#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h71 n ALA 321 N 0.00 0.76 -3.67 4.61 0.00 -1.26 -4.72 120.51 116.22 3h71 n ALA 321 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.72 3h71 n ALA 321 Cb 0.00 -2.32 -0.16 0.00 0.00 0.00 0.00 19.45 16.97 3h71 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h71 s ALA 322 N 1.56 0.03 -0.15 0.00 0.00 -1.26 -4.89 121.76 117.05 3h71 s ALA 322 Ca 0.83 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 3h71 s ALA 322 Cb -0.75 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 22.19 3h71 s ALA 322 CO 0.43 -0.10 0.17 -1.17 0.00 0.00 0.00 175.76 175.09 3h71 s LEU 323 N 0.98 -0.00 0.81 0.00 2.96 -1.26 -2.39 118.68 119.78 3h71 s LEU 323 Ca -0.08 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.65 3h71 s LEU 323 Cb -0.11 0.21 0.08 0.00 0.50 0.00 0.00 46.19 46.86 3h71 s LEU 323 CO -0.03 -0.30 1.10 0.42 -1.32 0.00 0.00 176.35 176.22 3h71 s THR 324 N 2.27 3.09 0.66 3.68 -4.23 -0.02 -4.98 115.64 116.11 3h71 s THR 324 Ca 0.04 0.35 -0.15 0.00 -1.18 0.00 0.00 61.69 60.76 3h71 s THR 324 Cb -0.14 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3h71 s THR 324 CO -0.09 -0.46 1.10 -1.61 -0.54 0.00 0.00 174.62 173.02 3h71 s GLU 325 N -4.89 2.82 0.32 3.99 2.02 -1.26 -4.62 118.70 117.08 3h71 s GLU 325 Ca 0.62 1.34 -0.28 0.00 0.02 0.00 0.00 54.97 56.67 3h71 s GLU 325 Cb -0.18 -1.96 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 3h71 s GLU 325 CO 0.56 -1.22 1.13 -1.59 0.02 0.00 0.00 175.26 174.16 3h71 s LYS 326 N -4.19 4.47 -0.11 1.61 -2.85 -1.26 -4.72 119.74 112.70 3h71 s LYS 326 Ca 0.66 1.83 0.04 0.00 -1.00 0.00 0.00 55.97 57.49 3h71 s LYS 326 Cb -0.19 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.55 3h71 s LYS 326 CO 0.42 0.05 -0.23 0.99 0.10 0.00 0.00 175.35 176.69 3h71 s THR 327 N -1.25 2.03 -0.22 3.79 2.01 -0.30 -4.92 115.64 116.78 3h71 s THR 327 Ca 0.48 -1.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.23 3h71 s THR 327 Cb -0.32 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 3h71 s THR 327 CO 0.41 0.55 0.85 -1.81 -0.69 0.00 0.00 174.62 173.93 3h71 s ASP 328 N 0.44 6.90 -0.21 3.53 1.01 -1.26 0.66 116.67 127.74 3h71 s ASP 328 Ca -0.16 1.11 -0.10 0.00 0.71 0.00 0.00 52.55 54.11 3h71 s ASP 328 Cb -0.17 -2.45 -0.19 0.00 1.01 0.00 0.00 42.92 41.11 3h71 s ASP 328 CO 0.07 -0.50 0.04 -0.38 0.21 0.00 0.00 175.17 174.61 3h71 n ILE 329 N 5.12 1.60 -3.94 0.77 2.08 0.22 -4.84 119.36 120.37 3h71 n ILE 329 Ca 0.06 -0.41 -0.30 0.00 0.56 0.00 0.00 62.75 62.66 3h71 n ILE 329 Cb 0.48 -1.78 -0.16 0.00 -0.75 0.00 0.00 39.64 37.43 3h71 n ILE 329 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3h71 s PHE 330 N -2.49 2.14 -0.22 1.39 0.08 -0.92 -5.01 117.98 112.95 3h71 s PHE 330 Ca -0.30 -1.46 -0.13 0.00 0.12 0.00 0.00 56.93 55.16 3h71 s PHE 330 Cb 0.09 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.99 3h71 s PHE 330 CO 0.63 -0.71 0.26 -1.21 -0.10 0.00 0.00 175.22 174.08 3h71 s GLU 331 N 1.48 4.11 0.65 0.44 2.02 -1.26 -0.95 118.70 125.20 3h71 s GLU 331 Ca -0.02 -0.08 -0.06 0.00 0.02 0.00 0.00 54.97 54.83 3h71 s GLU 331 Cb -0.17 -3.54 0.04 0.00 0.10 0.00 0.00 34.13 30.56 3h71 s GLU 331 CO -0.07 0.02 0.96 -1.54 0.02 0.00 0.00 175.26 174.65 3h71 s SER 332 N 1.04 5.17 0.88 -0.19 1.04 -1.26 -4.86 113.70 115.52 3h71 s SER 332 Ca 0.12 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.13 3h71 s SER 332 Cb -0.14 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.60 3h71 s SER 332 CO 0.06 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.53 3h71 n GLY 333 N -2.77 -1.15 3.11 7.32 0.00 -0.61 -4.74 105.19 106.35 3h71 n GLY 333 Ca 0.07 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 3h71 n GLY 333 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h71 s ARG 334 N -2.63 0.68 -1.25 1.61 1.70 -1.20 -0.60 118.95 117.26 3h71 s ARG 334 Ca 0.00 -1.14 -0.04 0.00 -0.47 0.00 0.00 55.73 54.08 3h71 s ARG 334 Cb 0.00 -0.08 0.03 0.00 -0.57 0.00 0.00 34.95 34.33 3h71 s ARG 334 CO 0.00 -0.03 0.27 0.09 -1.08 0.00 0.00 175.30 174.55 3h71 n ASN 335 N 0.40 -4.27 0.00 -2.89 4.13 -0.33 -0.54 115.26 111.77 3h71 n ASN 335 Ca -0.16 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.00 3h71 n ASN 335 Cb 0.59 -3.55 0.00 0.00 -1.54 0.00 0.00 39.78 35.28 3h71 n ASN 335 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h71 n GLY 336 N -1.06 0.91 3.92 7.41 0.00 -1.26 -5.03 105.19 110.07 3h71 n GLY 336 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3h71 n GLY 336 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 337 N -0.01 3.56 0.67 1.61 1.02 0.30 -5.03 119.74 121.86 3h71 s LYS 337 Ca 0.00 -0.04 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 3h71 s LYS 337 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 3h71 s LYS 337 CO 0.00 0.06 1.07 -2.14 -0.92 0.00 0.00 175.35 173.42 3h71 s PRO 338 N -4.20 2.92 0.00 -1.68 0.02 -1.26 -3.24 135.00 127.55 3h71 s PRO 338 Ca 0.44 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.61 3h71 s PRO 338 Cb -0.10 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3h71 s PRO 338 CO 0.37 -1.13 0.00 0.27 -0.33 0.00 0.00 177.00 176.18 3h71 n ASN 339 N -2.72 0.00 0.30 2.53 2.04 0.15 -4.64 115.26 112.92 3h71 n ASN 339 Ca 0.09 -0.74 0.18 0.00 -0.44 0.00 0.00 54.58 53.67 3h71 n ASN 339 Cb 0.53 0.00 1.01 0.00 -2.53 0.00 0.00 39.78 38.79 3h71 n ASN 339 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3h71 h LYS 340 N 0.00 0.00 -0.62 -3.83 2.10 -1.90 -1.01 116.57 111.31 3h71 h LYS 340 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h71 h LYS 340 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3h71 h LYS 340 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3h71 n ASP 341 N -3.52 4.06 -0.07 7.07 8.00 -1.26 -4.93 116.55 125.91 3h71 n ASP 341 Ca -0.02 -2.20 -0.01 0.00 0.71 0.00 0.00 54.79 53.27 3h71 n ASP 341 Cb 0.13 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3h71 n ASP 341 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h71 n GLY 342 N 1.17 0.47 3.47 0.44 0.00 -0.38 -5.03 105.19 105.33 3h71 n GLY 342 Ca 0.23 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3h71 n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h71 s ILE 343 N -2.02 3.93 0.05 -0.61 1.01 -1.26 -4.69 121.20 117.62 3h71 s ILE 343 Ca 0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 3h71 s ILE 343 Cb 0.00 -2.76 -0.32 0.00 0.01 0.00 0.00 42.46 39.39 3h71 s ILE 343 CO 0.00 0.45 1.07 0.11 0.00 0.00 0.00 174.94 176.57 3h71 h LYS 344 N 7.21 0.51 -4.12 2.79 1.57 -1.34 0.42 116.57 123.61 3h71 h LYS 344 Ca -0.34 -0.80 -0.15 0.00 -1.87 0.00 0.00 60.65 57.49 3h71 h LYS 344 Cb 1.18 0.29 -0.18 0.00 0.08 0.00 0.00 32.23 33.60 3h71 h LYS 344 CO 0.62 1.38 -0.69 0.45 -0.57 0.00 0.00 179.45 180.63 3h71 s SER 345 N -7.45 0.38 0.01 0.86 0.15 -0.17 -1.58 113.70 105.90 3h71 s SER 345 Ca -0.08 -0.75 0.03 0.00 0.70 0.00 0.00 55.95 55.86 3h71 s SER 345 Cb 0.05 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 3h71 s SER 345 CO 0.93 -0.45 -0.10 -0.31 1.20 0.00 0.00 173.24 174.51 3h71 s TYR 346 N -2.67 0.92 0.24 3.44 2.02 -1.17 -0.73 117.35 119.40 3h71 s TYR 346 Ca -0.05 -0.24 -0.18 0.00 -0.37 0.00 0.00 57.07 56.24 3h71 s TYR 346 Cb -0.01 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.99 3h71 s TYR 346 CO -0.05 -0.01 0.59 1.03 -1.57 0.00 0.00 175.55 175.53 3h71 s ARG 347 N -0.59 1.58 -0.62 -0.62 0.52 -0.95 -0.91 118.95 117.36 3h71 s ARG 347 Ca 0.02 -1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 54.21 3h71 s ARG 347 Cb -0.05 0.54 0.00 0.00 0.52 0.00 0.00 34.95 35.96 3h71 s ARG 347 CO 0.00 -0.69 0.60 -0.89 0.02 0.00 0.00 175.30 174.34 3h71 n ILE 348 N -0.40 -9.08 -2.31 1.52 2.08 -1.26 -0.18 119.36 109.73 3h71 n ILE 348 Ca -0.06 -0.12 -0.36 0.00 0.56 0.00 0.00 62.75 62.77 3h71 n ILE 348 Cb 0.61 -6.53 -0.01 0.00 -0.75 0.00 0.00 39.64 32.96 3h71 n ILE 348 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h71 s PRO 349 N -2.95 3.74 -0.03 0.38 0.04 -1.26 -4.07 135.00 130.85 3h71 s PRO 349 Ca 0.02 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 3h71 s PRO 349 Cb -0.01 -2.34 0.03 0.00 0.04 0.00 0.00 34.50 32.23 3h71 s PRO 349 CO 0.65 -0.55 0.05 0.00 0.04 0.00 0.00 177.00 177.20 3h71 s ALA 350 N -1.62 0.05 -0.09 8.56 0.00 -0.69 -4.17 121.76 123.81 3h71 s ALA 350 Ca 0.65 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3h71 s ALA 350 Cb -0.26 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.50 3h71 s ALA 350 CO 0.32 -0.20 -0.19 -1.17 0.00 0.00 0.00 175.76 174.52 3h71 s LEU 351 N 1.33 1.90 -0.05 0.00 2.96 -1.26 0.24 118.68 123.80 3h71 s LEU 351 Ca -0.06 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3h71 s LEU 351 Cb -0.13 -1.18 0.02 0.00 0.50 0.00 0.00 46.19 45.41 3h71 s LEU 351 CO -0.03 0.10 -0.04 -0.22 -1.32 0.00 0.00 176.35 174.83 3h71 s LEU 352 N 0.56 1.21 -0.34 -0.68 2.96 0.08 -4.73 118.68 117.74 3h71 s LEU 352 Ca -0.15 -0.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 3h71 s LEU 352 Cb -0.17 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 3h71 s LEU 352 CO 0.05 -0.08 0.34 -0.75 -1.32 0.00 0.00 176.35 174.60 3h71 s LYS 353 N 1.10 3.55 0.73 1.98 2.47 -1.26 0.02 119.74 128.33 3h71 s LYS 353 Ca -0.08 -0.45 -0.07 0.00 -1.56 0.00 0.00 55.97 53.81 3h71 s LYS 353 Cb -0.14 -3.80 0.08 0.00 -1.46 0.00 0.00 37.83 32.51 3h71 s LYS 353 CO -0.01 -0.51 1.04 0.95 0.16 0.00 0.00 175.35 176.98 3h71 s THR 354 N 1.97 2.24 0.58 3.43 -4.23 0.14 -4.92 115.64 114.84 3h71 s THR 354 Ca 0.11 -0.28 0.27 0.00 -1.18 0.00 0.00 61.69 60.61 3h71 s THR 354 Cb -0.17 -2.96 0.34 0.00 1.34 0.00 0.00 72.50 71.06 3h71 s THR 354 CO 0.11 0.00 2.20 -2.24 -0.54 0.00 0.00 174.62 174.16 3h71 h ASP 355 N -0.68 0.00 0.41 3.99 2.03 -1.95 0.90 116.42 121.12 3h71 h ASP 355 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 3h71 h ASP 355 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 3h71 h ASP 355 CO 0.56 0.00 -0.10 0.29 -1.03 0.00 0.00 179.24 178.97 3h71 n LYS 356 N -3.96 0.61 -0.20 4.15 5.02 -1.26 -4.89 118.16 117.63 3h71 n LYS 356 Ca -0.02 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 3h71 n LYS 356 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3h71 n LYS 356 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h71 n GLY 357 N 1.29 0.76 3.77 0.72 0.00 0.31 -5.05 105.19 106.99 3h71 n GLY 357 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3h71 n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h71 s THR 358 N -2.52 2.97 -0.20 2.61 2.01 -1.26 -4.63 115.64 114.63 3h71 s THR 358 Ca 0.00 0.73 -0.05 0.00 0.31 0.00 0.00 61.69 62.68 3h71 s THR 358 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3h71 s THR 358 CO 0.00 -0.01 0.01 -0.76 -0.69 0.00 0.00 174.62 173.17 3h71 s LEU 359 N -3.08 3.35 -0.21 4.42 1.43 -0.05 -0.69 118.68 123.85 3h71 s LEU 359 Ca 0.64 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3h71 s LEU 359 Cb -0.30 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3h71 s LEU 359 CO 0.36 0.08 -0.03 -0.63 0.23 0.00 0.00 176.35 176.36 3h71 s ILE 360 N 0.91 3.52 -0.28 -0.59 1.01 0.10 -0.79 121.20 125.08 3h71 s ILE 360 Ca 0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 3h71 s ILE 360 Cb -0.14 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3h71 s ILE 360 CO 0.02 0.43 0.05 0.00 0.00 0.00 0.00 174.94 175.44 3h71 s ALA 361 N 1.31 3.01 0.23 9.38 0.00 -0.30 -0.74 121.76 134.67 3h71 s ALA 361 Ca 0.04 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 50.67 3h71 s ALA 361 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3h71 s ALA 361 CO -0.01 -0.82 0.20 0.20 0.00 0.00 0.00 175.76 175.32 3h71 s GLY 362 N 1.49 1.45 0.07 0.00 0.00 0.14 -1.10 107.32 109.37 3h71 s GLY 362 Ca 0.03 -1.37 -0.27 0.00 0.00 0.00 0.00 44.72 43.11 3h71 s GLY 362 CO 0.01 -1.40 0.95 0.00 0.00 0.00 0.00 173.10 172.66 3h71 s ALA 363 N -2.06 -1.76 -0.15 3.20 0.00 -0.35 -1.70 121.76 118.94 3h71 s ALA 363 Ca 0.33 0.57 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 3h71 s ALA 363 Cb -0.08 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3h71 s ALA 363 CO 0.25 -0.88 0.71 -0.51 0.00 0.00 0.00 175.76 175.33 3h71 s ASP 364 N -2.73 6.85 -0.69 0.00 1.11 0.75 -2.13 116.67 119.82 3h71 s ASP 364 Ca 0.09 1.03 -0.15 0.00 0.18 0.00 0.00 52.55 53.70 3h71 s ASP 364 Cb -0.01 -2.40 0.18 0.00 1.07 0.00 0.00 42.92 41.76 3h71 s ASP 364 CO -0.03 -0.27 0.64 -0.70 1.18 0.00 0.00 175.17 175.99 3h71 s GLU 365 N 1.68 3.31 -0.78 8.23 2.12 0.48 -2.23 118.70 131.50 3h71 s GLU 365 Ca 0.34 -2.11 -0.18 0.00 0.36 0.00 0.00 54.97 53.38 3h71 s GLU 365 Cb -0.16 -4.36 0.14 0.00 0.26 0.00 0.00 34.13 30.01 3h71 s GLU 365 CO 0.13 -1.31 0.89 1.03 -0.54 0.00 0.00 175.26 175.46 3h71 s ARG 366 N 0.83 3.39 0.10 4.30 0.52 0.09 -1.57 118.95 126.61 3h71 s ARG 366 Ca 0.11 -1.75 -0.19 0.00 -0.52 0.00 0.00 55.73 53.39 3h71 s ARG 366 Cb -0.19 -4.55 -0.07 0.00 0.52 0.00 0.00 34.95 30.66 3h71 s ARG 366 CO -0.03 -1.58 1.59 -0.09 0.02 0.00 0.00 175.30 175.20 3h71 h ARG 367 N 8.72 0.42 0.00 3.54 2.43 -1.65 -0.43 114.38 127.41 3h71 h ARG 367 Ca -0.03 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 3h71 h ARG 367 Cb 1.05 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3h71 h ARG 367 CO 1.02 0.52 -0.80 -0.07 -1.51 0.00 0.00 179.97 179.12 3h71 h LEU 368 N 0.25 0.00 -7.94 3.80 3.38 -1.89 -1.63 115.31 111.28 3h71 h LEU 368 Ca 0.08 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.42 3h71 h LEU 368 Cb 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3h71 h LEU 368 CO 0.00 0.28 0.94 -1.38 0.09 0.00 0.00 178.44 178.36 3h71 s HIS 369 N -3.12 0.02 -2.07 1.13 -3.43 -1.26 -4.92 115.29 101.65 3h71 s HIS 369 Ca 0.01 -0.10 0.27 0.00 -0.80 0.00 0.00 55.06 54.44 3h71 s HIS 369 Cb 0.08 0.54 0.87 0.00 -1.43 0.00 0.00 32.58 32.64 3h71 s HIS 369 CO 0.76 -0.20 1.63 0.43 -2.00 0.00 0.00 174.74 175.37 3h71 n SER 370 N -1.02 1.24 -4.77 7.38 7.64 -1.26 -4.54 113.62 118.29 3h71 n SER 370 Ca 0.04 -1.15 -0.31 0.00 1.01 0.00 0.00 58.87 58.47 3h71 n SER 370 Cb 0.59 0.08 0.09 0.00 -1.01 0.00 0.00 64.21 63.96 3h71 n SER 370 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h71 s SER 371 N -2.29 4.45 0.00 6.43 0.01 -1.26 -4.90 113.70 116.14 3h71 s SER 371 Ca 0.30 1.67 -0.03 0.00 1.31 0.00 0.00 55.95 59.20 3h71 s SER 371 Cb 0.20 -2.40 -0.12 0.00 0.21 0.00 0.00 66.02 63.91 3h71 s SER 371 CO 0.44 -2.04 2.24 0.47 0.41 0.00 0.00 173.24 174.76 3h71 n ASP 372 N -3.52 3.74 -2.17 2.44 8.00 -1.26 -4.75 116.55 119.03 3h71 n ASP 372 Ca 0.08 -2.12 -0.01 0.00 0.71 0.00 0.00 54.79 53.45 3h71 n ASP 372 Cb 0.54 -0.93 0.01 0.00 -0.02 0.00 0.00 41.12 40.72 3h71 n ASP 372 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3h71 n TRP 373 N 2.28 -0.89 -1.48 1.24 2.14 -1.26 -4.44 117.44 115.02 3h71 n TRP 373 Ca 0.19 -0.60 0.00 0.00 2.07 0.00 0.00 57.50 59.16 3h71 n TRP 373 Cb 0.54 0.29 0.00 0.00 -0.81 0.00 0.00 31.31 31.34 3h71 n TRP 373 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3h71 n GLY 374 N -0.37 -0.83 3.51 -1.67 0.00 -1.25 -4.76 105.19 99.82 3h71 n GLY 374 Ca -0.01 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3h71 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h71 s ASP 375 N -4.00 6.23 -0.08 1.61 2.15 -1.26 -4.51 116.67 116.80 3h71 s ASP 375 Ca 0.00 -0.57 0.01 0.00 0.43 0.00 0.00 52.55 52.42 3h71 s ASP 375 Cb 0.00 -2.49 0.02 0.00 -0.30 0.00 0.00 42.92 40.15 3h71 s ASP 375 CO 0.00 -1.55 -0.09 -0.63 -0.17 0.00 0.00 175.17 172.73 3h71 s ILE 376 N 4.75 1.01 0.00 4.11 1.01 -1.26 -2.22 121.20 128.60 3h71 s ILE 376 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3h71 s ILE 376 Cb -0.12 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.37 3h71 s ILE 376 CO 0.15 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3h71 n GLY 377 N 4.34 1.46 0.00 6.18 0.00 -0.61 -4.03 105.19 112.53 3h71 n GLY 377 Ca -0.18 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3h71 n GLY 377 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h71 n VAL 379 N 0.00 0.00 -4.09 1.61 0.24 -0.91 -0.38 118.33 114.80 3h71 n VAL 379 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 3h71 n VAL 379 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 3h71 n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h71 s ILE 380 N -2.00 0.14 0.01 1.34 -5.25 -0.24 -1.21 121.20 113.99 3h71 s ILE 380 Ca 0.00 -1.77 0.02 0.00 -0.99 0.00 0.00 60.65 57.91 3h71 s ILE 380 Cb 0.00 -1.81 -0.01 0.00 2.95 0.00 0.00 42.46 43.59 3h71 s ILE 380 CO 0.00 -0.63 -0.07 -0.13 -1.79 0.00 0.00 174.94 172.32 3h71 s ARG 381 N -3.99 0.51 -0.10 0.37 0.52 -0.26 -0.23 118.95 115.78 3h71 s ARG 381 Ca 0.17 -0.38 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 3h71 s ARG 381 Cb 0.07 -0.44 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 3h71 s ARG 381 CO -0.03 0.11 -0.08 1.03 0.02 0.00 0.00 175.30 176.35 3h71 s ARG 382 N -0.56 3.06 -0.14 3.54 0.52 -1.26 -1.15 118.95 122.96 3h71 s ARG 382 Ca -0.01 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 3h71 s ARG 382 Cb -0.05 -2.65 0.01 0.00 0.52 0.00 0.00 34.95 32.78 3h71 s ARG 382 CO 0.00 0.48 -0.20 0.45 0.02 0.00 0.00 175.30 176.05 3h71 s SER 383 N -0.32 3.25 0.00 0.23 0.15 0.03 -0.53 113.70 116.51 3h71 s SER 383 Ca 0.04 -0.57 0.21 0.00 0.70 0.00 0.00 55.95 56.34 3h71 s SER 383 Cb -0.13 -1.48 0.27 0.00 -1.71 0.00 0.00 66.02 62.98 3h71 s SER 383 CO 0.02 0.08 1.26 -0.62 1.20 0.00 0.00 173.24 175.18 3h71 n GLU 384 N 4.06 2.17 -2.19 5.44 1.02 -1.26 -0.87 120.64 129.01 3h71 n GLU 384 Ca -0.20 -1.97 -0.21 0.00 -0.02 0.00 0.00 57.16 54.77 3h71 n GLU 384 Cb 0.52 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.52 3h71 n GLU 384 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h71 n ASP 385 N 1.27 4.38 -3.37 1.62 5.68 -1.26 -4.91 116.55 119.96 3h71 n ASP 385 Ca 0.15 -3.49 -0.24 0.00 -0.50 0.00 0.00 54.79 50.71 3h71 n ASP 385 Cb 0.55 -0.37 0.05 0.00 -1.14 0.00 0.00 41.12 40.20 3h71 n ASP 385 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3h71 n ASN 386 N -0.66 -5.85 0.00 -1.12 5.15 -1.26 -2.93 115.26 108.59 3h71 n ASN 386 Ca 0.38 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 3h71 n ASN 386 Cb 0.91 -4.68 0.00 0.00 -0.53 0.00 0.00 39.78 35.49 3h71 n ASN 386 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h71 n GLY 387 N -1.69 0.52 0.07 8.20 0.00 -1.26 -4.97 105.19 106.07 3h71 n GLY 387 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 3h71 n GLY 387 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h71 h LYS 388 N 4.31 0.09 -5.18 1.61 1.57 -1.94 -3.46 116.57 113.57 3h71 h LYS 388 Ca 0.00 -0.05 -0.36 0.00 -1.87 0.00 0.00 60.65 58.37 3h71 h LYS 388 Cb 0.00 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.14 3h71 h LYS 388 CO 0.00 0.54 -0.74 0.95 -0.57 0.00 0.00 179.45 179.63 3h71 s THR 389 N -4.30 1.15 0.01 -0.16 -4.23 -1.26 -5.10 115.64 101.75 3h71 s THR 389 Ca -0.15 -1.73 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 3h71 s THR 389 Cb 0.03 -1.50 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 3h71 s THR 389 CO 0.69 -0.52 -0.11 0.26 -0.54 0.00 0.00 174.62 174.41 3h71 s TRP 390 N -2.41 0.99 0.62 3.99 0.52 -1.26 -4.20 118.94 117.19 3h71 s TRP 390 Ca 0.08 -0.25 -0.11 0.00 0.02 0.00 0.00 56.10 55.85 3h71 s TRP 390 Cb -0.03 -0.62 0.15 0.00 -1.15 0.00 0.00 33.47 31.82 3h71 s TRP 390 CO 0.02 -0.01 0.71 0.41 0.02 0.00 0.00 176.95 178.10 3h71 n GLY 391 N 2.47 -1.88 3.80 0.98 0.00 0.31 -4.95 105.19 105.92 3h71 n GLY 391 Ca -0.15 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 3h71 n GLY 391 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h71 s ASP 392 N -3.56 5.09 0.39 1.61 1.01 -1.26 -4.55 116.67 115.40 3h71 s ASP 392 Ca 0.42 1.69 -0.27 0.00 0.71 0.00 0.00 52.55 55.10 3h71 s ASP 392 Cb -0.02 -2.50 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 3h71 s ASP 392 CO 0.31 -1.64 1.44 -0.13 0.21 0.00 0.00 175.17 175.36 3h71 s ARG 393 N -4.99 4.01 -0.18 8.23 0.52 -1.26 -4.60 118.95 120.68 3h71 s ARG 393 Ca 0.59 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 58.27 3h71 s ARG 393 Cb -0.15 -2.88 0.01 0.00 0.52 0.00 0.00 34.95 32.45 3h71 s ARG 393 CO 0.55 -0.57 -0.17 0.08 0.02 0.00 0.00 175.30 175.21 3h71 s VAL 394 N -1.15 2.35 -0.18 3.52 1.01 0.69 -4.96 120.40 121.67 3h71 s VAL 394 Ca 0.55 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3h71 s VAL 394 Cb -0.45 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3h71 s VAL 394 CO 0.59 0.52 0.60 -0.89 0.00 0.00 0.00 175.10 175.92 3h71 s THR 395 N 1.24 5.05 -0.15 3.92 2.01 -1.26 -1.08 115.64 125.37 3h71 s THR 395 Ca 0.03 1.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.91 3h71 s THR 395 Cb -0.14 -3.92 -0.25 0.00 0.01 0.00 0.00 72.50 68.21 3h71 s THR 395 CO -0.09 0.15 0.63 0.40 -0.69 0.00 0.00 174.62 175.02 3h71 h ILE 396 N 5.10 1.52 -2.58 1.82 2.04 -1.92 -3.42 117.51 120.07 3h71 h ILE 396 Ca -0.33 -2.32 -0.10 0.00 1.00 0.00 0.00 64.86 63.11 3h71 h ILE 396 Cb 1.15 3.06 -0.25 0.00 -0.74 0.00 0.00 36.82 40.04 3h71 h ILE 396 CO 0.76 0.54 -0.21 -0.89 0.00 0.00 0.00 178.15 178.36 3h71 s THR 397 N -2.28 -0.01 -0.32 -0.27 2.01 -1.26 -4.73 115.64 108.78 3h71 s THR 397 Ca -0.21 0.04 0.04 0.00 0.31 0.00 0.00 61.69 61.86 3h71 s THR 397 Cb -0.00 -0.66 0.17 0.00 0.01 0.00 0.00 72.50 72.02 3h71 s THR 397 CO 0.68 0.02 0.47 0.21 -0.69 0.00 0.00 174.62 175.30 3h71 s ASN 398 N 0.83 -0.11 0.48 3.53 3.84 -0.38 -4.51 114.94 118.62 3h71 s ASN 398 Ca -0.05 -0.51 -0.23 0.00 0.21 0.00 0.00 52.86 52.28 3h71 s ASN 398 Cb -0.05 1.30 -0.07 0.00 -0.55 0.00 0.00 41.25 41.88 3h71 s ASN 398 CO -0.07 -0.31 1.24 -0.76 -2.79 0.00 0.00 177.10 174.42 3h71 s LEU 399 N 2.34 3.98 0.53 3.21 1.43 -1.26 -3.84 118.68 125.07 3h71 s LEU 399 Ca 0.12 2.50 -0.17 0.00 -1.03 0.00 0.00 54.13 55.54 3h71 s LEU 399 Cb -0.11 -4.22 -0.06 0.00 0.03 0.00 0.00 46.19 41.83 3h71 s LEU 399 CO -0.23 -1.13 1.02 0.00 0.23 0.00 0.00 176.35 176.25 3h71 s ARG 400 N -2.72 3.68 0.73 1.70 1.70 -1.23 -4.85 118.95 117.97 3h71 s ARG 400 Ca 0.65 1.16 -0.11 0.00 -0.47 0.00 0.00 55.73 56.97 3h71 s ARG 400 Cb -0.34 -2.09 0.03 0.00 -0.57 0.00 0.00 34.95 31.99 3h71 s ARG 400 CO 0.41 -0.51 1.07 0.16 -1.08 0.00 0.00 175.30 175.35 3h71 s ASP 401 N -2.63 4.98 -0.54 -2.89 -4.77 -1.26 -4.32 116.67 105.23 3h71 s ASP 401 Ca 0.63 1.65 -0.25 0.00 -3.30 0.00 0.00 52.55 51.29 3h71 s ASP 401 Cb -0.14 -2.46 0.04 0.00 -1.09 0.00 0.00 42.92 39.27 3h71 s ASP 401 CO 0.30 -1.71 0.96 0.21 0.70 0.00 0.00 175.17 175.62 3h71 s ASN 402 N -3.67 6.37 0.25 2.11 3.84 -0.51 -4.89 114.94 118.44 3h71 s ASN 402 Ca 0.59 -0.25 0.17 0.00 0.21 0.00 0.00 52.86 53.58 3h71 s ASN 402 Cb -0.15 -2.45 0.90 0.00 -0.55 0.00 0.00 41.25 39.01 3h71 s ASN 402 CO 0.55 -1.22 1.52 -0.81 -2.79 0.00 0.00 177.10 174.35 3h71 n PRO 403 N 7.49 0.11 -0.05 0.43 -0.04 -1.26 -2.21 135.00 139.47 3h71 n PRO 403 Ca 0.03 0.60 0.07 0.00 -0.04 0.00 0.00 63.50 64.15 3h71 n PRO 403 Cb 0.48 -1.85 0.09 0.00 -0.04 0.00 0.00 33.50 32.17 3h71 n PRO 403 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h71 n LYS 404 N -2.08 1.31 -1.74 0.54 4.76 -1.26 -5.01 118.16 114.67 3h71 n LYS 404 Ca -0.01 -1.49 -0.42 0.00 -2.87 0.00 0.00 58.31 53.52 3h71 n LYS 404 Cb 0.03 -1.27 -0.01 0.00 -1.84 0.00 0.00 35.03 31.95 3h71 n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h71 n ALA 405 N 0.74 2.09 0.06 7.82 0.00 -0.94 -4.79 120.51 125.49 3h71 n ALA 405 Ca 0.09 0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.86 3h71 n ALA 405 Cb 0.36 -2.38 0.22 0.00 0.00 0.00 0.00 19.45 17.65 3h71 n ALA 405 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h71 h SER 406 N 3.41 0.37 -3.71 0.00 0.02 -1.94 -3.38 113.55 108.32 3h71 h SER 406 Ca -0.48 -0.13 -0.64 0.00 -0.84 0.00 0.00 61.79 59.69 3h71 h SER 406 Cb 1.25 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.29 3h71 h SER 406 CO 0.68 0.67 -0.71 -0.62 -1.14 0.00 0.00 176.83 175.72 3h71 s ASP 407 N -6.85 4.49 0.57 3.07 -1.08 -1.26 -4.99 116.67 110.62 3h71 s ASP 407 Ca -0.06 -2.26 0.27 0.00 -0.52 0.00 0.00 52.55 49.99 3h71 s ASP 407 Cb 0.14 -1.47 1.50 0.00 -1.46 0.00 0.00 42.92 41.63 3h71 s ASP 407 CO 0.78 -0.35 1.99 -0.65 0.52 0.00 0.00 175.17 177.46 3h71 h PRO 408 N 7.43 0.00 0.00 4.34 0.11 -1.93 -1.41 132.00 140.54 3h71 h PRO 408 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3h71 h PRO 408 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3h71 h PRO 408 CO 0.54 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 178.98 3h71 h SER 409 N 0.00 0.00 0.00 -2.05 4.64 -1.97 -1.47 113.55 112.70 3h71 h SER 409 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 3h71 h SER 409 Cb 0.92 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 3h71 h SER 409 CO -0.00 0.01 -0.35 2.30 -0.87 0.00 0.00 176.83 177.92 3h71 n ILE 410 N -3.65 1.03 -0.54 0.95 -5.35 -0.64 -3.85 119.36 107.31 3h71 n ILE 410 Ca -0.03 -1.42 0.04 0.00 -0.27 0.00 0.00 62.75 61.07 3h71 n ILE 410 Cb 0.10 0.16 0.32 0.00 -1.74 0.00 0.00 39.64 38.48 3h71 n ILE 410 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h71 n GLY 411 N -0.67 2.77 3.13 3.28 0.00 -0.55 -3.02 105.19 110.12 3h71 n GLY 411 Ca 0.09 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 3h71 n GLY 411 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h71 s SER 412 N -0.63 1.43 0.54 1.61 0.01 -1.26 -1.43 113.70 113.97 3h71 s SER 412 Ca 0.44 -0.52 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 3h71 s SER 412 Cb 0.34 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 3h71 s SER 412 CO 0.13 -0.06 1.31 -2.84 0.41 0.00 0.00 173.24 172.19 3h71 s PRO 413 N -1.41 3.20 0.00 12.44 0.02 -1.26 -3.70 135.00 144.28 3h71 s PRO 413 Ca -0.02 2.11 0.06 0.00 0.02 0.00 0.00 61.00 63.17 3h71 s PRO 413 Cb -0.09 -2.23 -0.03 0.00 0.02 0.00 0.00 34.50 32.17 3h71 s PRO 413 CO 0.01 -1.11 -0.18 0.08 -0.33 0.00 0.00 177.00 175.48 3h71 s VAL 414 N -1.37 2.77 -0.05 3.83 1.01 0.14 -4.69 120.40 122.03 3h71 s VAL 414 Ca 0.71 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3h71 s VAL 414 Cb -0.37 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3h71 s VAL 414 CO 0.44 0.46 -0.17 0.20 0.00 0.00 0.00 175.10 176.03 3h71 s ASN 415 N -1.07 2.17 -0.11 3.32 0.01 -1.26 -0.40 114.94 117.60 3h71 s ASN 415 Ca 0.13 -0.36 -0.23 0.00 -0.71 0.00 0.00 52.86 51.68 3h71 s ASN 415 Cb -0.10 -0.72 0.05 0.00 0.41 0.00 0.00 41.25 40.89 3h71 s ASN 415 CO 0.03 0.13 0.56 -0.51 -1.51 0.00 0.00 177.10 175.80 3h71 s ILE 416 N 0.19 0.01 0.48 0.60 2.07 -0.90 -4.63 121.20 119.01 3h71 s ILE 416 Ca -0.07 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3h71 s ILE 416 Cb -0.13 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.62 3h71 s ILE 416 CO 0.03 -0.06 0.00 0.47 -1.91 0.00 0.00 174.94 173.48 3h71 n ASP 417 N 1.74 -6.38 -3.62 4.50 8.00 -1.26 -1.16 116.55 118.37 3h71 n ASP 417 Ca -0.17 1.32 -0.03 0.00 0.71 0.00 0.00 54.79 56.61 3h71 n ASP 417 Cb 0.56 -3.82 -0.06 0.00 -0.02 0.00 0.00 41.12 37.78 3h71 n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h71 s VAL 419 N -4.60 -0.14 0.08 2.53 1.01 0.36 -2.94 120.40 116.70 3h71 s VAL 419 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3h71 s VAL 419 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3h71 s VAL 419 CO 0.00 0.00 0.03 -0.76 0.00 0.00 0.00 175.10 174.37 3h71 s LEU 420 N 1.69 3.60 -0.21 3.92 1.43 -0.47 -1.25 118.68 127.39 3h71 s LEU 420 Ca -0.08 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 3h71 s LEU 420 Cb -0.05 -2.29 0.14 0.00 0.03 0.00 0.00 46.19 44.02 3h71 s LEU 420 CO -0.17 0.19 1.08 0.54 0.23 0.00 0.00 176.35 178.22 3h71 s VAL 421 N -1.32 0.00 -0.03 -1.59 0.11 -0.86 -0.64 120.40 116.08 3h71 s VAL 421 Ca 0.26 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 3h71 s VAL 421 Cb -0.12 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 3h71 s VAL 421 CO 0.19 0.00 -0.25 -1.58 -3.33 0.00 0.00 175.10 170.13 3h71 s GLN 422 N -0.72 2.14 -0.20 1.54 0.74 -1.26 -0.02 119.66 121.87 3h71 s GLN 422 Ca 0.01 -0.89 -0.29 0.00 0.05 0.00 0.00 55.36 54.25 3h71 s GLN 422 Cb -0.02 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 32.10 3h71 s GLN 422 CO -0.03 0.50 1.02 0.34 -0.55 0.00 0.00 175.29 176.57 3h71 s ASP 423 N -0.48 7.12 0.53 6.67 -1.08 -0.39 -4.83 116.67 124.20 3h71 s ASP 423 Ca 0.06 1.39 0.35 0.00 -0.52 0.00 0.00 52.55 53.84 3h71 s ASP 423 Cb -0.11 -2.54 1.66 0.00 -1.46 0.00 0.00 42.92 40.48 3h71 s ASP 423 CO 0.00 -0.60 2.05 1.55 0.52 0.00 0.00 175.17 178.69 3h71 h PRO 424 N 7.37 0.00 0.00 4.34 0.13 -1.95 0.13 132.00 142.02 3h71 h PRO 424 Ca -0.22 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.69 3h71 h PRO 424 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3h71 h PRO 424 CO 0.94 0.00 -1.34 -1.91 -0.23 0.00 0.00 178.00 175.46 3h71 n GLU 425 N -2.89 0.54 0.14 0.86 2.13 -1.26 -4.48 120.64 115.68 3h71 n GLU 425 Ca -0.01 0.49 0.12 0.00 0.66 0.00 0.00 57.16 58.42 3h71 n GLU 425 Cb 0.19 -1.67 0.15 0.00 0.27 0.00 0.00 31.44 30.38 3h71 n GLU 425 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 3h71 h THR 426 N -1.00 0.00 0.00 6.31 1.35 -1.99 -3.47 112.91 114.11 3h71 h THR 426 Ca -0.33 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3h71 h THR 426 Cb 1.18 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3h71 h THR 426 CO -0.20 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.36 3h71 n LYS 427 N -2.68 -0.41 -2.18 4.72 4.76 0.45 -4.98 118.16 117.84 3h71 n LYS 427 Ca 0.03 0.10 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 3h71 n LYS 427 Cb 0.51 -3.61 -0.03 0.00 -1.84 0.00 0.00 35.03 30.06 3h71 n LYS 427 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3h71 s ARG 428 N -0.64 4.37 -0.17 1.97 3.52 -1.25 -4.72 118.95 122.03 3h71 s ARG 428 Ca 0.00 2.10 -0.07 0.00 -0.13 0.00 0.00 55.73 57.63 3h71 s ARG 428 Cb 0.00 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3h71 s ARG 428 CO 0.00 -0.26 0.06 0.42 -0.81 0.00 0.00 175.30 174.70 3h71 s ILE 429 N -0.04 4.76 0.01 4.11 1.01 -0.07 -1.27 121.20 129.72 3h71 s ILE 429 Ca 0.56 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 61.20 3h71 s ILE 429 Cb -0.37 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3h71 s ILE 429 CO 0.40 0.49 -0.08 -0.36 0.00 0.00 0.00 174.94 175.39 3h71 s PHE 430 N 0.13 2.84 -0.22 3.97 0.08 0.97 -0.74 117.98 125.01 3h71 s PHE 430 Ca 0.05 -0.07 -0.00 0.00 0.12 0.00 0.00 56.93 57.02 3h71 s PHE 430 Cb -0.12 -1.58 0.06 0.00 -0.57 0.00 0.00 43.02 40.81 3h71 s PHE 430 CO 0.01 0.36 -0.03 -1.54 -0.10 0.00 0.00 175.22 173.92 3h71 s SER 431 N -1.47 3.51 -0.14 1.36 1.04 -0.10 -2.04 113.70 115.86 3h71 s SER 431 Ca 0.17 -1.03 -0.00 0.00 0.48 0.00 0.00 55.95 55.56 3h71 s SER 431 Cb -0.11 -1.01 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 3h71 s SER 431 CO 0.08 -0.25 -0.13 -0.63 0.98 0.00 0.00 173.24 173.30 3h71 s ILE 432 N 1.53 3.07 0.19 -1.02 1.01 -0.38 -1.23 121.20 124.37 3h71 s ILE 432 Ca -0.04 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 3h71 s ILE 432 Cb -0.18 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 3h71 s ILE 432 CO -0.07 0.52 0.29 -0.72 0.00 0.00 0.00 174.94 174.96 3h71 s TYR 433 N 0.41 0.54 0.00 3.97 -0.85 -0.33 -0.48 117.35 120.60 3h71 s TYR 433 Ca -0.10 -0.88 0.00 0.00 -0.52 0.00 0.00 57.07 55.58 3h71 s TYR 433 Cb -0.16 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.08 3h71 s TYR 433 CO 0.05 -0.76 0.00 -0.25 -1.52 0.00 0.00 175.55 173.07 3h71 n ASP 434 N -0.26 -0.09 0.00 -0.18 8.00 -0.30 -0.59 116.55 123.14 3h71 n ASP 434 Ca -0.04 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3h71 n ASP 434 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3h71 n ASP 434 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h71 n PHE 436 N -1.48 0.00 -1.27 1.24 3.72 0.46 -2.13 117.46 118.01 3h71 n PHE 436 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 3h71 n PHE 436 Cb 0.00 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.74 3h71 n PHE 436 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3h71 s PRO 437 N -1.13 -0.18 -0.07 -1.08 0.04 -1.26 0.26 135.00 131.59 3h71 s PRO 437 Ca 0.00 0.12 -0.40 0.00 0.04 0.00 0.00 61.00 60.76 3h71 s PRO 437 Cb 0.00 -1.70 -0.19 0.00 0.04 0.00 0.00 34.50 32.65 3h71 s PRO 437 CO 0.00 -3.06 1.22 -1.91 0.04 0.00 0.00 177.00 173.29 3h71 n GLU 438 N -4.33 0.24 -2.62 4.56 2.13 0.33 -4.32 120.64 116.62 3h71 n GLU 438 Ca 0.10 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3h71 n GLU 438 Cb 0.59 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.68 3h71 n GLU 438 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h71 n GLY 439 N 2.12 -0.23 1.63 8.31 0.00 -1.17 -4.59 105.19 111.27 3h71 n GLY 439 Ca 0.22 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 3h71 n GLY 439 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h71 n LYS 440 N 0.00 1.63 0.00 1.61 4.81 -1.26 -4.34 118.16 120.61 3h71 n LYS 440 Ca 0.00 -1.49 0.00 0.00 -0.87 0.00 0.00 58.31 55.95 3h71 n LYS 440 Cb 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.47 3h71 n LYS 440 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h71 n GLY 441 N -0.24 2.63 0.31 3.14 0.00 -1.26 -1.62 105.19 108.15 3h71 n GLY 441 Ca 0.30 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.34 3h71 n GLY 441 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h71 h ILE 442 N 0.00 0.41 -0.46 -0.61 6.09 -1.96 -0.59 117.51 120.40 3h71 h ILE 442 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3h71 h ILE 442 Cb 0.00 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.28 3h71 h ILE 442 CO 0.00 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.57 3h71 n PHE 443 N -3.68 1.65 -3.66 2.19 3.01 -0.64 -5.05 117.46 111.28 3h71 n PHE 443 Ca -0.03 -0.57 -0.20 0.00 1.01 0.00 0.00 57.45 57.66 3h71 n PHE 443 Cb 0.09 -0.42 -0.17 0.00 -0.01 0.00 0.00 39.48 38.96 3h71 n PHE 443 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3h71 s GLY 444 N -0.63 0.19 0.25 1.37 0.00 -0.23 -4.86 107.32 103.41 3h71 s GLY 444 Ca 0.43 0.21 0.10 0.00 0.00 0.00 0.00 44.72 45.47 3h71 s GLY 444 CO 0.13 1.49 -0.10 -0.45 0.00 0.00 0.00 173.10 174.17 3h71 s SER 446 N 2.19 4.12 0.07 1.64 0.15 -1.26 -4.79 113.70 115.82 3h71 s SER 446 Ca 0.04 -0.77 0.05 0.00 0.70 0.00 0.00 55.95 55.98 3h71 s SER 446 Cb -0.12 -0.61 -0.23 0.00 -1.71 0.00 0.00 66.02 63.34 3h71 s SER 446 CO -0.04 0.04 1.11 -1.28 1.20 0.00 0.00 173.24 174.27 3h71 h SER 447 N 2.29 0.10 -3.45 5.45 0.87 -2.03 -3.45 113.55 113.33 3h71 h SER 447 Ca -0.44 -0.12 -0.67 0.00 -1.23 0.00 0.00 61.79 59.33 3h71 h SER 447 Cb 1.24 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 62.99 3h71 h SER 447 CO 0.58 1.10 -0.66 -1.10 -0.53 0.00 0.00 176.83 176.22 3h71 s GLN 448 N -2.67 3.04 0.38 2.24 -1.52 -1.26 -5.09 119.66 114.77 3h71 s GLN 448 Ca -0.02 -0.48 -0.27 0.00 -1.95 0.00 0.00 55.36 52.64 3h71 s GLN 448 Cb 0.09 -2.74 -0.09 0.00 -0.22 0.00 0.00 33.01 30.04 3h71 s GLN 448 CO 0.83 0.60 1.27 0.21 -0.25 0.00 0.00 175.29 177.95 3h71 s LYS 449 N -0.61 4.13 -0.15 2.91 2.20 -1.26 -5.03 119.74 121.93 3h71 s LYS 449 Ca 0.10 2.10 0.01 0.00 -0.36 0.00 0.00 55.97 57.81 3h71 s LYS 449 Cb -0.12 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 3h71 s LYS 449 CO 0.02 -0.34 -0.16 -1.21 -0.36 0.00 0.00 175.35 173.31 3h71 s GLU 450 N -2.08 2.48 0.24 4.03 2.02 -1.26 -5.09 118.70 119.03 3h71 s GLU 450 Ca 0.54 -0.63 -0.31 0.00 0.02 0.00 0.00 54.97 54.58 3h71 s GLU 450 Cb -0.37 -2.20 -0.12 0.00 0.10 0.00 0.00 34.13 31.53 3h71 s GLU 450 CO 0.48 -0.21 1.59 0.39 0.02 0.00 0.00 175.26 177.53 3h71 n GLU 451 N 4.66 2.52 -0.04 1.61 -0.58 -1.26 -4.78 120.64 122.77 3h71 n GLU 451 Ca -0.18 0.90 0.04 0.00 -0.42 0.00 0.00 57.16 57.50 3h71 n GLU 451 Cb 0.50 -2.68 -0.16 0.00 -0.57 0.00 0.00 31.44 28.53 3h71 n GLU 451 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h71 n ALA 452 N 2.75 2.35 -2.37 0.62 0.00 -1.26 -4.61 120.51 117.99 3h71 n ALA 452 Ca 0.12 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 3h71 n ALA 452 Cb 0.34 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 3h71 n ALA 452 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h71 s TYR 453 N -3.12 0.99 -0.03 0.00 1.51 -1.26 -0.66 117.35 114.78 3h71 s TYR 453 Ca -0.08 -0.75 -0.00 0.00 -1.01 0.00 0.00 57.07 55.22 3h71 s TYR 453 Cb 0.11 -0.55 0.03 0.00 -0.11 0.00 0.00 41.96 41.44 3h71 s TYR 453 CO 0.84 -0.05 0.02 0.21 -1.11 0.00 0.00 175.55 175.46 3h71 s LYS 454 N -3.20 0.15 -0.01 -0.62 2.20 -0.10 -4.87 119.74 113.28 3h71 s LYS 454 Ca 0.08 0.16 -0.21 0.00 -0.36 0.00 0.00 55.97 55.64 3h71 s LYS 454 Cb 0.00 -0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 35.84 3h71 s LYS 454 CO -0.02 -0.18 0.61 0.15 -0.36 0.00 0.00 175.35 175.55 3h71 s LYS 455 N 1.24 4.34 -0.14 4.03 1.02 -1.26 -1.16 119.74 127.80 3h71 s LYS 455 Ca -0.07 0.76 -0.04 0.00 0.02 0.00 0.00 55.97 56.64 3h71 s LYS 455 Cb -0.13 -3.35 0.06 0.00 -0.52 0.00 0.00 37.83 33.89 3h71 s LYS 455 CO -0.03 0.33 0.15 0.42 -0.92 0.00 0.00 175.35 175.31 3h71 s ILE 456 N -0.08 -0.22 -1.22 2.17 1.01 0.31 -4.88 121.20 118.28 3h71 s ILE 456 Ca 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 3h71 s ILE 456 Cb -0.18 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.81 3h71 s ILE 456 CO 0.17 -0.08 0.98 0.47 0.00 0.00 0.00 174.94 176.48 3h71 n ASP 457 N 5.31 -2.20 -0.07 3.58 8.00 -1.26 -1.47 116.55 128.43 3h71 n ASP 457 Ca -0.05 -0.64 -0.01 0.00 0.71 0.00 0.00 54.79 54.80 3h71 n ASP 457 Cb 0.50 -5.01 -0.00 0.00 -0.02 0.00 0.00 41.12 36.58 3h71 n ASP 457 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h71 n GLY 458 N -1.23 0.25 3.35 0.44 0.00 -1.26 -4.97 105.19 101.78 3h71 n GLY 458 Ca -0.27 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3h71 n GLY 458 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 459 N -1.49 3.07 -0.21 1.61 -0.14 -0.54 -5.11 119.74 116.93 3h71 s LYS 459 Ca 0.00 -0.74 -0.13 0.00 -1.36 0.00 0.00 55.97 53.74 3h71 s LYS 459 Cb 0.00 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.63 3h71 s LYS 459 CO 0.00 0.31 0.27 0.99 -0.76 0.00 0.00 175.35 176.16 3h71 s THR 460 N 0.08 5.29 0.08 2.17 2.01 -1.26 0.11 115.64 124.13 3h71 s THR 460 Ca -0.07 0.45 0.09 0.00 0.31 0.00 0.00 61.69 62.47 3h71 s THR 460 Cb -0.15 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3h71 s THR 460 CO 0.05 0.33 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.76 3h71 s TYR 461 N 0.98 2.08 0.27 4.92 2.02 -0.31 -4.96 117.35 122.34 3h71 s TYR 461 Ca 0.14 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 3h71 s TYR 461 Cb -0.14 -1.18 -0.09 0.00 -0.40 0.00 0.00 41.96 40.15 3h71 s TYR 461 CO 0.05 0.20 0.96 -1.14 -1.57 0.00 0.00 175.55 174.05 3h71 s GLN 462 N -1.62 4.76 0.29 -0.62 0.74 -1.26 -0.93 119.66 121.02 3h71 s GLN 462 Ca 0.10 1.48 -0.14 0.00 0.05 0.00 0.00 55.36 56.86 3h71 s GLN 462 Cb -0.10 -3.14 -0.08 0.00 1.10 0.00 0.00 33.01 30.79 3h71 s GLN 462 CO 0.04 0.42 0.68 0.42 -0.55 0.00 0.00 175.29 176.30 3h71 s ILE 463 N -1.29 4.74 -0.02 -2.34 1.01 0.16 -1.72 121.20 121.74 3h71 s ILE 463 Ca 0.44 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.97 3h71 s ILE 463 Cb -0.25 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 3h71 s ILE 463 CO 0.31 -0.13 -0.14 -0.76 0.00 0.00 0.00 174.94 174.22 3h71 s LEU 464 N -2.87 1.94 -0.01 2.97 1.43 0.00 -4.22 118.68 117.91 3h71 s LEU 464 Ca 0.52 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3h71 s LEU 464 Cb -0.11 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 3h71 s LEU 464 CO 0.18 0.15 -0.02 -0.31 0.23 0.00 0.00 176.35 176.58 3h71 s TYR 465 N -0.11 3.04 -0.10 0.29 2.02 0.11 -1.20 117.35 121.41 3h71 s TYR 465 Ca 0.01 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 3h71 s TYR 465 Cb -0.08 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3h71 s TYR 465 CO 0.00 0.44 -0.13 0.50 -1.57 0.00 0.00 175.55 174.79 3h71 s ARG 466 N -1.41 1.91 0.18 -0.62 3.52 -1.26 -1.99 118.95 119.28 3h71 s ARG 466 Ca 0.18 -0.45 -0.33 0.00 -0.13 0.00 0.00 55.73 55.00 3h71 s ARG 466 Cb -0.11 -1.68 -0.14 0.00 -1.56 0.00 0.00 34.95 31.46 3h71 s ARG 466 CO 0.08 -0.08 1.46 0.39 -0.81 0.00 0.00 175.30 176.34 3h71 n GLU 467 N 4.24 1.91 -0.09 5.12 -0.58 -1.26 -1.50 120.64 128.48 3h71 n GLU 467 Ca -0.19 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 3h71 n GLU 467 Cb 0.51 -2.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 3h71 n GLU 467 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h71 n GLY 468 N 2.76 0.81 3.12 0.62 0.00 -1.26 -5.04 105.19 106.20 3h71 n GLY 468 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3h71 n GLY 468 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 469 N -0.71 1.23 -0.03 1.61 2.02 -0.56 -5.04 118.70 117.23 3h71 s GLU 469 Ca 0.00 -0.52 0.05 0.00 0.02 0.00 0.00 54.97 54.52 3h71 s GLU 469 Cb 0.00 -1.18 -0.24 0.00 0.10 0.00 0.00 34.13 32.81 3h71 s GLU 469 CO 0.00 0.30 0.73 -0.22 0.02 0.00 0.00 175.26 176.09 3h71 h LYS 470 N 5.84 0.10 -7.15 1.61 3.64 -1.97 -3.41 116.57 115.24 3h71 h LYS 470 Ca -0.35 -0.18 -0.55 0.00 -1.27 0.00 0.00 60.65 58.31 3h71 h LYS 470 Cb 1.16 0.07 0.17 0.00 -0.41 0.00 0.00 32.23 33.22 3h71 h LYS 470 CO 0.49 0.82 0.44 0.41 -2.27 0.00 0.00 179.45 179.33 3h71 n GLY 471 N 1.63 0.32 3.60 5.01 0.00 -1.26 -4.99 105.19 109.50 3h71 n GLY 471 Ca -0.17 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 3h71 n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h71 s ALA 472 N -1.70 3.56 0.62 4.61 0.00 -1.26 -4.69 121.76 122.89 3h71 s ALA 472 Ca 0.79 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 3h71 s ALA 472 Cb -0.34 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3h71 s ALA 472 CO 0.45 -0.74 0.99 0.71 0.00 0.00 0.00 175.76 177.16 3h71 s TYR 473 N 2.14 3.46 0.08 0.00 1.51 -0.34 -3.78 117.35 120.41 3h71 s TYR 473 Ca 0.16 1.02 0.03 0.00 -1.01 0.00 0.00 57.07 57.27 3h71 s TYR 473 Cb -0.16 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 3h71 s TYR 473 CO 0.10 -0.80 -0.10 0.95 -1.11 0.00 0.00 175.55 174.60 3h71 s THR 474 N -3.13 0.83 -0.35 -0.71 -4.23 -0.62 -0.82 115.64 106.62 3h71 s THR 474 Ca 0.55 -1.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 3h71 s THR 474 Cb -0.11 -1.15 -0.00 0.00 1.34 0.00 0.00 72.50 72.58 3h71 s THR 474 CO 0.50 -0.50 0.21 -0.63 -0.54 0.00 0.00 174.62 173.67 3h71 s ILE 475 N -2.12 4.93 0.00 2.99 1.01 -0.70 -0.45 121.20 126.86 3h71 s ILE 475 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3h71 s ILE 475 Cb -0.05 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3h71 s ILE 475 CO -0.00 -0.07 0.00 0.54 0.00 0.00 0.00 174.94 175.41 3h71 n ARG 476 N 5.05 3.81 -1.59 2.79 1.74 -0.26 -4.22 116.66 123.99 3h71 n ARG 476 Ca -0.13 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.49 3h71 n ARG 476 Cb 0.48 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.90 3h71 n ARG 476 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3h71 n GLU 477 N 0.00 1.31 -1.03 5.56 0.00 -1.26 -0.57 120.64 124.64 3h71 n GLU 477 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 57.16 57.61 3h71 n GLU 477 Cb 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 31.44 29.54 3h71 n GLU 477 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3h71 n ASN 478 N 1.62 -5.22 0.00 -1.84 3.02 -1.26 -2.16 115.26 109.41 3h71 n ASN 478 Ca 0.12 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 3h71 n ASN 478 Cb 0.29 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 3h71 n ASN 478 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h71 n GLY 479 N -0.08 0.70 3.72 7.41 0.00 0.26 -4.71 105.19 112.49 3h71 n GLY 479 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3h71 n GLY 479 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h71 s THR 480 N -2.78 2.47 -0.09 2.61 2.01 -0.92 -0.22 115.64 118.72 3h71 s THR 480 Ca 0.00 0.31 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 3h71 s THR 480 Cb 0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 3h71 s THR 480 CO 0.00 0.02 0.76 -0.69 -0.69 0.00 0.00 174.62 174.03 3h71 s VAL 481 N 1.29 4.98 -0.02 3.82 1.01 -0.62 -1.10 120.40 129.76 3h71 s VAL 481 Ca 0.72 1.56 0.02 0.00 0.00 0.00 0.00 61.98 64.27 3h71 s VAL 481 Cb -0.45 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 3h71 s VAL 481 CO 0.32 0.18 -0.04 -0.31 0.00 0.00 0.00 175.10 175.25 3h71 s TYR 482 N 1.19 2.98 0.93 5.22 1.51 0.41 -1.25 117.35 128.34 3h71 s TYR 482 Ca 0.39 0.03 -0.12 0.00 -1.01 0.00 0.00 57.07 56.37 3h71 s TYR 482 Cb -0.18 -1.67 0.15 0.00 -0.11 0.00 0.00 41.96 40.15 3h71 s TYR 482 CO 0.18 0.40 1.09 0.95 -1.11 0.00 0.00 175.55 177.06 3h71 s THR 483 N -0.97 2.54 0.51 -0.71 -4.23 0.21 -1.58 115.64 111.40 3h71 s THR 483 Ca 0.16 0.17 0.18 0.00 -1.18 0.00 0.00 61.69 61.03 3h71 s THR 483 Cb -0.11 -2.57 0.30 0.00 1.34 0.00 0.00 72.50 71.46 3h71 s THR 483 CO 0.07 -0.23 2.11 -0.65 -0.54 0.00 0.00 174.62 175.37 3h71 h PRO 484 N -1.69 0.04 -0.03 3.99 0.11 -1.90 0.82 132.00 133.33 3h71 h PRO 484 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h71 h PRO 484 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3h71 h PRO 484 CO 0.53 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3h71 n ASP 485 N -4.50 0.24 0.00 -2.05 5.75 -1.26 -4.90 116.55 109.83 3h71 n ASP 485 Ca 0.01 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3h71 n ASP 485 Cb 0.22 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3h71 n ASP 485 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h71 n GLY 486 N 0.72 0.42 3.46 6.12 0.00 0.28 -5.07 105.19 111.13 3h71 n GLY 486 Ca 0.09 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3h71 n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 487 N -3.58 2.89 0.38 1.61 1.02 -1.25 -4.84 119.74 115.96 3h71 s LYS 487 Ca 0.00 -0.66 -0.28 0.00 0.02 0.00 0.00 55.97 55.05 3h71 s LYS 487 Cb 0.00 -2.52 -0.10 0.00 -0.52 0.00 0.00 37.83 34.68 3h71 s LYS 487 CO 0.00 0.48 1.43 0.00 -0.92 0.00 0.00 175.35 176.34 3h71 s ALA 488 N -0.34 3.51 0.53 5.17 0.00 -1.26 -0.62 121.76 128.74 3h71 s ALA 488 Ca 0.04 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.51 3h71 s ALA 488 Cb -0.13 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.46 3h71 s ALA 488 CO 0.02 -0.97 0.29 0.25 0.00 0.00 0.00 175.76 175.35 3h71 n THR 489 N 0.44 0.00 0.51 0.00 -2.24 -0.38 -4.87 114.28 107.76 3h71 n THR 489 Ca 0.01 -2.19 0.08 0.00 -2.27 0.00 0.00 64.05 59.68 3h71 n THR 489 Cb 0.40 0.10 0.22 0.00 -2.10 0.00 0.00 70.33 68.96 3h71 n THR 489 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h71 n ASP 490 N -1.69 2.54 -4.89 3.42 5.75 -1.26 -4.71 116.55 115.70 3h71 n ASP 490 Ca -0.07 -1.98 -0.31 0.00 -0.01 0.00 0.00 54.79 52.41 3h71 n ASP 490 Cb 0.62 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.35 3h71 n ASP 490 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3h71 s TYR 491 N -1.39 3.46 -0.04 2.11 1.51 -1.26 -1.16 117.35 120.58 3h71 s TYR 491 Ca 0.32 0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 56.84 3h71 s TYR 491 Cb 0.17 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3h71 s TYR 491 CO 0.22 0.39 0.36 -0.98 -1.11 0.00 0.00 175.55 174.43 3h71 s ARG 492 N -2.74 0.66 -0.06 -0.62 1.70 0.29 -1.58 118.95 116.59 3h71 s ARG 492 Ca 0.42 -0.00 -0.00 0.00 -0.47 0.00 0.00 55.73 55.68 3h71 s ARG 492 Cb -0.12 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 3h71 s ARG 492 CO 0.24 -0.17 -0.02 0.08 -1.08 0.00 0.00 175.30 174.35 3h71 s VAL 493 N -1.00 4.09 -0.68 4.99 1.01 0.69 -0.37 120.40 129.12 3h71 s VAL 493 Ca -0.11 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 3h71 s VAL 493 Cb -0.04 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3h71 s VAL 493 CO 0.04 0.55 1.48 -0.69 0.00 0.00 0.00 175.10 176.49 3h71 s VAL 494 N -0.91 3.60 -1.00 2.92 1.01 -0.27 -4.38 120.40 121.38 3h71 s VAL 494 Ca 0.14 0.36 0.21 0.00 0.00 0.00 0.00 61.98 62.69 3h71 s VAL 494 Cb -0.11 -4.56 -0.22 0.00 0.00 0.00 0.00 36.38 31.49 3h71 s VAL 494 CO 0.04 -1.49 0.92 1.33 0.00 0.00 0.00 175.10 175.90 3h71 n VAL 495 N 6.69 0.00 -3.47 2.92 0.24 -1.26 -1.96 118.33 121.49 3h71 n VAL 495 Ca 0.09 -0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.13 3h71 n VAL 495 Cb 0.50 0.96 -0.09 0.00 -1.47 0.00 0.00 33.84 33.75 3h71 n VAL 495 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3h71 n ASP 496 N -1.50 2.27 -4.75 -1.34 8.00 -1.26 -5.04 116.55 112.93 3h71 n ASP 496 Ca 0.04 -3.09 -0.39 0.00 0.71 0.00 0.00 54.79 52.06 3h71 n ASP 496 Cb 0.33 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 40.79 3h71 n ASP 496 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3h71 n PRO 497 N 1.47 1.95 0.00 -0.24 -0.04 -1.26 -4.97 135.00 131.91 3h71 n PRO 497 Ca 0.26 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 3h71 n PRO 497 Cb 0.43 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 3h71 n PRO 497 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3h71 n VAL 498 N -0.63 0.00 -1.75 0.52 0.24 -1.26 -4.94 118.33 110.51 3h71 n VAL 498 Ca 0.08 -0.31 -0.31 0.00 -2.04 0.00 0.00 64.34 61.76 3h71 n VAL 498 Cb 0.43 1.07 0.03 0.00 -1.47 0.00 0.00 33.84 33.90 3h71 n VAL 498 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3h71 s LYS 499 N -0.50 3.28 0.31 7.34 1.02 -1.26 -4.92 119.74 125.01 3h71 s LYS 499 Ca 0.00 0.81 -0.29 0.00 0.02 0.00 0.00 55.97 56.51 3h71 s LYS 499 Cb 0.00 -2.04 -0.12 0.00 -0.52 0.00 0.00 37.83 35.15 3h71 s LYS 499 CO 0.00 -0.81 1.37 -2.30 -0.92 0.00 0.00 175.35 172.68 3h71 n PRO 500 N -2.92 2.19 -0.91 -1.68 -0.02 -1.26 -0.37 135.00 130.03 3h71 n PRO 500 Ca 0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3h71 n PRO 500 Cb 0.54 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3h71 n PRO 500 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h71 n ALA 501 N 1.00 0.00 -3.91 3.55 0.00 -1.26 -3.05 120.51 116.84 3h71 n ALA 501 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 3h71 n ALA 501 Cb 0.35 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 18.94 3h71 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h71 n TYR 502 N -2.25 -2.29 0.49 0.00 4.02 0.50 -1.25 117.16 116.38 3h71 n TYR 502 Ca 0.00 0.90 0.06 0.00 -0.01 0.00 0.00 57.90 58.86 3h71 n TYR 502 Cb 0.23 -4.01 0.29 0.00 -0.02 0.00 0.00 39.34 35.84 3h71 n TYR 502 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h71 n SER 503 N -2.85 0.00 -0.62 7.72 3.41 -1.17 -1.81 113.62 118.30 3h71 n SER 503 Ca 0.02 0.37 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 3h71 n SER 503 Cb 0.53 -0.43 0.24 0.00 -0.26 0.00 0.00 64.21 64.30 3h71 n SER 503 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h71 n ASP 504 N -1.43 2.08 -4.73 4.04 5.75 -1.26 -3.51 116.55 117.49 3h71 n ASP 504 Ca 0.04 -1.59 -0.42 0.00 -0.01 0.00 0.00 54.79 52.81 3h71 n ASP 504 Cb 0.13 0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 3h71 n ASP 504 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3h71 s LYS 505 N -2.17 4.13 0.00 0.11 2.20 -0.75 -1.67 119.74 121.58 3h71 s LYS 505 Ca 0.28 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.48 3h71 s LYS 505 Cb 0.20 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.46 3h71 s LYS 505 CO 0.40 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 3h71 n GLY 506 N 3.41 1.19 3.70 5.54 0.00 -0.83 -4.90 105.19 113.29 3h71 n GLY 506 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 3h71 n GLY 506 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h71 n ASP 507 N 0.00 3.12 -4.48 1.61 8.00 -0.67 -0.74 116.55 123.39 3h71 n ASP 507 Ca 0.00 1.14 -0.37 0.00 0.71 0.00 0.00 54.79 56.28 3h71 n ASP 507 Cb 0.00 -1.48 -0.12 0.00 -0.02 0.00 0.00 41.12 39.49 3h71 n ASP 507 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h71 s LEU 508 N -0.11 3.54 0.17 0.64 1.98 0.44 -1.11 118.68 124.23 3h71 s LEU 508 Ca 0.67 -0.16 0.09 0.00 -2.89 0.00 0.00 54.13 51.84 3h71 s LEU 508 Cb -0.60 -1.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.26 3h71 s LEU 508 CO 0.49 -0.02 -0.11 -0.31 -1.89 0.00 0.00 176.35 174.51 3h71 s TYR 509 N 1.54 2.60 -0.31 5.38 1.51 0.50 -0.63 117.35 127.94 3h71 s TYR 509 Ca 0.06 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 3h71 s TYR 509 Cb -0.15 -1.29 0.09 0.00 -0.11 0.00 0.00 41.96 40.51 3h71 s TYR 509 CO 0.05 0.50 0.06 0.21 -1.11 0.00 0.00 175.55 175.25 3h71 s LYS 510 N -2.74 1.12 6.76 -0.62 2.20 -0.26 -0.55 119.74 125.65 3h71 s LYS 510 Ca 0.24 -1.35 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 3h71 s LYS 510 Cb -0.09 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 3h71 s LYS 510 CO 0.14 -0.91 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 3h71 n GLY 511 N 4.61 1.47 1.42 5.54 0.00 -0.31 -2.02 105.19 115.90 3h71 n GLY 511 Ca -0.01 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.61 3h71 n GLY 511 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h71 n ASN 512 N 6.66 4.37 -4.62 1.61 4.13 -1.26 -4.91 115.26 121.23 3h71 n ASN 512 Ca 0.00 -2.32 -0.37 0.00 1.68 0.00 0.00 54.58 53.57 3h71 n ASN 512 Cb 0.00 -0.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.61 3h71 n ASN 512 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3h71 s GLN 513 N -1.59 4.00 -0.18 3.52 0.74 -0.86 -5.05 119.66 120.23 3h71 s GLN 513 Ca 0.48 -0.28 -0.29 0.00 0.05 0.00 0.00 55.36 55.32 3h71 s GLN 513 Cb 0.29 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.78 3h71 s GLN 513 CO 0.26 -0.09 1.22 -1.17 -0.55 0.00 0.00 175.29 174.96 3h71 s LEU 514 N 1.49 4.16 -0.18 3.68 2.96 -1.26 -1.11 118.68 128.42 3h71 s LEU 514 Ca 0.08 1.62 0.08 0.00 -0.22 0.00 0.00 54.13 55.69 3h71 s LEU 514 Cb -0.15 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.83 3h71 s LEU 514 CO 0.08 -0.76 -0.06 0.18 -1.32 0.00 0.00 176.35 174.48 3h71 n LEU 515 N 6.59 1.41 0.00 -0.68 4.77 0.19 -4.97 117.00 124.31 3h71 n LEU 515 Ca 0.14 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3h71 n LEU 515 Cb 0.45 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3h71 n LEU 515 CO 0.55 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3h71 n GLY 516 N 2.23 -0.98 3.24 -0.72 0.00 -1.03 -3.77 105.19 104.16 3h71 n GLY 516 Ca -0.32 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 3h71 n GLY 516 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h71 s ASN 517 N -4.00 -0.39 0.00 1.61 2.47 -1.26 -0.42 114.94 112.94 3h71 s ASN 517 Ca 0.00 0.74 0.13 0.00 0.42 0.00 0.00 52.86 54.15 3h71 s ASN 517 Cb 0.00 0.71 0.59 0.00 -1.45 0.00 0.00 41.25 41.10 3h71 s ASN 517 CO 0.00 -0.14 1.39 2.30 -3.72 0.00 0.00 177.10 176.93 3h71 n ILE 518 N 3.24 0.96 1.11 -5.21 -5.35 0.08 -2.06 119.36 112.13 3h71 n ILE 518 Ca -0.16 0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.68 3h71 n ILE 518 Cb 0.57 -1.02 0.18 0.00 -1.74 0.00 0.00 39.64 37.63 3h71 n ILE 518 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3h71 n TYR 519 N -1.43 0.00 -2.80 4.28 0.53 -1.26 -1.21 117.16 115.27 3h71 n TYR 519 Ca 0.04 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.52 3h71 n TYR 519 Cb 0.13 -0.08 -0.06 0.00 -1.03 0.00 0.00 39.34 38.31 3h71 n TYR 519 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3h71 s PHE 520 N -2.58 3.93 0.00 -0.72 2.99 -0.87 -0.52 117.98 120.20 3h71 s PHE 520 Ca 0.20 1.82 0.00 0.00 0.00 0.00 0.00 56.93 58.94 3h71 s PHE 520 Cb 0.18 -2.95 0.00 0.00 0.00 0.00 0.00 43.02 40.26 3h71 s PHE 520 CO 0.59 0.41 0.09 0.25 -0.00 0.00 0.00 175.22 176.55 3h71 n THR 521 N 1.84 0.00 -4.24 0.64 -2.24 -1.26 -4.78 114.28 104.23 3h71 n THR 521 Ca -0.02 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 3h71 n THR 521 Cb 0.48 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 3h71 n THR 521 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h71 s THR 522 N -0.82 1.02 -1.46 4.28 -4.23 -1.26 -4.84 115.64 108.33 3h71 s THR 522 Ca 0.00 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 3h71 s THR 522 Cb 0.00 -1.89 0.10 0.00 1.34 0.00 0.00 72.50 72.05 3h71 s THR 522 CO 0.00 -0.70 0.24 0.59 -0.54 0.00 0.00 174.62 174.21 3h71 n ASN 523 N -0.19 -0.32 -4.76 3.99 5.03 -1.26 -4.76 115.26 112.98 3h71 n ASN 523 Ca -0.10 -1.08 -0.37 0.00 0.87 0.00 0.00 54.58 53.90 3h71 n ASN 523 Cb 0.61 -1.35 0.01 0.00 -1.02 0.00 0.00 39.78 38.03 3h71 n ASN 523 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3h71 s LYS 524 N -6.53 3.53 0.00 3.52 1.02 -1.26 -4.82 119.74 115.20 3h71 s LYS 524 Ca 0.34 1.92 0.13 0.00 0.02 0.00 0.00 55.97 58.38 3h71 s LYS 524 Cb -0.20 -2.34 -0.11 0.00 -0.52 0.00 0.00 37.83 34.67 3h71 s LYS 524 CO 0.86 -0.78 0.62 0.25 -0.92 0.00 0.00 175.35 175.39 3h71 n THR 525 N -0.71 0.00 -4.46 2.17 -2.24 -1.26 -4.98 114.28 102.80 3h71 n THR 525 Ca 0.09 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 3h71 n THR 525 Cb 0.47 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 3h71 n THR 525 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h71 s SER 526 N -2.10 3.89 0.09 3.42 1.04 -1.25 -4.71 113.70 114.08 3h71 s SER 526 Ca 0.07 -1.08 0.27 0.00 0.48 0.00 0.00 55.95 55.69 3h71 s SER 526 Cb 0.10 -0.42 0.98 0.00 0.10 0.00 0.00 66.02 66.79 3h71 s SER 526 CO 0.49 -0.17 1.81 -2.65 0.98 0.00 0.00 173.24 173.70 3h71 n PRO 527 N -0.82 0.12 -4.70 4.02 -0.02 -1.26 -4.93 135.00 127.40 3h71 n PRO 527 Ca -0.05 0.09 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 3h71 n PRO 527 Cb 0.62 -1.64 -0.13 0.00 -0.02 0.00 0.00 33.50 32.34 3h71 n PRO 527 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3h71 s PHE 528 N -3.05 2.46 0.01 6.00 0.08 -1.26 -4.04 117.98 118.18 3h71 s PHE 528 Ca 0.12 -0.32 -0.10 0.00 0.12 0.00 0.00 56.93 56.75 3h71 s PHE 528 Cb 0.16 -1.42 0.01 0.00 -0.57 0.00 0.00 43.02 41.20 3h71 s PHE 528 CO 0.58 0.23 0.21 -0.98 -0.10 0.00 0.00 175.22 175.15 3h71 s ARG 529 N -1.45 0.62 0.95 0.44 1.70 -0.84 -4.22 118.95 116.14 3h71 s ARG 529 Ca 0.14 -0.44 -0.15 0.00 -0.47 0.00 0.00 55.73 54.81 3h71 s ARG 529 Cb -0.10 0.26 0.18 0.00 -0.57 0.00 0.00 34.95 34.72 3h71 s ARG 529 CO 0.04 -0.17 1.27 0.96 -1.08 0.00 0.00 175.30 176.33 3h71 s ILE 530 N -1.84 1.97 0.33 4.99 -4.36 -0.35 0.06 121.20 122.00 3h71 s ILE 530 Ca -0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 60.00 3h71 s ILE 530 Cb -0.04 -2.95 -0.10 0.00 1.25 0.00 0.00 42.46 40.61 3h71 s ILE 530 CO 0.00 0.00 1.33 0.00 0.24 0.00 0.00 174.94 176.52 3h71 s ALA 531 N -3.74 3.51 -1.21 2.27 0.00 -1.26 -4.78 121.76 116.55 3h71 s ALA 531 Ca 0.71 1.30 -0.19 0.00 0.00 0.00 0.00 51.96 53.77 3h71 s ALA 531 Cb -0.06 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.63 3h71 s ALA 531 CO 0.52 -0.69 1.64 0.15 0.00 0.00 0.00 175.76 177.38 3h71 s LYS 532 N -1.74 3.86 0.00 0.00 1.02 -1.26 -4.83 119.74 116.79 3h71 s LYS 532 Ca 0.50 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.76 3h71 s LYS 532 Cb -0.41 -5.47 0.00 0.00 -0.52 0.00 0.00 37.83 31.43 3h71 s LYS 532 CO 0.54 -2.23 0.00 -3.47 -0.92 0.00 0.00 175.35 169.26 3h71 n ASP 533 N 8.50 0.55 -4.49 2.83 2.03 -1.26 -4.56 116.55 120.15 3h71 n ASP 533 Ca 0.44 -0.48 -0.34 0.00 0.52 0.00 0.00 54.79 54.93 3h71 n ASP 533 Cb 0.48 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.75 3h71 n ASP 533 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3h71 s SER 534 N 0.04 4.79 0.26 1.67 0.15 -1.26 -4.45 113.70 114.90 3h71 s SER 534 Ca 0.00 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.59 3h71 s SER 534 Cb 0.00 -1.78 -0.05 0.00 -1.71 0.00 0.00 66.02 62.47 3h71 s SER 534 CO 0.00 0.16 -0.10 -0.31 1.20 0.00 0.00 173.24 174.18 3h71 s TYR 535 N 0.43 1.96 -0.13 3.44 1.51 -1.26 -4.75 117.35 118.55 3h71 s TYR 535 Ca -0.04 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 3h71 s TYR 535 Cb -0.14 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 3h71 s TYR 535 CO 0.03 0.38 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.53 3h71 s LEU 536 N -3.43 1.73 0.00 -1.29 2.96 -1.26 -4.41 118.68 112.98 3h71 s LEU 536 Ca 0.28 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3h71 s LEU 536 Cb 0.01 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.53 3h71 s LEU 536 CO 0.11 -0.02 0.00 0.79 -1.32 0.00 0.00 176.35 175.91 3h71 n TRP 537 N 4.52 -0.39 -3.65 5.38 7.02 0.25 -1.68 117.44 128.89 3h71 n TRP 537 Ca -0.18 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.29 3h71 n TRP 537 Cb 0.51 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.35 3h71 n TRP 537 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3h71 s SER 539 N -0.22 -0.00 0.08 -0.99 0.01 -0.37 -1.19 113.70 111.02 3h71 s SER 539 Ca 0.00 0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.28 3h71 s SER 539 Cb 0.00 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3h71 s SER 539 CO 0.00 -0.00 -0.06 -0.72 0.41 0.00 0.00 173.24 172.87 3h71 s TYR 540 N -0.78 0.75 -0.03 2.43 -0.85 -1.26 -0.93 117.35 116.68 3h71 s TYR 540 Ca 0.09 -0.88 0.02 0.00 -0.52 0.00 0.00 57.07 55.79 3h71 s TYR 540 Cb -0.02 -0.46 0.01 0.00 0.38 0.00 0.00 41.96 41.87 3h71 s TYR 540 CO -0.11 -0.19 -0.10 0.45 -1.52 0.00 0.00 175.55 174.08 3h71 s SER 541 N -2.76 1.34 -0.00 -0.18 0.15 0.08 -1.19 113.70 111.14 3h71 s SER 541 Ca 0.07 -0.21 0.09 0.00 0.70 0.00 0.00 55.95 56.60 3h71 s SER 541 Cb 0.03 -0.43 0.27 0.00 -1.71 0.00 0.00 66.02 64.19 3h71 s SER 541 CO -0.05 0.06 1.22 0.47 1.20 0.00 0.00 173.24 176.14 3h71 n ASP 542 N 3.42 2.82 -2.42 5.45 8.00 -1.26 -0.89 116.55 131.67 3h71 n ASP 542 Ca -0.20 -2.01 -0.18 0.00 0.71 0.00 0.00 54.79 53.12 3h71 n ASP 542 Cb 0.53 -0.21 0.02 0.00 -0.02 0.00 0.00 41.12 41.45 3h71 n ASP 542 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h71 n ASP 543 N 0.38 3.64 -2.47 -2.24 5.68 -1.26 -4.96 116.55 115.32 3h71 n ASP 543 Ca 0.10 -3.23 -0.21 0.00 -0.50 0.00 0.00 54.79 50.95 3h71 n ASP 543 Cb 0.41 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3h71 n ASP 543 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3h71 n ASP 544 N -0.52 -5.88 0.00 -1.12 2.03 -1.26 -2.85 116.55 106.96 3h71 n ASP 544 Ca 0.30 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.53 3h71 n ASP 544 Cb 0.82 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 36.38 3h71 n ASP 544 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h71 n GLY 545 N -1.13 0.72 0.16 0.27 0.00 -1.26 -4.97 105.19 98.98 3h71 n GLY 545 Ca -0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 3h71 n GLY 545 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h71 h LYS 546 N 4.19 0.49 -5.57 1.61 1.57 -1.94 -3.46 116.57 113.46 3h71 h LYS 546 Ca 0.00 -0.35 -0.46 0.00 -1.87 0.00 0.00 60.65 57.97 3h71 h LYS 546 Cb 0.00 0.06 -0.22 0.00 0.08 0.00 0.00 32.23 32.15 3h71 h LYS 546 CO 0.00 0.97 -0.80 0.95 -0.57 0.00 0.00 179.45 180.01 3h71 s THR 547 N -3.86 1.28 0.09 -0.16 -4.23 -1.26 -5.01 115.64 102.48 3h71 s THR 547 Ca -0.13 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.14 3h71 s THR 547 Cb 0.06 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.67 3h71 s THR 547 CO 0.81 -0.13 -0.20 0.26 -0.54 0.00 0.00 174.62 174.82 3h71 s TRP 548 N -1.16 1.70 0.85 3.99 0.52 -1.26 -4.37 118.94 119.21 3h71 s TRP 548 Ca 0.01 -0.41 -0.11 0.00 0.02 0.00 0.00 56.10 55.60 3h71 s TRP 548 Cb -0.10 -0.95 0.10 0.00 -1.15 0.00 0.00 33.47 31.37 3h71 s TRP 548 CO 0.03 0.16 1.09 -1.54 0.02 0.00 0.00 176.95 176.71 3h71 s SER 549 N -1.74 3.96 0.57 2.95 1.04 -0.33 -4.94 113.70 115.21 3h71 s SER 549 Ca 0.05 1.40 -0.19 0.00 0.48 0.00 0.00 55.95 57.70 3h71 s SER 549 Cb -0.10 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 3h71 s SER 549 CO 0.03 -2.32 1.15 0.00 0.98 0.00 0.00 173.24 173.09 3h71 s ALA 550 N -3.04 2.62 0.33 5.32 0.00 -1.26 -4.54 121.76 121.19 3h71 s ALA 550 Ca 0.62 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 3h71 s ALA 550 Cb -0.16 -3.38 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 3h71 s ALA 550 CO 0.56 -0.95 1.44 -2.30 0.00 0.00 0.00 175.76 174.51 3h71 n PRO 551 N -1.51 2.44 -4.73 0.00 -0.02 -1.26 -4.78 135.00 125.13 3h71 n PRO 551 Ca 0.12 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 62.13 3h71 n PRO 551 Cb 0.51 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 3h71 n PRO 551 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3h71 s GLN 552 N -1.45 3.15 -0.57 -0.52 0.74 -1.26 -5.01 119.66 114.74 3h71 s GLN 552 Ca 0.58 -0.65 -0.24 0.00 0.05 0.00 0.00 55.36 55.11 3h71 s GLN 552 Cb -0.53 -2.61 0.04 0.00 1.10 0.00 0.00 33.01 31.01 3h71 s GLN 552 CO 0.58 0.37 0.95 0.34 -0.55 0.00 0.00 175.29 176.98 3h71 s ASP 553 N -0.04 6.31 0.00 6.67 2.15 -1.26 -4.38 116.67 126.12 3h71 s ASP 553 Ca -0.02 -0.44 0.26 0.00 0.43 0.00 0.00 52.55 52.78 3h71 s ASP 553 Cb -0.14 -2.44 0.53 0.00 -0.30 0.00 0.00 42.92 40.58 3h71 s ASP 553 CO 0.04 -1.26 1.44 2.30 -0.17 0.00 0.00 175.17 177.52 3h71 n ILE 554 N 6.16 0.00 -0.25 4.11 -5.35 -0.68 -4.56 119.36 118.79 3h71 n ILE 554 Ca 0.01 -0.35 0.01 0.00 -0.27 0.00 0.00 62.75 62.16 3h71 n ILE 554 Cb 0.47 1.00 0.09 0.00 -1.74 0.00 0.00 39.64 39.46 3h71 n ILE 554 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3h71 h THR 555 N 3.25 0.27 0.00 7.28 2.02 -1.86 -3.23 112.91 120.63 3h71 h THR 555 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h71 h THR 555 Cb 0.74 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3h71 h THR 555 CO 0.00 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.08 3h71 n PRO 556 N -5.48 0.00 0.00 6.66 -0.04 -1.26 -0.71 135.00 134.17 3h71 n PRO 556 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3h71 n PRO 556 Cb 0.38 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3h71 n PRO 556 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3h71 n VAL 558 N 1.61 0.00 -3.22 0.52 0.24 -1.22 -5.00 118.33 111.26 3h71 n VAL 558 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3h71 n VAL 558 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 3h71 n VAL 558 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h71 s LYS 559 N -0.38 3.64 0.76 7.34 2.20 0.11 -4.64 119.74 128.78 3h71 s LYS 559 Ca 0.00 -0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.39 3h71 s LYS 559 Cb 0.00 -3.80 0.05 0.00 -1.51 0.00 0.00 37.83 32.57 3h71 s LYS 559 CO 0.00 -0.65 1.09 0.00 -0.36 0.00 0.00 175.35 175.44 3h71 s ALA 560 N 2.44 2.27 0.40 3.13 0.00 -1.26 -4.94 121.76 123.79 3h71 s ALA 560 Ca 0.20 0.30 0.27 0.00 0.00 0.00 0.00 51.96 52.73 3h71 s ALA 560 Cb -0.15 -3.28 1.42 0.00 0.00 0.00 0.00 23.12 21.10 3h71 s ALA 560 CO 0.13 -1.73 2.06 -0.44 0.00 0.00 0.00 175.76 175.78 3h71 h ASP 561 N -1.02 0.00 -0.94 0.00 3.32 -2.01 -3.46 116.42 112.30 3h71 h ASP 561 Ca -0.44 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 55.89 3h71 h ASP 561 Cb 1.23 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 3h71 h ASP 561 CO 0.51 0.12 2.32 -2.67 -1.72 0.00 0.00 179.24 177.81 3h71 n TRP 562 N -3.63 3.89 0.00 4.55 4.27 -1.26 -5.13 117.44 120.13 3h71 n TRP 562 Ca -0.02 -2.96 0.00 0.00 -3.89 0.00 0.00 57.50 50.63 3h71 n TRP 562 Cb 0.25 -2.35 0.00 0.00 -1.36 0.00 0.00 31.31 27.85 3h71 n TRP 562 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 3h71 n LYS 564 N 5.95 0.00 -3.04 -2.67 4.81 -0.62 -4.25 118.16 118.33 3h71 n LYS 564 Ca 0.45 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.51 3h71 n LYS 564 Cb 0.41 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.39 3h71 n LYS 564 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3h71 s PHE 565 N 0.00 3.85 -0.20 5.64 5.36 -1.24 -4.42 117.98 126.96 3h71 s PHE 565 Ca 0.00 1.54 -0.04 0.00 -0.96 0.00 0.00 56.93 57.47 3h71 s PHE 565 Cb 0.00 -2.70 0.09 0.00 -0.34 0.00 0.00 43.02 40.06 3h71 s PHE 565 CO 0.00 0.49 0.18 -1.17 -1.46 0.00 0.00 175.22 173.27 3h71 s LEU 566 N -1.30 0.04 0.16 6.12 2.96 -1.26 -1.84 118.68 123.56 3h71 s LEU 566 Ca 0.36 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3h71 s LEU 566 Cb -0.21 0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 3h71 s LEU 566 CO 0.24 -0.34 0.11 -0.83 -1.32 0.00 0.00 176.35 174.21 3h71 s GLY 567 N 2.27 1.16 0.61 7.98 0.00 -0.56 -4.56 107.32 114.20 3h71 s GLY 567 Ca 0.06 -1.54 -0.10 0.00 0.00 0.00 0.00 44.72 43.14 3h71 s GLY 567 CO -0.14 -1.34 1.00 -1.34 0.00 0.00 0.00 173.10 171.29 3h71 s VAL 568 N -4.09 4.73 -0.60 1.40 -7.23 -1.26 -0.27 120.40 113.08 3h71 s VAL 568 Ca 0.30 0.81 -0.16 0.00 -1.81 0.00 0.00 61.98 61.12 3h71 s VAL 568 Cb 0.07 -3.87 0.14 0.00 0.56 0.00 0.00 36.38 33.28 3h71 s VAL 568 CO 0.06 -1.12 0.59 -0.83 -0.31 0.00 0.00 175.10 173.50 3h71 s GLY 569 N -4.17 2.10 0.54 2.32 0.00 0.10 -4.71 107.32 103.49 3h71 s GLY 569 Ca 0.54 -2.58 -0.20 0.00 0.00 0.00 0.00 44.72 42.48 3h71 s GLY 569 CO 0.53 1.31 0.76 -1.55 0.00 0.00 0.00 173.10 174.15 3h71 n PRO 570 N 5.34 0.80 0.00 2.90 -0.04 -1.26 -4.61 135.00 138.13 3h71 n PRO 570 Ca -0.08 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3h71 n PRO 570 Cb 0.42 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 3h71 n PRO 570 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h71 n GLY 571 N 1.51 0.42 3.07 0.55 0.00 -1.26 -4.90 105.19 104.57 3h71 n GLY 571 Ca 0.12 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 3h71 n GLY 571 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h71 s THR 572 N -3.48 1.72 0.56 2.61 2.01 -1.26 -1.37 115.64 116.43 3h71 s THR 572 Ca 0.00 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 3h71 s THR 572 Cb 0.00 -1.58 0.13 0.00 0.01 0.00 0.00 72.50 71.07 3h71 s THR 572 CO 0.00 0.48 0.70 0.61 -0.69 0.00 0.00 174.62 175.72 3h71 n GLY 573 N 4.51 -1.63 3.28 4.40 0.00 0.19 -4.79 105.19 111.14 3h71 n GLY 573 Ca -0.19 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 3h71 n GLY 573 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h71 s ILE 574 N -2.47 0.32 -0.09 -0.61 -4.36 -1.08 -4.77 121.20 108.15 3h71 s ILE 574 Ca 0.40 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 3h71 s ILE 574 Cb -0.02 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 41.13 3h71 s ILE 574 CO 0.29 0.00 -0.16 -0.69 0.24 0.00 0.00 174.94 174.62 3h71 s VAL 575 N -3.89 1.48 0.26 8.37 1.01 -1.26 -0.46 120.40 125.92 3h71 s VAL 575 Ca 0.38 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 3h71 s VAL 575 Cb 0.07 -1.33 -0.12 0.00 0.00 0.00 0.00 36.38 35.00 3h71 s VAL 575 CO 0.14 0.43 1.64 0.18 0.00 0.00 0.00 175.10 177.49 3h71 n LEU 576 N 3.97 4.20 0.06 3.92 4.77 0.15 -4.84 117.00 129.22 3h71 n LEU 576 Ca -0.20 1.11 0.05 0.00 -0.03 0.00 0.00 56.01 56.94 3h71 n LEU 576 Cb 0.52 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 3h71 n LEU 576 CO 0.25 0.15 -0.21 0.54 -1.33 0.00 0.00 177.39 176.79 3h71 n ARG 577 N 2.82 0.62 -4.03 3.23 1.74 -1.26 -0.84 116.66 118.94 3h71 n ARG 577 Ca 0.11 0.15 -0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3h71 n ARG 577 Cb 0.36 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 3h71 n ARG 577 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h71 s ASN 578 N -5.53 0.72 0.00 0.55 2.20 -1.26 -4.87 114.94 106.75 3h71 s ASN 578 Ca -0.02 -1.41 0.00 0.00 -0.94 0.00 0.00 52.86 50.49 3h71 s ASN 578 Cb 0.09 0.70 0.00 0.00 -2.00 0.00 0.00 41.25 40.05 3h71 s ASN 578 CO 0.81 -1.38 0.00 0.61 -2.94 0.00 0.00 177.10 174.20 3h71 n GLY 579 N -0.56 -0.92 0.34 0.45 0.00 -1.26 -3.63 105.19 99.61 3h71 n GLY 579 Ca -0.01 -1.67 0.19 0.00 0.00 0.00 0.00 46.02 44.52 3h71 n GLY 579 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h71 h PRO 580 N 0.00 0.00 -0.34 1.61 0.11 -1.98 -2.13 132.00 129.27 3h71 h PRO 580 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3h71 h PRO 580 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3h71 h PRO 580 CO 0.00 0.00 0.02 0.72 -0.21 0.00 0.00 178.00 178.53 3h71 n HIS 581 N -3.33 1.16 -1.62 0.65 8.25 -1.26 -5.03 115.22 114.04 3h71 n HIS 581 Ca -0.01 -1.08 -0.44 0.00 -0.26 0.00 0.00 57.72 55.93 3h71 n HIS 581 Cb 0.25 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 3h71 n HIS 581 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3h71 n LYS 582 N -0.61 1.60 0.00 -0.41 4.81 -0.80 -1.62 118.16 121.13 3h71 n LYS 582 Ca 0.26 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3h71 n LYS 582 Cb 0.99 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 34.03 3h71 n LYS 582 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h71 n GLY 583 N 1.14 2.40 3.72 3.14 0.00 -0.02 -4.96 105.19 110.62 3h71 n GLY 583 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3h71 n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h71 s ARG 584 N -0.78 4.33 -0.17 1.61 3.52 -0.64 -4.69 118.95 122.13 3h71 s ARG 584 Ca 0.00 2.10 -0.18 0.00 -0.13 0.00 0.00 55.73 57.52 3h71 s ARG 584 Cb 0.00 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.14 3h71 s ARG 584 CO 0.00 -0.39 0.50 0.42 -0.81 0.00 0.00 175.30 175.02 3h71 s ILE 585 N 0.71 5.14 -0.12 4.11 1.01 -0.52 -0.67 121.20 130.86 3h71 s ILE 585 Ca 0.62 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 62.20 3h71 s ILE 585 Cb -0.37 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 3h71 s ILE 585 CO 0.34 0.23 -0.09 -0.76 0.00 0.00 0.00 174.94 174.66 3h71 s LEU 586 N 1.27 2.97 -0.16 2.97 1.43 0.40 -1.94 118.68 125.62 3h71 s LEU 586 Ca 0.24 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3h71 s LEU 586 Cb -0.15 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.43 3h71 s LEU 586 CO 0.10 0.22 -0.12 -0.63 0.23 0.00 0.00 176.35 176.16 3h71 s ILE 587 N 0.02 1.50 0.29 -0.59 -1.09 -0.28 -2.62 121.20 118.43 3h71 s ILE 587 Ca -0.02 -0.71 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 3h71 s ILE 587 Cb -0.14 -1.49 -0.10 0.00 -1.58 0.00 0.00 42.46 39.15 3h71 s ILE 587 CO 0.03 0.33 1.36 -2.84 -1.23 0.00 0.00 174.94 172.59 3h71 s PRO 588 N 1.50 4.32 0.25 2.79 0.02 -1.26 -1.31 135.00 141.31 3h71 s PRO 588 Ca 0.03 2.24 -0.06 0.00 0.02 0.00 0.00 61.00 63.23 3h71 s PRO 588 Cb -0.14 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.27 3h71 s PRO 588 CO -0.09 -0.28 0.34 0.14 -0.33 0.00 0.00 177.00 176.77 3h71 s VAL 589 N -0.65 0.00 0.07 3.83 -7.23 -0.18 -0.72 120.40 115.53 3h71 s VAL 589 Ca 0.53 -1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 58.84 3h71 s VAL 589 Cb -0.40 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.17 3h71 s VAL 589 CO 0.49 0.00 0.42 -0.72 -0.31 0.00 0.00 175.10 174.97 3h71 s TYR 590 N -3.88 -0.26 0.29 2.82 -0.85 0.63 -1.70 117.35 114.40 3h71 s TYR 590 Ca 0.31 0.12 0.02 0.00 -0.52 0.00 0.00 57.07 57.01 3h71 s TYR 590 Cb 0.02 0.25 -0.06 0.00 0.38 0.00 0.00 41.96 42.55 3h71 s TYR 590 CO 0.13 -0.63 0.08 0.95 -1.52 0.00 0.00 175.55 174.57 3h71 s THR 591 N -2.96 0.82 0.14 -3.49 -4.23 -0.66 -1.50 115.64 103.76 3h71 s THR 591 Ca -0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3h71 s THR 591 Cb 0.00 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3h71 s THR 591 CO -0.06 0.00 -0.07 0.42 -0.54 0.00 0.00 174.62 174.37 3h71 s THR 592 N -3.54 0.95 0.50 3.99 -4.23 -0.77 -1.53 115.64 111.01 3h71 s THR 592 Ca 0.37 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 3h71 s THR 592 Cb 0.08 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 3h71 s THR 592 CO 0.15 -0.75 0.18 0.54 -0.54 0.00 0.00 174.62 174.20 3h71 s ASN 593 N -3.13 4.35 0.00 3.99 2.20 -1.26 -1.59 114.94 119.50 3h71 s ASN 593 Ca 0.16 -1.38 0.28 0.00 -0.94 0.00 0.00 52.86 50.98 3h71 s ASN 593 Cb 0.04 0.25 1.15 0.00 -2.00 0.00 0.00 41.25 40.69 3h71 s ASN 593 CO -0.01 -0.86 1.84 0.59 -2.94 0.00 0.00 177.10 175.72 3h71 n ASN 594 N -1.42 0.22 -0.03 3.54 3.02 -1.26 -1.52 115.26 117.80 3h71 n ASN 594 Ca -0.09 -0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.34 3h71 n ASN 594 Cb 0.66 -0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 3h71 n ASN 594 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3h71 h VAL 595 N 0.15 1.05 0.00 2.41 2.07 -1.93 -3.42 116.25 116.59 3h71 h VAL 595 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3h71 h VAL 595 Cb 0.43 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3h71 h VAL 595 CO 0.00 0.34 0.00 -1.54 0.02 0.00 0.00 177.57 176.39 3h71 n SER 596 N -4.74 0.37 0.00 0.57 3.41 -1.26 -5.07 113.62 106.91 3h71 n SER 596 Ca -0.07 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 3h71 n SER 596 Cb 0.29 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3h71 n SER 596 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3h71 n HIS 597 N -0.36 0.00 0.82 7.33 -0.00 -0.58 -0.91 115.22 121.52 3h71 n HIS 597 Ca 0.00 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.29 3h71 n HIS 597 Cb 0.04 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 30.40 3h71 n HIS 597 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3h71 n LEU 598 N 0.00 0.00 0.08 0.27 4.77 -1.26 -2.33 117.00 118.52 3h71 n LEU 598 Ca 0.00 0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 3h71 n LEU 598 Cb 0.00 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.47 3h71 n LEU 598 CO 0.00 -0.10 -0.22 0.78 -1.33 0.00 0.00 177.39 176.52 3h71 h ASN 599 N 0.00 0.39 0.00 -1.43 2.35 -1.45 -3.44 115.58 112.00 3h71 h ASN 599 Ca 0.00 -0.48 -0.07 0.00 -0.55 0.00 0.00 56.30 55.20 3h71 h ASN 599 Cb 0.37 -0.13 -0.11 0.00 0.05 0.00 0.00 38.32 38.51 3h71 h ASN 599 CO 0.00 1.39 -0.36 0.61 -1.65 0.00 0.00 177.43 177.42 3h71 n GLY 600 N 1.60 0.75 0.00 2.83 0.00 -1.17 -4.27 105.19 104.93 3h71 n GLY 600 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3h71 n GLY 600 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h71 n SER 601 N 0.09 0.51 -4.68 1.61 3.41 -0.98 -1.20 113.62 112.38 3h71 n SER 601 Ca -0.08 -1.11 -0.46 0.00 -0.26 0.00 0.00 58.87 56.96 3h71 n SER 601 Cb 0.71 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 3h71 n SER 601 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h71 n GLN 602 N -0.06 2.39 -3.89 4.33 6.02 -1.25 -4.43 117.38 120.49 3h71 n GLN 602 Ca 0.00 0.87 -0.18 0.00 -0.01 0.00 0.00 57.00 57.68 3h71 n GLN 602 Cb 0.22 -2.73 -0.16 0.00 1.02 0.00 0.00 30.24 28.58 3h71 n GLN 602 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3h71 s SER 603 N 3.50 0.63 0.56 1.08 0.01 -0.58 -1.09 113.70 117.80 3h71 s SER 603 Ca 0.89 -0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.96 3h71 s SER 603 Cb -0.62 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.32 3h71 s SER 603 CO 0.46 -0.12 1.02 -0.44 0.41 0.00 0.00 173.24 174.57 3h71 s SER 604 N 1.22 6.23 0.00 2.44 0.01 -0.18 -1.65 113.70 121.79 3h71 s SER 604 Ca -0.07 1.66 -0.17 0.00 1.31 0.00 0.00 55.95 58.67 3h71 s SER 604 Cb -0.13 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.64 3h71 s SER 604 CO -0.02 -0.86 0.80 -2.11 0.41 0.00 0.00 173.24 171.46 3h71 n ARG 605 N -1.88 0.16 -4.27 12.44 1.85 -0.69 -2.23 116.66 122.03 3h71 n ARG 605 Ca 0.07 -0.55 -0.15 0.00 -1.00 0.00 0.00 57.85 56.22 3h71 n ARG 605 Cb 0.54 0.88 -0.10 0.00 -1.05 0.00 0.00 32.46 32.72 3h71 n ARG 605 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3h71 s ILE 606 N -2.09 1.04 0.19 8.89 -5.25 -1.26 -1.01 121.20 121.72 3h71 s ILE 606 Ca 0.19 -2.04 0.11 0.00 -0.99 0.00 0.00 60.65 57.92 3h71 s ILE 606 Cb -0.01 -2.04 -0.04 0.00 2.95 0.00 0.00 42.46 43.32 3h71 s ILE 606 CO 0.00 -0.58 -0.21 0.27 -1.79 0.00 0.00 174.94 172.64 3h71 s ILE 607 N -3.41 2.52 0.17 8.37 -4.36 -0.42 -0.90 121.20 123.17 3h71 s ILE 607 Ca 0.21 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.58 3h71 s ILE 607 Cb 0.04 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 3h71 s ILE 607 CO 0.03 -0.12 0.23 -0.72 0.24 0.00 0.00 174.94 174.61 3h71 s TYR 608 N -1.69 0.63 -0.03 1.37 -0.85 0.68 -1.12 117.35 116.34 3h71 s TYR 608 Ca 0.22 -0.97 -0.01 0.00 -0.52 0.00 0.00 57.07 55.78 3h71 s TYR 608 Cb -0.08 -0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.08 3h71 s TYR 608 CO 0.11 -0.69 0.06 0.45 -1.52 0.00 0.00 175.55 173.96 3h71 s SER 609 N -3.03 0.31 0.00 -0.18 0.15 -0.82 -0.94 113.70 109.20 3h71 s SER 609 Ca 0.23 0.10 0.21 0.00 0.70 0.00 0.00 55.95 57.19 3h71 s SER 609 Cb 0.04 -0.03 0.04 0.00 -1.71 0.00 0.00 66.02 64.37 3h71 s SER 609 CO 0.04 -0.16 1.05 0.47 1.20 0.00 0.00 173.24 175.83 3h71 n ASP 610 N 4.49 2.13 -2.23 5.45 8.00 -1.26 -1.44 116.55 131.70 3h71 n ASP 610 Ca -0.21 -1.57 -0.27 0.00 0.71 0.00 0.00 54.79 53.45 3h71 n ASP 610 Cb 0.50 0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.98 3h71 n ASP 610 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h71 n ASP 611 N 0.28 5.39 -2.93 -2.24 5.68 -1.26 -4.91 116.55 116.57 3h71 n ASP 611 Ca 0.09 -3.75 -0.22 0.00 -0.50 0.00 0.00 54.79 50.41 3h71 n ASP 611 Cb 0.45 -0.50 0.04 0.00 -1.14 0.00 0.00 41.12 39.97 3h71 n ASP 611 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3h71 n HIS 612 N -0.67 -1.93 -0.65 2.11 8.25 -1.26 -2.96 115.22 118.11 3h71 n HIS 612 Ca 0.46 0.52 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 3h71 n HIS 612 Cb 0.81 -4.42 0.00 0.00 1.12 0.00 0.00 29.99 27.50 3h71 n HIS 612 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h71 n GLY 613 N -1.52 0.73 0.14 -1.41 0.00 -1.26 -4.96 105.19 96.92 3h71 n GLY 613 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3h71 n GLY 613 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h71 h LYS 614 N 2.68 0.42 -5.61 1.61 1.79 -1.94 -3.46 116.57 112.06 3h71 h LYS 614 Ca 0.00 -0.43 -0.47 0.00 -2.18 0.00 0.00 60.65 57.57 3h71 h LYS 614 Cb 0.00 0.12 -0.23 0.00 -1.58 0.00 0.00 32.23 30.54 3h71 h LYS 614 CO 0.00 1.09 -0.80 0.95 -1.08 0.00 0.00 179.45 179.61 3h71 s THR 615 N -3.26 1.31 0.19 -0.16 -4.23 -1.26 -5.11 115.64 103.11 3h71 s THR 615 Ca -0.13 -1.28 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 3h71 s THR 615 Cb 0.04 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 3h71 s THR 615 CO 0.82 -0.09 -0.21 0.26 -0.54 0.00 0.00 174.62 174.86 3h71 s TRP 616 N -1.10 2.08 0.02 3.99 0.52 -1.26 -4.42 118.94 118.77 3h71 s TRP 616 Ca 0.02 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.71 3h71 s TRP 616 Cb -0.09 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.19 3h71 s TRP 616 CO 0.02 0.44 0.02 -1.01 0.02 0.00 0.00 176.95 176.44 3h71 s HIS 617 N -1.89 0.22 -0.07 -1.98 3.76 -0.11 -4.59 115.29 110.63 3h71 s HIS 617 Ca 0.19 -0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 54.51 3h71 s HIS 617 Cb -0.07 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.41 3h71 s HIS 617 CO 0.09 -0.23 0.31 0.00 -0.85 0.00 0.00 174.74 174.06 3h71 s ALA 618 N -1.63 3.71 0.84 -1.40 0.00 -1.26 -0.23 121.76 121.79 3h71 s ALA 618 Ca -0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.37 3h71 s ALA 618 Cb -0.08 -2.29 0.13 0.00 0.00 0.00 0.00 23.12 20.88 3h71 s ALA 618 CO -0.01 0.41 0.84 0.41 0.00 0.00 0.00 175.76 177.41 3h71 n GLY 619 N 2.27 -0.48 3.91 0.00 0.00 -0.08 -4.95 105.19 105.86 3h71 n GLY 619 Ca -0.15 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 3h71 n GLY 619 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 620 N -4.73 3.59 0.45 1.61 2.02 0.12 -4.77 118.70 117.00 3h71 s GLU 620 Ca 0.51 0.06 -0.21 0.00 0.02 0.00 0.00 54.97 55.35 3h71 s GLU 620 Cb -0.02 -2.52 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 3h71 s GLU 620 CO 0.35 0.02 1.03 0.00 0.02 0.00 0.00 175.26 176.68 3h71 s ALA 621 N -2.39 2.95 0.38 5.21 0.00 -1.26 -4.60 121.76 122.04 3h71 s ALA 621 Ca 0.45 0.60 0.05 0.00 0.00 0.00 0.00 51.96 53.06 3h71 s ALA 621 Cb -0.10 -3.24 0.75 0.00 0.00 0.00 0.00 23.12 20.52 3h71 s ALA 621 CO 0.36 -0.21 2.03 0.28 0.00 0.00 0.00 175.76 178.22 3h71 h VAL 622 N 1.78 1.14 0.00 0.00 2.07 -1.81 -1.60 116.25 117.83 3h71 h VAL 622 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3h71 h VAL 622 Cb 1.21 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3h71 h VAL 622 CO 0.60 0.14 0.00 0.59 0.02 0.00 0.00 177.57 178.92 3h71 n ASN 623 N -4.45 0.00 -4.64 0.57 5.03 -1.26 -4.61 115.26 105.90 3h71 n ASN 623 Ca 0.04 0.16 -0.43 0.00 0.87 0.00 0.00 54.58 55.22 3h71 n ASN 623 Cb 0.06 -0.38 -0.02 0.00 -1.02 0.00 0.00 39.78 38.42 3h71 n ASN 623 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3h71 s ASP 624 N -2.75 6.60 -1.27 6.41 1.01 -0.60 -2.37 116.67 123.69 3h71 s ASP 624 Ca 0.20 1.72 0.00 0.00 0.71 0.00 0.00 52.55 55.18 3h71 s ASP 624 Cb 0.17 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.57 3h71 s ASP 624 CO 0.43 -1.05 0.00 -3.20 0.21 0.00 0.00 175.17 171.56 3h71 n ASN 625 N 7.65 -4.50 -4.78 0.27 5.15 0.32 -4.95 115.26 114.42 3h71 n ASN 625 Ca 0.17 -0.01 -0.38 0.00 -0.60 0.00 0.00 54.58 53.75 3h71 n ASN 625 Cb 0.45 -3.64 -0.06 0.00 -0.53 0.00 0.00 39.78 36.00 3h71 n ASN 625 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3h71 s ARG 626 N -4.72 4.51 -0.28 1.20 3.52 -1.00 -4.78 118.95 117.40 3h71 s ARG 626 Ca 0.00 1.12 -0.21 0.00 -0.13 0.00 0.00 55.73 56.52 3h71 s ARG 626 Cb 0.00 -3.13 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3h71 s ARG 626 CO 0.00 0.50 0.65 -0.65 -0.81 0.00 0.00 175.30 174.99 3h71 s GLN 627 N -1.44 4.01 -0.21 5.12 -1.52 -1.26 -1.31 119.66 123.05 3h71 s GLN 627 Ca 0.39 0.46 0.01 0.00 -1.95 0.00 0.00 55.36 54.27 3h71 s GLN 627 Cb -0.21 -3.69 0.05 0.00 -0.22 0.00 0.00 33.01 28.94 3h71 s GLN 627 CO 0.25 -0.51 -0.09 0.08 -0.25 0.00 0.00 175.29 174.77 3h71 s VAL 628 N 2.61 1.62 -1.47 1.09 1.01 0.26 -4.76 120.40 120.75 3h71 s VAL 628 Ca 0.27 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 3h71 s VAL 628 Cb -0.15 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3h71 s VAL 628 CO 0.10 0.07 0.81 0.47 0.00 0.00 0.00 175.10 176.55 3h71 n ASP 629 N 4.67 -5.84 0.00 3.32 8.00 -1.26 -2.11 116.55 123.33 3h71 n ASP 629 Ca -0.14 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 54.94 3h71 n ASP 629 Cb 0.46 -4.68 0.00 0.00 -0.02 0.00 0.00 41.12 36.87 3h71 n ASP 629 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h71 n GLY 630 N -1.65 1.22 3.22 0.44 0.00 -1.26 -5.05 105.19 102.11 3h71 n GLY 630 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 3h71 n GLY 630 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h71 s GLN 631 N -0.71 0.97 0.55 1.61 0.74 -0.90 -5.09 119.66 116.84 3h71 s GLN 631 Ca 0.00 -1.20 -0.14 0.00 0.05 0.00 0.00 55.36 54.07 3h71 s GLN 631 Cb 0.00 -0.83 -0.06 0.00 1.10 0.00 0.00 33.01 33.22 3h71 s GLN 631 CO 0.00 0.16 1.00 0.15 -0.55 0.00 0.00 175.29 176.04 3h71 s LYS 632 N -2.61 3.80 0.19 1.67 -0.14 -1.26 0.91 119.74 122.30 3h71 s LYS 632 Ca 0.07 0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 55.51 3h71 s LYS 632 Cb -0.05 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 3h71 s LYS 632 CO 0.02 -0.39 0.16 0.96 -0.76 0.00 0.00 175.35 175.34 3h71 s ILE 633 N -2.85 0.02 0.01 2.17 -4.36 -0.43 -4.86 121.20 110.91 3h71 s ILE 633 Ca 0.57 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 59.06 3h71 s ILE 633 Cb -0.10 -2.37 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 3h71 s ILE 633 CO 0.41 -0.09 -0.02 -2.28 0.24 0.00 0.00 174.94 173.19 3h71 s HIS 634 N -4.12 0.21 0.59 1.37 2.46 -1.25 -0.52 115.29 114.03 3h71 s HIS 634 Ca 0.34 -0.24 0.29 0.00 0.47 0.00 0.00 55.06 55.93 3h71 s HIS 634 Cb 0.06 -0.14 1.77 0.00 -0.13 0.00 0.00 32.58 34.14 3h71 s HIS 634 CO 0.10 -0.07 2.21 0.66 -2.47 0.00 0.00 174.74 175.17 3h71 h SER 635 N 5.47 0.00 1.15 9.88 4.64 -1.94 -2.09 113.55 130.66 3h71 h SER 635 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h71 h SER 635 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3h71 h SER 635 CO 0.47 0.00 -0.28 -1.54 -0.87 0.00 0.00 176.83 174.61 3h71 n SER 636 N -3.85 0.70 -3.04 4.97 3.41 -1.26 -4.45 113.62 110.10 3h71 n SER 636 Ca -0.02 0.35 -0.23 0.00 -0.26 0.00 0.00 58.87 58.70 3h71 n SER 636 Cb 0.14 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 3h71 n SER 636 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h71 n THR 637 N -2.12 1.78 0.00 6.66 -2.24 -0.79 -4.61 114.28 112.96 3h71 n THR 637 Ca 0.05 -5.18 0.00 0.00 -2.27 0.00 0.00 64.05 56.64 3h71 n THR 637 Cb 0.42 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 3h71 n THR 637 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3h71 n ASN 639 N -0.02 0.00 -3.41 3.42 2.85 -1.22 -4.91 115.26 111.98 3h71 n ASN 639 Ca 0.29 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.58 3h71 n ASN 639 Cb 0.50 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.42 3h71 n ASN 639 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3h71 s ASN 640 N 0.00 1.65 0.17 1.20 3.84 -0.34 -4.97 114.94 116.50 3h71 s ASN 640 Ca 0.00 -0.70 -0.18 0.00 0.21 0.00 0.00 52.86 52.19 3h71 s ASN 640 Cb 0.00 0.50 0.10 0.00 -0.55 0.00 0.00 41.25 41.30 3h71 s ASN 640 CO 0.00 -0.38 1.65 -0.09 -2.79 0.00 0.00 177.10 175.49 3h71 h ARG 641 N 8.27 -0.06 0.00 0.43 2.43 -1.77 -2.33 114.38 121.35 3h71 h ARG 641 Ca -0.14 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3h71 h ARG 641 Cb 1.08 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3h71 h ARG 641 CO 0.33 -0.04 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.48 3h71 h ARG 642 N -0.06 0.00 -0.00 0.20 9.65 -1.93 -2.70 114.38 119.54 3h71 h ARG 642 Ca 0.20 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3h71 h ARG 642 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3h71 h ARG 642 CO -0.45 0.19 -0.11 0.00 2.80 0.00 0.00 179.97 182.40 3h71 n ALA 643 N -2.30 2.76 -1.45 2.80 0.00 -0.89 -4.66 120.51 116.77 3h71 n ALA 643 Ca -0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 3h71 n ALA 643 Cb 0.31 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.49 3h71 n ALA 643 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h71 s GLN 644 N -2.45 2.61 -0.12 0.00 -0.21 -1.02 -4.97 119.66 113.50 3h71 s GLN 644 Ca 0.29 1.45 -0.06 0.00 0.02 0.00 0.00 55.36 57.07 3h71 s GLN 644 Cb 0.20 -1.92 0.05 0.00 1.00 0.00 0.00 33.01 32.34 3h71 s GLN 644 CO 0.47 -1.41 0.27 0.54 -2.12 0.00 0.00 175.29 173.04 3h71 s ASN 645 N -2.52 -0.29 0.00 5.90 2.20 -0.25 -4.54 114.94 115.43 3h71 s ASN 645 Ca 0.68 0.58 0.00 0.00 -0.94 0.00 0.00 52.86 53.18 3h71 s ASN 645 Cb -0.22 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.50 3h71 s ASN 645 CO 0.43 -0.17 0.00 0.35 -2.94 0.00 0.00 177.10 174.77 3h71 n THR 646 N 4.26 0.00 -1.85 0.54 -2.24 -0.19 -1.01 114.28 113.79 3h71 n THR 646 Ca -0.25 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 3h71 n THR 646 Cb 0.53 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 3h71 n THR 646 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h71 s GLU 647 N 2.44 3.59 0.22 -0.78 2.02 -1.26 -4.29 118.70 120.64 3h71 s GLU 647 Ca 0.00 2.31 -0.06 0.00 0.02 0.00 0.00 54.97 57.24 3h71 s GLU 647 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 3h71 s GLU 647 CO 0.00 -0.85 0.28 -1.54 0.02 0.00 0.00 175.26 173.17 3h71 s SER 648 N -0.69 0.05 -0.01 -0.19 1.04 -1.26 -0.73 113.70 111.90 3h71 s SER 648 Ca 0.63 -1.18 0.04 0.00 0.48 0.00 0.00 55.95 55.92 3h71 s SER 648 Cb -0.41 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 3h71 s SER 648 CO 0.52 -0.97 -0.14 0.28 0.98 0.00 0.00 173.24 173.91 3h71 s THR 649 N -4.09 1.13 -0.04 2.02 -1.32 -0.30 -4.71 115.64 108.32 3h71 s THR 649 Ca 0.31 -0.60 0.05 0.00 -1.21 0.00 0.00 61.69 60.24 3h71 s THR 649 Cb 0.04 -0.95 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 3h71 s THR 649 CO 0.10 0.32 -0.18 0.54 -2.21 0.00 0.00 174.62 173.20 3h71 s VAL 650 N -0.26 2.75 0.00 5.08 0.11 -1.26 -0.85 120.40 125.96 3h71 s VAL 650 Ca 0.04 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 3h71 s VAL 650 Cb -0.06 -2.05 -0.00 0.00 -1.53 0.00 0.00 36.38 32.74 3h71 s VAL 650 CO -0.00 0.58 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.66 3h71 s VAL 651 N -0.63 0.02 -0.10 2.04 1.01 -0.44 -4.75 120.40 117.56 3h71 s VAL 651 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 3h71 s VAL 651 Cb -0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3h71 s VAL 651 CO 0.00 -0.06 -0.02 -1.58 0.00 0.00 0.00 175.10 173.45 3h71 s GLN 652 N -0.17 3.09 0.58 2.72 0.74 -1.26 0.28 119.66 125.63 3h71 s GLN 652 Ca -0.02 -0.45 -0.01 0.00 0.05 0.00 0.00 55.36 54.93 3h71 s GLN 652 Cb -0.01 -2.79 0.04 0.00 1.10 0.00 0.00 33.01 31.35 3h71 s GLN 652 CO -0.00 0.60 0.83 -0.51 -0.55 0.00 0.00 175.29 175.66 3h71 s LEU 653 N -0.60 3.19 0.51 3.68 1.43 0.62 -4.87 118.68 122.63 3h71 s LEU 653 Ca 0.10 0.14 0.29 0.00 -1.03 0.00 0.00 54.13 53.63 3h71 s LEU 653 Cb -0.12 -2.96 1.24 0.00 0.03 0.00 0.00 46.19 44.38 3h71 s LEU 653 CO 0.02 -1.22 1.95 0.78 0.23 0.00 0.00 176.35 178.11 3h71 h ASN 654 N -0.07 0.00 -0.00 2.29 2.35 -1.97 -1.95 115.58 116.22 3h71 h ASN 654 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3h71 h ASN 654 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 3h71 h ASN 654 CO 0.55 0.11 0.00 -0.46 -1.65 0.00 0.00 177.43 175.98 3h71 n ASN 655 N -3.31 0.05 0.00 5.81 2.04 -1.26 -4.88 115.26 113.71 3h71 n ASN 655 Ca -0.00 -1.36 0.00 0.00 -0.44 0.00 0.00 54.58 52.78 3h71 n ASN 655 Cb 0.34 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.58 3h71 n ASN 655 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3h71 n GLY 656 N 0.83 2.94 3.76 4.83 0.00 -0.73 -5.02 105.19 111.80 3h71 n GLY 656 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3h71 n GLY 656 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h71 s ASP 657 N -1.25 5.36 -0.15 1.61 1.01 -1.26 -4.71 116.67 117.28 3h71 s ASP 657 Ca 0.00 2.28 -0.03 0.00 0.71 0.00 0.00 52.55 55.52 3h71 s ASP 657 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3h71 s ASP 657 CO 0.00 -1.47 -0.07 -0.69 0.21 0.00 0.00 175.17 173.15 3h71 s VAL 658 N -1.72 3.58 -0.11 -1.27 1.01 -0.29 -0.28 120.40 121.32 3h71 s VAL 658 Ca 0.75 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 3h71 s VAL 658 Cb -0.27 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3h71 s VAL 658 CO 0.32 0.50 -0.04 -0.54 0.00 0.00 0.00 175.10 175.34 3h71 s LYS 659 N 0.46 3.18 -0.24 2.72 -0.14 0.14 -0.62 119.74 125.24 3h71 s LYS 659 Ca -0.05 -0.49 0.02 0.00 -1.36 0.00 0.00 55.97 54.08 3h71 s LYS 659 Cb -0.15 -2.78 0.05 0.00 -1.68 0.00 0.00 37.83 33.27 3h71 s LYS 659 CO 0.03 0.51 -0.13 -1.17 -0.76 0.00 0.00 175.35 173.84 3h71 s LEU 660 N -0.38 3.04 0.47 3.17 2.96 0.08 -1.32 118.68 126.70 3h71 s LEU 660 Ca 0.06 -1.18 0.01 0.00 -0.22 0.00 0.00 54.13 52.80 3h71 s LEU 660 Cb -0.12 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.06 3h71 s LEU 660 CO 0.02 -0.14 0.69 -0.36 -1.32 0.00 0.00 176.35 175.24 3h71 s PHE 661 N 1.17 3.15 -0.10 5.38 0.40 -0.03 -1.07 117.98 126.88 3h71 s PHE 661 Ca -0.05 0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.49 3h71 s PHE 661 Cb -0.18 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 40.96 3h71 s PHE 661 CO -0.07 -0.45 -0.23 0.50 0.70 0.00 0.00 175.22 175.67 3h71 s ARG 663 N -4.58 2.93 0.00 0.44 3.52 0.09 -1.15 118.95 120.19 3h71 s ARG 663 Ca 0.50 -0.84 -0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3h71 s ARG 663 Cb -0.10 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 3h71 s ARG 663 CO 0.38 0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.45 3h71 n GLY 664 N 3.55 3.13 0.80 8.12 0.00 -1.26 -1.02 105.19 118.51 3h71 n GLY 664 Ca -0.19 -1.38 0.02 0.00 0.00 0.00 0.00 46.02 44.47 3h71 n GLY 664 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h71 n LEU 665 N 0.00 3.31 -0.25 0.99 4.77 -1.26 -4.07 117.00 120.48 3h71 n LEU 665 Ca 0.00 -3.77 0.11 0.00 -0.03 0.00 0.00 56.01 52.33 3h71 n LEU 665 Cb 0.00 -0.57 0.07 0.00 -2.33 0.00 0.00 43.42 40.60 3h71 n LEU 665 CO 0.00 1.27 0.29 0.35 -1.33 0.00 0.00 177.39 177.98 3h71 n THR 666 N -1.12 0.00 0.00 -5.08 -2.24 -1.26 -4.96 114.28 99.62 3h71 n THR 666 Ca 0.25 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3h71 n THR 666 Cb 0.84 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 3h71 n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h71 n GLY 667 N 1.44 2.06 3.27 3.38 0.00 -1.25 -5.00 105.19 109.08 3h71 n GLY 667 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 3h71 n GLY 667 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h71 s ASP 668 N -2.71 0.95 0.04 1.61 1.47 -1.26 -1.50 116.67 115.26 3h71 s ASP 668 Ca 0.00 -1.49 -0.30 0.00 1.18 0.00 0.00 52.55 51.93 3h71 s ASP 668 Cb 0.00 0.38 -0.08 0.00 -0.34 0.00 0.00 42.92 42.88 3h71 s ASP 668 CO 0.00 -0.87 1.65 -0.22 0.68 0.00 0.00 175.17 176.41 3h71 s LEU 669 N -3.28 4.36 -0.15 2.11 2.96 0.38 -4.52 118.68 120.53 3h71 s LEU 669 Ca 0.38 2.42 -0.04 0.00 -0.22 0.00 0.00 54.13 56.68 3h71 s LEU 669 Cb 0.06 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 3h71 s LEU 669 CO 0.16 -0.89 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.17 3h71 s GLN 670 N 2.94 3.61 -0.05 1.98 -0.21 -1.26 -0.36 119.66 126.31 3h71 s GLN 670 Ca 0.74 -0.50 0.01 0.00 0.02 0.00 0.00 55.36 55.62 3h71 s GLN 670 Cb -0.38 -2.91 0.02 0.00 1.00 0.00 0.00 33.01 30.74 3h71 s GLN 670 CO 0.32 0.29 -0.06 0.08 -2.12 0.00 0.00 175.29 173.79 3h71 s VAL 671 N 0.24 0.70 0.16 1.09 1.01 0.11 -4.44 120.40 119.26 3h71 s VAL 671 Ca -0.02 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.80 3h71 s VAL 671 Cb -0.14 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3h71 s VAL 671 CO 0.03 0.26 0.13 0.00 0.00 0.00 0.00 175.10 175.52 3h71 s ALA 672 N 0.89 3.55 -0.03 5.51 0.00 -0.23 -1.22 121.76 130.22 3h71 s ALA 672 Ca -0.11 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.66 3h71 s ALA 672 Cb -0.15 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 3h71 s ALA 672 CO 0.01 0.50 -0.15 0.99 0.00 0.00 0.00 175.76 177.11 3h71 s THR 673 N -1.75 1.24 -0.09 0.00 2.01 -1.26 -0.74 115.64 115.05 3h71 s THR 673 Ca 0.31 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.73 3h71 s THR 673 Cb -0.10 -1.07 -0.00 0.00 0.01 0.00 0.00 72.50 71.34 3h71 s THR 673 CO 0.23 0.36 -0.24 -0.55 -0.69 0.00 0.00 174.62 173.73 3h71 s SER 674 N 0.03 3.07 0.00 3.53 0.15 0.21 -0.42 113.70 120.26 3h71 s SER 674 Ca -0.02 -0.55 0.24 0.00 0.70 0.00 0.00 55.95 56.32 3h71 s SER 674 Cb -0.10 -1.31 0.24 0.00 -1.71 0.00 0.00 66.02 63.14 3h71 s SER 674 CO 0.01 0.17 1.25 0.29 1.20 0.00 0.00 173.24 176.16 3h71 n LYS 675 N 3.43 1.28 -2.28 5.44 4.76 -1.26 -1.14 118.16 128.38 3h71 n LYS 675 Ca -0.19 -0.99 -0.21 0.00 -2.87 0.00 0.00 58.31 54.05 3h71 n LYS 675 Cb 0.53 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.26 3h71 n LYS 675 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3h71 n ASP 676 N 0.01 4.25 -0.36 4.39 5.68 -1.26 -4.92 116.55 124.33 3h71 n ASP 676 Ca 0.11 -3.46 -0.05 0.00 -0.50 0.00 0.00 54.79 50.89 3h71 n ASP 676 Cb 0.45 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 3h71 n ASP 676 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h71 n GLY 677 N -0.60 0.73 0.30 6.12 0.00 -1.26 -3.67 105.19 106.81 3h71 n GLY 677 Ca 0.36 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3h71 n GLY 677 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h71 n GLY 678 N -2.14 0.77 0.08 -0.02 0.00 -1.26 -5.00 105.19 97.62 3h71 n GLY 678 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3h71 n GLY 678 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h71 h VAL 679 N 0.00 1.75 -2.09 1.61 2.07 -1.92 -3.40 116.25 114.27 3h71 h VAL 679 Ca 0.00 -2.34 -0.61 0.00 0.82 0.00 0.00 66.70 64.57 3h71 h VAL 679 Cb 0.00 3.33 -0.14 0.00 -1.52 0.00 0.00 31.29 32.96 3h71 h VAL 679 CO 0.00 0.61 -0.72 0.42 0.02 0.00 0.00 177.57 177.91 3h71 s THR 680 N -2.32 2.34 -0.02 2.57 -4.23 -1.26 0.16 115.64 112.88 3h71 s THR 680 Ca -0.18 -2.30 0.05 0.00 -1.18 0.00 0.00 61.69 58.08 3h71 s THR 680 Cb -0.02 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 3h71 s THR 680 CO 0.71 -0.30 -0.18 0.26 -0.54 0.00 0.00 174.62 174.57 3h71 s TRP 681 N -2.57 1.66 0.87 3.99 0.52 -1.26 -4.27 118.94 117.87 3h71 s TRP 681 Ca 0.31 -0.33 -0.12 0.00 0.02 0.00 0.00 56.10 55.98 3h71 s TRP 681 Cb -0.01 -1.07 0.10 0.00 -1.15 0.00 0.00 33.47 31.34 3h71 s TRP 681 CO 0.16 -0.05 1.06 0.39 0.02 0.00 0.00 176.95 178.53 3h71 n GLU 682 N 2.69 -0.16 -0.06 4.98 -0.58 0.44 -4.93 120.64 123.03 3h71 n GLU 682 Ca -0.15 0.03 -0.01 0.00 -0.42 0.00 0.00 57.16 56.60 3h71 n GLU 682 Cb 0.54 -2.32 0.26 0.00 -0.57 0.00 0.00 31.44 29.34 3h71 n GLU 682 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 3h71 h LYS 683 N -1.40 0.67 -5.22 3.49 2.10 -1.97 -3.43 116.57 110.81 3h71 h LYS 683 Ca -0.44 -0.13 -0.62 0.00 -2.00 0.00 0.00 60.65 57.45 3h71 h LYS 683 Cb 1.29 -0.10 -0.14 0.00 -0.90 0.00 0.00 32.23 32.37 3h71 h LYS 683 CO 0.42 0.63 -0.21 -0.51 -2.00 0.00 0.00 179.45 177.78 3h71 s ASP 684 N -6.66 6.30 -0.29 7.07 1.01 -1.26 -4.78 116.67 118.06 3h71 s ASP 684 Ca -0.09 0.35 -0.22 0.00 0.71 0.00 0.00 52.55 53.30 3h71 s ASP 684 Cb 0.16 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 3h71 s ASP 684 CO 0.78 -0.17 0.70 -0.63 0.21 0.00 0.00 175.17 176.06 3h71 s ILE 685 N 1.94 4.88 0.19 0.77 1.09 -1.26 -4.72 121.20 124.09 3h71 s ILE 685 Ca 0.16 1.07 -0.29 0.00 -1.10 0.00 0.00 60.65 60.50 3h71 s ILE 685 Cb -0.16 -4.05 -0.08 0.00 -1.06 0.00 0.00 42.46 37.11 3h71 s ILE 685 CO 0.09 -0.15 0.90 -0.75 -0.10 0.00 0.00 174.94 174.93 3h71 s LYS 686 N 2.74 4.74 -0.08 2.79 2.47 -0.36 -4.84 119.74 127.22 3h71 s LYS 686 Ca 0.29 1.39 0.03 0.00 -1.56 0.00 0.00 55.97 56.12 3h71 s LYS 686 Cb -0.15 -3.30 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 3h71 s LYS 686 CO 0.11 0.46 -0.18 1.03 0.16 0.00 0.00 175.35 176.93 3h71 s ARG 687 N -0.87 2.78 -0.42 4.03 0.52 -1.26 0.06 118.95 123.79 3h71 s ARG 687 Ca 0.41 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.87 3h71 s ARG 687 Cb -0.25 -2.38 0.11 0.00 0.52 0.00 0.00 34.95 32.96 3h71 s ARG 687 CO 0.30 0.42 0.16 0.71 0.02 0.00 0.00 175.30 176.91 3h71 s TYR 688 N -0.23 3.58 0.65 -0.53 2.02 0.51 -4.95 117.35 118.41 3h71 s TYR 688 Ca -0.00 -2.88 0.38 0.00 -0.37 0.00 0.00 57.07 54.20 3h71 s TYR 688 Cb -0.13 -3.00 2.08 0.00 -0.40 0.00 0.00 41.96 40.51 3h71 s TYR 688 CO 0.03 -0.91 2.21 -1.35 -1.57 0.00 0.00 175.55 173.96 3h71 h PRO 689 N 7.44 0.00 0.00 -1.71 0.11 -1.96 -0.45 132.00 135.44 3h71 h PRO 689 Ca -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3h71 h PRO 689 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3h71 h PRO 689 CO 0.61 0.00 -0.14 1.96 -0.21 0.00 0.00 178.00 180.22 3h71 h GLN 690 N 0.00 0.00 -4.87 1.05 7.50 -1.97 -3.39 115.11 113.43 3h71 h GLN 690 Ca 0.01 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.49 3h71 h GLN 690 Cb 0.25 0.00 -0.35 0.00 0.05 0.00 0.00 27.48 27.43 3h71 h GLN 690 CO -0.00 0.14 -0.78 0.08 -1.50 0.00 0.00 178.83 176.77 3h71 s VAL 691 N -4.32 2.39 0.54 -0.54 1.01 -0.18 -5.07 120.40 114.23 3h71 s VAL 691 Ca -0.03 -1.46 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 3h71 s VAL 691 Cb 0.14 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 3h71 s VAL 691 CO 0.62 0.03 1.08 -0.75 0.00 0.00 0.00 175.10 176.08 3h71 s LYS 692 N 1.17 3.49 -0.19 2.72 2.20 -1.26 -0.47 119.74 127.40 3h71 s LYS 692 Ca -0.06 1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 56.93 3h71 s LYS 692 Cb -0.19 -2.04 0.06 0.00 -1.51 0.00 0.00 37.83 34.15 3h71 s LYS 692 CO -0.05 -0.70 0.06 0.34 -0.36 0.00 0.00 175.35 174.64 3h71 s ASP 693 N -2.11 2.69 -0.08 1.43 2.15 -0.56 -4.63 116.67 115.56 3h71 s ASP 693 Ca 0.68 -0.74 0.08 0.00 0.43 0.00 0.00 52.55 53.00 3h71 s ASP 693 Cb -0.19 -0.46 0.36 0.00 -0.30 0.00 0.00 42.92 42.33 3h71 s ASP 693 CO 0.27 -0.32 1.14 1.33 -0.17 0.00 0.00 175.17 177.41 3h71 n VAL 694 N 5.14 1.04 -2.01 1.11 0.24 -1.26 -3.88 118.33 118.70 3h71 n VAL 694 Ca -0.08 -0.59 -0.01 0.00 -2.04 0.00 0.00 64.34 61.61 3h71 n VAL 694 Cb 0.48 -0.20 0.01 0.00 -1.47 0.00 0.00 33.84 32.65 3h71 n VAL 694 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h71 n TYR 695 N 0.36 -0.91 -3.65 6.34 9.36 -1.26 -4.93 117.16 122.48 3h71 n TYR 695 Ca 0.13 0.34 -0.11 0.00 3.32 0.00 0.00 57.90 61.57 3h71 n TYR 695 Cb 0.57 -2.52 -0.05 0.00 -0.63 0.00 0.00 39.34 36.71 3h71 n TYR 695 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3h71 s VAL 696 N -3.03 0.07 1.40 2.97 0.11 -1.26 -5.00 120.40 115.65 3h71 s VAL 696 Ca 0.04 -0.55 -0.22 0.00 -2.93 0.00 0.00 61.98 58.32 3h71 s VAL 696 Cb -0.01 -1.11 0.36 0.00 -1.53 0.00 0.00 36.38 34.10 3h71 s VAL 696 CO 0.24 -0.30 0.94 -1.58 -3.33 0.00 0.00 175.10 171.07 3h71 s GLN 697 N -3.41 -2.78 -0.02 1.54 -0.44 -1.26 -4.74 119.66 108.56 3h71 s GLN 697 Ca 0.01 0.16 -0.25 0.00 -2.50 0.00 0.00 55.36 52.78 3h71 s GLN 697 Cb 0.01 -1.39 0.05 0.00 -1.64 0.00 0.00 33.01 30.04 3h71 s GLN 697 CO -0.09 -4.78 0.55 -1.54 0.50 0.00 0.00 175.29 169.93 3h71 s SER 699 N -3.15 -0.50 -0.03 6.67 1.04 -1.06 -4.58 113.70 112.09 3h71 s SER 699 Ca 0.69 0.43 -0.13 0.00 0.48 0.00 0.00 55.95 57.42 3h71 s SER 699 Cb -0.14 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.48 3h71 s SER 699 CO 0.58 -0.60 0.28 0.00 0.98 0.00 0.00 173.24 174.48 3h71 s ALA 700 N -1.56 -0.70 0.03 5.32 0.00 -1.26 -0.99 121.76 122.61 3h71 s ALA 700 Ca -0.10 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 3h71 s ALA 700 Cb -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3h71 s ALA 700 CO 0.06 -0.23 -0.03 0.96 0.00 0.00 0.00 175.76 176.51 3h71 s ILE 701 N -1.04 0.18 0.33 0.00 -4.36 0.03 -4.72 121.20 111.61 3h71 s ILE 701 Ca -0.11 -1.16 -0.18 0.00 -0.26 0.00 0.00 60.65 58.94 3h71 s ILE 701 Cb -0.05 -0.62 -0.09 0.00 1.25 0.00 0.00 42.46 42.95 3h71 s ILE 701 CO 0.03 -0.62 0.79 -2.28 0.24 0.00 0.00 174.94 173.10 3h71 s HIS 702 N -2.10 3.43 0.00 1.37 5.65 -1.26 -1.37 115.29 121.00 3h71 s HIS 702 Ca -0.09 1.37 0.00 0.00 0.25 0.00 0.00 55.06 56.58 3h71 s HIS 702 Cb -0.05 -2.64 0.00 0.00 -1.18 0.00 0.00 32.58 28.71 3h71 s HIS 702 CO -0.03 0.10 0.00 -2.37 -0.65 0.00 0.00 174.74 171.79 3h71 n THR 703 N -0.18 0.00 0.00 0.89 5.66 -0.71 -4.92 114.28 115.02 3h71 n THR 703 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 3h71 n THR 703 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 3h71 n THR 703 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3h71 n HIS 705 N 0.00 0.00 -3.96 1.09 -0.00 0.30 -0.84 115.22 111.81 3h71 n HIS 705 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.45 3h71 n HIS 705 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 3h71 n HIS 705 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h71 n GLU 706 N 0.00 -3.77 -0.91 1.57 1.02 -1.26 -0.75 120.64 116.54 3h71 n GLU 706 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3h71 n GLU 706 Cb 0.00 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 26.58 3h71 n GLU 706 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h71 n GLY 707 N -1.79 0.62 3.65 0.62 0.00 -1.26 -5.01 105.19 102.03 3h71 n GLY 707 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3h71 n GLY 707 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 708 N -0.34 2.65 -0.12 1.61 1.02 0.07 -5.11 119.74 119.52 3h71 s LYS 708 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 3h71 s LYS 708 Cb 0.00 -2.58 -0.05 0.00 -0.52 0.00 0.00 37.83 34.68 3h71 s LYS 708 CO 0.00 0.60 0.30 -2.00 -0.92 0.00 0.00 175.35 173.33 3h71 s GLU 709 N -1.62 4.05 0.28 1.68 2.12 -1.26 -0.54 118.70 123.41 3h71 s GLU 709 Ca 0.19 0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.70 3h71 s GLU 709 Cb -0.11 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 3h71 s GLU 709 CO 0.10 0.42 0.22 0.71 -0.54 0.00 0.00 175.26 176.18 3h71 s TYR 710 N -0.11 1.51 -0.01 5.30 2.02 -0.02 -1.15 117.35 124.88 3h71 s TYR 710 Ca 0.18 -1.54 0.00 0.00 -0.37 0.00 0.00 57.07 55.34 3h71 s TYR 710 Cb -0.14 -0.64 0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3h71 s TYR 710 CO 0.06 -0.78 0.00 0.42 -1.57 0.00 0.00 175.55 173.68 3h71 s ILE 711 N -3.73 0.06 -0.12 2.71 1.01 -0.33 -1.75 121.20 119.05 3h71 s ILE 711 Ca 0.40 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.11 3h71 s ILE 711 Cb 0.04 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 3h71 s ILE 711 CO 0.21 0.07 -0.11 -0.63 0.00 0.00 0.00 174.94 174.49 3h71 s ILE 712 N 0.57 3.30 -0.03 2.92 1.01 -0.47 -1.28 121.20 127.22 3h71 s ILE 712 Ca -0.05 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3h71 s ILE 712 Cb -0.08 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 40.01 3h71 s ILE 712 CO -0.01 0.53 -0.06 -0.22 0.00 0.00 0.00 174.94 175.17 3h71 s LEU 713 N 0.17 1.67 -0.05 2.97 0.20 -0.09 -0.79 118.68 122.76 3h71 s LEU 713 Ca -0.06 -0.14 0.05 0.00 0.69 0.00 0.00 54.13 54.67 3h71 s LEU 713 Cb -0.15 -0.43 -0.00 0.00 -0.43 0.00 0.00 46.19 45.18 3h71 s LEU 713 CO 0.04 0.02 -0.19 -0.55 -0.29 0.00 0.00 176.35 175.38 3h71 s SER 714 N 0.38 2.42 0.28 3.68 0.15 -0.16 0.81 113.70 121.27 3h71 s SER 714 Ca -0.05 -0.40 -0.20 0.00 0.70 0.00 0.00 55.95 56.00 3h71 s SER 714 Cb -0.09 -0.69 0.06 0.00 -1.71 0.00 0.00 66.02 63.59 3h71 s SER 714 CO 0.00 0.18 0.88 0.54 1.20 0.00 0.00 173.24 176.04 3h71 s ASN 715 N 0.00 -0.05 0.40 5.45 6.03 -1.26 -2.57 114.94 122.94 3h71 s ASN 715 Ca -0.04 -0.84 -0.26 0.00 -1.03 0.00 0.00 52.86 50.69 3h71 s ASN 715 Cb -0.12 0.68 -0.09 0.00 -3.03 0.00 0.00 41.25 38.69 3h71 s ASN 715 CO 0.03 -1.34 1.24 0.00 -2.03 0.00 0.00 177.10 175.00 3h71 s ALA 716 N -2.60 3.21 -0.56 3.54 0.00 -1.26 -4.55 121.76 119.53 3h71 s ALA 716 Ca 0.16 1.10 0.23 0.00 0.00 0.00 0.00 51.96 53.46 3h71 s ALA 716 Cb -0.04 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.75 3h71 s ALA 716 CO 0.08 -0.68 1.08 0.41 0.00 0.00 0.00 175.76 176.65 3h71 n GLY 717 N 0.67 -1.27 0.81 0.00 0.00 0.42 -4.65 105.19 101.16 3h71 n GLY 717 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3h71 n GLY 717 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h71 n GLY 718 N 1.34 -3.07 0.27 -0.02 0.00 -0.79 -4.92 105.19 98.00 3h71 n GLY 718 Ca 0.02 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.22 3h71 n GLY 718 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h71 h PRO 719 N 0.00 0.37 0.00 1.61 0.11 -1.98 -3.41 132.00 128.70 3h71 h PRO 719 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3h71 h PRO 719 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3h71 h PRO 719 CO 0.00 0.25 0.00 1.63 -0.21 0.00 0.00 178.00 179.67 3h71 n LYS 720 N -5.05 3.43 -2.48 1.05 5.02 -1.26 -4.93 118.16 113.95 3h71 n LYS 720 Ca 0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.99 3h71 n LYS 720 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 3h71 n LYS 720 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h71 n ARG 721 N 0.00 3.26 -3.89 1.97 1.74 -1.26 -4.67 116.66 113.81 3h71 n ARG 721 Ca 0.00 -3.36 -0.09 0.00 -0.77 0.00 0.00 57.85 53.63 3h71 n ARG 721 Cb 0.00 -3.21 -0.04 0.00 -1.02 0.00 0.00 32.46 28.19 3h71 n ARG 721 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3h71 s GLU 722 N 2.50 1.58 -0.72 5.56 -1.05 -1.20 -1.06 118.70 124.31 3h71 s GLU 722 Ca 0.47 -1.06 -0.02 0.00 -0.15 0.00 0.00 54.97 54.20 3h71 s GLU 722 Cb 0.05 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 3h71 s GLU 722 CO 0.01 -0.69 0.68 0.09 0.95 0.00 0.00 175.26 176.31 3h71 n ASN 723 N -0.40 -7.54 -3.97 0.83 3.02 0.53 -1.88 115.26 105.86 3h71 n ASN 723 Ca -0.05 -0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.12 3h71 n ASN 723 Cb 0.61 -4.97 0.27 0.00 -0.61 0.00 0.00 39.78 35.08 3h71 n ASN 723 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h71 n GLY 724 N -1.61 -2.85 3.28 7.41 0.00 -0.08 -0.44 105.19 110.90 3h71 n GLY 724 Ca -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.69 3h71 n GLY 724 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h71 s VAL 726 N -2.26 -0.96 -0.12 1.61 1.01 -0.06 -0.44 120.40 119.18 3h71 s VAL 726 Ca 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.53 3h71 s VAL 726 Cb -0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3h71 s VAL 726 CO 0.61 0.00 0.22 -1.00 0.00 0.00 0.00 175.10 174.93 3h71 s HIS 727 N 2.87 3.56 -0.14 5.22 0.09 0.24 -1.88 115.29 125.25 3h71 s HIS 727 Ca 0.13 0.60 -0.01 0.00 -0.00 0.00 0.00 55.06 55.78 3h71 s HIS 727 Cb -0.14 -2.13 -0.02 0.00 -0.00 0.00 0.00 32.58 30.29 3h71 s HIS 727 CO -0.20 0.54 -0.11 -1.17 -0.00 0.00 0.00 174.74 173.79 3h71 s LEU 728 N -0.48 2.80 -0.01 0.89 2.96 0.01 -0.91 118.68 123.94 3h71 s LEU 728 Ca 0.16 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3h71 s LEU 728 Cb -0.13 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3h71 s LEU 728 CO 0.05 0.16 -0.13 0.00 -1.32 0.00 0.00 176.35 175.11 3h71 s ALA 729 N 0.40 1.05 0.01 5.97 0.00 -0.40 -0.21 121.76 128.58 3h71 s ALA 729 Ca -0.09 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 3h71 s ALA 729 Cb -0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3h71 s ALA 729 CO 0.05 0.25 0.63 0.50 0.00 0.00 0.00 175.76 177.19 3h71 s ARG 730 N -0.34 4.35 -0.37 0.00 6.06 0.18 -1.18 118.95 127.65 3h71 s ARG 730 Ca 0.05 0.80 -0.15 0.00 -2.50 0.00 0.00 55.73 53.93 3h71 s ARG 730 Cb -0.05 -3.35 -0.00 0.00 0.06 0.00 0.00 34.95 31.61 3h71 s ARG 730 CO -0.00 0.35 0.33 0.08 -2.50 0.00 0.00 175.30 173.56 3h71 s VAL 731 N -0.16 5.20 0.89 7.11 1.01 -0.30 -1.83 120.40 132.32 3h71 s VAL 731 Ca 0.32 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 3h71 s VAL 731 Cb -0.19 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.47 3h71 s VAL 731 CO 0.18 -0.17 1.15 -1.61 0.00 0.00 0.00 175.10 174.66 3h71 s GLU 732 N 1.89 1.29 0.57 2.72 0.41 -0.64 -4.66 118.70 120.27 3h71 s GLU 732 Ca 0.09 0.21 0.27 0.00 -0.41 0.00 0.00 54.97 55.13 3h71 s GLU 732 Cb -0.17 -1.86 1.68 0.00 -1.78 0.00 0.00 34.13 31.99 3h71 s GLU 732 CO 0.11 -2.08 2.22 0.93 -0.49 0.00 0.00 175.26 175.95 3h71 h GLU 733 N -1.41 0.00 -0.26 1.61 5.08 -1.98 -1.43 114.58 116.19 3h71 h GLU 733 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3h71 h GLU 733 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3h71 h GLU 733 CO 0.62 0.01 0.00 0.27 -1.00 0.00 0.00 179.01 178.91 3h71 n ASN 734 N -3.97 2.24 0.00 1.42 6.94 -1.26 -4.88 115.26 115.76 3h71 n ASN 734 Ca -0.03 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 3h71 n ASN 734 Cb 0.10 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 3h71 n ASN 734 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h71 n GLY 735 N 1.24 1.32 3.78 4.83 0.00 -0.54 -5.04 105.19 110.79 3h71 n GLY 735 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3h71 n GLY 735 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 736 N -0.44 3.21 -0.06 1.61 0.41 -1.26 -4.75 118.70 117.41 3h71 s GLU 736 Ca 0.00 1.40 0.00 0.00 -0.41 0.00 0.00 54.97 55.96 3h71 s GLU 736 Cb 0.00 -2.00 -0.03 0.00 -1.78 0.00 0.00 34.13 30.31 3h71 s GLU 736 CO 0.00 -0.92 -0.03 -0.51 -0.49 0.00 0.00 175.26 173.30 3h71 s LEU 737 N -4.30 3.37 -0.25 1.80 1.43 -1.26 -1.62 118.68 117.84 3h71 s LEU 737 Ca 0.68 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3h71 s LEU 737 Cb -0.20 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.31 3h71 s LEU 737 CO 0.34 0.35 -0.02 -0.89 0.23 0.00 0.00 176.35 176.36 3h71 s THR 738 N -0.88 1.45 -0.14 5.49 2.01 -0.76 -4.96 115.64 117.84 3h71 s THR 738 Ca 0.14 -1.30 -0.29 0.00 0.31 0.00 0.00 61.69 60.54 3h71 s THR 738 Cb -0.11 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 3h71 s THR 738 CO 0.03 -0.23 1.37 0.26 -0.69 0.00 0.00 174.62 175.37 3h71 s TRP 739 N 1.41 2.60 -0.26 4.92 0.52 -1.26 -0.65 118.94 126.21 3h71 s TRP 739 Ca -0.02 0.77 -0.15 0.00 0.02 0.00 0.00 56.10 56.72 3h71 s TRP 739 Cb -0.19 -3.63 -0.14 0.00 -1.15 0.00 0.00 33.47 28.37 3h71 s TRP 739 CO -0.09 -2.31 -0.23 1.28 0.02 0.00 0.00 176.95 175.62 3h71 n LEU 740 N 6.78 1.96 -4.16 2.99 4.77 0.71 -4.97 117.00 125.08 3h71 n LEU 740 Ca 0.15 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.34 3h71 n LEU 740 Cb 0.44 -0.86 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 3h71 n LEU 740 CO 0.58 0.52 -0.41 -0.54 -1.33 0.00 0.00 177.39 176.21 3h71 s LYS 741 N -2.48 0.80 -0.27 3.23 3.01 -1.12 -4.99 119.74 117.92 3h71 s LYS 741 Ca -0.37 -1.14 -0.04 0.00 -1.01 0.00 0.00 55.97 53.42 3h71 s LYS 741 Cb 0.13 -0.44 0.10 0.00 -1.01 0.00 0.00 37.83 36.60 3h71 s LYS 741 CO 0.52 0.06 0.14 -1.01 0.51 0.00 0.00 175.35 175.57 3h71 s HIS 742 N -2.52 0.21 -0.07 3.18 3.76 -1.26 -0.81 115.29 117.77 3h71 s HIS 742 Ca 0.05 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.30 3h71 s HIS 742 Cb -0.02 -0.81 -0.01 0.00 1.11 0.00 0.00 32.58 32.84 3h71 s HIS 742 CO -0.01 -0.79 -0.21 -0.80 -0.85 0.00 0.00 174.74 172.09 3h71 s ASN 743 N 2.14 3.43 0.33 1.40 0.01 -0.79 -4.94 114.94 116.52 3h71 s ASN 743 Ca 0.08 -0.42 -0.29 0.00 -0.71 0.00 0.00 52.86 51.52 3h71 s ASN 743 Cb -0.16 -1.04 -0.10 0.00 0.41 0.00 0.00 41.25 40.36 3h71 s ASN 743 CO -0.32 0.24 1.29 -2.16 -1.51 0.00 0.00 177.10 174.64 3h71 s PRO 744 N -0.12 4.38 0.00 -0.60 0.04 -1.26 -0.88 135.00 136.56 3h71 s PRO 744 Ca -0.04 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3h71 s PRO 744 Cb -0.14 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3h71 s PRO 744 CO 0.04 -0.15 0.00 1.51 0.04 0.00 0.00 177.00 178.44 3h71 n ILE 745 N 0.86 0.00 -3.32 0.56 3.06 0.41 -4.89 119.36 116.04 3h71 n ILE 745 Ca -0.00 -0.02 -0.01 0.00 -2.50 0.00 0.00 62.75 60.22 3h71 n ILE 745 Cb 0.42 0.41 -0.04 0.00 0.54 0.00 0.00 39.64 40.97 3h71 n ILE 745 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3h71 s GLN 746 N -1.46 0.50 0.81 9.51 2.00 -1.20 -4.98 119.66 124.84 3h71 s GLN 746 Ca 0.00 0.99 -0.11 0.00 -2.00 0.00 0.00 55.36 54.24 3h71 s GLN 746 Cb 0.00 0.38 0.08 0.00 0.80 0.00 0.00 33.01 34.26 3h71 s GLN 746 CO 0.00 -0.52 1.09 -1.59 -0.50 0.00 0.00 175.29 173.77 3h71 s LYS 747 N 2.78 2.00 2.25 1.67 -2.85 -1.26 -0.91 119.74 123.42 3h71 s LYS 747 Ca 0.13 0.87 0.00 0.00 -1.00 0.00 0.00 55.97 55.96 3h71 s LYS 747 Cb -0.14 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 3h71 s LYS 747 CO -0.19 -1.74 0.00 0.41 0.10 0.00 0.00 175.35 173.93 3h71 n GLY 748 N -1.57 -0.81 3.64 0.59 0.00 -1.26 -4.70 105.19 101.07 3h71 n GLY 748 Ca 0.08 -1.17 -0.47 0.00 0.00 0.00 0.00 46.02 44.45 3h71 n GLY 748 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h71 n GLU 749 N -0.03 1.74 -3.67 1.61 -0.58 -1.26 -0.34 120.64 118.10 3h71 n GLU 749 Ca 0.00 0.62 -0.08 0.00 -0.42 0.00 0.00 57.16 57.28 3h71 n GLU 749 Cb 0.00 -2.28 -0.09 0.00 -0.57 0.00 0.00 31.44 28.50 3h71 n GLU 749 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3h71 s PHE 750 N 0.32 -0.83 0.00 -0.32 5.36 -0.23 -4.09 117.98 118.19 3h71 s PHE 750 Ca 0.75 1.63 0.00 0.00 -0.96 0.00 0.00 56.93 58.36 3h71 s PHE 750 Cb -0.75 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.33 3h71 s PHE 750 CO 0.46 -0.46 0.00 0.00 -1.46 0.00 0.00 175.22 173.76 3h71 n ALA 751 N 4.75 0.00 -1.75 11.12 0.00 -0.81 -3.26 120.51 130.56 3h71 n ALA 751 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 3h71 n ALA 751 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 3h71 n ALA 751 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h71 s TYR 752 N 2.71 2.37 0.18 0.00 1.51 -1.26 -4.62 117.35 118.24 3h71 s TYR 752 Ca 0.00 1.43 -0.16 0.00 -1.01 0.00 0.00 57.07 57.33 3h71 s TYR 752 Cb 0.00 -3.68 0.03 0.00 -0.11 0.00 0.00 41.96 38.20 3h71 s TYR 752 CO 0.00 -2.58 0.47 0.54 -1.11 0.00 0.00 175.55 172.87 3h71 s ASN 753 N -1.16 -0.22 -0.12 2.29 4.22 -1.26 -0.50 114.94 118.18 3h71 s ASN 753 Ca 0.72 -0.49 -0.04 0.00 -2.14 0.00 0.00 52.86 50.91 3h71 s ASN 753 Cb -0.37 0.54 0.06 0.00 1.28 0.00 0.00 41.25 42.77 3h71 s ASN 753 CO 0.43 -1.00 0.22 -0.55 -2.04 0.00 0.00 177.10 174.16 3h71 s SER 754 N -2.87 0.62 0.13 3.54 0.15 0.43 -4.18 113.70 111.52 3h71 s SER 754 Ca 0.09 0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.10 3h71 s SER 754 Cb 0.00 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 3h71 s SER 754 CO -0.04 -0.25 0.35 -0.76 1.20 0.00 0.00 173.24 173.74 3h71 s LEU 755 N 2.36 4.28 -0.11 3.45 1.43 -1.26 -1.46 118.68 127.37 3h71 s LEU 755 Ca 0.03 0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 3h71 s LEU 755 Cb -0.12 -3.25 0.03 0.00 0.03 0.00 0.00 46.19 42.87 3h71 s LEU 755 CO -0.08 0.07 0.35 -1.10 0.23 0.00 0.00 176.35 175.81 3h71 s GLN 756 N -2.67 0.46 0.04 1.70 -1.52 -0.41 -4.89 119.66 112.38 3h71 s GLN 756 Ca 0.40 0.36 -0.24 0.00 -1.95 0.00 0.00 55.36 53.93 3h71 s GLN 756 Cb -0.12 0.22 -0.05 0.00 -0.22 0.00 0.00 33.01 32.83 3h71 s GLN 756 CO 0.25 -0.08 0.74 -2.00 -0.25 0.00 0.00 175.29 173.96 3h71 s GLU 757 N -0.10 4.47 -0.01 2.91 2.12 -1.26 -0.04 118.70 126.78 3h71 s GLU 757 Ca -0.03 1.02 0.19 0.00 0.36 0.00 0.00 54.97 56.51 3h71 s GLU 757 Cb -0.03 -3.36 -0.26 0.00 0.26 0.00 0.00 34.13 30.74 3h71 s GLU 757 CO 0.01 0.29 0.61 1.28 -0.54 0.00 0.00 175.26 176.92 3h71 n LEU 758 N 2.80 0.43 0.00 2.70 4.77 -0.03 -4.88 117.00 122.79 3h71 n LEU 758 Ca -0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3h71 n LEU 758 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3h71 n LEU 758 CO 0.47 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3h71 n GLY 759 N 1.42 1.39 2.43 -0.72 0.00 -1.11 -4.89 105.19 103.70 3h71 n GLY 759 Ca -0.00 -1.97 -0.19 0.00 0.00 0.00 0.00 46.02 43.85 3h71 n GLY 759 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h71 n ASN 760 N -0.05 -5.37 -0.00 1.61 5.15 -1.26 -0.90 115.26 114.43 3h71 n ASN 760 Ca 0.00 0.17 -0.00 0.00 -0.60 0.00 0.00 54.58 54.15 3h71 n ASN 760 Cb 0.00 -4.58 -0.00 0.00 -0.53 0.00 0.00 39.78 34.67 3h71 n ASN 760 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h71 n GLY 761 N -0.78 0.43 3.65 8.20 0.00 -1.26 -5.01 105.19 110.43 3h71 n GLY 761 Ca -0.22 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 3h71 n GLY 761 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 762 N -1.12 2.34 0.03 1.61 2.02 -0.08 -2.39 118.70 121.11 3h71 s GLU 762 Ca 0.00 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.71 3h71 s GLU 762 Cb 0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 3h71 s GLU 762 CO 0.00 0.41 -0.02 0.71 0.02 0.00 0.00 175.26 176.38 3h71 s TYR 763 N -2.03 0.36 0.18 1.61 2.02 0.53 -0.85 117.35 119.18 3h71 s TYR 763 Ca 0.29 -0.75 0.08 0.00 -0.37 0.00 0.00 57.07 56.32 3h71 s TYR 763 Cb -0.08 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 3h71 s TYR 763 CO 0.19 -0.28 -0.15 0.20 -1.57 0.00 0.00 175.55 173.94 3h71 s GLY 764 N -2.11 1.35 -0.14 0.71 0.00 0.94 -1.22 107.32 106.85 3h71 s GLY 764 Ca -0.06 -1.55 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 3h71 s GLY 764 CO -0.05 -1.63 0.34 -1.50 0.00 0.00 0.00 173.10 170.26 3h71 s ILE 765 N -2.59 -0.02 -0.19 0.90 2.07 -0.53 -1.28 121.20 119.56 3h71 s ILE 765 Ca 0.18 0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.47 3h71 s ILE 765 Cb -0.03 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 3h71 s ILE 765 CO 0.06 0.03 -0.04 -0.22 -1.91 0.00 0.00 174.94 172.86 3h71 s LEU 766 N 0.98 3.01 0.13 8.50 2.96 -0.53 -1.89 118.68 131.84 3h71 s LEU 766 Ca -0.07 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3h71 s LEU 766 Cb -0.07 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3h71 s LEU 766 CO -0.07 0.06 0.10 -0.72 -1.32 0.00 0.00 176.35 174.40 3h71 s TYR 767 N 1.02 0.68 -0.05 5.38 1.13 0.09 -0.43 117.35 125.17 3h71 s TYR 767 Ca 0.01 -1.08 -0.19 0.00 -1.41 0.00 0.00 57.07 54.40 3h71 s TYR 767 Cb -0.15 -0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 40.31 3h71 s TYR 767 CO 0.00 -0.55 0.53 -1.21 -2.51 0.00 0.00 175.55 171.82 3h71 s GLU 768 N -4.01 4.29 -0.01 -3.49 2.02 0.34 -1.00 118.70 116.84 3h71 s GLU 768 Ca 0.20 0.59 -0.29 0.00 0.02 0.00 0.00 54.97 55.49 3h71 s GLU 768 Cb 0.06 -3.37 0.08 0.00 0.10 0.00 0.00 34.13 31.00 3h71 s GLU 768 CO -0.01 0.30 0.72 -1.58 0.02 0.00 0.00 175.26 174.72 3h71 s HIS 769 N 0.10 -0.56 0.04 1.61 2.46 -0.83 -1.92 115.29 116.19 3h71 s HIS 769 Ca 0.28 0.77 -0.01 0.00 0.47 0.00 0.00 55.06 56.58 3h71 s HIS 769 Cb -0.17 0.47 -0.03 0.00 -0.13 0.00 0.00 32.58 32.72 3h71 s HIS 769 CO 0.14 -0.63 -0.03 0.95 -2.47 0.00 0.00 174.74 172.71 3h71 s THR 770 N -2.01 0.17 0.10 0.89 -4.23 -1.26 -1.79 115.64 107.51 3h71 s THR 770 Ca -0.05 -1.36 -0.26 0.00 -1.18 0.00 0.00 61.69 58.83 3h71 s THR 770 Cb -0.00 -0.91 0.08 0.00 1.34 0.00 0.00 72.50 73.01 3h71 s THR 770 CO 0.01 -0.75 1.00 -1.83 -0.54 0.00 0.00 174.62 172.52 3h71 s GLU 771 N -2.72 1.02 -1.58 3.99 -1.05 -1.26 -4.31 118.70 112.79 3h71 s GLU 771 Ca -0.04 -0.54 -0.11 0.00 -0.15 0.00 0.00 54.97 54.12 3h71 s GLU 771 Cb -0.01 0.36 0.09 0.00 -0.44 0.00 0.00 34.13 34.14 3h71 s GLU 771 CO -0.06 -0.46 0.69 0.36 0.95 0.00 0.00 175.26 176.74 3h71 n LYS 772 N -0.44 -3.59 -1.05 -4.83 2.85 -1.26 -1.29 118.16 108.54 3h71 n LYS 772 Ca -0.07 0.42 -0.02 0.00 -1.05 0.00 0.00 58.31 57.60 3h71 n LYS 772 Cb 0.61 -4.97 -0.01 0.00 -0.65 0.00 0.00 35.03 30.01 3h71 n LYS 772 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3h71 n GLY 773 N -1.64 0.39 3.76 2.58 0.00 -1.26 -4.89 105.19 104.14 3h71 n GLY 773 Ca -0.06 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3h71 n GLY 773 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h71 s GLN 774 N -1.34 3.62 0.54 1.61 -0.21 -0.41 -1.19 119.66 122.28 3h71 s GLN 774 Ca 0.00 2.27 -0.19 0.00 0.02 0.00 0.00 55.36 57.46 3h71 s GLN 774 Cb 0.00 -2.56 -0.06 0.00 1.00 0.00 0.00 33.01 31.39 3h71 s GLN 774 CO 0.00 -0.82 1.11 -0.80 -2.12 0.00 0.00 175.29 172.66 3h71 s ASN 775 N -0.73 5.80 -0.19 5.90 0.02 0.23 -4.66 114.94 121.31 3h71 s ASN 775 Ca 0.63 2.09 -0.29 0.00 -1.02 0.00 0.00 52.86 54.27 3h71 s ASN 775 Cb -0.40 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.27 3h71 s ASN 775 CO 0.51 -1.16 1.52 0.00 0.02 0.00 0.00 177.10 177.99 3h71 s ALA 776 N -1.90 3.42 0.23 0.60 0.00 -1.26 -3.92 121.76 118.93 3h71 s ALA 776 Ca 0.71 0.52 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3h71 s ALA 776 Cb -0.22 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 3h71 s ALA 776 CO 0.27 -1.68 0.16 0.71 0.00 0.00 0.00 175.76 175.21 3h71 s TYR 777 N 4.57 1.29 -0.15 0.00 2.02 -0.09 -4.30 117.35 120.68 3h71 s TYR 777 Ca 0.67 -1.43 -0.04 0.00 -0.37 0.00 0.00 57.07 55.91 3h71 s TYR 777 Cb -0.25 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 3h71 s TYR 777 CO 0.26 -0.67 -0.04 0.99 -1.57 0.00 0.00 175.55 174.52 3h71 s THR 778 N -4.01 3.92 -0.29 -0.71 2.01 -0.74 -3.04 115.64 112.78 3h71 s THR 778 Ca 0.39 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 3h71 s THR 778 Cb 0.06 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 3h71 s THR 778 CO 0.15 0.50 0.37 -0.76 -0.69 0.00 0.00 174.62 174.18 3h71 s LEU 779 N 0.33 4.14 0.33 4.42 1.02 -0.12 -1.96 118.68 126.83 3h71 s LEU 779 Ca -0.04 0.14 0.09 0.00 0.02 0.00 0.00 54.13 54.35 3h71 s LEU 779 Cb -0.14 -2.40 -0.05 0.00 0.02 0.00 0.00 46.19 43.62 3h71 s LEU 779 CO 0.03 -0.22 0.00 -0.44 0.02 0.00 0.00 176.35 175.74 3h71 s SER 780 N 1.68 4.20 -0.01 2.29 0.01 -0.18 -0.61 113.70 121.07 3h71 s SER 780 Ca 0.14 -0.96 0.06 0.00 1.31 0.00 0.00 55.95 56.50 3h71 s SER 780 Cb -0.16 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 3h71 s SER 780 CO 0.11 -0.21 -0.19 0.12 0.41 0.00 0.00 173.24 173.48 3h71 s PHE 781 N -2.50 1.72 0.03 2.43 5.36 0.21 -0.73 117.98 124.51 3h71 s PHE 781 Ca 0.34 -0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 55.98 3h71 s PHE 781 Cb -0.01 -1.11 -0.03 0.00 -0.34 0.00 0.00 43.02 41.54 3h71 s PHE 781 CO 0.19 -0.03 -0.02 1.03 -1.46 0.00 0.00 175.22 174.94 3h71 s ARG 782 N -0.47 0.45 -0.02 10.12 0.52 -0.79 -1.15 118.95 127.61 3h71 s ARG 782 Ca 0.07 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.48 3h71 s ARG 782 Cb -0.07 0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 3h71 s ARG 782 CO -0.01 -0.08 -0.19 0.21 0.02 0.00 0.00 175.30 175.25 3h71 s LYS 783 N -2.51 1.63 0.11 3.54 2.20 -1.26 -1.45 119.74 122.00 3h71 s LYS 783 Ca -0.06 -0.68 -0.03 0.00 -0.36 0.00 0.00 55.97 54.83 3h71 s LYS 783 Cb -0.02 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.73 3h71 s LYS 783 CO -0.05 0.39 0.09 -0.59 -0.36 0.00 0.00 175.35 174.83 3h71 s PHE 784 N -0.37 0.59 0.38 4.03 -0.71 -0.36 -0.84 117.98 120.70 3h71 s PHE 784 Ca 0.05 -1.02 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 3h71 s PHE 784 Cb -0.08 -0.32 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 3h71 s PHE 784 CO -0.00 -0.52 0.03 0.27 -1.34 0.00 0.00 175.22 173.66 3h71 n ASN 785 N -0.06 2.98 -0.20 1.98 2.04 -1.00 -0.35 115.26 120.65 3h71 n ASN 785 Ca -0.09 -2.64 0.03 0.00 -0.44 0.00 0.00 54.58 51.43 3h71 n ASN 785 Cb 0.63 0.24 0.28 0.00 -2.53 0.00 0.00 39.78 38.39 3h71 n ASN 785 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3h71 h TRP 786 N 1.13 0.88 -0.18 -2.53 2.91 -1.84 -1.75 115.95 114.59 3h71 h TRP 786 Ca -0.31 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.71 3h71 h TRP 786 Cb 0.96 -0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 3h71 h TRP 786 CO 0.00 0.53 0.01 -0.44 -1.03 0.00 0.00 178.44 177.51 3h71 h ASP 787 N 0.93 0.23 -0.22 2.65 3.32 -1.89 -0.37 116.42 121.06 3h71 h ASP 787 Ca 0.29 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 3h71 h ASP 787 Cb 0.01 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3h71 h ASP 787 CO -0.08 0.27 -0.56 0.15 -1.72 0.00 0.00 179.24 177.30 3h71 h PHE 788 N 0.25 1.03 -0.23 4.55 3.57 -1.58 -1.84 116.94 122.69 3h71 h PHE 788 Ca 0.06 -0.37 -0.09 0.00 3.53 0.00 0.00 57.97 61.10 3h71 h PHE 788 Cb 0.15 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3h71 h PHE 788 CO 0.00 1.18 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.99 3h71 h LEU 789 N 0.62 0.58 0.00 0.59 3.38 -1.03 -3.36 115.31 116.09 3h71 h LEU 789 Ca 0.01 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3h71 h LEU 789 Cb 1.16 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3h71 h LEU 789 CO 0.12 0.92 -1.50 -1.54 0.09 0.00 0.00 178.44 176.53 3h71 n SER 790 N -4.41 0.42 -4.84 -0.43 3.41 -0.23 -4.74 113.62 102.81 3h71 n SER 790 Ca -0.05 0.16 -0.33 0.00 -0.26 0.00 0.00 58.87 58.40 3h71 n SER 790 Cb 0.41 1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 65.53 3h71 n SER 790 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h71 s LYS 791 N -3.44 3.22 -0.37 4.33 1.02 -0.69 -5.00 119.74 118.81 3h71 s LYS 791 Ca -0.04 -0.44 -0.24 0.00 0.02 0.00 0.00 55.97 55.27 3h71 s LYS 791 Cb 0.12 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3h71 s LYS 791 CO 0.85 0.64 0.81 -0.51 -0.92 0.00 0.00 175.35 176.22 3h71 s ASP 792 N -1.98 6.57 0.00 2.83 1.01 -1.26 -4.79 116.67 119.05 3h71 s ASP 792 Ca 0.27 0.38 0.14 0.00 0.71 0.00 0.00 52.55 54.05 3h71 s ASP 792 Cb -0.12 -2.41 0.85 0.00 1.01 0.00 0.00 42.92 42.25 3h71 s ASP 792 CO 0.18 -0.76 1.27 0.18 0.21 0.00 0.00 175.17 176.25