 CO 0.83 -0.40 -0.11 -0.31 1.20 0.00 0.00 173.24 174.45 3h72 s TYR 346 N -2.44 1.02 0.26 3.44 2.02 -1.12 -0.53 117.35 120.00 3h72 s TYR 346 Ca -0.05 -0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 3h72 s TYR 346 Cb -0.03 -0.65 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 3h72 s TYR 346 CO -0.04 -0.01 0.51 1.03 -1.57 0.00 0.00 175.55 175.47 3h72 s ARG 347 N -0.43 1.60 -0.65 -0.62 0.52 -0.88 -1.07 118.95 117.42 3h72 s ARG 347 Ca 0.03 -1.24 -0.06 0.00 -0.52 0.00 0.00 55.73 53.95 3h72 s ARG 347 Cb -0.05 0.49 0.01 0.00 0.52 0.00 0.00 34.95 35.92 3h72 s ARG 347 CO -0.00 -0.68 0.67 -0.89 0.02 0.00 0.00 175.30 174.42 3h72 n ILE 348 N -0.40 -9.77 -2.40 1.52 2.08 -1.26 0.02 119.36 109.15 3h72 n ILE 348 Ca -0.02 0.09 -0.35 0.00 0.56 0.00 0.00 62.75 63.03 3h72 n ILE 348 Cb 0.61 -6.66 -0.02 0.00 -0.75 0.00 0.00 39.64 32.83 3h72 n ILE 348 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h72 s PRO 349 N -3.02 3.68 -0.06 0.38 0.04 -1.26 -4.04 135.00 130.72 3h72 s PRO 349 Ca 0.08 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 3h72 s PRO 349 Cb -0.02 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.39 3h72 s PRO 349 CO 0.77 -0.56 0.11 0.00 0.04 0.00 0.00 177.00 177.35 3h72 s ALA 350 N -1.80 -0.05 -0.10 8.56 0.00 -0.89 -4.23 121.76 123.26 3h72 s ALA 350 Ca 0.67 0.46 0.03 0.00 0.00 0.00 0.00 51.96 53.12 3h72 s ALA 350 Cb -0.22 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3h72 s ALA 350 CO 0.26 -0.35 -0.19 -1.17 0.00 0.00 0.00 175.76 174.31 3h72 s LEU 351 N 1.72 2.39 -0.06 0.00 2.96 -1.26 -0.17 118.68 124.26 3h72 s LEU 351 Ca -0.02 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 3h72 s LEU 351 Cb -0.12 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.10 3h72 s LEU 351 CO -0.05 0.20 0.00 -0.22 -1.32 0.00 0.00 176.35 174.97 3h72 s LEU 352 N 0.12 0.75 -0.31 -0.68 2.96 -0.01 -4.73 118.68 116.78 3h72 s LEU 352 Ca -0.09 -0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 53.60 3h72 s LEU 352 Cb -0.16 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 3h72 s LEU 352 CO 0.06 -0.16 0.43 -0.75 -1.32 0.00 0.00 176.35 174.60 3h72 s LYS 353 N 1.65 3.82 0.54 1.98 2.47 -1.26 -0.41 119.74 128.53 3h72 s LYS 353 Ca -0.00 -0.07 -0.00 0.00 -1.56 0.00 0.00 55.97 54.33 3h72 s LYS 353 Cb -0.13 -3.73 0.02 0.00 -1.46 0.00 0.00 37.83 32.54 3h72 s LYS 353 CO -0.03 -0.44 0.77 0.95 0.16 0.00 0.00 175.35 176.76 3h72 s THR 354 N 2.18 3.08 0.52 3.43 -4.23 0.19 -4.95 115.64 115.86 3h72 s THR 354 Ca 0.16 -0.54 0.23 0.00 -1.18 0.00 0.00 61.69 60.36 3h72 s THR 354 Cb -0.16 -3.17 0.37 0.00 1.34 0.00 0.00 72.50 70.88 3h72 s THR 354 CO 0.11 -0.13 2.03 -2.24 -0.54 0.00 0.00 174.62 173.85 3h72 h ASP 355 N 0.09 0.02 0.25 3.99 2.03 -1.95 0.24 116.42 121.08 3h72 h ASP 355 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3h72 h ASP 355 Cb 1.28 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3h72 h ASP 355 CO 0.55 0.01 -0.00 0.29 -1.03 0.00 0.00 179.24 179.05 3h72 n LYS 356 N -4.42 0.77 -0.08 4.15 5.02 -1.26 -4.87 118.16 117.47 3h72 n LYS 356 Ca 0.07 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3h72 n LYS 356 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3h72 n LYS 356 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h72 n GLY 357 N 1.13 1.11 3.75 0.72 0.00 0.83 -5.04 105.19 107.69 3h72 n GLY 357 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3h72 n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h72 s THR 358 N -2.48 2.72 -0.19 2.61 2.01 -1.26 -4.69 115.64 114.37 3h72 s THR 358 Ca 0.00 0.40 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 3h72 s THR 358 Cb 0.00 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3h72 s THR 358 CO 0.00 -0.15 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.45 3h72 s LEU 359 N -4.48 2.58 -0.19 4.42 2.96 -0.36 -0.64 118.68 122.96 3h72 s LEU 359 Ca 0.74 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 54.12 3h72 s LEU 359 Cb -0.27 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3h72 s LEU 359 CO 0.37 0.01 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.77 3h72 s ILE 360 N 1.26 3.89 -0.26 6.68 1.01 0.45 -1.01 121.20 133.23 3h72 s ILE 360 Ca 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 3h72 s ILE 360 Cb -0.14 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.59 3h72 s ILE 360 CO -0.06 0.44 -0.00 0.00 0.00 0.00 0.00 174.94 175.32 3h72 s ALA 361 N 0.94 2.87 0.29 9.38 0.00 -0.53 -0.83 121.76 133.88 3h72 s ALA 361 Ca 0.01 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 50.68 3h72 s ALA 361 Cb -0.14 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3h72 s ALA 361 CO 0.02 -0.73 0.25 0.20 0.00 0.00 0.00 175.76 175.49 3h72 s GLY 362 N 1.44 1.55 0.01 0.00 0.00 0.75 -1.27 107.32 109.81 3h72 s GLY 362 Ca 0.03 -1.51 -0.29 0.00 0.00 0.00 0.00 44.72 42.95 3h72 s GLY 362 CO -0.01 -1.50 1.05 0.00 0.00 0.00 0.00 173.10 172.64 3h72 s ALA 363 N -2.20 -1.90 -0.19 3.20 0.00 -0.48 -2.09 121.76 118.09 3h72 s ALA 363 Ca 0.36 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 3h72 s ALA 363 Cb -0.07 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 3h72 s ALA 363 CO 0.26 -0.86 0.68 -0.51 0.00 0.00 0.00 175.76 175.32 3h72 s ASP 364 N -2.68 6.75 -0.70 0.00 1.11 0.10 -2.19 116.67 119.06 3h72 s ASP 364 Ca 0.10 0.91 -0.17 0.00 0.18 0.00 0.00 52.55 53.57 3h72 s ASP 364 Cb 0.00 -2.37 0.15 0.00 1.07 0.00 0.00 42.92 41.77 3h72 s ASP 364 CO -0.04 -0.30 0.73 -0.70 1.18 0.00 0.00 175.17 176.04 3h72 s GLU 365 N 1.97 3.28 -0.89 8.23 2.12 0.49 -2.06 118.70 131.84 3h72 s GLU 365 Ca 0.31 -1.83 -0.18 0.00 0.36 0.00 0.00 54.97 53.63 3h72 s GLU 365 Cb -0.16 -4.41 0.14 0.00 0.26 0.00 0.00 34.13 29.96 3h72 s GLU 365 CO 0.11 -1.45 1.04 1.03 -0.54 0.00 0.00 175.26 175.45 3h72 s ARG 366 N 1.64 3.56 0.12 4.30 0.52 0.32 -1.87 118.95 127.54 3h72 s ARG 366 Ca 0.14 -1.83 -0.20 0.00 -0.52 0.00 0.00 55.73 53.32 3h72 s ARG 366 Cb -0.19 -4.77 -0.05 0.00 0.52 0.00 0.00 34.95 30.46 3h72 s ARG 366 CO -0.01 -1.68 1.73 -0.09 0.02 0.00 0.00 175.30 175.27 3h72 h ARG 367 N 8.69 0.09 0.00 3.54 2.43 -1.70 -0.72 114.38 126.72 3h72 h ARG 367 Ca 0.11 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.06 3h72 h ARG 367 Cb 1.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 3h72 h ARG 367 CO 1.05 0.06 -1.30 -0.07 -1.51 0.00 0.00 179.97 178.20 3h72 h LEU 368 N 0.09 0.00 -7.82 3.80 3.38 -1.90 -1.85 115.31 111.01 3h72 h LEU 368 Ca 0.08 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.37 3h72 h LEU 368 Cb 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3h72 h LEU 368 CO -0.11 0.82 0.85 -1.38 0.09 0.00 0.00 178.44 178.72 3h72 s HIS 369 N -2.76 0.02 -2.24 1.13 -3.43 -1.26 -4.91 115.29 101.84 3h72 s HIS 369 Ca -0.02 -0.17 0.28 0.00 -0.80 0.00 0.00 55.06 54.36 3h72 s HIS 369 Cb 0.09 0.57 1.06 0.00 -1.43 0.00 0.00 32.58 32.87 3h72 s HIS 369 CO 0.81 -0.35 1.75 0.43 -2.00 0.00 0.00 174.74 175.38 3h72 n SER 370 N -0.98 1.22 -4.73 7.38 7.64 -1.26 -4.62 113.62 118.27 3h72 n SER 370 Ca 0.01 -1.27 -0.30 0.00 1.01 0.00 0.00 58.87 58.31 3h72 n SER 370 Cb 0.59 0.02 0.12 0.00 -1.01 0.00 0.00 64.21 63.94 3h72 n SER 370 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h72 s SER 371 N -2.14 3.83 0.00 6.43 0.01 -1.26 -4.90 113.70 115.66 3h72 s SER 371 Ca 0.35 1.64 -0.04 0.00 1.31 0.00 0.00 55.95 59.21 3h72 s SER 371 Cb 0.21 -2.32 -0.19 0.00 0.21 0.00 0.00 66.02 63.92 3h72 s SER 371 CO 0.39 -2.44 3.05 0.47 0.41 0.00 0.00 173.24 175.12 3h72 n ASP 372 N -3.77 4.97 -2.39 2.44 8.00 -1.26 -4.78 116.55 119.76 3h72 n ASP 372 Ca 0.08 -2.40 -0.00 0.00 0.71 0.00 0.00 54.79 53.18 3h72 n ASP 372 Cb 0.54 -1.27 0.01 0.00 -0.02 0.00 0.00 41.12 40.38 3h72 n ASP 372 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3h72 n TRP 373 N 2.27 -0.66 -0.32 1.24 2.14 -1.26 -4.38 117.44 116.47 3h72 n TRP 373 Ca 0.30 -0.55 0.00 0.00 2.07 0.00 0.00 57.50 59.32 3h72 n TRP 373 Cb 0.77 0.26 0.00 0.00 -0.81 0.00 0.00 31.31 31.53 3h72 n TRP 373 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3h72 n GLY 374 N -0.45 -1.44 3.48 -1.67 0.00 -1.25 -4.79 105.19 99.08 3h72 n GLY 374 Ca 0.01 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3h72 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h72 s ASP 375 N -4.00 6.20 -0.10 1.61 2.15 -1.26 -4.52 116.67 116.75 3h72 s ASP 375 Ca 0.00 -0.89 0.03 0.00 0.43 0.00 0.00 52.55 52.12 3h72 s ASP 375 Cb 0.00 -2.46 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 3h72 s ASP 375 CO 0.00 -1.55 -0.18 -0.63 -0.17 0.00 0.00 175.17 172.64 3h72 s ILE 376 N 4.53 1.66 0.05 4.11 1.01 -1.26 -2.65 121.20 128.65 3h72 s ILE 376 Ca 0.27 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.19 3h72 s ILE 376 Cb -0.13 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3h72 s ILE 376 CO 0.10 0.47 -0.01 -0.83 0.00 0.00 0.00 174.94 174.67 3h72 s GLY 377 N 0.65 1.88 -0.36 6.18 0.00 -0.78 -4.17 107.32 110.72 3h72 s GLY 377 Ca -0.13 -1.05 -0.20 0.00 0.00 0.00 0.00 44.72 43.34 3h72 s GLY 377 CO 0.04 -0.98 0.62 1.06 0.00 0.00 0.00 173.10 173.84 3h72 s MET 378 N -1.95 3.64 0.21 2.90 1.00 0.20 -0.38 119.30 124.92 3h72 s MET 378 Ca 0.23 -0.01 0.03 0.00 0.00 0.00 0.00 55.69 55.94 3h72 s MET 378 Cb -0.12 -3.82 -0.05 0.00 0.00 0.00 0.00 34.83 30.85 3h72 s MET 378 CO 0.14 -0.74 -0.02 0.14 0.00 0.00 0.00 175.02 174.54 3h72 s VAL 379 N 2.68 0.98 0.15 -6.03 -7.23 -0.93 -0.06 120.40 109.96 3h72 s VAL 379 Ca 0.23 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.30 3h72 s VAL 379 Cb -0.15 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3h72 s VAL 379 CO 0.15 -0.42 0.25 0.27 -0.31 0.00 0.00 175.10 175.04 3h72 s ILE 380 N -3.46 0.08 0.03 -0.62 -4.36 -0.03 -1.39 121.20 111.46 3h72 s ILE 380 Ca 0.26 -1.40 0.03 0.00 -0.26 0.00 0.00 60.65 59.27 3h72 s ILE 380 Cb 0.05 -1.77 -0.02 0.00 1.25 0.00 0.00 42.46 41.97 3h72 s ILE 380 CO 0.07 -0.38 -0.09 -0.13 0.24 0.00 0.00 174.94 174.65 3h72 s ARG 381 N -3.96 0.62 -0.00 0.37 0.52 -0.39 -0.37 118.95 115.74 3h72 s ARG 381 Ca 0.16 -0.61 0.06 0.00 -0.52 0.00 0.00 55.73 54.81 3h72 s ARG 381 Cb 0.04 -0.51 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 3h72 s ARG 381 CO -0.02 0.12 -0.17 1.03 0.02 0.00 0.00 175.30 176.28 3h72 s ARG 382 N -1.07 2.26 -0.10 3.54 0.52 -1.26 -1.46 118.95 121.38 3h72 s ARG 382 Ca -0.03 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 3h72 s ARG 382 Cb -0.07 -2.26 0.02 0.00 0.52 0.00 0.00 34.95 33.15 3h72 s ARG 382 CO 0.01 0.58 -0.14 0.45 0.02 0.00 0.00 175.30 176.21 3h72 s SER 383 N -1.08 2.30 0.00 0.23 0.15 -0.18 -1.21 113.70 113.91 3h72 s SER 383 Ca 0.13 -0.39 0.20 0.00 0.70 0.00 0.00 55.95 56.58 3h72 s SER 383 Cb -0.11 -1.02 0.36 0.00 -1.71 0.00 0.00 66.02 63.54 3h72 s SER 383 CO 0.03 -0.00 1.30 -0.62 1.20 0.00 0.00 173.24 175.15 3h72 n GLU 384 N 4.24 2.28 -1.60 5.44 1.02 -1.26 -1.23 120.64 129.54 3h72 n GLU 384 Ca -0.19 -2.10 -0.10 0.00 -0.02 0.00 0.00 57.16 54.76 3h72 n GLU 384 Cb 0.51 -1.43 0.09 0.00 -0.02 0.00 0.00 31.44 30.58 3h72 n GLU 384 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h72 n ASP 385 N 1.22 3.28 -2.63 1.62 5.68 -1.26 -4.93 116.55 119.52 3h72 n ASP 385 Ca 0.16 -3.52 -0.19 0.00 -0.50 0.00 0.00 54.79 50.74 3h72 n ASP 385 Cb 0.53 -0.41 0.03 0.00 -1.14 0.00 0.00 41.12 40.13 3h72 n ASP 385 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3h72 n ASN 386 N -0.76 -5.56 0.00 -1.12 5.15 -1.26 -3.21 115.26 108.51 3h72 n ASN 386 Ca 0.30 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 3h72 n ASN 386 Cb 0.87 -4.39 0.00 0.00 -0.53 0.00 0.00 39.78 35.73 3h72 n ASN 386 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h72 n GLY 387 N -1.42 0.60 0.15 8.20 0.00 -1.26 -4.98 105.19 106.48 3h72 n GLY 387 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 3h72 n GLY 387 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h72 h LYS 388 N 4.57 -0.25 -5.85 1.61 1.63 -1.96 -3.46 116.57 112.86 3h72 h LYS 388 Ca 0.00 0.02 -0.51 0.00 -0.85 0.00 0.00 60.65 59.31 3h72 h LYS 388 Cb 0.00 0.06 -0.22 0.00 -0.60 0.00 0.00 32.23 31.47 3h72 h LYS 388 CO 0.00 0.14 -0.81 0.95 -3.45 0.00 0.00 179.45 176.28 3h72 s THR 389 N -3.95 1.48 0.05 1.00 -4.23 -1.26 -5.11 115.64 103.61 3h72 s THR 389 Ca -0.14 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.02 3h72 s THR 389 Cb 0.01 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 3h72 s THR 389 CO 0.52 -0.10 -0.17 0.26 -0.54 0.00 0.00 174.62 174.59 3h72 s TRP 390 N -1.16 1.52 0.34 3.99 0.52 -1.26 -4.31 118.94 118.58 3h72 s TRP 390 Ca 0.03 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 55.75 3h72 s TRP 390 Cb -0.10 -0.90 0.07 0.00 -1.15 0.00 0.00 33.47 31.40 3h72 s TRP 390 CO 0.03 0.07 0.46 0.41 0.02 0.00 0.00 176.95 177.94 3h72 n GLY 391 N 1.82 -0.57 3.77 0.98 0.00 -0.35 -4.97 105.19 105.87 3h72 n GLY 391 Ca -0.18 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 3h72 n GLY 391 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h72 s ASP 392 N -2.73 4.54 0.28 1.61 1.01 -1.26 -4.59 116.67 115.54 3h72 s ASP 392 Ca 0.27 1.85 -0.30 0.00 0.71 0.00 0.00 52.55 55.08 3h72 s ASP 392 Cb -0.01 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.29 3h72 s ASP 392 CO 0.19 -2.01 1.51 -0.13 0.21 0.00 0.00 175.17 174.94 3h72 s ARG 393 N -4.81 4.19 -0.19 8.23 0.52 -1.26 -4.60 118.95 121.03 3h72 s ARG 393 Ca 0.62 2.45 -0.01 0.00 -0.52 0.00 0.00 55.73 58.26 3h72 s ARG 393 Cb -0.18 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.24 3h72 s ARG 393 CO 0.54 -0.52 -0.12 0.08 0.02 0.00 0.00 175.30 175.31 3h72 s VAL 394 N -0.11 2.82 -0.23 3.52 1.01 0.50 -4.97 120.40 122.94 3h72 s VAL 394 Ca 0.60 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3h72 s VAL 394 Cb -0.45 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3h72 s VAL 394 CO 0.47 0.48 0.47 -0.89 0.00 0.00 0.00 175.10 175.63 3h72 s THR 395 N 1.24 5.13 -0.13 3.92 2.01 -1.26 -0.85 115.64 125.70 3h72 s THR 395 Ca 0.03 0.82 -0.28 0.00 0.31 0.00 0.00 61.69 62.56 3h72 s THR 395 Cb -0.14 -3.79 -0.27 0.00 0.01 0.00 0.00 72.50 68.31 3h72 s THR 395 CO -0.05 0.16 0.78 0.40 -0.69 0.00 0.00 174.62 175.22 3h72 h ILE 396 N 5.23 1.77 -2.47 1.82 2.04 -0.83 -3.41 117.51 121.65 3h72 h ILE 396 Ca -0.32 -2.37 -0.09 0.00 1.00 0.00 0.00 64.86 63.08 3h72 h ILE 396 Cb 1.15 3.38 -0.23 0.00 -0.74 0.00 0.00 36.82 40.38 3h72 h ILE 396 CO 0.71 0.62 -0.13 -0.89 0.00 0.00 0.00 178.15 178.46 3h72 s THR 397 N -2.25 -0.00 -0.36 -0.27 2.01 -1.13 -4.69 115.64 108.94 3h72 s THR 397 Ca -0.18 0.01 0.05 0.00 0.31 0.00 0.00 61.69 61.88 3h72 s THR 397 Cb -0.03 -0.73 0.17 0.00 0.01 0.00 0.00 72.50 71.93 3h72 s THR 397 CO 0.70 0.01 0.51 0.21 -0.69 0.00 0.00 174.62 175.36 3h72 s ASN 398 N 0.55 -0.44 0.33 3.53 3.84 -0.36 -0.62 114.94 121.76 3h72 s ASN 398 Ca -0.02 -0.84 -0.29 0.00 0.21 0.00 0.00 52.86 51.92 3h72 s ASN 398 Cb -0.04 1.42 -0.11 0.00 -0.55 0.00 0.00 41.25 41.97 3h72 s ASN 398 CO -0.03 -0.24 1.47 -0.76 -2.79 0.00 0.00 177.10 174.75 3h72 s LEU 399 N 1.96 4.35 0.48 3.21 1.43 -1.26 -3.94 118.68 124.91 3h72 s LEU 399 Ca 0.14 2.92 -0.23 0.00 -1.03 0.00 0.00 54.13 55.94 3h72 s LEU 399 Cb -0.09 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 3h72 s LEU 399 CO -0.12 -0.80 1.22 0.00 0.23 0.00 0.00 176.35 176.87 3h72 s ARG 400 N -1.47 3.62 0.70 1.70 1.70 -1.20 -4.77 118.95 119.24 3h72 s ARG 400 Ca 0.55 1.90 -0.11 0.00 -0.47 0.00 0.00 55.73 57.60 3h72 s ARG 400 Cb -0.45 -2.38 0.01 0.00 -0.57 0.00 0.00 34.95 31.56 3h72 s ARG 400 CO 0.55 -0.70 1.07 0.16 -1.08 0.00 0.00 175.30 175.30 3h72 s ASP 401 N -1.24 5.38 -0.49 -2.89 -4.77 -1.26 -4.35 116.67 107.05 3h72 s ASP 401 Ca 0.65 1.46 -0.29 0.00 -3.30 0.00 0.00 52.55 51.08 3h72 s ASP 401 Cb -0.32 -2.33 0.02 0.00 -1.09 0.00 0.00 42.92 39.20 3h72 s ASP 401 CO 0.38 -1.42 1.30 0.21 0.70 0.00 0.00 175.17 176.34 3h72 s ASN 402 N -3.96 6.39 0.34 2.11 3.84 0.18 -4.87 114.94 118.98 3h72 s ASN 402 Ca 0.58 0.50 0.24 0.00 0.21 0.00 0.00 52.86 54.39 3h72 s ASN 402 Cb -0.13 -2.55 1.23 0.00 -0.55 0.00 0.00 41.25 39.25 3h72 s ASN 402 CO 0.54 -1.45 1.74 1.55 -2.79 0.00 0.00 177.10 176.69 3h72 h PRO 403 N 10.20 0.00 -0.16 0.43 0.13 -1.93 -2.39 132.00 138.28 3h72 h PRO 403 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3h72 h PRO 403 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3h72 h PRO 403 CO 1.13 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.53 3h72 n LYS 404 N -2.35 1.94 -1.84 0.86 4.76 -1.26 -4.99 118.16 115.27 3h72 n LYS 404 Ca -0.00 -1.84 -0.41 0.00 -2.87 0.00 0.00 58.31 53.18 3h72 n LYS 404 Cb 0.10 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 31.89 3h72 n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h72 s ALA 405 N -1.46 3.66 0.25 7.82 0.00 -0.90 -4.80 121.76 126.33 3h72 s ALA 405 Ca 0.27 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.74 3h72 s ALA 405 Cb 0.17 -3.61 0.32 0.00 0.00 0.00 0.00 23.12 20.00 3h72 s ALA 405 CO 0.25 -0.94 1.69 0.77 0.00 0.00 0.00 175.76 177.53 3h72 h SER 406 N 4.27 0.62 -3.71 0.00 0.02 -1.94 -3.38 113.55 109.43 3h72 h SER 406 Ca -0.48 -0.21 -0.66 0.00 -0.84 0.00 0.00 61.79 59.60 3h72 h SER 406 Cb 1.23 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.20 3h72 h SER 406 CO 0.74 0.83 -0.73 -0.62 -1.14 0.00 0.00 176.83 175.91 3h72 s ASP 407 N -6.77 4.73 0.58 3.07 -1.08 -1.26 -4.99 116.67 110.95 3h72 s ASP 407 Ca -0.08 -2.06 0.28 0.00 -0.52 0.00 0.00 52.55 50.18 3h72 s ASP 407 Cb 0.14 -1.62 1.75 0.00 -1.46 0.00 0.00 42.92 41.72 3h72 s ASP 407 CO 0.81 -0.36 2.22 1.55 0.52 0.00 0.00 175.17 179.92 3h72 h PRO 408 N 7.63 0.00 0.00 4.34 0.13 -1.92 -0.79 132.00 141.39 3h72 h PRO 408 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3h72 h PRO 408 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 3h72 h PRO 408 CO 0.51 0.00 -0.02 0.77 -0.23 0.00 0.00 178.00 179.03 3h72 h SER 409 N 0.00 0.00 0.00 1.44 0.02 -1.97 -1.99 113.55 111.05 3h72 h SER 409 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3h72 h SER 409 Cb 0.08 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 3h72 h SER 409 CO -0.00 0.02 -0.40 2.30 -1.14 0.00 0.00 176.83 177.61 3h72 n ILE 410 N -3.27 0.76 -1.17 3.27 -5.35 -0.86 -3.75 119.36 108.99 3h72 n ILE 410 Ca -0.02 -1.07 -0.17 0.00 -0.27 0.00 0.00 62.75 61.22 3h72 n ILE 410 Cb 0.16 0.27 0.23 0.00 -1.74 0.00 0.00 39.64 38.55 3h72 n ILE 410 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h72 n GLY 411 N -0.48 4.21 2.96 3.28 0.00 -0.36 -3.34 105.19 111.47 3h72 n GLY 411 Ca 0.07 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3h72 n GLY 411 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h72 s SER 412 N -1.26 0.07 0.61 1.61 0.15 -1.26 -0.64 113.70 112.98 3h72 s SER 412 Ca 0.56 -0.16 -0.19 0.00 0.70 0.00 0.00 55.95 56.86 3h72 s SER 412 Cb 0.46 0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3h72 s SER 412 CO 0.11 -0.16 1.17 -2.65 1.20 0.00 0.00 173.24 172.91 3h72 n PRO 413 N 2.33 1.10 -4.95 5.44 -0.02 -1.26 -3.86 135.00 133.79 3h72 n PRO 413 Ca -0.18 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.40 3h72 n PRO 413 Cb 0.57 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.53 3h72 n PRO 413 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h72 s VAL 414 N -1.42 2.87 -0.04 -1.45 1.01 0.16 -4.65 120.40 116.88 3h72 s VAL 414 Ca 0.78 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.04 3h72 s VAL 414 Cb -0.40 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3h72 s VAL 414 CO 0.44 0.58 -0.22 0.20 0.00 0.00 0.00 175.10 176.09 3h72 s ASN 415 N -0.47 2.74 -0.21 3.32 0.01 -1.26 -0.24 114.94 118.83 3h72 s ASN 415 Ca 0.06 -0.44 -0.27 0.00 -0.71 0.00 0.00 52.86 51.50 3h72 s ASN 415 Cb -0.12 -0.63 0.07 0.00 0.41 0.00 0.00 41.25 40.99 3h72 s ASN 415 CO 0.02 0.23 0.71 -0.51 -1.51 0.00 0.00 177.10 176.04 3h72 s ILE 416 N -0.22 0.00 0.12 0.60 2.07 -0.92 -4.64 121.20 118.21 3h72 s ILE 416 Ca -0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 3h72 s ILE 416 Cb -0.12 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.47 3h72 s ILE 416 CO 0.02 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 173.52 3h72 n ASP 417 N 2.19 -7.79 -4.38 4.50 8.00 -1.26 -1.45 116.55 116.37 3h72 n ASP 417 Ca -0.15 1.25 -0.22 0.00 0.71 0.00 0.00 54.79 56.38 3h72 n ASP 417 Cb 0.56 -4.32 -0.10 0.00 -0.02 0.00 0.00 41.12 37.23 3h72 n ASP 417 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h72 s MET 418 N -1.03 1.42 -0.07 -1.24 0.23 -1.26 -3.04 119.30 114.32 3h72 s MET 418 Ca 0.00 -1.58 0.02 0.00 -1.03 0.00 0.00 55.69 53.10 3h72 s MET 418 Cb 0.00 -1.41 0.01 0.00 -1.53 0.00 0.00 34.83 31.90 3h72 s MET 418 CO 0.00 0.27 -0.13 0.08 -2.03 0.00 0.00 175.02 173.20 3h72 s VAL 419 N -2.48 1.21 0.11 5.16 1.01 0.52 -1.83 120.40 124.11 3h72 s VAL 419 Ca 0.22 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3h72 s VAL 419 Cb -0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3h72 s VAL 419 CO 0.09 0.37 0.01 -0.76 0.00 0.00 0.00 175.10 174.82 3h72 s LEU 420 N 0.63 3.47 -0.22 3.92 1.43 -0.60 -1.16 118.68 126.16 3h72 s LEU 420 Ca -0.15 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 3h72 s LEU 420 Cb -0.16 -2.18 0.13 0.00 0.03 0.00 0.00 46.19 44.01 3h72 s LEU 420 CO 0.04 0.15 1.06 0.54 0.23 0.00 0.00 176.35 178.37 3h72 s VAL 421 N -1.43 0.00 -0.06 -1.59 0.11 -0.91 -0.48 120.40 116.05 3h72 s VAL 421 Ca 0.27 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.38 3h72 s VAL 421 Cb -0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 3h72 s VAL 421 CO 0.19 0.00 -0.25 -1.58 -3.33 0.00 0.00 175.10 170.13 3h72 s GLN 422 N -0.53 2.55 -0.26 1.54 0.74 -1.26 -0.48 119.66 121.97 3h72 s GLN 422 Ca 0.01 -0.90 -0.29 0.00 0.05 0.00 0.00 55.36 54.24 3h72 s GLN 422 Cb -0.02 -2.17 0.01 0.00 1.10 0.00 0.00 33.01 31.92 3h72 s GLN 422 CO -0.03 0.39 1.09 0.34 -0.55 0.00 0.00 175.29 176.53 3h72 s ASP 423 N -0.19 7.00 0.55 6.67 -1.08 -0.27 -4.85 116.67 124.51 3h72 s ASP 423 Ca -0.03 1.29 0.37 0.00 -0.52 0.00 0.00 52.55 53.66 3h72 s ASP 423 Cb -0.14 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.58 3h72 s ASP 423 CO 0.03 -0.77 2.10 1.55 0.52 0.00 0.00 175.17 178.61 3h72 h PRO 424 N 7.85 0.00 0.00 4.34 0.13 -1.95 0.27 132.00 142.64 3h72 h PRO 424 Ca -0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 3h72 h PRO 424 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h72 h PRO 424 CO 1.00 0.00 -0.30 1.49 -0.23 0.00 0.00 178.00 179.96 3h72 h GLU 425 N 0.00 0.00 0.00 0.86 4.57 -1.97 -3.39 114.58 114.65 3h72 h GLU 425 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3h72 h GLU 425 Cb 0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3h72 h GLU 425 CO 0.00 0.09 -0.23 1.79 -1.18 0.00 0.00 179.01 179.48 3h72 h THR 426 N -1.00 0.34 0.00 0.32 1.35 -1.98 -3.47 112.91 108.47 3h72 h THR 426 Ca -0.02 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 3h72 h THR 426 Cb 0.35 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3h72 h THR 426 CO -0.01 0.20 0.00 0.29 -0.25 0.00 0.00 175.52 175.74 3h72 n LYS 427 N -3.14 -0.02 -2.17 4.72 4.76 0.93 -4.99 118.16 118.25 3h72 n LYS 427 Ca 0.03 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 3h72 n LYS 427 Cb 0.61 -2.91 -0.03 0.00 -1.84 0.00 0.00 35.03 30.87 3h72 n LYS 427 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3h72 s ARG 428 N -0.20 4.40 -0.15 1.97 3.52 -1.25 -4.71 118.95 122.53 3h72 s ARG 428 Ca 0.00 2.14 -0.04 0.00 -0.13 0.00 0.00 55.73 57.70 3h72 s ARG 428 Cb 0.00 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 3h72 s ARG 428 CO 0.00 -0.15 -0.01 0.42 -0.81 0.00 0.00 175.30 174.75 3h72 s ILE 429 N -0.93 4.16 -0.00 4.11 1.01 -0.29 -1.12 121.20 128.14 3h72 s ILE 429 Ca 0.50 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.92 3h72 s ILE 429 Cb -0.38 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3h72 s ILE 429 CO 0.49 0.50 -0.12 -0.36 0.00 0.00 0.00 174.94 175.45 3h72 s PHE 430 N 0.18 2.75 -0.16 3.97 0.08 0.37 -0.47 117.98 124.70 3h72 s PHE 430 Ca 0.00 -0.13 -0.00 0.00 0.12 0.00 0.00 56.93 56.92 3h72 s PHE 430 Cb -0.13 -1.58 0.04 0.00 -0.57 0.00 0.00 43.02 40.78 3h72 s PHE 430 CO 0.02 0.29 -0.07 0.45 -0.10 0.00 0.00 175.22 175.81 3h72 s SER 431 N -1.24 2.77 -0.12 1.36 0.15 0.11 -2.14 113.70 114.59 3h72 s SER 431 Ca 0.15 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 56.20 3h72 s SER 431 Cb -0.11 -0.97 -0.01 0.00 -1.71 0.00 0.00 66.02 63.22 3h72 s SER 431 CO 0.05 -0.15 -0.16 -0.63 1.20 0.00 0.00 173.24 173.55 3h72 s ILE 432 N 1.60 2.83 0.20 6.45 1.01 -0.31 -1.11 121.20 131.87 3h72 s ILE 432 Ca 0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 3h72 s ILE 432 Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3h72 s ILE 432 CO -0.08 0.54 0.35 -0.72 0.00 0.00 0.00 174.94 175.02 3h72 s TYR 433 N 0.28 0.43 0.54 3.97 -0.85 -0.47 -0.36 117.35 120.89 3h72 s TYR 433 Ca -0.11 -0.78 -0.11 0.00 -0.52 0.00 0.00 57.07 55.55 3h72 s TYR 433 Cb -0.16 0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.13 3h72 s TYR 433 CO 0.06 -0.82 0.93 -0.51 -1.52 0.00 0.00 175.55 173.69 3h72 s ASP 434 N -3.00 6.35 -0.05 -0.18 1.01 -0.53 -0.54 116.67 119.74 3h72 s ASP 434 Ca 0.21 1.29 -0.03 0.00 0.71 0.00 0.00 52.55 54.73 3h72 s ASP 434 Cb 0.02 -2.41 0.02 0.00 1.01 0.00 0.00 42.92 41.57 3h72 s ASP 434 CO 0.04 -0.69 0.12 -0.32 0.21 0.00 0.00 175.17 174.54 3h72 s MET 435 N -4.70 0.11 0.02 8.23 1.75 -0.34 -2.17 119.30 122.20 3h72 s MET 435 Ca 0.53 0.24 0.01 0.00 -1.25 0.00 0.00 55.69 55.23 3h72 s MET 435 Cb -0.11 -0.04 -0.01 0.00 2.84 0.00 0.00 34.83 37.51 3h72 s MET 435 CO 0.45 -0.08 -0.05 -0.06 -0.65 0.00 0.00 175.02 174.63 3h72 s PHE 436 N 0.52 0.47 1.04 4.11 0.08 0.67 -0.93 117.98 123.94 3h72 s PHE 436 Ca -0.04 -0.29 -0.18 0.00 0.12 0.00 0.00 56.93 56.55 3h72 s PHE 436 Cb -0.05 -0.29 0.25 0.00 -0.57 0.00 0.00 43.02 42.36 3h72 s PHE 436 CO -0.02 -0.06 1.04 -0.35 -0.10 0.00 0.00 175.22 175.73 3h72 n PRO 437 N 2.23 -2.44 -1.60 0.24 -0.04 -1.26 0.37 135.00 132.50 3h72 n PRO 437 Ca -0.18 -1.65 -0.55 0.00 -0.04 0.00 0.00 63.50 61.08 3h72 n PRO 437 Cb 0.57 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 3h72 n PRO 437 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3h72 n GLU 438 N -4.24 0.81 -2.37 0.54 2.13 0.02 -4.08 120.64 113.45 3h72 n GLU 438 Ca 0.14 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.25 3h72 n GLU 438 Cb 0.53 -1.90 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3h72 n GLU 438 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h72 n GLY 439 N 2.62 -0.08 2.19 8.31 0.00 -1.21 -4.68 105.19 112.34 3h72 n GLY 439 Ca 0.21 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 3h72 n GLY 439 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h72 n LYS 440 N 0.00 2.24 0.00 1.61 5.02 -1.26 -4.22 118.16 121.55 3h72 n LYS 440 Ca 0.00 -2.92 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 3h72 n LYS 440 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 3h72 n LYS 440 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h72 n GLY 441 N -1.07 3.01 0.28 0.72 0.00 -1.26 -1.55 105.19 105.33 3h72 n GLY 441 Ca 0.58 -0.17 0.19 0.00 0.00 0.00 0.00 46.02 46.62 3h72 n GLY 441 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h72 h ILE 442 N 0.00 0.00 -0.52 -0.61 2.10 -1.97 -1.53 117.51 114.97 3h72 h ILE 442 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 3h72 h ILE 442 Cb 0.00 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 3h72 h ILE 442 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 3h72 n PHE 443 N -2.92 0.69 -1.19 2.19 3.01 -0.59 -4.05 117.46 114.61 3h72 n PHE 443 Ca -0.01 -0.35 0.04 0.00 1.01 0.00 0.00 57.45 58.14 3h72 n PHE 443 Cb 0.16 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.69 3h72 n PHE 443 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h72 n GLY 444 N 1.40 2.26 3.78 1.37 0.00 -0.58 -4.88 105.19 108.54 3h72 n GLY 444 Ca 0.19 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3h72 n GLY 444 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h72 s MET 445 N -1.33 3.99 0.53 1.61 -1.94 -1.22 -4.78 119.30 116.16 3h72 s MET 445 Ca 0.13 1.66 -0.06 0.00 -1.71 0.00 0.00 55.69 55.71 3h72 s MET 445 Cb 0.11 -2.50 -0.02 0.00 2.01 0.00 0.00 34.83 34.43 3h72 s MET 445 CO 0.01 -0.33 0.84 -1.12 -0.01 0.00 0.00 175.02 174.41 3h72 s SER 446 N -1.43 5.97 0.41 3.03 0.01 -1.26 -4.99 113.70 115.44 3h72 s SER 446 Ca 0.60 0.84 0.22 0.00 1.31 0.00 0.00 55.95 58.93 3h72 s SER 446 Cb -0.26 -2.01 0.55 0.00 0.21 0.00 0.00 66.02 64.52 3h72 s SER 446 CO 0.32 -0.80 1.67 0.77 0.41 0.00 0.00 173.24 175.61 3h72 h SER 447 N 0.04 0.00 -3.24 2.44 4.64 -2.00 -3.44 113.55 111.98 3h72 h SER 447 Ca -0.46 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.20 3h72 h SER 447 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 3h72 h SER 447 CO 0.61 0.20 -0.60 -1.10 -0.87 0.00 0.00 176.83 175.07 3h72 s GLN 448 N -3.32 3.36 0.49 4.77 -1.52 -1.26 -5.08 119.66 117.10 3h72 s GLN 448 Ca 0.04 -0.38 -0.21 0.00 -1.95 0.00 0.00 55.36 52.86 3h72 s GLN 448 Cb 0.08 -2.95 -0.07 0.00 -0.22 0.00 0.00 33.01 29.84 3h72 s GLN 448 CO 0.67 0.54 1.09 0.21 -0.25 0.00 0.00 175.29 177.55 3h72 s LYS 449 N -0.43 3.69 -0.14 2.91 2.20 -1.26 -5.05 119.74 121.66 3h72 s LYS 449 Ca 0.08 1.53 -0.01 0.00 -0.36 0.00 0.00 55.97 57.22 3h72 s LYS 449 Cb -0.12 -2.17 0.04 0.00 -1.51 0.00 0.00 37.83 34.07 3h72 s LYS 449 CO 0.02 -0.55 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.19 3h72 s GLU 450 N -3.07 1.39 0.13 4.03 2.02 -1.26 -5.10 118.70 116.84 3h72 s GLU 450 Ca 0.67 -0.38 -0.34 0.00 0.02 0.00 0.00 54.97 54.94 3h72 s GLU 450 Cb -0.21 -1.80 -0.14 0.00 0.10 0.00 0.00 34.13 32.08 3h72 s GLU 450 CO 0.25 -0.37 1.59 0.39 0.02 0.00 0.00 175.26 177.14 3h72 n GLU 451 N 4.92 2.07 -0.03 1.61 -0.58 -1.26 -4.73 120.64 122.65 3h72 n GLU 451 Ca -0.12 0.75 0.05 0.00 -0.42 0.00 0.00 57.16 57.42 3h72 n GLU 451 Cb 0.49 -2.51 -0.16 0.00 -0.57 0.00 0.00 31.44 28.68 3h72 n GLU 451 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h72 n ALA 452 N 3.66 2.43 -2.54 0.62 0.00 -1.26 -4.64 120.51 118.78 3h72 n ALA 452 Ca 0.18 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 3h72 n ALA 452 Cb 0.28 -0.63 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 3h72 n ALA 452 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h72 s TYR 453 N -3.23 0.74 -0.03 0.00 1.51 -1.26 -0.90 117.35 114.18 3h72 s TYR 453 Ca -0.08 -0.70 0.02 0.00 -1.01 0.00 0.00 57.07 55.29 3h72 s TYR 453 Cb 0.12 -0.44 0.01 0.00 -0.11 0.00 0.00 41.96 41.53 3h72 s TYR 453 CO 0.88 -0.13 -0.06 0.21 -1.11 0.00 0.00 175.55 175.34 3h72 s LYS 454 N -2.63 0.80 -0.23 -0.62 2.20 -0.12 -4.88 119.74 114.26 3h72 s LYS 454 Ca -0.00 -0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.28 3h72 s LYS 454 Cb -0.03 -0.78 -0.04 0.00 -1.51 0.00 0.00 37.83 35.47 3h72 s LYS 454 CO -0.02 0.04 0.27 0.21 -0.36 0.00 0.00 175.35 175.48 3h72 s LYS 455 N 0.41 4.09 -0.14 4.03 2.20 -1.26 -0.87 119.74 128.20 3h72 s LYS 455 Ca -0.06 -0.08 -0.00 0.00 -0.36 0.00 0.00 55.97 55.47 3h72 s LYS 455 Cb -0.10 -3.57 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3h72 s LYS 455 CO 0.00 -0.04 -0.10 0.42 -0.36 0.00 0.00 175.35 175.28 3h72 s ILE 456 N 1.34 1.28 -1.50 5.43 1.01 0.16 -4.79 121.20 124.15 3h72 s ILE 456 Ca 0.12 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3h72 s ILE 456 Cb -0.14 -1.29 0.06 0.00 0.01 0.00 0.00 42.46 41.10 3h72 s ILE 456 CO 0.07 0.35 0.73 -0.67 0.00 0.00 0.00 174.94 175.41 3h72 n ASP 457 N 4.85 -2.51 0.00 3.58 2.03 -1.26 -0.98 116.55 122.25 3h72 n ASP 457 Ca -0.14 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.26 3h72 n ASP 457 Cb 0.49 -3.42 0.00 0.00 -0.72 0.00 0.00 41.12 37.47 3h72 n ASP 457 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h72 n GLY 458 N -1.69 0.67 3.37 0.27 0.00 -1.26 -5.03 105.19 101.52 3h72 n GLY 458 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3h72 n GLY 458 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h72 s LYS 459 N -0.03 2.61 -0.25 1.61 2.36 -0.16 -5.11 119.74 120.77 3h72 s LYS 459 Ca 0.00 -0.79 -0.13 0.00 -2.55 0.00 0.00 55.97 52.50 3h72 s LYS 459 Cb 0.00 -2.31 -0.04 0.00 -1.05 0.00 0.00 37.83 34.43 3h72 s LYS 459 CO 0.00 0.47 0.29 0.99 1.55 0.00 0.00 175.35 178.65 3h72 s THR 460 N -0.36 5.25 0.06 3.43 2.01 -1.26 0.40 115.64 125.18 3h72 s THR 460 Ca 0.03 0.41 0.09 0.00 0.31 0.00 0.00 61.69 62.53 3h72 s THR 460 Cb -0.12 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3h72 s THR 460 CO 0.02 0.24 -0.26 -0.31 -0.69 0.00 0.00 174.62 173.62 3h72 s TYR 461 N 1.64 2.24 0.29 4.92 2.02 -0.05 -4.96 117.35 123.45 3h72 s TYR 461 Ca 0.12 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.13 3h72 s TYR 461 Cb -0.15 -1.32 -0.09 0.00 -0.40 0.00 0.00 41.96 40.00 3h72 s TYR 461 CO 0.09 0.15 1.06 -1.14 -1.57 0.00 0.00 175.55 174.14 3h72 s GLN 462 N -1.36 4.60 0.31 -0.62 0.74 -1.26 -0.94 119.66 121.13 3h72 s GLN 462 Ca 0.11 1.69 -0.10 0.00 0.05 0.00 0.00 55.36 57.11 3h72 s GLN 462 Cb -0.10 -3.10 -0.07 0.00 1.10 0.00 0.00 33.01 30.85 3h72 s GLN 462 CO 0.03 0.21 0.65 0.42 -0.55 0.00 0.00 175.29 176.05 3h72 s ILE 463 N -1.25 4.85 -0.01 -2.34 1.01 -0.08 -1.30 121.20 122.08 3h72 s ILE 463 Ca 0.46 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.69 3h72 s ILE 463 Cb -0.29 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3h72 s ILE 463 CO 0.37 -0.26 -0.12 -0.76 0.00 0.00 0.00 174.94 174.16 3h72 s LEU 464 N -3.27 2.03 -0.00 2.97 1.43 -0.31 -4.19 118.68 117.34 3h72 s LEU 464 Ca 0.49 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3h72 s LEU 464 Cb -0.11 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 3h72 s LEU 464 CO 0.25 0.14 -0.08 -0.31 0.23 0.00 0.00 176.35 176.58 3h72 s TYR 465 N -0.30 2.84 -0.11 0.29 2.02 0.38 -1.20 117.35 121.28 3h72 s TYR 465 Ca 0.05 -0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 3h72 s TYR 465 Cb -0.05 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 3h72 s TYR 465 CO -0.00 0.34 -0.21 0.50 -1.57 0.00 0.00 175.55 174.61 3h72 s ARG 466 N -1.32 2.79 0.25 -0.62 3.52 -1.26 -2.28 118.95 120.02 3h72 s ARG 466 Ca 0.16 -0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 54.67 3h72 s ARG 466 Cb -0.11 -2.19 -0.13 0.00 -1.56 0.00 0.00 34.95 30.96 3h72 s ARG 466 CO 0.06 0.08 1.41 -1.91 -0.81 0.00 0.00 175.30 174.13 3h72 n GLU 467 N 3.79 2.08 0.00 5.12 2.13 -1.26 -1.69 120.64 130.82 3h72 n GLU 467 Ca -0.20 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.36 3h72 n GLU 467 Cb 0.52 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.84 3h72 n GLU 467 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h72 n GLY 468 N 2.02 1.95 3.35 8.31 0.00 -1.26 -5.03 105.19 114.52 3h72 n GLY 468 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3h72 n GLY 468 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 469 N -0.60 2.65 0.03 1.61 2.02 -0.68 -5.03 118.70 118.71 3h72 s GLU 469 Ca 0.00 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 3h72 s GLU 469 Cb 0.00 -2.29 -0.27 0.00 0.10 0.00 0.00 34.13 31.67 3h72 s GLU 469 CO 0.00 0.43 0.98 -0.22 0.02 0.00 0.00 175.26 176.47 3h72 h LYS 470 N 5.93 0.22 -7.15 1.61 3.64 -1.96 -3.41 116.57 115.46 3h72 h LYS 470 Ca -0.36 -0.38 -0.53 0.00 -1.27 0.00 0.00 60.65 58.12 3h72 h LYS 470 Cb 1.17 0.14 0.20 0.00 -0.41 0.00 0.00 32.23 33.33 3h72 h LYS 470 CO 0.49 1.11 0.11 0.41 -2.27 0.00 0.00 179.45 179.30 3h72 n GLY 471 N 1.59 -0.56 3.50 5.01 0.00 -1.26 -5.00 105.19 108.47 3h72 n GLY 471 Ca -0.12 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 3h72 n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h72 s ALA 472 N -2.41 3.39 0.69 4.61 0.00 -1.26 -4.69 121.76 122.09 3h72 s ALA 472 Ca 0.67 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 3h72 s ALA 472 Cb -0.25 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.43 3h72 s ALA 472 CO 0.57 -0.77 1.08 0.71 0.00 0.00 0.00 175.76 177.35 3h72 s TYR 473 N 1.68 3.38 0.06 0.00 1.51 -0.34 -3.81 117.35 119.83 3h72 s TYR 473 Ca 0.06 1.11 0.04 0.00 -1.01 0.00 0.00 57.07 57.27 3h72 s TYR 473 Cb -0.17 -2.99 -0.03 0.00 -0.11 0.00 0.00 41.96 38.67 3h72 s TYR 473 CO 0.08 -1.09 -0.12 0.95 -1.11 0.00 0.00 175.55 174.27 3h72 s THR 474 N -3.31 0.91 -0.38 -0.71 -4.23 -0.40 -1.16 115.64 106.36 3h72 s THR 474 Ca 0.58 -1.19 -0.14 0.00 -1.18 0.00 0.00 61.69 59.75 3h72 s THR 474 Cb -0.11 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.83 3h72 s THR 474 CO 0.52 -0.26 0.29 -0.63 -0.54 0.00 0.00 174.62 174.01 3h72 s ILE 475 N -1.26 5.25 0.00 2.99 1.01 -0.42 -0.59 121.20 128.18 3h72 s ILE 475 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3h72 s ILE 475 Cb -0.10 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3h72 s ILE 475 CO 0.02 -0.19 0.00 0.54 0.00 0.00 0.00 174.94 175.30 3h72 n ARG 476 N 5.19 3.60 -1.59 2.79 1.74 -0.24 -4.14 116.66 124.01 3h72 n ARG 476 Ca -0.11 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.50 3h72 n ARG 476 Cb 0.48 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.89 3h72 n ARG 476 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h72 n GLU 477 N 0.00 1.31 -0.97 5.56 4.71 -1.26 -0.61 120.64 129.38 3h72 n GLU 477 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.61 3h72 n GLU 477 Cb 0.00 -1.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.52 3h72 n GLU 477 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3h72 n ASN 478 N 1.70 -4.95 0.00 1.62 3.02 -1.26 -2.21 115.26 113.18 3h72 n ASN 478 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 3h72 n ASN 478 Cb 0.28 -2.84 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 3h72 n ASN 478 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h72 n GLY 479 N 0.03 0.76 3.72 7.41 0.00 0.22 -4.71 105.19 112.62 3h72 n GLY 479 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3h72 n GLY 479 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h72 s THR 480 N -2.87 2.35 -0.12 2.61 2.01 -0.94 -0.23 115.64 118.45 3h72 s THR 480 Ca 0.00 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.03 3h72 s THR 480 Cb 0.00 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 3h72 s THR 480 CO 0.00 0.02 0.69 -0.69 -0.69 0.00 0.00 174.62 173.95 3h72 s VAL 481 N 1.10 5.02 -0.02 3.82 1.01 -0.36 -1.08 120.40 129.88 3h72 s VAL 481 Ca 0.72 1.38 0.02 0.00 0.00 0.00 0.00 61.98 64.10 3h72 s VAL 481 Cb -0.46 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 3h72 s VAL 481 CO 0.32 0.18 -0.04 -0.31 0.00 0.00 0.00 175.10 175.25 3h72 s TYR 482 N 1.33 3.00 0.95 5.22 1.51 0.25 -0.96 117.35 128.64 3h72 s TYR 482 Ca 0.35 0.04 -0.12 0.00 -1.01 0.00 0.00 57.07 56.33 3h72 s TYR 482 Cb -0.17 -1.67 0.16 0.00 -0.11 0.00 0.00 41.96 40.17 3h72 s TYR 482 CO 0.15 0.41 1.09 0.95 -1.11 0.00 0.00 175.55 177.03 3h72 s THR 483 N -0.98 2.43 0.42 -0.71 -4.23 0.76 -1.27 115.64 112.06 3h72 s THR 483 Ca 0.16 0.14 0.10 0.00 -1.18 0.00 0.00 61.69 60.91 3h72 s THR 483 Cb -0.11 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.52 3h72 s THR 483 CO 0.07 -0.18 2.03 -0.65 -0.54 0.00 0.00 174.62 175.35 3h72 h PRO 484 N -1.81 0.48 -0.04 3.99 0.11 -1.91 -0.98 132.00 131.85 3h72 h PRO 484 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3h72 h PRO 484 Cb 1.29 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3h72 h PRO 484 CO 0.52 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3h72 n ASP 485 N -4.48 0.67 -0.01 -2.05 3.85 -1.26 -4.89 116.55 108.39 3h72 n ASP 485 Ca 0.05 -1.39 0.00 0.00 -0.71 0.00 0.00 54.79 52.75 3h72 n ASP 485 Cb 0.17 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3h72 n ASP 485 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3h72 n GLY 486 N 1.00 1.58 3.42 6.12 0.00 -0.37 -5.10 105.19 111.84 3h72 n GLY 486 Ca 0.18 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3h72 n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h72 s LYS 487 N -1.68 3.23 0.29 1.61 -0.14 -1.25 -4.84 119.74 116.95 3h72 s LYS 487 Ca 0.00 -0.66 -0.29 0.00 -1.36 0.00 0.00 55.97 53.66 3h72 s LYS 487 Cb 0.00 -2.62 -0.10 0.00 -1.68 0.00 0.00 37.83 33.42 3h72 s LYS 487 CO 0.00 0.32 1.40 0.00 -0.76 0.00 0.00 175.35 176.31 3h72 s ALA 488 N 0.08 3.57 0.13 5.17 0.00 -1.26 -0.17 121.76 129.28 3h72 s ALA 488 Ca -0.05 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.26 3h72 s ALA 488 Cb -0.14 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.45 3h72 s ALA 488 CO 0.04 -0.74 0.10 0.25 0.00 0.00 0.00 175.76 175.41 3h72 n THR 489 N 1.56 0.00 0.84 0.00 -2.24 -0.14 -4.89 114.28 109.42 3h72 n THR 489 Ca 0.04 -0.51 0.12 0.00 -2.27 0.00 0.00 64.05 61.42 3h72 n THR 489 Cb 0.41 -0.42 0.28 0.00 -2.10 0.00 0.00 70.33 68.50 3h72 n THR 489 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h72 n ASP 490 N -2.02 2.61 -4.85 3.42 2.03 -1.26 -4.73 116.55 111.74 3h72 n ASP 490 Ca -0.00 -1.86 -0.35 0.00 0.52 0.00 0.00 54.79 53.10 3h72 n ASP 490 Cb 0.15 -0.14 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 3h72 n ASP 490 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3h72 s TYR 491 N -1.72 3.57 -0.04 -0.67 1.51 -1.26 -1.40 117.35 117.34 3h72 s TYR 491 Ca 0.35 1.01 -0.04 0.00 -1.01 0.00 0.00 57.07 57.38 3h72 s TYR 491 Cb 0.20 -2.34 0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3h72 s TYR 491 CO 0.30 0.40 0.11 0.50 -1.11 0.00 0.00 175.55 175.74 3h72 s ARG 492 N -2.13 0.14 -0.05 -0.62 3.52 0.33 -1.23 118.95 118.90 3h72 s ARG 492 Ca 0.40 0.12 -0.02 0.00 -0.13 0.00 0.00 55.73 56.10 3h72 s ARG 492 Cb -0.14 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 3h72 s ARG 492 CO 0.19 -0.02 0.05 0.08 -0.81 0.00 0.00 175.30 174.80 3h72 s VAL 493 N -0.01 4.61 -0.75 7.11 1.01 0.67 -0.23 120.40 132.82 3h72 s VAL 493 Ca -0.01 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 3h72 s VAL 493 Cb -0.01 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3h72 s VAL 493 CO 0.00 0.49 1.33 -0.69 0.00 0.00 0.00 175.10 176.23 3h72 s VAL 494 N -1.04 3.70 -0.83 2.92 1.01 -0.10 -4.33 120.40 121.73 3h72 s VAL 494 Ca 0.18 0.33 0.22 0.00 0.00 0.00 0.00 61.98 62.70 3h72 s VAL 494 Cb -0.12 -4.86 -0.19 0.00 0.00 0.00 0.00 36.38 31.22 3h72 s VAL 494 CO 0.08 -1.79 0.94 1.33 0.00 0.00 0.00 175.10 175.66 3h72 n VAL 495 N 6.47 0.03 -3.43 2.92 0.24 -1.26 -1.98 118.33 121.32 3h72 n VAL 495 Ca 0.06 -0.10 -0.26 0.00 -2.04 0.00 0.00 64.34 62.00 3h72 n VAL 495 Cb 0.49 0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 33.44 3h72 n VAL 495 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3h72 n ASP 496 N -1.66 2.74 -4.70 -1.34 8.00 -1.26 -5.03 116.55 113.30 3h72 n ASP 496 Ca 0.03 -3.21 -0.39 0.00 0.71 0.00 0.00 54.79 51.93 3h72 n ASP 496 Cb 0.38 -0.67 0.04 0.00 -0.02 0.00 0.00 41.12 40.85 3h72 n ASP 496 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3h72 n PRO 497 N 1.18 1.43 0.00 -0.24 -0.04 -1.26 -4.97 135.00 131.11 3h72 n PRO 497 Ca 0.27 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 3h72 n PRO 497 Cb 0.43 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3h72 n PRO 497 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3h72 n VAL 498 N -1.20 0.00 -2.02 0.52 0.24 -1.26 -4.93 118.33 109.69 3h72 n VAL 498 Ca 0.11 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.34 61.85 3h72 n VAL 498 Cb 0.45 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 3h72 n VAL 498 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3h72 s LYS 499 N -0.28 3.63 0.29 7.34 1.02 -1.26 -4.93 119.74 125.55 3h72 s LYS 499 Ca 0.00 0.70 -0.30 0.00 0.02 0.00 0.00 55.97 56.40 3h72 s LYS 499 Cb 0.00 -2.12 -0.13 0.00 -0.52 0.00 0.00 37.83 35.06 3h72 s LYS 499 CO 0.00 -0.49 1.38 -2.30 -0.92 0.00 0.00 175.35 173.02 3h72 n PRO 500 N -2.57 2.14 -0.92 -1.68 -0.02 -1.26 -0.03 135.00 130.66 3h72 n PRO 500 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3h72 n PRO 500 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3h72 n PRO 500 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h72 n ALA 501 N 1.31 0.00 -3.50 3.55 0.00 -1.26 -2.99 120.51 117.62 3h72 n ALA 501 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 3h72 n ALA 501 Cb 0.34 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 19.02 3h72 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h72 n TYR 502 N -2.31 -2.12 0.17 0.00 4.02 0.95 -1.23 117.16 116.65 3h72 n TYR 502 Ca 0.00 0.69 0.05 0.00 -0.01 0.00 0.00 57.90 58.62 3h72 n TYR 502 Cb 0.21 -3.88 0.22 0.00 -0.02 0.00 0.00 39.34 35.87 3h72 n TYR 502 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h72 n SER 503 N -2.61 0.17 -0.70 7.72 3.41 -1.16 -1.69 113.62 118.76 3h72 n SER 503 Ca -0.02 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3h72 n SER 503 Cb 0.56 -0.59 0.28 0.00 -0.26 0.00 0.00 64.21 64.20 3h72 n SER 503 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h72 n ASP 504 N -1.71 2.23 -4.74 4.04 5.75 -1.26 -3.23 116.55 117.64 3h72 n ASP 504 Ca 0.01 -1.71 -0.42 0.00 -0.01 0.00 0.00 54.79 52.66 3h72 n ASP 504 Cb 0.06 0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 3h72 n ASP 504 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3h72 s LYS 505 N -2.05 4.15 0.00 0.11 2.20 -0.68 -1.76 119.74 121.71 3h72 s LYS 505 Ca 0.31 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 3h72 s LYS 505 Cb 0.20 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 3h72 s LYS 505 CO 0.34 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 3h72 n GLY 506 N 2.99 1.17 3.70 5.54 0.00 -0.84 -4.89 105.19 112.86 3h72 n GLY 506 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3h72 n GLY 506 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h72 n ASP 507 N 0.00 3.04 -4.41 1.61 8.00 -0.72 -1.14 116.55 122.93 3h72 n ASP 507 Ca 0.00 1.17 -0.36 0.00 0.71 0.00 0.00 54.79 56.31 3h72 n ASP 507 Cb 0.00 -1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 39.48 3h72 n ASP 507 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h72 s LEU 508 N -0.50 3.30 0.24 0.64 1.98 0.17 -0.92 118.68 123.59 3h72 s LEU 508 Ca 0.62 -0.25 0.10 0.00 -2.89 0.00 0.00 54.13 51.71 3h72 s LEU 508 Cb -0.58 -1.87 -0.04 0.00 0.66 0.00 0.00 46.19 44.35 3h72 s LEU 508 CO 0.54 -0.03 -0.07 -0.31 -1.89 0.00 0.00 176.35 174.60 3h72 s TYR 509 N 1.55 2.60 -0.40 5.38 1.51 0.68 -0.62 117.35 128.04 3h72 s TYR 509 Ca 0.06 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 3h72 s TYR 509 Cb -0.15 -1.19 0.12 0.00 -0.11 0.00 0.00 41.96 40.63 3h72 s TYR 509 CO 0.02 0.60 0.16 0.21 -1.11 0.00 0.00 175.55 175.43 3h72 s LYS 510 N -3.36 1.39 7.17 -0.62 2.20 -0.54 -0.51 119.74 125.47 3h72 s LYS 510 Ca 0.29 -1.93 0.00 0.00 -0.36 0.00 0.00 55.97 53.97 3h72 s LYS 510 Cb -0.07 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 3h72 s LYS 510 CO 0.17 -1.05 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 3h72 n GLY 511 N 3.91 2.22 0.72 5.54 0.00 -0.49 -2.49 105.19 114.60 3h72 n GLY 511 Ca 0.04 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3h72 n GLY 511 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h72 n ASN 512 N 9.57 3.03 -4.57 1.61 6.94 -1.26 -4.92 115.26 125.68 3h72 n ASN 512 Ca 0.00 -1.99 -0.36 0.00 -0.02 0.00 0.00 54.58 52.21 3h72 n ASN 512 Cb 0.00 -0.26 -0.11 0.00 -2.36 0.00 0.00 39.78 37.05 3h72 n ASN 512 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3h72 s GLN 513 N -1.00 3.88 -0.12 -3.83 2.00 -1.04 -5.06 119.66 114.49 3h72 s GLN 513 Ca 0.26 -0.37 -0.30 0.00 -2.00 0.00 0.00 55.36 52.96 3h72 s GLN 513 Cb 0.14 -3.43 -0.02 0.00 0.80 0.00 0.00 33.01 30.50 3h72 s GLN 513 CO 0.18 -0.03 1.27 -1.17 -0.50 0.00 0.00 175.29 175.04 3h72 s LEU 514 N 1.27 4.22 -0.15 3.68 2.96 -1.26 -1.46 118.68 127.93 3h72 s LEU 514 Ca 0.06 1.78 0.05 0.00 -0.22 0.00 0.00 54.13 55.80 3h72 s LEU 514 Cb -0.14 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 3h72 s LEU 514 CO 0.05 -0.72 -0.08 0.18 -1.32 0.00 0.00 176.35 174.47 3h72 n LEU 515 N 6.14 1.92 0.00 -0.68 4.77 0.21 -4.98 117.00 124.39 3h72 n LEU 515 Ca 0.13 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3h72 n LEU 515 Cb 0.45 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3h72 n LEU 515 CO 0.56 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.85 3h72 n GLY 516 N 2.52 1.05 3.17 -0.72 0.00 -1.07 -3.72 105.19 106.43 3h72 n GLY 516 Ca -0.27 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 3h72 n GLY 516 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h72 s ASN 517 N 2.00 -0.34 0.13 1.61 2.47 -1.26 -0.65 114.94 118.89 3h72 s ASN 517 Ca 0.00 0.64 0.15 0.00 0.42 0.00 0.00 52.86 54.07 3h72 s ASN 517 Cb 0.00 0.60 0.68 0.00 -1.45 0.00 0.00 41.25 41.07 3h72 s ASN 517 CO 0.00 -0.13 1.46 2.30 -3.72 0.00 0.00 177.10 177.01 3h72 n ILE 518 N 3.45 1.18 1.18 -5.21 -5.35 -0.29 -1.87 119.36 112.45 3h72 n ILE 518 Ca -0.18 0.38 0.12 0.00 -0.27 0.00 0.00 62.75 62.81 3h72 n ILE 518 Cb 0.56 -1.28 0.26 0.00 -1.74 0.00 0.00 39.64 37.44 3h72 n ILE 518 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3h72 n TYR 519 N -1.83 0.00 -2.89 4.28 0.53 -1.26 -1.30 117.16 114.69 3h72 n TYR 519 Ca 0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.50 3h72 n TYR 519 Cb 0.13 -0.06 -0.06 0.00 -1.03 0.00 0.00 39.34 38.31 3h72 n TYR 519 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3h72 s PHE 520 N -2.41 3.94 0.00 -0.72 2.99 -0.78 -0.80 117.98 120.21 3h72 s PHE 520 Ca 0.24 1.75 0.00 0.00 0.00 0.00 0.00 56.93 58.92 3h72 s PHE 520 Cb 0.19 -2.85 0.00 0.00 0.00 0.00 0.00 43.02 40.36 3h72 s PHE 520 CO 0.50 0.49 0.01 0.25 -0.00 0.00 0.00 175.22 176.48 3h72 n THR 521 N 1.55 0.00 -4.21 0.64 -2.24 -1.26 -4.82 114.28 103.93 3h72 n THR 521 Ca -0.04 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.10 3h72 n THR 521 Cb 0.48 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 3h72 n THR 521 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h72 s THR 522 N -0.92 1.15 -1.67 4.28 -4.23 -1.26 -4.82 115.64 108.16 3h72 s THR 522 Ca 0.00 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 58.75 3h72 s THR 522 Cb 0.00 -1.44 0.09 0.00 1.34 0.00 0.00 72.50 72.49 3h72 s THR 522 CO 0.00 -0.47 0.25 0.59 -0.54 0.00 0.00 174.62 174.45 3h72 n ASN 523 N 0.57 -0.21 -4.75 3.99 5.03 -1.26 -4.75 115.26 113.87 3h72 n ASN 523 Ca -0.16 -1.25 -0.35 0.00 0.87 0.00 0.00 54.58 53.69 3h72 n ASN 523 Cb 0.57 -1.69 0.04 0.00 -1.02 0.00 0.00 39.78 37.68 3h72 n ASN 523 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3h72 s LYS 524 N -7.29 2.88 0.00 3.52 1.02 -1.26 -4.84 119.74 113.77 3h72 s LYS 524 Ca 0.32 1.72 0.07 0.00 0.02 0.00 0.00 55.97 58.10 3h72 s LYS 524 Cb -0.19 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 35.13 3h72 s LYS 524 CO 1.00 -1.25 0.35 0.25 -0.92 0.00 0.00 175.35 174.78 3h72 n THR 525 N -1.84 0.00 -4.30 2.17 -2.24 -1.26 -5.00 114.28 101.82 3h72 n THR 525 Ca 0.13 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 3h72 n THR 525 Cb 0.50 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 3h72 n THR 525 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h72 s SER 526 N -1.61 4.24 0.00 3.42 1.04 -1.24 -4.67 113.70 114.89 3h72 s SER 526 Ca 0.03 -1.05 0.27 0.00 0.48 0.00 0.00 55.95 55.69 3h72 s SER 526 Cb 0.06 -0.51 0.92 0.00 0.10 0.00 0.00 66.02 66.59 3h72 s SER 526 CO 0.28 -0.35 1.67 -2.65 0.98 0.00 0.00 173.24 173.17 3h72 n PRO 527 N -1.05 0.70 -4.53 4.02 -0.02 -1.26 -4.95 135.00 127.90 3h72 n PRO 527 Ca -0.03 -0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 60.80 3h72 n PRO 527 Cb 0.63 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.50 3h72 n PRO 527 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3h72 s PHE 528 N -2.54 2.49 0.01 6.00 0.08 -1.26 -4.06 117.98 118.70 3h72 s PHE 528 Ca 0.25 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.90 3h72 s PHE 528 Cb 0.19 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 41.27 3h72 s PHE 528 CO 0.52 0.29 0.21 -0.98 -0.10 0.00 0.00 175.22 175.16 3h72 s ARG 529 N -1.73 0.63 0.90 0.44 1.70 -0.97 -4.20 118.95 115.72 3h72 s ARG 529 Ca 0.15 -0.44 -0.14 0.00 -0.47 0.00 0.00 55.73 54.84 3h72 s ARG 529 Cb -0.10 0.27 0.16 0.00 -0.57 0.00 0.00 34.95 34.70 3h72 s ARG 529 CO 0.07 -0.17 1.26 0.96 -1.08 0.00 0.00 175.30 176.33 3h72 s ILE 530 N -1.87 2.02 0.46 4.99 -4.36 -0.42 -0.47 121.20 121.55 3h72 s ILE 530 Ca -0.10 -0.04 -0.24 0.00 -0.26 0.00 0.00 60.65 60.01 3h72 s ILE 530 Cb -0.04 -2.98 -0.07 0.00 1.25 0.00 0.00 42.46 40.62 3h72 s ILE 530 CO 0.00 0.00 1.24 0.00 0.24 0.00 0.00 174.94 176.42 3h72 s ALA 531 N -3.75 3.03 -0.61 2.27 0.00 -1.26 -4.78 121.76 116.65 3h72 s ALA 531 Ca 0.70 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 53.49 3h72 s ALA 531 Cb -0.06 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.64 3h72 s ALA 531 CO 0.51 -0.84 1.17 0.15 0.00 0.00 0.00 175.76 176.75 3h72 s LYS 532 N -2.58 3.41 0.27 0.00 1.02 -1.26 -4.88 119.74 115.71 3h72 s LYS 532 Ca 0.63 0.04 -0.12 0.00 0.02 0.00 0.00 55.97 56.54 3h72 s LYS 532 Cb -0.34 -4.06 0.05 0.00 -0.52 0.00 0.00 37.83 32.96 3h72 s LYS 532 CO 0.42 -1.76 0.61 -3.47 -0.92 0.00 0.00 175.35 170.23 3h72 n ASP 533 N 8.48 -1.63 -4.73 2.83 2.03 -1.26 -4.56 116.55 117.71 3h72 n ASP 533 Ca 0.06 -2.09 -0.35 0.00 0.52 0.00 0.00 54.79 52.93 3h72 n ASP 533 Cb 0.49 2.70 -0.08 0.00 -0.72 0.00 0.00 41.12 43.51 3h72 n ASP 533 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3h72 s SER 534 N -2.56 6.17 0.30 1.67 0.15 -1.26 -4.44 113.70 113.73 3h72 s SER 534 Ca 0.12 0.23 0.08 0.00 0.70 0.00 0.00 55.95 57.08 3h72 s SER 534 Cb -0.03 -2.08 -0.06 0.00 -1.71 0.00 0.00 66.02 62.14 3h72 s SER 534 CO 0.08 0.19 -0.07 -0.31 1.20 0.00 0.00 173.24 174.33 3h72 s TYR 535 N 0.27 2.10 -0.11 3.44 2.02 -0.11 -4.74 117.35 120.22 3h72 s TYR 535 Ca 0.08 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 3h72 s TYR 535 Cb -0.11 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3h72 s TYR 535 CO -0.01 0.39 -0.10 -1.17 -1.57 0.00 0.00 175.55 173.08 3h72 s LEU 536 N -3.49 1.40 0.29 -1.29 2.96 -1.26 -1.19 118.68 116.09 3h72 s LEU 536 Ca 0.30 -0.34 0.10 0.00 -0.22 0.00 0.00 54.13 53.97 3h72 s LEU 536 Cb 0.03 -0.90 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 3h72 s LEU 536 CO 0.13 -0.06 -0.01 0.26 -1.32 0.00 0.00 176.35 175.34 3h72 s TRP 537 N 1.38 2.62 -0.05 5.38 0.52 0.30 -1.46 118.94 127.64 3h72 s TRP 537 Ca -0.00 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 55.80 3h72 s TRP 537 Cb -0.13 -1.25 0.02 0.00 -1.15 0.00 0.00 33.47 30.95 3h72 s TRP 537 CO -0.05 0.59 0.13 1.41 0.02 0.00 0.00 176.95 179.04 3h72 s MET 538 N -3.68 0.13 0.04 4.98 -2.45 0.13 -1.37 119.30 117.08 3h72 s MET 538 Ca 0.32 0.21 0.04 0.00 -1.25 0.00 0.00 55.69 55.01 3h72 s MET 538 Cb -0.05 0.01 -0.02 0.00 1.25 0.00 0.00 34.83 36.03 3h72 s MET 538 CO 0.19 -0.05 -0.12 -1.12 1.05 0.00 0.00 175.02 174.98 3h72 s SER 539 N 0.31 1.35 0.11 1.11 0.01 -0.26 -0.24 113.70 116.08 3h72 s SER 539 Ca -0.02 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.83 3h72 s SER 539 Cb -0.03 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 3h72 s SER 539 CO -0.01 -0.02 -0.10 -0.72 0.41 0.00 0.00 173.24 172.80 3h72 s TYR 540 N -0.90 1.09 -0.05 2.43 -0.85 -1.26 -0.71 117.35 117.10 3h72 s TYR 540 Ca -0.01 -0.69 0.04 0.00 -0.52 0.00 0.00 57.07 55.89 3h72 s TYR 540 Cb -0.08 -0.59 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 3h72 s TYR 540 CO 0.01 0.01 -0.17 0.45 -1.52 0.00 0.00 175.55 174.33 3h72 s SER 541 N -2.60 2.16 0.00 -0.18 0.15 0.38 -0.72 113.70 112.88 3h72 s SER 541 Ca 0.08 -0.36 0.13 0.00 0.70 0.00 0.00 55.95 56.50 3h72 s SER 541 Cb -0.01 -0.66 0.24 0.00 -1.71 0.00 0.00 66.02 63.88 3h72 s SER 541 CO -0.00 0.14 1.12 0.47 1.20 0.00 0.00 173.24 176.17 3h72 n ASP 542 N 3.23 2.63 -2.41 5.45 8.00 -1.26 -1.14 116.55 131.05 3h72 n ASP 542 Ca -0.19 -1.79 -0.18 0.00 0.71 0.00 0.00 54.79 53.35 3h72 n ASP 542 Cb 0.53 -0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.51 3h72 n ASP 542 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h72 n ASP 543 N 0.74 3.72 -2.12 -2.24 5.68 -1.26 -4.96 116.55 116.10 3h72 n ASP 543 Ca 0.11 -3.27 -0.18 0.00 -0.50 0.00 0.00 54.79 50.95 3h72 n ASP 543 Cb 0.40 -0.43 -0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3h72 n ASP 543 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3h72 n ASP 544 N -0.52 -5.26 0.00 -1.12 2.03 -1.26 -2.86 116.55 107.56 3h72 n ASP 544 Ca 0.30 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.57 3h72 n ASP 544 Cb 0.82 -4.30 0.00 0.00 -0.72 0.00 0.00 41.12 36.92 3h72 n ASP 544 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h72 n GLY 545 N -1.07 0.85 0.18 0.27 0.00 -1.26 -4.95 105.19 99.20 3h72 n GLY 545 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3h72 n GLY 545 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h72 h LYS 546 N 3.88 0.56 -5.04 1.61 1.57 -1.94 -3.45 116.57 113.76 3h72 h LYS 546 Ca 0.00 -0.27 -0.34 0.00 -1.87 0.00 0.00 60.65 58.17 3h72 h LYS 546 Cb 0.00 -0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.11 3h72 h LYS 546 CO 0.00 0.85 -0.75 0.95 -0.57 0.00 0.00 179.45 179.93 3h72 s THR 547 N -4.47 0.95 0.14 -0.16 -4.23 -1.26 -5.00 115.64 101.61 3h72 s THR 547 Ca -0.13 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 3h72 s THR 547 Cb 0.08 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 3h72 s THR 547 CO 0.79 -0.43 -0.14 0.26 -0.54 0.00 0.00 174.62 174.55 3h72 s TRP 548 N -1.95 1.50 0.84 3.99 0.52 -1.26 -4.30 118.94 118.29 3h72 s TRP 548 Ca 0.01 -0.56 -0.12 0.00 0.02 0.00 0.00 56.10 55.45 3h72 s TRP 548 Cb -0.06 -0.76 0.10 0.00 -1.15 0.00 0.00 33.47 31.59 3h72 s TRP 548 CO 0.01 0.20 1.12 -1.54 0.02 0.00 0.00 176.95 176.76 3h72 s SER 549 N -2.66 4.13 0.58 2.95 1.04 0.10 -4.95 113.70 114.89 3h72 s SER 549 Ca 0.12 1.10 -0.17 0.00 0.48 0.00 0.00 55.95 57.48 3h72 s SER 549 Cb -0.04 -1.74 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 3h72 s SER 549 CO 0.04 -2.17 1.08 0.00 0.98 0.00 0.00 173.24 173.17 3h72 s ALA 550 N -3.26 2.68 0.36 5.32 0.00 -1.26 -4.57 121.76 121.03 3h72 s ALA 550 Ca 0.62 0.55 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 3h72 s ALA 550 Cb -0.14 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 3h72 s ALA 550 CO 0.53 -0.84 1.51 -2.14 0.00 0.00 0.00 175.76 174.82 3h72 s PRO 551 N -3.79 4.11 -0.14 0.00 0.02 -1.26 -4.77 135.00 129.17 3h72 s PRO 551 Ca 0.67 2.58 -0.01 0.00 0.02 0.00 0.00 61.00 64.27 3h72 s PRO 551 Cb -0.19 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3h72 s PRO 551 CO 0.33 -0.56 -0.12 -1.14 -0.33 0.00 0.00 177.00 175.18 3h72 s GLN 552 N -1.79 3.41 -0.59 5.54 0.74 0.67 -4.93 119.66 122.72 3h72 s GLN 552 Ca 0.55 -0.67 -0.26 0.00 0.05 0.00 0.00 55.36 55.03 3h72 s GLN 552 Cb -0.47 -2.68 0.04 0.00 1.10 0.00 0.00 33.01 31.00 3h72 s GLN 552 CO 0.60 0.19 1.10 0.34 -0.55 0.00 0.00 175.29 176.97 3h72 s ASP 553 N 0.43 6.37 0.00 6.67 2.15 -1.26 -0.69 116.67 130.33 3h72 s ASP 553 Ca -0.09 -0.16 0.25 0.00 0.43 0.00 0.00 52.55 52.98 3h72 s ASP 553 Cb -0.16 -2.51 0.50 0.00 -0.30 0.00 0.00 42.92 40.46 3h72 s ASP 553 CO 0.05 -1.42 1.43 2.30 -0.17 0.00 0.00 175.17 177.36 3h72 n ILE 554 N 6.44 0.08 -0.22 4.11 -5.35 -0.54 -4.56 119.36 119.32 3h72 n ILE 554 Ca 0.05 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3h72 n ILE 554 Cb 0.48 1.08 0.08 0.00 -1.74 0.00 0.00 39.64 39.54 3h72 n ILE 554 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3h72 h THR 555 N 3.85 0.38 0.00 7.28 2.02 -1.85 -1.44 112.91 123.16 3h72 h THR 555 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3h72 h THR 555 Cb 0.82 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3h72 h THR 555 CO 0.00 0.01 0.00 1.55 0.37 0.00 0.00 175.52 177.45 3h72 h PRO 556 N 0.03 0.00 0.00 6.66 0.13 -1.89 0.94 132.00 137.87 3h72 h PRO 556 Ca 0.32 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.39 3h72 h PRO 556 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 3h72 h PRO 556 CO -0.63 0.00 -0.47 0.52 -0.23 0.00 0.00 178.00 177.18 3h72 h MET 557 N 0.00 0.00 0.00 0.86 2.86 -1.57 -3.40 114.93 113.67 3h72 h MET 557 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h72 h MET 557 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3h72 h MET 557 CO 0.00 0.23 -0.07 1.33 1.06 0.00 0.00 176.91 179.46 3h72 n VAL 558 N -3.07 0.00 -3.36 -2.22 0.24 -0.81 -4.46 118.33 104.65 3h72 n VAL 558 Ca 0.01 -0.23 -0.40 0.00 -2.04 0.00 0.00 64.34 61.68 3h72 n VAL 558 Cb 0.65 0.90 -0.09 0.00 -1.47 0.00 0.00 33.84 33.83 3h72 n VAL 558 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h72 s LYS 559 N -0.60 3.79 0.73 7.34 2.20 0.26 -4.65 119.74 128.81 3h72 s LYS 559 Ca 0.00 -0.14 -0.11 0.00 -0.36 0.00 0.00 55.97 55.36 3h72 s LYS 559 Cb 0.00 -3.73 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3h72 s LYS 559 CO 0.00 -0.43 1.08 0.00 -0.36 0.00 0.00 175.35 175.64 3h72 s ALA 560 N 2.13 2.42 0.46 3.13 0.00 -1.26 -4.87 121.76 123.77 3h72 s ALA 560 Ca 0.15 0.27 0.22 0.00 0.00 0.00 0.00 51.96 52.60 3h72 s ALA 560 Cb -0.16 -3.25 1.33 0.00 0.00 0.00 0.00 23.12 21.04 3h72 s ALA 560 CO 0.11 -1.51 2.07 -0.44 0.00 0.00 0.00 175.76 176.00 3h72 h ASP 561 N -0.77 0.00 1.80 0.00 3.32 -2.01 -2.65 116.42 116.10 3h72 h ASP 561 Ca -0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3h72 h ASP 561 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 3h72 h ASP 561 CO 0.53 0.12 -0.20 4.11 -1.72 0.00 0.00 179.24 182.08 3h72 h TRP 562 N 0.00 0.00 -3.23 4.55 5.08 -1.99 -3.46 115.95 116.89 3h72 h TRP 562 Ca -0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 3h72 h TRP 562 Cb 0.27 0.00 0.06 0.00 -3.00 0.00 0.00 29.16 26.49 3h72 h TRP 562 CO 0.00 0.05 0.83 -1.64 -1.28 0.00 0.00 178.44 176.40 3h72 s MET 563 N -3.21 4.21 0.00 0.12 -1.94 -1.00 -4.29 119.30 113.19 3h72 s MET 563 Ca 0.06 2.41 0.00 0.00 -1.71 0.00 0.00 55.69 56.45 3h72 s MET 563 Cb 0.06 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.81 3h72 s MET 563 CO 0.70 -0.54 0.00 1.17 -0.01 0.00 0.00 175.02 176.34 3h72 n LYS 564 N 2.66 0.00 -3.37 2.03 4.81 -0.38 -4.95 118.16 118.97 3h72 n LYS 564 Ca 0.09 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.18 3h72 n LYS 564 Cb 0.39 -0.14 -0.06 0.00 0.02 0.00 0.00 35.03 35.24 3h72 n LYS 564 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3h72 s PHE 565 N 0.00 3.58 -0.20 5.64 5.36 -1.23 -4.36 117.98 126.77 3h72 s PHE 565 Ca 0.00 1.03 -0.04 0.00 -0.96 0.00 0.00 56.93 56.96 3h72 s PHE 565 Cb 0.00 -2.35 0.10 0.00 -0.34 0.00 0.00 43.02 40.43 3h72 s PHE 565 CO 0.00 0.40 0.32 -1.17 -1.46 0.00 0.00 175.22 173.31 3h72 s LEU 566 N -2.10 -0.42 0.23 6.12 2.96 -1.26 -2.01 118.68 122.21 3h72 s LEU 566 Ca 0.39 0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 54.52 3h72 s LEU 566 Cb -0.14 0.86 -0.02 0.00 0.50 0.00 0.00 46.19 47.39 3h72 s LEU 566 CO 0.19 -0.28 0.36 -0.83 -1.32 0.00 0.00 176.35 174.47 3h72 s GLY 567 N 2.47 0.81 0.60 7.98 0.00 -0.77 -4.58 107.32 113.83 3h72 s GLY 567 Ca 0.06 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 43.55 3h72 s GLY 567 CO -0.13 -0.88 1.00 -1.34 0.00 0.00 0.00 173.10 171.76 3h72 s VAL 568 N -4.06 4.73 -0.62 1.40 -7.23 -1.26 -0.74 120.40 112.62 3h72 s VAL 568 Ca 0.27 0.80 -0.16 0.00 -1.81 0.00 0.00 61.98 61.08 3h72 s VAL 568 Cb 0.02 -3.87 0.15 0.00 0.56 0.00 0.00 36.38 33.24 3h72 s VAL 568 CO 0.10 -1.11 0.61 -0.83 -0.31 0.00 0.00 175.10 173.55 3h72 s GLY 569 N -4.17 2.16 0.47 2.32 0.00 0.24 -4.73 107.32 103.62 3h72 s GLY 569 Ca 0.54 -2.67 -0.22 0.00 0.00 0.00 0.00 44.72 42.37 3h72 s GLY 569 CO 0.53 1.30 0.82 -1.55 0.00 0.00 0.00 173.10 174.20 3h72 n PRO 570 N 5.19 0.96 0.00 2.90 -0.04 -1.26 -4.64 135.00 138.11 3h72 n PRO 570 Ca -0.06 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3h72 n PRO 570 Cb 0.42 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 3h72 n PRO 570 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h72 n GLY 571 N 1.44 0.44 3.07 0.55 0.00 -0.76 -4.92 105.19 105.00 3h72 n GLY 571 Ca 0.11 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 3h72 n GLY 571 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h72 s THR 572 N -3.63 1.69 0.54 2.61 2.01 -1.26 -1.55 115.64 116.04 3h72 s THR 572 Ca 0.00 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 3h72 s THR 572 Cb 0.00 -1.55 0.13 0.00 0.01 0.00 0.00 72.50 71.09 3h72 s THR 572 CO 0.00 0.48 0.66 0.61 -0.69 0.00 0.00 174.62 175.68 3h72 n GLY 573 N 4.45 -1.64 3.26 4.40 0.00 0.37 -4.80 105.19 111.24 3h72 n GLY 573 Ca -0.19 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 3h72 n GLY 573 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h72 s ILE 574 N -2.39 0.24 -0.11 -0.61 -4.36 -1.03 -4.78 121.20 108.16 3h72 s ILE 574 Ca 0.39 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 3h72 s ILE 574 Cb -0.02 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.16 3h72 s ILE 574 CO 0.28 0.00 -0.16 -0.69 0.24 0.00 0.00 174.94 174.61 3h72 s VAL 575 N -3.91 1.51 0.24 8.37 1.01 -1.26 -0.67 120.40 125.68 3h72 s VAL 575 Ca 0.38 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 3h72 s VAL 575 Cb 0.07 -1.37 -0.12 0.00 0.00 0.00 0.00 36.38 34.95 3h72 s VAL 575 CO 0.14 0.44 1.65 0.18 0.00 0.00 0.00 175.10 177.52 3h72 n LEU 576 N 4.14 4.02 0.05 3.92 4.77 0.26 -4.85 117.00 129.30 3h72 n LEU 576 Ca -0.19 1.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.94 3h72 n LEU 576 Cb 0.51 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.98 3h72 n LEU 576 CO 0.24 0.10 -0.22 0.54 -1.33 0.00 0.00 177.39 176.72 3h72 n ARG 577 N 3.19 0.62 -4.15 3.23 1.74 -1.26 -1.18 116.66 118.85 3h72 n ARG 577 Ca 0.13 0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 57.20 3h72 n ARG 577 Cb 0.35 -1.79 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 3h72 n ARG 577 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h72 s ASN 578 N -5.50 1.10 0.00 0.55 2.20 -1.26 -4.88 114.94 107.15 3h72 s ASN 578 Ca -0.03 -1.56 0.00 0.00 -0.94 0.00 0.00 52.86 50.34 3h72 s ASN 578 Cb 0.09 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.96 3h72 s ASN 578 CO 0.81 -1.20 0.00 0.61 -2.94 0.00 0.00 177.10 174.38 3h72 n GLY 579 N -0.57 -0.97 0.10 0.45 0.00 -1.26 -3.66 105.19 99.28 3h72 n GLY 579 Ca 0.03 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.48 3h72 n GLY 579 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h72 n PRO 580 N -0.97 0.11 -0.51 1.61 -0.04 -1.26 -2.13 135.00 131.81 3h72 n PRO 580 Ca 0.00 0.48 0.06 0.00 -0.04 0.00 0.00 63.50 64.00 3h72 n PRO 580 Cb 0.00 -1.77 0.25 0.00 -0.04 0.00 0.00 33.50 31.94 3h72 n PRO 580 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3h72 n HIS 581 N -1.99 1.00 -1.68 0.54 8.25 -1.26 -5.02 115.22 115.05 3h72 n HIS 581 Ca 0.01 -1.01 -0.44 0.00 -0.26 0.00 0.00 57.72 56.02 3h72 n HIS 581 Cb 0.11 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 30.84 3h72 n HIS 581 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3h72 n LYS 582 N -0.62 2.14 0.00 -0.41 4.81 -0.90 -1.53 118.16 121.64 3h72 n LYS 582 Ca 0.24 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 3h72 n LYS 582 Cb 0.93 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.54 3h72 n LYS 582 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h72 n GLY 583 N 2.22 2.05 3.75 3.14 0.00 -0.32 -4.98 105.19 111.05 3h72 n GLY 583 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3h72 n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h72 s ARG 584 N -0.96 4.36 -0.17 1.61 3.52 -0.58 -4.71 118.95 122.02 3h72 s ARG 584 Ca 0.00 2.15 -0.14 0.00 -0.13 0.00 0.00 55.73 57.60 3h72 s ARG 584 Cb 0.00 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 3h72 s ARG 584 CO 0.00 -0.27 0.32 0.42 -0.81 0.00 0.00 175.30 174.96 3h72 s ILE 585 N -0.18 5.28 -0.12 4.11 1.01 -0.54 -0.57 121.20 130.18 3h72 s ILE 585 Ca 0.56 0.59 0.01 0.00 0.00 0.00 0.00 60.65 61.81 3h72 s ILE 585 Cb -0.38 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 3h72 s ILE 585 CO 0.42 0.36 -0.15 -0.76 0.00 0.00 0.00 174.94 174.82 3h72 s LEU 586 N 0.66 2.64 -0.16 2.97 1.43 0.15 -2.04 118.68 124.33 3h72 s LEU 586 Ca 0.17 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3h72 s LEU 586 Cb -0.13 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.54 3h72 s LEU 586 CO 0.05 0.18 -0.11 -0.63 0.23 0.00 0.00 176.35 176.07 3h72 s ILE 587 N 0.25 1.47 0.29 -0.59 -1.09 -0.49 -2.46 121.20 118.59 3h72 s ILE 587 Ca -0.10 -0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 57.33 3h72 s ILE 587 Cb -0.16 -1.47 -0.10 0.00 -1.58 0.00 0.00 42.46 39.15 3h72 s ILE 587 CO 0.06 0.33 1.28 -2.84 -1.23 0.00 0.00 174.94 172.54 3h72 s PRO 588 N 1.50 4.40 0.23 2.79 0.02 -1.26 -1.30 135.00 141.39 3h72 s PRO 588 Ca 0.03 2.12 -0.08 0.00 0.02 0.00 0.00 61.00 63.09 3h72 s PRO 588 Cb -0.14 -3.12 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3h72 s PRO 588 CO -0.09 -0.15 0.35 0.14 -0.33 0.00 0.00 177.00 176.91 3h72 s VAL 589 N -0.80 0.00 0.06 3.83 -7.23 -0.28 -0.59 120.40 115.39 3h72 s VAL 589 Ca 0.51 -1.62 -0.13 0.00 -1.81 0.00 0.00 61.98 58.92 3h72 s VAL 589 Cb -0.38 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.27 3h72 s VAL 589 CO 0.47 -0.00 0.30 -0.72 -0.31 0.00 0.00 175.10 174.84 3h72 s TYR 590 N -4.07 -0.08 0.28 2.82 -0.85 0.08 -1.41 117.35 114.12 3h72 s TYR 590 Ca 0.28 -0.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.76 3h72 s TYR 590 Cb 0.02 0.09 -0.06 0.00 0.38 0.00 0.00 41.96 42.40 3h72 s TYR 590 CO 0.10 -0.52 0.06 0.95 -1.52 0.00 0.00 175.55 174.61 3h72 s THR 591 N -2.80 0.92 0.11 -3.49 -4.23 -0.59 -1.85 115.64 103.71 3h72 s THR 591 Ca -0.03 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 3h72 s THR 591 Cb 0.00 -2.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3h72 s THR 591 CO -0.05 -0.08 -0.09 0.42 -0.54 0.00 0.00 174.62 174.28 3h72 s THR 592 N -3.50 0.94 0.53 3.99 -4.23 -0.85 -1.08 115.64 111.44 3h72 s THR 592 Ca 0.35 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 3h72 s THR 592 Cb 0.08 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.30 3h72 s THR 592 CO 0.13 -0.73 0.25 0.54 -0.54 0.00 0.00 174.62 174.27 3h72 s ASN 593 N -2.90 4.44 0.00 3.99 2.20 -1.26 -1.24 114.94 120.17 3h72 s ASN 593 Ca 0.11 -1.41 0.28 0.00 -0.94 0.00 0.00 52.86 50.91 3h72 s ASN 593 Cb 0.02 0.47 1.09 0.00 -2.00 0.00 0.00 41.25 40.82 3h72 s ASN 593 CO -0.01 -1.01 1.78 0.59 -2.94 0.00 0.00 177.10 175.51 3h72 n ASN 594 N -1.58 0.42 0.04 3.54 3.02 -1.26 -1.60 115.26 117.84 3h72 n ASN 594 Ca -0.08 -0.35 -0.19 0.00 -0.03 0.00 0.00 54.58 53.92 3h72 n ASN 594 Cb 0.65 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 39.60 3h72 n ASN 594 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3h72 h VAL 595 N 0.41 1.54 0.00 2.41 2.07 -1.89 -3.42 116.25 117.37 3h72 h VAL 595 Ca 0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3h72 h VAL 595 Cb 0.41 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3h72 h VAL 595 CO 0.00 0.71 0.00 -1.54 0.02 0.00 0.00 177.57 176.76 3h72 n SER 596 N -4.17 0.21 0.00 0.57 3.41 -1.25 -5.04 113.62 107.34 3h72 n SER 596 Ca -0.13 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3h72 n SER 596 Cb 0.79 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3h72 n SER 596 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3h72 n HIS 597 N -0.00 0.00 1.15 7.33 -0.00 -0.63 -0.79 115.22 122.27 3h72 n HIS 597 Ca 0.00 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.32 3h72 n HIS 597 Cb 0.19 0.00 0.65 0.00 -0.12 0.00 0.00 29.99 30.72 3h72 n HIS 597 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3h72 n LEU 598 N 0.00 0.00 0.04 0.27 4.77 -1.26 -2.37 117.00 118.45 3h72 n LEU 598 Ca 0.00 0.39 -0.07 0.00 -0.03 0.00 0.00 56.01 56.30 3h72 n LEU 598 Cb 0.00 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 3h72 n LEU 598 CO 0.00 -0.02 -0.01 0.78 -1.33 0.00 0.00 177.39 176.81 3h72 h ASN 599 N 0.00 0.00 0.00 -1.43 2.35 -1.40 -3.44 115.58 111.67 3h72 h ASN 599 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3h72 h ASN 599 Cb 0.37 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.65 3h72 h ASN 599 CO 0.00 0.98 -0.20 0.61 -1.65 0.00 0.00 177.43 177.17 3h72 n GLY 600 N 1.39 0.46 0.00 2.83 0.00 -1.15 -4.11 105.19 104.60 3h72 n GLY 600 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3h72 n GLY 600 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h72 n SER 601 N 0.00 0.37 -4.68 1.61 3.41 -1.00 -1.13 113.62 112.21 3h72 n SER 601 Ca -0.19 -0.97 -0.47 0.00 -0.26 0.00 0.00 58.87 56.97 3h72 n SER 601 Cb 0.60 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 3h72 n SER 601 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h72 n GLN 602 N -0.01 2.25 -3.98 4.33 6.02 -1.25 -4.41 117.38 120.34 3h72 n GLN 602 Ca 0.00 0.82 -0.20 0.00 -0.01 0.00 0.00 57.00 57.62 3h72 n GLN 602 Cb 0.15 -2.66 -0.17 0.00 1.02 0.00 0.00 30.24 28.59 3h72 n GLN 602 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3h72 s SER 603 N 3.19 0.92 0.54 1.08 0.01 -0.25 -1.43 113.70 117.76 3h72 s SER 603 Ca 0.88 -0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.90 3h72 s SER 603 Cb -0.66 -0.36 -0.07 0.00 0.21 0.00 0.00 66.02 65.14 3h72 s SER 603 CO 0.47 -0.11 1.01 -0.44 0.41 0.00 0.00 173.24 174.58 3h72 s SER 604 N 1.22 6.35 0.02 2.44 0.01 -0.24 -1.54 113.70 121.96 3h72 s SER 604 Ca -0.07 1.65 -0.18 0.00 1.31 0.00 0.00 55.95 58.66 3h72 s SER 604 Cb -0.14 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.64 3h72 s SER 604 CO -0.02 -0.77 0.85 -2.11 0.41 0.00 0.00 173.24 171.59 3h72 n ARG 605 N -1.73 0.20 -4.27 12.44 1.85 -0.50 -2.19 116.66 122.46 3h72 n ARG 605 Ca 0.07 -0.65 -0.15 0.00 -1.00 0.00 0.00 57.85 56.12 3h72 n ARG 605 Cb 0.54 1.01 -0.10 0.00 -1.05 0.00 0.00 32.46 32.85 3h72 n ARG 605 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3h72 s ILE 606 N -2.10 1.06 0.20 8.89 -5.25 -1.26 -1.13 121.20 121.61 3h72 s ILE 606 Ca 0.20 -2.04 0.11 0.00 -0.99 0.00 0.00 60.65 57.93 3h72 s ILE 606 Cb -0.01 -2.02 -0.04 0.00 2.95 0.00 0.00 42.46 43.33 3h72 s ILE 606 CO 0.01 -0.59 -0.20 0.27 -1.79 0.00 0.00 174.94 172.63 3h72 s ILE 607 N -3.40 2.54 0.16 8.37 -4.36 -0.42 -0.98 121.20 123.11 3h72 s ILE 607 Ca 0.21 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.52 3h72 s ILE 607 Cb 0.04 -2.24 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 3h72 s ILE 607 CO 0.03 -0.15 0.24 -0.72 0.24 0.00 0.00 174.94 174.58 3h72 s TYR 608 N -1.78 0.49 -0.03 1.37 -0.85 0.56 -1.39 117.35 115.72 3h72 s TYR 608 Ca 0.23 -0.86 -0.00 0.00 -0.52 0.00 0.00 57.07 55.92 3h72 s TYR 608 Cb -0.08 -0.14 0.03 0.00 0.38 0.00 0.00 41.96 42.15 3h72 s TYR 608 CO 0.12 -0.68 0.01 0.45 -1.52 0.00 0.00 175.55 173.93 3h72 s SER 609 N -2.98 0.56 0.00 -0.18 0.15 -0.86 -0.71 113.70 109.68 3h72 s SER 609 Ca 0.18 -0.01 0.19 0.00 0.70 0.00 0.00 55.95 57.02 3h72 s SER 609 Cb 0.04 -0.21 0.21 0.00 -1.71 0.00 0.00 66.02 64.35 3h72 s SER 609 CO 0.00 -0.13 1.16 0.47 1.20 0.00 0.00 173.24 175.95 3h72 n ASP 610 N 4.37 2.76 -2.12 5.45 8.00 -1.26 -1.47 116.55 132.28 3h72 n ASP 610 Ca -0.22 -1.84 -0.23 0.00 0.71 0.00 0.00 54.79 53.21 3h72 n ASP 610 Cb 0.50 -0.05 0.02 0.00 -0.02 0.00 0.00 41.12 41.57 3h72 n ASP 610 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h72 n ASP 611 N 1.13 4.66 -3.35 -2.24 5.68 -1.26 -4.92 116.55 116.23 3h72 n ASP 611 Ca 0.13 -3.62 -0.24 0.00 -0.50 0.00 0.00 54.79 50.56 3h72 n ASP 611 Cb 0.50 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 40.17 3h72 n ASP 611 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3h72 n HIS 612 N -0.68 -2.37 -0.20 2.11 8.25 -1.26 -2.81 115.22 118.27 3h72 n HIS 612 Ca 0.41 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.62 3h72 n HIS 612 Cb 0.93 -4.59 0.00 0.00 1.12 0.00 0.00 29.99 27.45 3h72 n HIS 612 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h72 n GLY 613 N -1.72 0.97 0.18 -1.41 0.00 -1.26 -4.96 105.19 96.99 3h72 n GLY 613 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 3h72 n GLY 613 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h72 h LYS 614 N 3.67 -0.34 -6.18 1.61 1.57 -1.94 -3.45 116.57 111.51 3h72 h LYS 614 Ca 0.00 0.02 -0.56 0.00 -1.87 0.00 0.00 60.65 58.24 3h72 h LYS 614 Cb 0.00 0.08 -0.20 0.00 0.08 0.00 0.00 32.23 32.19 3h72 h LYS 614 CO 0.00 -0.09 -0.81 0.95 -0.57 0.00 0.00 179.45 178.93 3h72 s THR 615 N -5.23 1.85 0.17 -0.16 -4.23 -1.26 -5.12 115.64 101.66 3h72 s THR 615 Ca -0.15 -1.74 0.09 0.00 -1.18 0.00 0.00 61.69 58.71 3h72 s THR 615 Cb 0.03 -1.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 3h72 s THR 615 CO 0.60 -0.15 -0.20 0.26 -0.54 0.00 0.00 174.62 174.60 3h72 s TRP 616 N -1.53 1.93 0.00 3.99 0.52 -1.26 -4.40 118.94 118.19 3h72 s TRP 616 Ca 0.12 -0.44 -0.02 0.00 0.02 0.00 0.00 56.10 55.78 3h72 s TRP 616 Cb -0.08 -0.97 -0.01 0.00 -1.15 0.00 0.00 33.47 31.26 3h72 s TRP 616 CO 0.06 0.36 0.04 -1.01 0.02 0.00 0.00 176.95 176.41 3h72 s HIS 617 N -1.87 0.11 -0.00 -1.98 3.76 0.12 -4.57 115.29 110.85 3h72 s HIS 617 Ca 0.16 -0.22 -0.20 0.00 -0.15 0.00 0.00 55.06 54.65 3h72 s HIS 617 Cb -0.07 -0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.48 3h72 s HIS 617 CO 0.07 -0.16 0.59 0.00 -0.85 0.00 0.00 174.74 174.39 3h72 s ALA 618 N -0.97 3.49 0.84 -1.40 0.00 -1.26 -0.32 121.76 122.14 3h72 s ALA 618 Ca -0.11 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 3h72 s ALA 618 Cb -0.06 -2.73 0.14 0.00 0.00 0.00 0.00 23.12 20.47 3h72 s ALA 618 CO -0.00 0.18 0.88 0.41 0.00 0.00 0.00 175.76 177.23 3h72 n GLY 619 N 2.42 -0.45 3.92 0.00 0.00 -0.15 -4.95 105.19 105.98 3h72 n GLY 619 Ca -0.07 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 3h72 n GLY 619 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 620 N -4.83 3.52 0.45 1.61 2.02 0.14 -4.76 118.70 116.85 3h72 s GLU 620 Ca 0.53 -0.01 -0.21 0.00 0.02 0.00 0.00 54.97 55.31 3h72 s GLU 620 Cb -0.02 -2.49 -0.10 0.00 0.10 0.00 0.00 34.13 31.62 3h72 s GLU 620 CO 0.36 -0.07 0.98 0.00 0.02 0.00 0.00 175.26 176.55 3h72 s ALA 621 N -2.58 3.00 0.28 5.21 0.00 -1.26 -4.57 121.76 121.84 3h72 s ALA 621 Ca 0.44 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3h72 s ALA 621 Cb -0.10 -3.18 0.41 0.00 0.00 0.00 0.00 23.12 20.26 3h72 s ALA 621 CO 0.41 -0.01 1.93 0.28 0.00 0.00 0.00 175.76 178.37 3h72 h VAL 622 N 1.75 1.17 0.00 0.00 2.07 -1.81 -1.89 116.25 117.54 3h72 h VAL 622 Ca -0.49 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3h72 h VAL 622 Cb 1.19 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3h72 h VAL 622 CO 0.60 0.21 0.00 0.59 0.02 0.00 0.00 177.57 179.00 3h72 n ASN 623 N -4.44 0.00 -4.64 0.57 5.03 -1.26 -4.57 115.26 105.95 3h72 n ASN 623 Ca 0.12 0.34 -0.43 0.00 0.87 0.00 0.00 54.58 55.48 3h72 n ASN 623 Cb 0.09 -0.43 -0.02 0.00 -1.02 0.00 0.00 39.78 38.40 3h72 n ASN 623 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3h72 s ASP 624 N -2.86 6.63 -1.35 6.41 1.01 -0.71 -2.25 116.67 123.55 3h72 s ASP 624 Ca 0.12 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.12 3h72 s ASP 624 Cb 0.13 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.52 3h72 s ASP 624 CO 0.33 -1.03 0.00 -3.20 0.21 0.00 0.00 175.17 171.48 3h72 n ASN 625 N 7.56 -4.50 -4.76 0.27 5.15 0.06 -4.96 115.26 114.08 3h72 n ASN 625 Ca 0.17 0.20 -0.40 0.00 -0.60 0.00 0.00 54.58 53.94 3h72 n ASN 625 Cb 0.45 -3.41 -0.06 0.00 -0.53 0.00 0.00 39.78 36.23 3h72 n ASN 625 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3h72 s ARG 626 N -3.80 4.80 -0.30 1.20 3.52 -0.95 -4.76 118.95 118.66 3h72 s ARG 626 Ca 0.00 1.43 -0.25 0.00 -0.13 0.00 0.00 55.73 56.78 3h72 s ARG 626 Cb 0.00 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3h72 s ARG 626 CO 0.00 0.53 0.85 -1.14 -0.81 0.00 0.00 175.30 174.73 3h72 s GLN 627 N -1.18 4.02 -0.05 5.12 -0.44 -1.26 -1.03 119.66 124.83 3h72 s GLN 627 Ca 0.40 0.74 0.03 0.00 -2.50 0.00 0.00 55.36 54.03 3h72 s GLN 627 Cb -0.25 -3.72 0.00 0.00 -1.64 0.00 0.00 33.01 27.40 3h72 s GLN 627 CO 0.31 -0.70 -0.15 0.08 0.50 0.00 0.00 175.29 175.33 3h72 s VAL 628 N 3.07 1.30 -1.61 1.34 1.01 0.18 -4.82 120.40 120.86 3h72 s VAL 628 Ca 0.35 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 3h72 s VAL 628 Cb -0.14 -1.15 0.19 0.00 0.00 0.00 0.00 36.38 35.28 3h72 s VAL 628 CO 0.12 0.39 0.47 0.47 0.00 0.00 0.00 175.10 176.54 3h72 n ASP 629 N 3.45 -1.33 0.00 3.32 8.00 -1.26 -1.68 116.55 127.05 3h72 n ASP 629 Ca -0.20 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3h72 n ASP 629 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 3h72 n ASP 629 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h72 n GLY 630 N -1.14 3.07 3.92 0.44 0.00 -1.26 -5.06 105.19 105.16 3h72 n GLY 630 Ca 0.06 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 3h72 n GLY 630 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h72 s GLN 631 N 0.00 2.28 0.03 1.61 -2.07 -0.68 -5.04 119.66 115.78 3h72 s GLN 631 Ca 0.00 -1.93 -0.15 0.00 -1.82 0.00 0.00 55.36 51.45 3h72 s GLN 631 Cb 0.00 -2.20 -0.06 0.00 -1.09 0.00 0.00 33.01 29.66 3h72 s GLN 631 CO 0.00 -0.63 0.45 0.15 -1.32 0.00 0.00 175.29 173.94 3h72 s LYS 632 N -4.33 3.97 0.50 9.60 -0.14 -1.26 0.47 119.74 128.55 3h72 s LYS 632 Ca 0.39 0.47 0.03 0.00 -1.36 0.00 0.00 55.97 55.50 3h72 s LYS 632 Cb -0.03 -3.20 -0.01 0.00 -1.68 0.00 0.00 37.83 32.91 3h72 s LYS 632 CO 0.24 0.66 0.08 0.96 -0.76 0.00 0.00 175.35 176.54 3h72 s ILE 633 N -1.12 1.40 -0.03 2.17 -4.36 -0.20 -4.92 121.20 114.13 3h72 s ILE 633 Ca 0.26 -1.89 -0.06 0.00 -0.26 0.00 0.00 60.65 58.70 3h72 s ILE 633 Cb -0.17 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.26 3h72 s ILE 633 CO 0.15 0.00 0.15 -2.28 0.24 0.00 0.00 174.94 173.20 3h72 s HIS 634 N -2.83 -0.07 0.59 1.37 2.46 -1.25 -0.76 115.29 114.80 3h72 s HIS 634 Ca 0.16 0.17 0.30 0.00 0.47 0.00 0.00 55.06 56.15 3h72 s HIS 634 Cb 0.02 0.01 1.78 0.00 -0.13 0.00 0.00 32.58 34.26 3h72 s HIS 634 CO 0.09 -0.17 2.20 0.66 -2.47 0.00 0.00 174.74 175.04 3h72 h SER 635 N 5.17 0.00 1.34 9.88 4.64 -1.94 -0.00 113.55 132.63 3h72 h SER 635 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h72 h SER 635 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3h72 h SER 635 CO 0.41 0.00 -0.17 0.77 -0.87 0.00 0.00 176.83 176.97 3h72 h SER 636 N 0.00 0.00 0.00 4.97 4.64 -1.96 -3.38 113.55 117.82 3h72 h SER 636 Ca 0.03 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3h72 h SER 636 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3h72 h SER 636 CO -0.00 0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 3h72 n THR 637 N -2.27 0.00 -1.63 2.95 -2.24 -0.79 -4.62 114.28 105.68 3h72 n THR 637 Ca 0.05 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 3h72 n THR 637 Cb 0.44 1.34 0.07 0.00 -2.10 0.00 0.00 70.33 70.07 3h72 n THR 637 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h72 s MET 638 N -0.17 2.51 -0.47 -0.78 0.00 -0.08 -4.92 119.30 115.38 3h72 s MET 638 Ca 0.00 1.61 0.06 0.00 0.00 0.00 0.00 55.69 57.36 3h72 s MET 638 Cb 0.00 -1.89 0.21 0.00 0.00 0.00 0.00 34.83 33.14 3h72 s MET 638 CO 0.00 -1.52 0.66 -1.71 0.00 0.00 0.00 175.02 172.45 3h72 n ASN 639 N -2.47 -2.20 -3.43 -1.18 5.15 -1.19 -4.35 115.26 105.59 3h72 n ASN 639 Ca 0.12 -2.87 -0.15 0.00 -0.60 0.00 0.00 54.58 51.09 3h72 n ASN 639 Cb 0.51 0.96 -0.11 0.00 -0.53 0.00 0.00 39.78 40.61 3h72 n ASN 639 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3h72 s ASN 640 N -0.21 1.00 0.13 1.20 3.84 -0.28 -4.96 114.94 115.66 3h72 s ASN 640 Ca 0.32 -0.12 -0.23 0.00 0.21 0.00 0.00 52.86 53.04 3h72 s ASN 640 Cb 0.09 0.66 -0.02 0.00 -0.55 0.00 0.00 41.25 41.42 3h72 s ASN 640 CO -0.14 -0.32 1.66 -0.09 -2.79 0.00 0.00 177.10 175.41 3h72 h ARG 641 N 8.26 -0.23 0.00 0.43 2.43 -1.78 -2.76 114.38 120.72 3h72 h ARG 641 Ca -0.17 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3h72 h ARG 641 Cb 1.15 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3h72 h ARG 641 CO 0.28 -0.16 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.48 3h72 h ARG 642 N -0.24 0.00 -0.01 0.20 2.43 -1.92 -2.79 114.38 112.05 3h72 h ARG 642 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3h72 h ARG 642 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3h72 h ARG 642 CO -0.25 0.02 -0.05 0.00 -1.51 0.00 0.00 179.97 178.18 3h72 n ALA 643 N -2.11 2.69 -1.69 2.80 0.00 -1.05 -4.69 120.51 116.47 3h72 n ALA 643 Ca -0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 3h72 n ALA 643 Cb 0.27 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.50 3h72 n ALA 643 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h72 s GLN 644 N -2.13 3.27 -0.07 0.00 -0.21 -1.05 -4.97 119.66 114.49 3h72 s GLN 644 Ca 0.36 1.43 -0.04 0.00 0.02 0.00 0.00 55.36 57.14 3h72 s GLN 644 Cb 0.21 -2.01 0.04 0.00 1.00 0.00 0.00 33.01 32.24 3h72 s GLN 644 CO 0.38 -0.88 0.17 0.54 -2.12 0.00 0.00 175.29 173.38 3h72 s ASN 645 N -2.21 -0.15 0.00 5.90 2.20 -0.52 -4.50 114.94 115.66 3h72 s ASN 645 Ca 0.69 0.35 0.00 0.00 -0.94 0.00 0.00 52.86 52.95 3h72 s ASN 645 Cb -0.20 0.26 0.00 0.00 -2.00 0.00 0.00 41.25 39.31 3h72 s ASN 645 CO 0.32 -0.13 0.00 0.35 -2.94 0.00 0.00 177.10 174.69 3h72 n THR 646 N 3.96 0.00 -1.82 0.54 -2.24 -0.20 -1.08 114.28 113.43 3h72 n THR 646 Ca -0.23 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.16 3h72 n THR 646 Cb 0.53 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.80 3h72 n THR 646 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h72 s GLU 647 N 2.32 3.21 0.20 -0.78 2.02 -1.26 -4.28 118.70 120.14 3h72 s GLU 647 Ca 0.00 2.20 -0.10 0.00 0.02 0.00 0.00 54.97 57.10 3h72 s GLU 647 Cb 0.00 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 3h72 s GLU 647 CO 0.00 -1.12 0.35 -1.54 0.02 0.00 0.00 175.26 172.97 3h72 s SER 648 N -0.97 -0.01 -0.01 -0.19 1.04 -1.26 -0.32 113.70 111.98 3h72 s SER 648 Ca 0.70 -0.94 0.05 0.00 0.48 0.00 0.00 55.95 56.25 3h72 s SER 648 Cb -0.40 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 3h72 s SER 648 CO 0.47 -0.99 -0.16 0.28 0.98 0.00 0.00 173.24 173.82 3h72 s THR 649 N -4.01 1.26 -0.05 2.02 -1.32 -0.25 -4.72 115.64 108.58 3h72 s THR 649 Ca 0.21 -0.68 0.04 0.00 -1.21 0.00 0.00 61.69 60.05 3h72 s THR 649 Cb 0.02 -1.05 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 3h72 s THR 649 CO 0.05 0.36 -0.16 0.54 -2.21 0.00 0.00 174.62 173.19 3h72 s VAL 650 N -0.35 2.88 0.00 5.08 0.11 -1.26 -1.11 120.40 125.75 3h72 s VAL 650 Ca 0.06 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 3h72 s VAL 650 Cb -0.06 -2.11 -0.00 0.00 -1.53 0.00 0.00 36.38 32.67 3h72 s VAL 650 CO -0.01 0.58 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.64 3h72 s VAL 651 N -0.63 0.11 -0.12 2.04 1.01 -0.54 -4.76 120.40 117.51 3h72 s VAL 651 Ca 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3h72 s VAL 651 Cb -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 3h72 s VAL 651 CO 0.01 -0.03 -0.02 -1.58 0.00 0.00 0.00 175.10 173.48 3h72 s GLN 652 N -0.20 3.28 0.56 2.72 0.74 -1.26 -0.02 119.66 125.48 3h72 s GLN 652 Ca -0.01 -0.47 -0.04 0.00 0.05 0.00 0.00 55.36 54.89 3h72 s GLN 652 Cb -0.02 -2.84 0.01 0.00 1.10 0.00 0.00 33.01 31.27 3h72 s GLN 652 CO -0.00 0.49 0.84 -0.51 -0.55 0.00 0.00 175.29 175.56 3h72 s LEU 653 N -0.31 3.32 0.54 3.68 1.43 0.31 -4.90 118.68 122.75 3h72 s LEU 653 Ca 0.06 0.55 0.31 0.00 -1.03 0.00 0.00 54.13 54.02 3h72 s LEU 653 Cb -0.12 -3.39 1.55 0.00 0.03 0.00 0.00 46.19 44.26 3h72 s LEU 653 CO 0.02 -1.00 2.09 0.78 0.23 0.00 0.00 176.35 178.47 3h72 h ASN 654 N -0.04 0.00 -0.01 2.29 2.35 -2.00 -1.60 115.58 116.57 3h72 h ASN 654 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3h72 h ASN 654 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3h72 h ASN 654 CO 0.59 0.09 0.00 -0.46 -1.65 0.00 0.00 177.43 176.00 3h72 n ASN 655 N -3.47 0.23 0.00 5.81 2.04 -1.26 -4.90 115.26 113.71 3h72 n ASN 655 Ca -0.02 -1.28 0.00 0.00 -0.44 0.00 0.00 54.58 52.85 3h72 n ASN 655 Cb 0.23 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.48 3h72 n ASN 655 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3h72 n GLY 656 N 0.93 3.28 3.76 4.83 0.00 -0.60 -5.02 105.19 112.36 3h72 n GLY 656 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3h72 n GLY 656 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h72 s ASP 657 N -0.22 5.16 -0.10 1.61 1.01 -1.26 -4.70 116.67 118.17 3h72 s ASP 657 Ca 0.00 2.28 0.00 0.00 0.71 0.00 0.00 52.55 55.54 3h72 s ASP 657 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3h72 s ASP 657 CO 0.00 -1.60 -0.10 -0.69 0.21 0.00 0.00 175.17 172.98 3h72 s VAL 658 N -1.80 3.33 -0.09 -1.27 1.01 -0.21 -0.53 120.40 120.84 3h72 s VAL 658 Ca 0.74 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3h72 s VAL 658 Cb -0.27 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3h72 s VAL 658 CO 0.35 0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 175.33 3h72 s LYS 659 N -0.12 2.96 -0.24 2.72 -0.14 0.97 -0.42 119.74 125.48 3h72 s LYS 659 Ca -0.00 -0.67 0.02 0.00 -1.36 0.00 0.00 55.97 53.96 3h72 s LYS 659 Cb -0.13 -2.53 0.05 0.00 -1.68 0.00 0.00 37.83 33.53 3h72 s LYS 659 CO 0.03 0.43 -0.12 -1.17 -0.76 0.00 0.00 175.35 173.76 3h72 s LEU 660 N -0.22 3.06 -0.32 3.17 2.96 -0.05 -1.46 118.68 125.82 3h72 s LEU 660 Ca 0.01 -1.21 -0.20 0.00 -0.22 0.00 0.00 54.13 52.51 3h72 s LEU 660 Cb -0.13 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3h72 s LEU 660 CO 0.03 -0.16 0.63 -0.36 -1.32 0.00 0.00 176.35 175.17 3h72 s PHE 661 N 1.18 3.20 -0.09 5.38 0.40 -0.26 -1.29 117.98 126.50 3h72 s PHE 661 Ca -0.06 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 3h72 s PHE 661 Cb -0.18 -3.02 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 3h72 s PHE 661 CO -0.07 -0.51 -0.08 -1.64 0.70 0.00 0.00 175.22 173.63 3h72 s MET 662 N 2.63 2.95 0.19 0.44 -1.94 -0.48 -1.09 119.30 122.00 3h72 s MET 662 Ca 0.25 -0.57 -0.30 0.00 -1.71 0.00 0.00 55.69 53.36 3h72 s MET 662 Cb -0.15 -2.63 -0.09 0.00 2.01 0.00 0.00 34.83 33.97 3h72 s MET 662 CO 0.12 0.55 1.36 0.50 -0.01 0.00 0.00 175.02 177.54 3h72 s ARG 663 N -0.49 4.34 0.01 2.03 3.52 0.56 -4.19 118.95 124.74 3h72 s ARG 663 Ca 0.07 2.11 -0.00 0.00 -0.13 0.00 0.00 55.73 57.78 3h72 s ARG 663 Cb -0.12 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3h72 s ARG 663 CO 0.02 -0.34 0.02 0.41 -0.81 0.00 0.00 175.30 174.60 3h72 n GLY 664 N 2.64 2.74 0.76 8.12 0.00 -1.26 -1.04 105.19 117.15 3h72 n GLY 664 Ca 0.08 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.86 3h72 n GLY 664 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h72 n LEU 665 N 0.00 3.31 -0.16 0.99 4.77 -1.26 -4.07 117.00 120.59 3h72 n LEU 665 Ca -0.00 -3.63 0.11 0.00 -0.03 0.00 0.00 56.01 52.47 3h72 n LEU 665 Cb 0.02 -0.56 0.11 0.00 -2.33 0.00 0.00 43.42 40.66 3h72 n LEU 665 CO 0.01 1.16 0.31 0.35 -1.33 0.00 0.00 177.39 177.89 3h72 n THR 666 N -1.11 0.00 0.00 -5.08 -2.24 -1.26 -4.94 114.28 99.65 3h72 n THR 666 Ca 0.24 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3h72 n THR 666 Cb 0.83 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3h72 n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h72 n GLY 667 N 1.45 2.04 3.33 3.38 0.00 -1.25 -5.01 105.19 109.14 3h72 n GLY 667 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3h72 n GLY 667 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h72 s ASP 668 N -2.43 1.55 -0.03 1.61 1.47 -1.26 -1.17 116.67 116.41 3h72 s ASP 668 Ca 0.00 -1.59 -0.30 0.00 1.18 0.00 0.00 52.55 51.84 3h72 s ASP 668 Cb 0.00 0.42 -0.06 0.00 -0.34 0.00 0.00 42.92 42.95 3h72 s ASP 668 CO 0.00 -0.91 1.56 -0.22 0.68 0.00 0.00 175.17 176.27 3h72 s LEU 669 N -3.38 4.31 -0.17 2.11 2.96 0.23 -4.46 118.68 120.29 3h72 s LEU 669 Ca 0.36 2.19 -0.06 0.00 -0.22 0.00 0.00 54.13 56.40 3h72 s LEU 669 Cb 0.05 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 3h72 s LEU 669 CO 0.19 -0.86 0.02 -1.10 -1.32 0.00 0.00 176.35 173.28 3h72 s GLN 670 N 3.39 3.82 -0.06 1.98 -0.21 -1.26 -0.64 119.66 126.70 3h72 s GLN 670 Ca 0.69 -0.42 0.01 0.00 0.02 0.00 0.00 55.36 55.67 3h72 s GLN 670 Cb -0.33 -3.08 0.02 0.00 1.00 0.00 0.00 33.01 30.63 3h72 s GLN 670 CO 0.28 0.28 -0.07 0.08 -2.12 0.00 0.00 175.29 173.73 3h72 s VAL 671 N 0.32 0.77 0.22 1.09 1.01 0.11 -1.38 120.40 122.55 3h72 s VAL 671 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.80 3h72 s VAL 671 Cb -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3h72 s VAL 671 CO 0.01 0.28 0.09 0.00 0.00 0.00 0.00 175.10 175.49 3h72 s ALA 672 N 0.89 3.40 -0.02 5.51 0.00 -0.41 -0.63 121.76 130.49 3h72 s ALA 672 Ca -0.11 -1.43 0.04 0.00 0.00 0.00 0.00 51.96 50.46 3h72 s ALA 672 Cb -0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3h72 s ALA 672 CO 0.01 0.35 -0.13 0.99 0.00 0.00 0.00 175.76 176.98 3h72 s THR 673 N -2.02 1.09 -0.06 0.00 2.01 -1.26 -0.87 115.64 114.52 3h72 s THR 673 Ca 0.31 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.80 3h72 s THR 673 Cb -0.08 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 3h72 s THR 673 CO 0.22 0.32 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.68 3h72 s SER 674 N -0.10 2.89 0.00 3.53 0.15 0.44 -0.37 113.70 120.24 3h72 s SER 674 Ca 0.01 -0.49 0.17 0.00 0.70 0.00 0.00 55.95 56.34 3h72 s SER 674 Cb -0.08 -0.91 0.23 0.00 -1.71 0.00 0.00 66.02 63.55 3h72 s SER 674 CO 0.00 0.21 1.14 0.29 1.20 0.00 0.00 173.24 176.09 3h72 n LYS 675 N 3.12 1.79 -2.26 5.44 5.02 -1.26 -1.04 118.16 128.97 3h72 n LYS 675 Ca -0.18 -1.76 -0.18 0.00 -2.02 0.00 0.00 58.31 54.17 3h72 n LYS 675 Cb 0.52 -1.35 0.03 0.00 -0.02 0.00 0.00 35.03 34.20 3h72 n LYS 675 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3h72 n ASP 676 N 1.00 4.05 -0.76 4.39 5.68 -1.26 -4.93 116.55 124.71 3h72 n ASP 676 Ca 0.12 -3.32 -0.08 0.00 -0.50 0.00 0.00 54.79 51.02 3h72 n ASP 676 Cb 0.46 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 3h72 n ASP 676 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h72 n GLY 677 N -0.66 0.39 1.12 6.12 0.00 -1.26 -3.64 105.19 107.26 3h72 n GLY 677 Ca 0.34 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3h72 n GLY 677 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h72 n GLY 678 N -1.39 0.69 0.13 -0.02 0.00 -1.26 -4.97 105.19 98.36 3h72 n GLY 678 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3h72 n GLY 678 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h72 h VAL 679 N 0.00 1.48 -3.14 1.61 2.07 -1.92 -3.41 116.25 112.93 3h72 h VAL 679 Ca 0.00 -2.16 -0.48 0.00 0.82 0.00 0.00 66.70 64.88 3h72 h VAL 679 Cb 0.00 2.78 -0.16 0.00 -1.52 0.00 0.00 31.29 32.38 3h72 h VAL 679 CO 0.00 0.62 -0.76 0.42 0.02 0.00 0.00 177.57 177.87 3h72 s THR 680 N -3.01 1.75 -0.05 2.57 -4.23 -1.26 0.23 115.64 111.64 3h72 s THR 680 Ca -0.14 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.41 3h72 s THR 680 Cb 0.02 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 3h72 s THR 680 CO 0.81 -0.44 -0.22 0.26 -0.54 0.00 0.00 174.62 174.49 3h72 s TRP 681 N -2.43 2.49 0.91 3.99 0.52 -1.26 -4.22 118.94 118.95 3h72 s TRP 681 Ca 0.18 -0.52 -0.11 0.00 0.02 0.00 0.00 56.10 55.67 3h72 s TRP 681 Cb -0.04 -1.60 0.14 0.00 -1.15 0.00 0.00 33.47 30.83 3h72 s TRP 681 CO 0.06 -0.08 1.10 -1.21 0.02 0.00 0.00 176.95 176.85 3h72 s GLU 682 N -0.37 1.10 0.64 4.98 0.41 0.50 -5.00 118.70 120.97 3h72 s GLU 682 Ca 0.03 1.20 -0.16 0.00 -0.41 0.00 0.00 54.97 55.63 3h72 s GLU 682 Cb -0.12 -1.76 -0.01 0.00 -1.78 0.00 0.00 34.13 30.46 3h72 s GLU 682 CO 0.02 -2.46 1.11 0.21 -0.49 0.00 0.00 175.26 173.64 3h72 s LYS 683 N -4.75 2.92 -0.16 1.61 2.20 -1.26 -4.69 119.74 115.61 3h72 s LYS 683 Ca 0.65 1.40 -0.06 0.00 -0.36 0.00 0.00 55.97 57.60 3h72 s LYS 683 Cb -0.21 -1.96 0.02 0.00 -1.51 0.00 0.00 37.83 34.17 3h72 s LYS 683 CO 0.58 -1.16 0.13 -0.25 -0.36 0.00 0.00 175.35 174.29 3h72 n ASP 684 N -2.24 -2.43 -4.76 1.43 8.00 -1.26 -4.96 116.55 110.33 3h72 n ASP 684 Ca 0.10 1.00 -0.40 0.00 0.71 0.00 0.00 54.79 56.20 3h72 n ASP 684 Cb 0.52 -4.11 -0.04 0.00 -0.02 0.00 0.00 41.12 37.47 3h72 n ASP 684 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h72 s ILE 685 N -0.70 3.28 -0.04 0.53 1.09 -1.26 -4.92 121.20 119.18 3h72 s ILE 685 Ca -0.15 1.26 -0.16 0.00 -1.10 0.00 0.00 60.65 60.50 3h72 s ILE 685 Cb 0.01 -3.79 -0.05 0.00 -1.06 0.00 0.00 42.46 37.57 3h72 s ILE 685 CO 0.58 0.28 0.44 -0.75 -0.10 0.00 0.00 174.94 175.39 3h72 s LYS 686 N -1.64 4.11 -0.06 2.79 2.47 0.20 -4.89 119.74 122.72 3h72 s LYS 686 Ca 0.47 0.44 0.04 0.00 -1.56 0.00 0.00 55.97 55.36 3h72 s LYS 686 Cb -0.33 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 32.71 3h72 s LYS 686 CO 0.43 0.48 -0.18 1.03 0.16 0.00 0.00 175.35 177.28 3h72 s ARG 687 N -0.43 2.62 -0.37 4.03 0.52 -1.26 0.09 118.95 124.15 3h72 s ARG 687 Ca 0.25 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3h72 s ARG 687 Cb -0.16 -2.34 0.11 0.00 0.52 0.00 0.00 34.95 33.08 3h72 s ARG 687 CO 0.12 0.49 0.10 0.71 0.02 0.00 0.00 175.30 176.74 3h72 s TYR 688 N -0.41 3.67 -0.62 -0.53 2.02 0.19 -4.96 117.35 116.72 3h72 s TYR 688 Ca 0.04 -2.97 0.14 0.00 -0.37 0.00 0.00 57.07 53.92 3h72 s TYR 688 Cb -0.12 -2.95 0.70 0.00 -0.40 0.00 0.00 41.96 39.18 3h72 s TYR 688 CO 0.02 -0.92 1.44 -0.35 -1.57 0.00 0.00 175.55 174.17 3h72 n PRO 689 N 4.13 0.09 0.27 -1.71 -0.04 -1.26 -1.64 135.00 134.83 3h72 n PRO 689 Ca 0.04 0.49 0.16 0.00 -0.04 0.00 0.00 63.50 64.15 3h72 n PRO 689 Cb 0.41 -1.73 0.60 0.00 -0.04 0.00 0.00 33.50 32.73 3h72 n PRO 689 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3h72 h GLN 690 N 0.00 0.00 -4.72 0.54 7.50 -1.97 -3.40 115.11 113.05 3h72 h GLN 690 Ca 0.00 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.50 3h72 h GLN 690 Cb 0.11 0.00 -0.37 0.00 0.05 0.00 0.00 27.48 27.27 3h72 h GLN 690 CO 0.00 0.00 -0.80 0.08 -1.50 0.00 0.00 178.83 176.61 3h72 s VAL 691 N -3.58 1.92 0.55 -0.54 1.01 -0.65 -5.08 120.40 114.03 3h72 s VAL 691 Ca 0.02 -1.37 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 3h72 s VAL 691 Cb 0.08 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 3h72 s VAL 691 CO 0.56 0.05 1.06 -0.54 0.00 0.00 0.00 175.10 176.23 3h72 s LYS 692 N 1.24 3.47 -0.21 2.72 -0.14 -1.26 -0.60 119.74 124.96 3h72 s LYS 692 Ca -0.06 1.33 -0.03 0.00 -1.36 0.00 0.00 55.97 55.85 3h72 s LYS 692 Cb -0.18 -2.05 0.07 0.00 -1.68 0.00 0.00 37.83 33.98 3h72 s LYS 692 CO -0.07 -0.70 0.06 0.34 -0.76 0.00 0.00 175.35 174.22 3h72 s ASP 693 N -2.33 2.96 -0.13 2.83 2.15 -0.32 -4.63 116.67 117.20 3h72 s ASP 693 Ca 0.66 -0.89 0.07 0.00 0.43 0.00 0.00 52.55 52.83 3h72 s ASP 693 Cb -0.17 -0.55 0.44 0.00 -0.30 0.00 0.00 42.92 42.34 3h72 s ASP 693 CO 0.29 -0.33 1.17 1.33 -0.17 0.00 0.00 175.17 177.46 3h72 n VAL 694 N 5.08 1.49 -2.16 1.11 0.24 -1.26 -3.83 118.33 119.00 3h72 n VAL 694 Ca -0.08 -0.75 -0.00 0.00 -2.04 0.00 0.00 64.34 61.47 3h72 n VAL 694 Cb 0.47 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 3h72 n VAL 694 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h72 n TYR 695 N 0.33 -1.27 -3.55 6.34 9.36 -1.26 -4.92 117.16 122.20 3h72 n TYR 695 Ca 0.15 0.48 -0.13 0.00 3.32 0.00 0.00 57.90 61.72 3h72 n TYR 695 Cb 0.76 -2.61 -0.04 0.00 -0.63 0.00 0.00 39.34 36.82 3h72 n TYR 695 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3h72 s VAL 696 N -2.99 0.03 0.75 2.97 0.11 -1.26 -5.02 120.40 114.98 3h72 s VAL 696 Ca 0.00 -0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 58.67 3h72 s VAL 696 Cb -0.00 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3h72 s VAL 696 CO 0.32 -0.13 1.15 1.67 -3.33 0.00 0.00 175.10 174.78 3h72 n GLN 697 N 0.14 0.51 -4.03 1.54 0.00 -1.26 -4.78 117.38 109.49 3h72 n GLN 697 Ca -0.18 0.24 -0.09 0.00 -0.00 0.00 0.00 57.00 56.97 3h72 n GLN 697 Cb 0.62 -2.40 -0.08 0.00 0.00 0.00 0.00 30.24 28.38 3h72 n GLN 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h72 s MET 698 N -3.70 0.98 0.03 3.69 0.23 -1.26 -4.59 119.30 114.67 3h72 s MET 698 Ca 0.76 -1.25 0.02 0.00 -1.03 0.00 0.00 55.69 54.18 3h72 s MET 698 Cb -0.33 0.30 -0.02 0.00 -1.53 0.00 0.00 34.83 33.26 3h72 s MET 698 CO 0.48 -0.31 -0.07 -1.54 -2.03 0.00 0.00 175.02 171.55 3h72 s SER 699 N -2.98 0.83 -0.02 -1.18 1.04 -1.03 -4.53 113.70 105.82 3h72 s SER 699 Ca 0.17 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.05 3h72 s SER 699 Cb 0.06 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.20 3h72 s SER 699 CO -0.02 -0.16 0.17 0.00 0.98 0.00 0.00 173.24 174.21 3h72 s ALA 700 N -1.17 -0.40 0.03 5.32 0.00 -1.26 -0.63 121.76 123.66 3h72 s ALA 700 Ca -0.08 0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3h72 s ALA 700 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3h72 s ALA 700 CO 0.00 -0.18 -0.05 0.96 0.00 0.00 0.00 175.76 176.50 3h72 s ILE 701 N -0.97 0.29 0.24 0.00 -4.36 0.29 -4.74 121.20 111.94 3h72 s ILE 701 Ca -0.11 -1.13 -0.17 0.00 -0.26 0.00 0.00 60.65 58.99 3h72 s ILE 701 Cb -0.06 -0.60 -0.08 0.00 1.25 0.00 0.00 42.46 42.97 3h72 s ILE 701 CO 0.01 -0.54 0.69 -2.28 0.24 0.00 0.00 174.94 173.06 3h72 s HIS 702 N -1.85 3.55 -0.01 1.37 5.65 -1.26 -1.19 115.29 121.55 3h72 s HIS 702 Ca -0.10 1.27 -0.28 0.00 0.25 0.00 0.00 55.06 56.20 3h72 s HIS 702 Cb -0.07 -2.54 0.06 0.00 -1.18 0.00 0.00 32.58 28.85 3h72 s HIS 702 CO -0.02 0.28 0.62 -0.08 -0.65 0.00 0.00 174.74 174.88 3h72 s THR 703 N -1.66 0.01 0.09 0.89 -1.32 -0.70 -4.93 115.64 108.02 3h72 s THR 703 Ca 0.46 -0.08 0.07 0.00 -1.21 0.00 0.00 61.69 60.93 3h72 s THR 703 Cb -0.14 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 3h72 s THR 703 CO 0.20 -0.04 -0.13 -0.04 -2.21 0.00 0.00 174.62 172.40 3h72 s MET 704 N -1.63 2.06 -0.24 7.08 -1.94 -1.26 -1.03 119.30 122.33 3h72 s MET 704 Ca -0.09 -1.03 -0.09 0.00 -1.71 0.00 0.00 55.69 52.76 3h72 s MET 704 Cb -0.01 -2.26 0.10 0.00 2.01 0.00 0.00 34.83 34.68 3h72 s MET 704 CO 0.06 0.51 0.53 -1.58 -0.01 0.00 0.00 175.02 174.52 3h72 s HIS 705 N -1.14 -1.02 -1.48 -0.03 5.04 -0.44 -4.92 115.29 111.31 3h72 s HIS 705 Ca 0.19 1.86 -0.12 0.00 -1.54 0.00 0.00 55.06 55.46 3h72 s HIS 705 Cb -0.11 0.52 0.07 0.00 0.04 0.00 0.00 32.58 33.10 3h72 s HIS 705 CO 0.11 -0.55 0.84 0.39 -2.34 0.00 0.00 174.74 173.19 3h72 n GLU 706 N 5.25 -5.02 -0.98 2.88 1.02 -1.26 -1.21 120.64 121.32 3h72 n GLU 706 Ca -0.12 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 3h72 n GLU 706 Cb 0.50 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.46 3h72 n GLU 706 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h72 n GLY 707 N -1.56 0.71 3.61 0.62 0.00 -1.26 -5.02 105.19 102.28 3h72 n GLY 707 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3h72 n GLY 707 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h72 s LYS 708 N -0.12 2.23 -0.10 1.61 1.02 -0.35 -5.12 119.74 118.91 3h72 s LYS 708 Ca 0.00 -1.05 -0.13 0.00 0.02 0.00 0.00 55.97 54.81 3h72 s LYS 708 Cb 0.00 -2.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.93 3h72 s LYS 708 CO 0.00 0.49 0.32 -2.00 -0.92 0.00 0.00 175.35 173.24 3h72 s GLU 709 N -2.46 4.05 0.17 1.68 2.12 -1.26 -1.32 118.70 121.67 3h72 s GLU 709 Ca 0.24 0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.74 3h72 s GLU 709 Cb -0.10 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 3h72 s GLU 709 CO 0.16 0.44 0.10 0.71 -0.54 0.00 0.00 175.26 176.12 3h72 s TYR 710 N -0.18 1.02 -0.03 5.30 2.02 -0.20 -0.38 117.35 124.90 3h72 s TYR 710 Ca 0.19 -1.31 0.01 0.00 -0.37 0.00 0.00 57.07 55.59 3h72 s TYR 710 Cb -0.14 -0.52 0.02 0.00 -0.40 0.00 0.00 41.96 40.91 3h72 s TYR 710 CO 0.07 -0.58 -0.04 0.42 -1.57 0.00 0.00 175.55 173.85 3h72 s ILE 711 N -4.11 0.48 -0.17 2.71 1.01 0.01 -1.71 121.20 119.42 3h72 s ILE 711 Ca 0.32 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.81 3h72 s ILE 711 Cb 0.07 -0.49 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 3h72 s ILE 711 CO 0.07 0.20 -0.04 -0.63 0.00 0.00 0.00 174.94 174.54 3h72 s ILE 712 N 0.70 3.76 -0.05 2.92 1.01 -0.33 -1.34 121.20 127.87 3h72 s ILE 712 Ca -0.09 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3h72 s ILE 712 Cb -0.12 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.70 3h72 s ILE 712 CO -0.00 0.48 -0.10 -0.22 0.00 0.00 0.00 174.94 175.10 3h72 s LEU 713 N 0.59 1.64 -0.02 2.97 0.20 -0.15 -0.55 118.68 123.37 3h72 s LEU 713 Ca -0.03 -0.23 0.07 0.00 0.69 0.00 0.00 54.13 54.63 3h72 s LEU 713 Cb -0.14 -0.67 -0.02 0.00 -0.43 0.00 0.00 46.19 44.93 3h72 s LEU 713 CO 0.03 0.03 -0.24 -0.55 -0.29 0.00 0.00 176.35 175.33 3h72 s SER 714 N 0.52 2.81 0.11 3.68 0.15 0.20 0.62 113.70 121.79 3h72 s SER 714 Ca -0.10 -0.44 -0.26 0.00 0.70 0.00 0.00 55.95 55.86 3h72 s SER 714 Cb -0.13 -0.31 0.08 0.00 -1.71 0.00 0.00 66.02 63.95 3h72 s SER 714 CO 0.02 0.29 1.10 0.54 1.20 0.00 0.00 173.24 176.39 3h72 s ASN 715 N -0.59 -0.07 0.32 5.45 6.03 -1.04 -2.47 114.94 122.57 3h72 s ASN 715 Ca 0.09 -0.41 -0.29 0.00 -1.03 0.00 0.00 52.86 51.22 3h72 s ASN 715 Cb -0.09 0.38 -0.11 0.00 -3.03 0.00 0.00 41.25 38.40 3h72 s ASN 715 CO -0.01 -0.73 1.43 0.00 -2.03 0.00 0.00 177.10 175.76 3h72 s ALA 716 N -2.59 3.58 -0.27 3.54 0.00 -1.26 -1.51 121.76 123.25 3h72 s ALA 716 Ca 0.18 1.41 0.21 0.00 0.00 0.00 0.00 51.96 53.75 3h72 s ALA 716 Cb -0.00 -3.56 0.10 0.00 0.00 0.00 0.00 23.12 19.66 3h72 s ALA 716 CO 0.02 -0.83 1.25 0.78 0.00 0.00 0.00 175.76 176.97 3h72 h GLY 717 N 3.85 0.00 0.00 0.00 0.00 -0.34 -3.43 103.07 103.14 3h72 h GLY 717 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3h72 h GLY 717 CO 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 3h72 n GLY 718 N 1.19 -2.95 0.23 4.60 0.00 -0.92 -4.88 105.19 102.46 3h72 n GLY 718 Ca 0.00 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 44.12 3h72 n GLY 718 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h72 h PRO 719 N 0.00 0.00 0.00 1.61 0.13 -1.98 -3.43 132.00 128.33 3h72 h PRO 719 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3h72 h PRO 719 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3h72 h PRO 719 CO 0.00 0.16 0.00 1.63 -0.23 0.00 0.00 178.00 179.56 3h72 n LYS 720 N -4.22 3.56 -2.45 0.86 5.02 -1.26 -4.91 118.16 114.76 3h72 n LYS 720 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 3h72 n LYS 720 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 3h72 n LYS 720 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h72 n ARG 721 N 0.00 3.16 -3.90 1.97 1.74 -1.26 -4.70 116.66 113.67 3h72 n ARG 721 Ca 0.00 -3.21 -0.09 0.00 -0.77 0.00 0.00 57.85 53.78 3h72 n ARG 721 Cb 0.00 -3.41 -0.05 0.00 -1.02 0.00 0.00 32.46 27.98 3h72 n ARG 721 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3h72 s GLU 722 N 3.73 1.47 -0.68 5.56 -1.05 -1.17 -1.25 118.70 125.31 3h72 s GLU 722 Ca 0.51 -1.09 -0.06 0.00 -0.15 0.00 0.00 54.97 54.18 3h72 s GLU 722 Cb 0.05 0.49 0.01 0.00 -0.44 0.00 0.00 34.13 34.24 3h72 s GLU 722 CO 0.04 -0.62 0.66 -1.71 0.95 0.00 0.00 175.26 174.58 3h72 n ASN 723 N -0.36 -6.92 -4.77 0.83 5.15 0.70 -2.07 115.26 107.82 3h72 n ASN 723 Ca -0.05 -0.19 -0.41 0.00 -0.60 0.00 0.00 54.58 53.33 3h72 n ASN 723 Cb 0.62 -4.14 -0.02 0.00 -0.53 0.00 0.00 39.78 35.71 3h72 n ASN 723 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3h72 s GLY 724 N -2.80 2.87 0.16 8.20 0.00 0.02 -0.73 107.32 115.05 3h72 s GLY 724 Ca 0.08 1.37 0.06 0.00 0.00 0.00 0.00 44.72 46.23 3h72 s GLY 724 CO 0.80 2.08 -0.13 1.06 0.00 0.00 0.00 173.10 176.91 3h72 s MET 725 N -1.66 1.16 -0.30 2.90 1.00 -0.57 0.24 119.30 122.07 3h72 s MET 725 Ca 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 55.69 54.75 3h72 s MET 725 Cb -0.42 -0.91 0.06 0.00 0.00 0.00 0.00 34.83 33.56 3h72 s MET 725 CO 0.55 0.15 -0.01 0.14 0.00 0.00 0.00 175.02 175.84 3h72 s VAL 726 N -2.87 2.68 -0.03 -6.03 -7.23 -0.04 -2.49 120.40 104.39 3h72 s VAL 726 Ca 0.17 -1.62 -0.21 0.00 -1.81 0.00 0.00 61.98 58.51 3h72 s VAL 726 Cb -0.01 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 3h72 s VAL 726 CO 0.04 -0.18 0.62 -1.00 -0.31 0.00 0.00 175.10 174.27 3h72 s HIS 727 N 1.16 3.64 -0.16 2.82 3.76 0.20 -3.18 115.29 123.54 3h72 s HIS 727 Ca -0.04 1.20 -0.01 0.00 -0.15 0.00 0.00 55.06 56.06 3h72 s HIS 727 Cb -0.20 -2.67 -0.01 0.00 1.11 0.00 0.00 32.58 30.81 3h72 s HIS 727 CO -0.03 0.26 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.85 3h72 s LEU 728 N 0.15 2.79 -0.01 0.89 2.96 -0.17 -0.97 118.68 124.32 3h72 s LEU 728 Ca 0.33 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3h72 s LEU 728 Cb -0.18 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3h72 s LEU 728 CO 0.17 0.11 -0.17 0.00 -1.32 0.00 0.00 176.35 175.14 3h72 s ALA 729 N 0.71 1.40 -0.06 5.97 0.00 -0.45 0.27 121.76 129.60 3h72 s ALA 729 Ca -0.05 -0.73 -0.14 0.00 0.00 0.00 0.00 51.96 51.04 3h72 s ALA 729 Cb -0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 3h72 s ALA 729 CO 0.02 0.34 0.35 0.50 0.00 0.00 0.00 175.76 176.97 3h72 s ARG 730 N -0.43 3.93 -0.52 0.00 3.52 0.40 -0.81 118.95 125.04 3h72 s ARG 730 Ca 0.06 0.27 -0.19 0.00 -0.13 0.00 0.00 55.73 55.75 3h72 s ARG 730 Cb -0.07 -3.27 0.07 0.00 -1.56 0.00 0.00 34.95 30.13 3h72 s ARG 730 CO -0.01 0.58 0.62 0.08 -0.81 0.00 0.00 175.30 175.77 3h72 s VAL 731 N -0.66 4.91 1.01 7.11 1.01 0.49 -1.40 120.40 132.86 3h72 s VAL 731 Ca 0.21 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3h72 s VAL 731 Cb -0.15 -4.33 0.20 0.00 0.00 0.00 0.00 36.38 32.10 3h72 s VAL 731 CO 0.10 -0.86 1.08 -1.61 0.00 0.00 0.00 175.10 173.81 3h72 s GLU 732 N 2.52 0.32 0.27 2.72 0.41 0.35 -4.57 118.70 120.72 3h72 s GLU 732 Ca 0.13 1.00 -0.03 0.00 -0.41 0.00 0.00 54.97 55.67 3h72 s GLU 732 Cb -0.21 -1.69 0.40 0.00 -1.78 0.00 0.00 34.13 30.85 3h72 s GLU 732 CO 0.10 -2.94 1.91 0.93 -0.49 0.00 0.00 175.26 174.77 3h72 h GLU 733 N -2.06 1.16 0.00 1.61 4.39 -1.97 0.33 114.58 118.03 3h72 h GLU 733 Ca -0.53 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.10 3h72 h GLU 733 Cb 1.30 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3h72 h GLU 733 CO 0.50 0.76 0.00 0.27 -1.16 0.00 0.00 179.01 179.38 3h72 n ASN 734 N -4.46 0.00 0.00 1.42 0.23 -1.26 -4.84 115.26 106.34 3h72 n ASN 734 Ca 0.14 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 3h72 n ASN 734 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3h72 n ASN 734 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h72 n GLY 735 N 0.39 1.32 3.82 4.83 0.00 0.11 -5.04 105.19 110.62 3h72 n GLY 735 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3h72 n GLY 735 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 736 N -0.31 3.20 -0.17 1.61 2.02 -1.26 -4.71 118.70 119.09 3h72 s GLU 736 Ca 0.00 1.02 -0.06 0.00 0.02 0.00 0.00 54.97 55.95 3h72 s GLU 736 Cb 0.00 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 3h72 s GLU 736 CO 0.00 -0.89 0.03 -0.51 0.02 0.00 0.00 175.26 173.91 3h72 s LEU 737 N -5.04 3.64 -0.23 1.80 1.43 -1.26 -0.49 118.68 118.52 3h72 s LEU 737 Ca 0.60 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3h72 s LEU 737 Cb -0.14 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 44.22 3h72 s LEU 737 CO 0.47 0.18 -0.14 -0.89 0.23 0.00 0.00 176.35 176.20 3h72 s THR 738 N 0.31 2.16 -0.01 5.49 2.01 -0.49 -4.94 115.64 120.17 3h72 s THR 738 Ca 0.01 -1.39 -0.30 0.00 0.31 0.00 0.00 61.69 60.32 3h72 s THR 738 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 3h72 s THR 738 CO 0.01 0.16 1.15 0.26 -0.69 0.00 0.00 174.62 175.52 3h72 s TRP 739 N 1.17 3.36 -0.11 4.92 0.52 -1.26 -0.45 118.94 127.08 3h72 s TRP 739 Ca -0.04 1.34 0.05 0.00 0.02 0.00 0.00 56.10 57.47 3h72 s TRP 739 Cb -0.18 -3.36 -0.11 0.00 -1.15 0.00 0.00 33.47 28.68 3h72 s TRP 739 CO -0.08 -1.03 -0.04 1.28 0.02 0.00 0.00 176.95 177.11 3h72 n LEU 740 N 4.60 1.42 -3.91 2.99 4.77 0.14 -4.96 117.00 122.05 3h72 n LEU 740 Ca 0.09 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 3h72 n LEU 740 Cb 0.47 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 3h72 n LEU 740 CO 0.55 0.47 -0.18 -0.75 -1.33 0.00 0.00 177.39 176.15 3h72 s LYS 741 N -2.25 0.65 -0.30 3.23 2.47 -1.15 -4.98 119.74 117.40 3h72 s LYS 741 Ca -0.11 -0.78 0.19 0.00 -1.56 0.00 0.00 55.97 53.71 3h72 s LYS 741 Cb 0.04 0.26 0.47 0.00 -1.46 0.00 0.00 37.83 37.14 3h72 s LYS 741 CO 0.36 -0.17 1.10 0.72 0.16 0.00 0.00 175.35 177.52 3h72 n HIS 742 N 0.59 0.64 -1.84 4.03 8.25 -1.26 -1.00 115.22 124.64 3h72 n HIS 742 Ca -0.18 -2.35 -0.41 0.00 -0.26 0.00 0.00 57.72 54.51 3h72 n HIS 742 Cb 0.59 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.69 3h72 n HIS 742 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3h72 s ASN 743 N -3.10 6.45 0.31 0.41 0.01 -1.19 -4.64 114.94 113.19 3h72 s ASN 743 Ca 0.25 2.86 -0.29 0.00 -0.71 0.00 0.00 52.86 54.97 3h72 s ASN 743 Cb 0.39 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 39.33 3h72 s ASN 743 CO -0.02 -0.86 1.15 -2.16 -1.51 0.00 0.00 177.10 173.70 3h72 s PRO 744 N -0.32 4.51 -0.01 -0.60 0.04 -1.26 -0.86 135.00 136.51 3h72 s PRO 744 Ca 0.63 1.89 0.03 0.00 0.04 0.00 0.00 61.00 63.59 3h72 s PRO 744 Cb -0.46 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 3h72 s PRO 744 CO 0.45 0.07 0.06 1.51 0.04 0.00 0.00 177.00 179.13 3h72 n ILE 745 N 0.96 0.01 -3.45 0.56 3.06 0.14 -4.87 119.36 115.76 3h72 n ILE 745 Ca -0.00 -0.07 -0.06 0.00 -2.50 0.00 0.00 62.75 60.12 3h72 n ILE 745 Cb 0.44 0.34 -0.07 0.00 0.54 0.00 0.00 39.64 40.89 3h72 n ILE 745 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3h72 s GLN 746 N -2.19 0.39 0.74 9.51 2.00 -1.13 -4.99 119.66 123.99 3h72 s GLN 746 Ca -0.01 0.87 -0.11 0.00 -2.00 0.00 0.00 55.36 54.10 3h72 s GLN 746 Cb 0.02 0.09 0.04 0.00 0.80 0.00 0.00 33.01 33.95 3h72 s GLN 746 CO 0.12 -0.46 1.08 -1.59 -0.50 0.00 0.00 175.29 173.93 3h72 s LYS 747 N 2.65 2.53 2.02 1.67 -2.85 -1.26 -0.80 119.74 123.70 3h72 s LYS 747 Ca 0.07 0.79 0.00 0.00 -1.00 0.00 0.00 55.97 55.84 3h72 s LYS 747 Cb -0.14 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 3h72 s LYS 747 CO -0.16 -1.35 0.00 0.41 0.10 0.00 0.00 175.35 174.35 3h72 n GLY 748 N -2.06 -1.38 3.66 0.59 0.00 -1.26 -4.71 105.19 100.02 3h72 n GLY 748 Ca 0.07 -1.29 -0.46 0.00 0.00 0.00 0.00 46.02 44.35 3h72 n GLY 748 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h72 n GLU 749 N -0.00 1.90 -3.66 1.61 -0.58 -1.26 -0.21 120.64 118.44 3h72 n GLU 749 Ca 0.00 0.68 -0.07 0.00 -0.42 0.00 0.00 57.16 57.35 3h72 n GLU 749 Cb 0.00 -2.33 -0.07 0.00 -0.57 0.00 0.00 31.44 28.47 3h72 n GLU 749 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3h72 s PHE 750 N 0.07 -1.00 0.00 -0.32 5.36 -0.38 -4.08 117.98 117.63 3h72 s PHE 750 Ca 0.71 1.92 0.00 0.00 -0.96 0.00 0.00 56.93 58.60 3h72 s PHE 750 Cb -0.69 0.55 0.00 0.00 -0.34 0.00 0.00 43.02 42.54 3h72 s PHE 750 CO 0.48 -0.51 0.00 0.00 -1.46 0.00 0.00 175.22 173.73 3h72 n ALA 751 N 4.70 0.00 -1.75 11.12 0.00 -0.91 -3.06 120.51 130.62 3h72 n ALA 751 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 3h72 n ALA 751 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 3h72 n ALA 751 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h72 s TYR 752 N 2.79 2.27 0.22 0.00 1.51 -1.26 -4.61 117.35 118.27 3h72 s TYR 752 Ca 0.00 1.42 -0.15 0.00 -1.01 0.00 0.00 57.07 57.34 3h72 s TYR 752 Cb 0.00 -3.72 0.01 0.00 -0.11 0.00 0.00 41.96 38.14 3h72 s TYR 752 CO 0.00 -2.77 0.48 0.54 -1.11 0.00 0.00 175.55 172.70 3h72 s ASN 753 N -1.15 -0.14 -0.15 2.29 4.22 -1.26 -0.72 114.94 118.02 3h72 s ASN 753 Ca 0.75 -0.74 -0.06 0.00 -2.14 0.00 0.00 52.86 50.67 3h72 s ASN 753 Cb -0.38 0.57 0.07 0.00 1.28 0.00 0.00 41.25 42.79 3h72 s ASN 753 CO 0.43 -1.09 0.32 -0.55 -2.04 0.00 0.00 177.10 174.17 3h72 s SER 754 N -2.95 0.07 0.09 3.54 0.15 0.28 -4.29 113.70 110.60 3h72 s SER 754 Ca 0.16 0.72 -0.02 0.00 0.70 0.00 0.00 55.95 57.51 3h72 s SER 754 Cb -0.01 0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 65.13 3h72 s SER 754 CO 0.03 -0.23 0.27 -0.76 1.20 0.00 0.00 173.24 173.75 3h72 s LEU 755 N 2.32 4.33 -0.11 3.45 1.43 -1.26 -1.39 118.68 127.45 3h72 s LEU 755 Ca -0.01 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.34 3h72 s LEU 755 Cb -0.12 -3.08 0.03 0.00 0.03 0.00 0.00 46.19 43.06 3h72 s LEU 755 CO -0.10 0.13 0.36 -1.10 0.23 0.00 0.00 176.35 175.87 3h72 s GLN 756 N -2.55 0.50 0.08 1.70 -1.52 -0.57 -4.89 119.66 112.40 3h72 s GLN 756 Ca 0.37 0.34 -0.24 0.00 -1.95 0.00 0.00 55.36 53.88 3h72 s GLN 756 Cb -0.13 0.24 -0.06 0.00 -0.22 0.00 0.00 33.01 32.84 3h72 s GLN 756 CO 0.27 -0.09 0.72 -2.00 -0.25 0.00 0.00 175.29 173.94 3h72 s GLU 757 N -0.20 4.46 -0.02 2.91 2.12 -1.26 -0.22 118.70 126.48 3h72 s GLU 757 Ca -0.04 1.01 0.20 0.00 0.36 0.00 0.00 54.97 56.50 3h72 s GLU 757 Cb -0.03 -3.31 -0.28 0.00 0.26 0.00 0.00 34.13 30.76 3h72 s GLU 757 CO 0.02 0.42 0.54 1.28 -0.54 0.00 0.00 175.26 176.98 3h72 n LEU 758 N 2.30 0.26 0.00 2.70 4.77 0.20 -4.87 117.00 122.36 3h72 n LEU 758 Ca -0.05 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3h72 n LEU 758 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3h72 n LEU 758 CO 0.46 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3h72 n GLY 759 N 1.40 2.42 3.63 -0.72 0.00 -1.09 -4.92 105.19 105.91 3h72 n GLY 759 Ca -0.02 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 3h72 n GLY 759 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h72 n ASN 760 N 0.00 -4.61 -0.12 1.61 5.15 -1.26 -2.12 115.26 113.92 3h72 n ASN 760 Ca 0.00 -0.63 -0.02 0.00 -0.60 0.00 0.00 54.58 53.33 3h72 n ASN 760 Cb 0.00 -4.75 -0.01 0.00 -0.53 0.00 0.00 39.78 34.49 3h72 n ASN 760 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h72 n GLY 761 N -1.71 0.46 3.60 8.20 0.00 -1.26 -5.00 105.19 109.47 3h72 n GLY 761 Ca -0.08 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 3h72 n GLY 761 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 762 N -1.09 2.21 0.05 1.61 2.02 -0.90 -2.12 118.70 120.48 3h72 s GLU 762 Ca 0.00 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 53.96 3h72 s GLU 762 Cb 0.00 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 3h72 s GLU 762 CO 0.00 0.50 -0.05 0.71 0.02 0.00 0.00 175.26 176.43 3h72 s TYR 763 N -1.34 0.58 0.15 1.61 2.02 0.25 -0.63 117.35 119.99 3h72 s TYR 763 Ca 0.23 -0.72 0.08 0.00 -0.37 0.00 0.00 57.07 56.29 3h72 s TYR 763 Cb -0.11 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 3h72 s TYR 763 CO 0.15 -0.19 -0.17 0.20 -1.57 0.00 0.00 175.55 173.97 3h72 s GLY 764 N -2.15 1.32 -0.08 0.71 0.00 0.69 -1.28 107.32 106.54 3h72 s GLY 764 Ca -0.03 -1.44 -0.05 0.00 0.00 0.00 0.00 44.72 43.20 3h72 s GLY 764 CO -0.03 -1.49 0.19 -1.50 0.00 0.00 0.00 173.10 170.27 3h72 s ILE 765 N -2.03 -0.03 -0.18 0.90 2.07 -0.64 -1.52 121.20 119.77 3h72 s ILE 765 Ca 0.14 0.13 -0.04 0.00 -1.41 0.00 0.00 60.65 59.47 3h72 s ILE 765 Cb -0.06 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 3h72 s ILE 765 CO 0.06 0.05 -0.04 -0.22 -1.91 0.00 0.00 174.94 172.88 3h72 s LEU 766 N 0.96 3.10 0.13 8.50 2.96 -0.48 -1.99 118.68 131.86 3h72 s LEU 766 Ca -0.07 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 3h72 s LEU 766 Cb -0.09 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3h72 s LEU 766 CO -0.06 0.09 0.22 -0.72 -1.32 0.00 0.00 176.35 174.56 3h72 s TYR 767 N 0.81 0.38 -0.08 5.38 1.13 0.13 -0.56 117.35 124.55 3h72 s TYR 767 Ca -0.01 -0.77 -0.21 0.00 -1.41 0.00 0.00 57.07 54.66 3h72 s TYR 767 Cb -0.15 -0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 3h72 s TYR 767 CO 0.02 -0.63 0.62 -1.21 -2.51 0.00 0.00 175.55 171.84 3h72 s GLU 768 N -3.94 4.40 0.01 -3.49 2.02 0.10 -1.08 118.70 116.72 3h72 s GLU 768 Ca 0.14 0.72 -0.28 0.00 0.02 0.00 0.00 54.97 55.57 3h72 s GLU 768 Cb 0.04 -3.44 0.08 0.00 0.10 0.00 0.00 34.13 30.92 3h72 s GLU 768 CO -0.04 0.12 0.74 -1.58 0.02 0.00 0.00 175.26 174.52 3h72 s HIS 769 N 0.67 -0.52 0.04 1.61 2.46 -0.92 -2.13 115.29 116.50 3h72 s HIS 769 Ca 0.33 0.61 -0.05 0.00 0.47 0.00 0.00 55.06 56.42 3h72 s HIS 769 Cb -0.17 0.49 -0.01 0.00 -0.13 0.00 0.00 32.58 32.76 3h72 s HIS 769 CO 0.15 -0.64 0.09 0.95 -2.47 0.00 0.00 174.74 172.83 3h72 s THR 770 N -2.42 0.14 -0.08 0.89 -4.23 -1.26 -1.97 115.64 106.72 3h72 s THR 770 Ca -0.02 -1.16 -0.30 0.00 -1.18 0.00 0.00 61.69 59.02 3h72 s THR 770 Cb -0.01 -0.98 0.12 0.00 1.34 0.00 0.00 72.50 72.97 3h72 s THR 770 CO -0.03 -0.64 0.98 -1.83 -0.54 0.00 0.00 174.62 172.56 3h72 s GLU 771 N -2.81 0.66 -1.47 3.99 -1.05 -1.26 -4.30 118.70 112.46 3h72 s GLU 771 Ca -0.03 -0.17 -0.11 0.00 -0.15 0.00 0.00 54.97 54.51 3h72 s GLU 771 Cb 0.00 0.31 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 3h72 s GLU 771 CO -0.06 -0.27 0.95 1.17 0.95 0.00 0.00 175.26 178.01 3h72 n LYS 772 N -0.00 -5.69 -0.95 -4.83 3.00 -1.26 -2.34 118.16 106.10 3h72 n LYS 772 Ca -0.07 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 3h72 n LYS 772 Cb 0.60 -5.48 0.00 0.00 0.00 0.00 0.00 35.03 30.15 3h72 n LYS 772 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3h72 n GLY 773 N -1.70 0.66 3.77 3.14 0.00 -1.26 -4.87 105.19 104.93 3h72 n GLY 773 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3h72 n GLY 773 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h72 s GLN 774 N -0.05 4.25 0.57 1.61 -0.21 -0.99 0.15 119.66 124.99 3h72 s GLN 774 Ca 0.00 2.37 -0.18 0.00 0.02 0.00 0.00 55.36 57.56 3h72 s GLN 774 Cb 0.00 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 3h72 s GLN 774 CO 0.00 -0.35 1.11 -0.80 -2.12 0.00 0.00 175.29 173.14 3h72 s ASN 775 N -0.25 5.60 -0.25 5.90 0.02 0.33 -4.66 114.94 121.63 3h72 s ASN 775 Ca 0.52 2.09 -0.29 0.00 -1.02 0.00 0.00 52.86 54.16 3h72 s ASN 775 Cb -0.43 -2.57 -0.02 0.00 0.02 0.00 0.00 41.25 38.26 3h72 s ASN 775 CO 0.56 -1.30 1.49 0.00 0.02 0.00 0.00 177.10 177.87 3h72 s ALA 776 N -1.98 3.31 0.28 0.60 0.00 -1.26 -3.85 121.76 118.87 3h72 s ALA 776 Ca 0.70 0.33 0.03 0.00 0.00 0.00 0.00 51.96 53.02 3h72 s ALA 776 Cb -0.22 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 3h72 s ALA 776 CO 0.31 -1.87 0.19 0.71 0.00 0.00 0.00 175.76 175.10 3h72 s TYR 777 N 4.85 1.52 -0.14 0.00 2.02 -0.23 -4.29 117.35 121.08 3h72 s TYR 777 Ca 0.65 -1.48 -0.02 0.00 -0.37 0.00 0.00 57.07 55.85 3h72 s TYR 777 Cb -0.22 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 3h72 s TYR 777 CO 0.27 -0.68 -0.06 0.99 -1.57 0.00 0.00 175.55 174.50 3h72 s THR 778 N -3.72 3.73 -0.27 -0.71 2.01 -0.83 -2.80 115.64 113.05 3h72 s THR 778 Ca 0.38 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 3h72 s THR 778 Cb 0.05 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 3h72 s THR 778 CO 0.19 0.52 0.27 -0.76 -0.69 0.00 0.00 174.62 174.15 3h72 s LEU 779 N 0.15 4.03 0.26 4.42 1.02 -0.19 -2.17 118.68 126.19 3h72 s LEU 779 Ca -0.02 0.13 0.11 0.00 0.02 0.00 0.00 54.13 54.36 3h72 s LEU 779 Cb -0.14 -2.26 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 3h72 s LEU 779 CO 0.03 -0.11 -0.15 -0.44 0.02 0.00 0.00 176.35 175.70 3h72 s SER 780 N 1.70 3.85 0.09 2.29 0.01 -0.24 -0.32 113.70 121.09 3h72 s SER 780 Ca 0.11 -0.89 0.10 0.00 1.31 0.00 0.00 55.95 56.57 3h72 s SER 780 Cb -0.16 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 3h72 s SER 780 CO 0.10 0.04 -0.26 0.12 0.41 0.00 0.00 173.24 173.65 3h72 s PHE 781 N -2.34 2.28 0.00 2.43 5.36 0.11 -0.69 117.98 125.13 3h72 s PHE 781 Ca 0.29 -0.40 -0.09 0.00 -0.96 0.00 0.00 56.93 55.78 3h72 s PHE 781 Cb -0.06 -1.30 0.01 0.00 -0.34 0.00 0.00 43.02 41.33 3h72 s PHE 781 CO 0.16 0.23 0.17 1.03 -1.46 0.00 0.00 175.22 175.35 3h72 s ARG 782 N -1.66 0.54 -0.04 10.12 0.52 -0.84 -1.89 118.95 125.71 3h72 s ARG 782 Ca 0.13 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.01 3h72 s ARG 782 Cb -0.10 0.23 -0.01 0.00 0.52 0.00 0.00 34.95 35.58 3h72 s ARG 782 CO 0.04 -0.14 -0.24 0.21 0.02 0.00 0.00 175.30 175.19 3h72 s LYS 783 N -1.51 2.22 0.10 3.54 2.20 -1.26 -1.62 119.74 123.41 3h72 s LYS 783 Ca -0.14 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 54.61 3h72 s LYS 783 Cb -0.06 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.22 3h72 s LYS 783 CO 0.01 0.43 0.02 -0.59 -0.36 0.00 0.00 175.35 174.86 3h72 s PHE 784 N -0.32 0.73 0.37 4.03 -0.71 -0.41 -0.91 117.98 120.76 3h72 s PHE 784 Ca 0.02 -1.15 0.02 0.00 -1.04 0.00 0.00 56.93 54.78 3h72 s PHE 784 Cb -0.12 -0.45 0.02 0.00 -1.21 0.00 0.00 43.02 41.26 3h72 s PHE 784 CO 0.02 -0.45 0.17 0.27 -1.34 0.00 0.00 175.22 173.89 3h72 n ASN 785 N -0.01 2.51 -0.29 1.98 2.04 -1.01 -0.58 115.26 119.89 3h72 n ASN 785 Ca -0.09 -2.39 -0.01 0.00 -0.44 0.00 0.00 54.58 51.65 3h72 n ASN 785 Cb 0.62 0.08 0.18 0.00 -2.53 0.00 0.00 39.78 38.13 3h72 n ASN 785 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3h72 h TRP 786 N 0.84 1.10 -0.82 -2.53 2.91 -1.79 -2.50 115.95 113.15 3h72 h TRP 786 Ca -0.26 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.75 3h72 h TRP 786 Cb 0.87 -0.37 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 3h72 h TRP 786 CO 0.00 0.70 0.39 -0.44 -1.03 0.00 0.00 178.44 178.07 3h72 h ASP 787 N 1.17 1.07 -0.68 2.65 3.32 -1.89 0.24 116.42 122.29 3h72 h ASP 787 Ca 0.31 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 3h72 h ASP 787 Cb -0.11 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.14 3h72 h ASP 787 CO -0.07 0.90 0.20 0.15 -1.72 0.00 0.00 179.24 178.70 3h72 h PHE 788 N 1.17 1.12 -0.17 4.55 3.57 -1.72 -1.80 116.94 123.65 3h72 h PHE 788 Ca 0.28 -0.12 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 3h72 h PHE 788 Cb 0.12 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3h72 h PHE 788 CO 0.01 0.90 -0.67 1.25 -2.23 0.00 0.00 178.31 177.58 3h72 h LEU 789 N 1.01 0.75 0.00 0.59 5.85 -0.98 -3.36 115.31 119.17 3h72 h LEU 789 Ca 0.22 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3h72 h LEU 789 Cb 0.33 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3h72 h LEU 789 CO -0.00 1.22 -0.95 -1.54 -0.34 0.00 0.00 178.44 176.82 3h72 n SER 790 N -3.93 0.89 -4.59 1.25 3.41 0.77 -4.79 113.62 106.64 3h72 n SER 790 Ca -0.05 -0.92 -0.28 0.00 -0.26 0.00 0.00 58.87 57.36 3h72 n SER 790 Cb 0.68 1.04 -0.09 0.00 -0.26 0.00 0.00 64.21 65.58 3h72 n SER 790 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h72 s LYS 791 N -2.85 2.15 0.67 4.33 1.02 -0.68 -4.97 119.74 119.40 3h72 s LYS 791 Ca 0.07 -1.13 -0.17 0.00 0.02 0.00 0.00 55.97 54.76 3h72 s LYS 791 Cb 0.15 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 3h72 s LYS 791 CO 0.80 0.47 1.27 -0.51 -0.92 0.00 0.00 175.35 176.46 3h72 s ASP 792 N -2.56 4.50 0.00 2.83 1.01 -1.26 -4.83 116.67 116.36 3h72 s ASP 792 Ca 0.24 2.57 0.20 0.00 0.71 0.00 0.00 52.55 56.26 3h72 s ASP 792 Cb -0.10 -2.61 0.16 0.00 1.01 0.00 0.00 42.92 41.37 3h72 s ASP 792 CO 0.15 -2.07 1.12 0.18 0.21 0.00 0.00 175.17 174.76