#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm2 n ASP 359 N 0.00 -4.23 0.00 4.38 -0.08 -1.26 -4.33 116.55 111.03 1sm2 n ASP 359 Ca 0.00 1.41 0.00 0.00 -1.51 0.00 0.00 54.79 54.69 1sm2 n ASP 359 Cb 0.00 -4.24 0.00 0.00 2.34 0.00 0.00 41.12 39.22 1sm2 n ASP 359 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1sm2 n PRO 360 N 1.93 0.00 -2.71 -0.67 -0.02 -1.26 -4.47 135.00 127.80 1sm2 n PRO 360 Ca -0.19 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.26 1sm2 n PRO 360 Cb 0.29 -0.06 0.11 0.00 -0.02 0.00 0.00 33.50 33.81 1sm2 n PRO 360 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sm2 n SER 361 N -0.05 -0.81 -2.20 2.55 3.41 -1.26 -4.89 113.62 110.36 1sm2 n SER 361 Ca 0.00 -2.26 -0.25 0.00 -0.26 0.00 0.00 58.87 56.11 1sm2 n SER 361 Cb 0.00 0.46 0.17 0.00 -0.26 0.00 0.00 64.21 64.58 1sm2 n SER 361 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sm2 n GLU 362 N -1.11 2.29 -4.49 4.33 1.02 -1.26 -4.92 120.64 116.51 1sm2 n GLU 362 Ca -0.09 -3.06 -0.34 0.00 -0.02 0.00 0.00 57.16 53.65 1sm2 n GLU 362 Cb 0.86 -2.18 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 1sm2 n GLU 362 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sm2 s LEU 363 N -3.36 3.33 -0.25 -4.62 1.43 -1.26 -0.31 118.68 113.64 1sm2 s LEU 363 Ca 0.57 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1sm2 s LEU 363 Cb 0.48 -1.76 0.04 0.00 0.03 0.00 0.00 46.19 44.99 1sm2 s LEU 363 CO 0.09 0.32 -0.09 -0.89 0.23 0.00 0.00 176.35 176.02 1sm2 s THR 364 N -0.55 2.50 -0.38 5.49 2.01 -0.05 -4.92 115.64 119.74 1sm2 s THR 364 Ca 0.09 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 60.47 1sm2 s THR 364 Cb -0.12 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1sm2 s THR 364 CO 0.02 0.09 1.05 -0.36 -0.69 0.00 0.00 174.62 174.72 1sm2 s PHE 365 N 1.21 3.03 -0.23 4.92 0.40 -1.26 -1.21 117.98 124.84 1sm2 s PHE 365 Ca -0.04 0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 57.17 1sm2 s PHE 365 Cb -0.18 -3.90 -0.13 0.00 0.51 0.00 0.00 43.02 39.32 1sm2 s PHE 365 CO -0.05 -0.94 -0.23 0.28 0.70 0.00 0.00 175.22 174.97 1sm2 n VAL 366 N 6.20 1.27 -3.63 -0.44 0.31 0.14 -4.97 118.33 117.21 1sm2 n VAL 366 Ca 0.10 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.89 1sm2 n VAL 366 Cb 0.48 -1.48 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 1sm2 n VAL 366 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1sm2 s GLN 367 N -2.44 0.77 0.19 5.55 0.74 0.18 -4.93 119.66 119.72 1sm2 s GLN 367 Ca -0.31 0.99 -0.31 0.00 0.05 0.00 0.00 55.36 55.79 1sm2 s GLN 367 Cb 0.09 0.34 -0.09 0.00 1.10 0.00 0.00 33.01 34.45 1sm2 s GLN 367 CO 0.47 -0.10 1.41 -2.00 -0.55 0.00 0.00 175.29 174.52 1sm2 s GLU 368 N 0.61 4.31 0.00 1.67 2.12 -1.26 0.23 118.70 126.37 1sm2 s GLU 368 Ca -0.02 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.50 1sm2 s GLU 368 Cb -0.05 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1sm2 s GLU 368 CO -0.04 -0.41 0.00 -0.89 -0.54 0.00 0.00 175.26 173.39 1sm2 n ILE 369 N 3.05 0.00 -3.50 -3.70 -0.00 -0.22 -4.82 119.36 110.17 1sm2 n ILE 369 Ca 0.09 -0.14 -0.13 0.00 -0.00 0.00 0.00 62.75 62.57 1sm2 n ILE 369 Cb 0.41 0.61 -0.04 0.00 -0.00 0.00 0.00 39.64 40.62 1sm2 n ILE 369 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1sm2 s GLY 370 N -1.35 -0.51 0.10 7.39 0.00 -0.96 -4.99 107.32 107.02 1sm2 s GLY 370 Ca 0.00 1.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.90 1sm2 s GLY 370 CO 0.00 0.65 0.03 -0.56 0.00 0.00 0.00 173.10 173.23 1sm2 s SER 371 N -1.81 0.36 0.09 1.64 0.01 -1.26 -1.32 113.70 111.41 1sm2 s SER 371 Ca -0.03 -1.13 -0.23 0.00 1.31 0.00 0.00 55.95 55.87 1sm2 s SER 371 Cb -0.01 0.27 0.08 0.00 0.21 0.00 0.00 66.02 66.57 1sm2 s SER 371 CO -0.01 -0.69 1.08 0.61 0.41 0.00 0.00 173.24 174.64 1sm2 n GLY 372 N -0.03 0.47 1.96 3.44 0.00 0.08 -4.96 105.19 106.16 1sm2 n GLY 372 Ca -0.08 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 1sm2 n GLY 372 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sm2 n GLN 373 N -0.77 1.96 0.00 1.61 -0.06 -1.26 -2.84 117.38 116.03 1sm2 n GLN 373 Ca 0.01 -1.90 0.00 0.00 -2.00 0.00 0.00 57.00 53.11 1sm2 n GLN 373 Cb 0.55 -1.74 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 1sm2 n GLN 373 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1sm2 n PHE 374 N 0.06 0.00 0.00 3.69 3.01 -1.26 -4.91 117.46 118.05 1sm2 n PHE 374 Ca 0.36 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.82 1sm2 n PHE 374 Cb 0.63 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 1sm2 n PHE 374 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sm2 n GLY 375 N 0.00 0.75 3.27 1.37 0.00 -1.13 -3.93 105.19 105.51 1sm2 n GLY 375 Ca 0.00 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 1sm2 n GLY 375 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sm2 s LEU 376 N 0.00 1.86 -0.01 0.99 1.43 -0.25 -0.74 118.68 121.97 1sm2 s LEU 376 Ca 0.00 -1.27 0.02 0.00 -1.03 0.00 0.00 54.13 51.85 1sm2 s LEU 376 Cb 0.00 0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.23 1sm2 s LEU 376 CO 0.00 -0.65 -0.07 0.68 0.23 0.00 0.00 176.35 176.54 1sm2 s VAL 377 N -3.74 0.56 0.28 -1.59 -7.23 -0.43 0.21 120.40 108.46 1sm2 s VAL 377 Ca 0.30 -0.28 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 1sm2 s VAL 377 Cb 0.07 -0.49 -0.06 0.00 0.56 0.00 0.00 36.38 36.46 1sm2 s VAL 377 CO 0.08 0.17 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.97 1sm2 s HIS 378 N -0.01 2.00 -0.17 2.82 3.76 0.11 -1.05 115.29 122.75 1sm2 s HIS 378 Ca 0.01 -0.66 -0.15 0.00 -0.15 0.00 0.00 55.06 54.11 1sm2 s HIS 378 Cb -0.04 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 1sm2 s HIS 378 CO -0.00 0.33 0.35 -1.17 -0.85 0.00 0.00 174.74 173.40 1sm2 s LEU 379 N -3.46 4.22 0.00 0.89 1.98 0.62 -0.57 118.68 122.36 1sm2 s LEU 379 Ca 0.30 0.55 -0.03 0.00 -2.89 0.00 0.00 54.13 52.05 1sm2 s LEU 379 Cb 0.03 -2.46 0.01 0.00 0.66 0.00 0.00 46.19 44.43 1sm2 s LEU 379 CO 0.12 0.03 0.19 0.61 -1.89 0.00 0.00 176.35 175.41 1sm2 n GLY 380 N 3.55 1.86 3.22 7.98 0.00 -0.85 0.23 105.19 121.18 1sm2 n GLY 380 Ca -0.10 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 1sm2 n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sm2 s TYR 381 N -7.00 1.20 -0.15 1.61 1.51 -0.35 -0.97 117.35 113.20 1sm2 s TYR 381 Ca 0.04 -0.69 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1sm2 s TYR 381 Cb -0.01 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 1sm2 s TYR 381 CO 0.03 0.05 -0.09 -0.46 -1.11 0.00 0.00 175.55 173.97 1sm2 s TRP 382 N -2.79 2.89 -1.47 2.71 -0.00 -0.38 -0.87 118.94 119.03 1sm2 s TRP 382 Ca 0.11 -0.58 0.00 0.00 -0.00 0.00 0.00 56.10 55.62 1sm2 s TRP 382 Cb -0.01 -1.91 0.00 0.00 -0.00 0.00 0.00 33.47 31.55 1sm2 s TRP 382 CO 0.01 -0.20 0.00 1.28 -0.00 0.00 0.00 176.95 178.03 1sm2 n LEU 383 N 3.68 -1.20 -1.17 5.86 4.77 0.58 0.49 117.00 130.02 1sm2 n LEU 383 Ca -0.18 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 1sm2 n LEU 383 Cb 0.52 -2.26 -0.06 0.00 -2.33 0.00 0.00 43.42 39.30 1sm2 n LEU 383 CO 0.31 -0.55 -0.13 0.59 -1.33 0.00 0.00 177.39 176.28 1sm2 n ASN 384 N -1.12 -4.53 -0.03 -1.43 3.02 -1.26 -4.77 115.26 105.13 1sm2 n ASN 384 Ca -0.16 0.33 -0.05 0.00 -0.03 0.00 0.00 54.58 54.67 1sm2 n ASN 384 Cb 0.54 -3.78 -0.02 0.00 -0.61 0.00 0.00 39.78 35.91 1sm2 n ASN 384 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1sm2 n LYS 385 N -1.48 0.29 -3.61 3.52 3.00 0.18 -5.02 118.16 115.03 1sm2 n LYS 385 Ca -0.13 0.11 -0.36 0.00 -0.00 0.00 0.00 58.31 57.93 1sm2 n LYS 385 Cb 0.52 -1.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.48 1sm2 n LYS 385 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1sm2 s ASP 386 N -5.95 6.38 0.13 3.14 1.01 -0.82 -4.87 116.67 115.68 1sm2 s ASP 386 Ca -0.16 0.44 -0.31 0.00 0.71 0.00 0.00 52.55 53.23 1sm2 s ASP 386 Cb 0.02 -2.15 -0.09 0.00 1.01 0.00 0.00 42.92 41.72 1sm2 s ASP 386 CO 0.23 0.15 1.44 -0.75 0.21 0.00 0.00 175.17 176.45 1sm2 s LYS 387 N 0.28 4.29 0.11 8.23 2.20 -1.26 -1.25 119.74 132.34 1sm2 s LYS 387 Ca 0.14 2.15 -0.03 0.00 -0.36 0.00 0.00 55.97 57.87 1sm2 s LYS 387 Cb -0.12 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1sm2 s LYS 387 CO 0.02 -0.48 0.08 0.14 -0.36 0.00 0.00 175.35 174.75 1sm2 s VAL 388 N 1.12 0.13 -0.27 4.02 -7.23 -0.14 -3.13 120.40 114.90 1sm2 s VAL 388 Ca 0.66 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 1sm2 s VAL 388 Cb -0.39 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 1sm2 s VAL 388 CO 0.30 -0.60 0.06 0.00 -0.31 0.00 0.00 175.10 174.56 1sm2 s ALA 389 N -3.98 3.07 -0.37 1.32 0.00 -0.03 -2.00 121.76 119.77 1sm2 s ALA 389 Ca 0.16 -1.31 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 1sm2 s ALA 389 Cb 0.07 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1sm2 s ALA 389 CO -0.03 -0.72 0.30 0.42 0.00 0.00 0.00 175.76 175.73 1sm2 s ILE 390 N 1.54 5.24 -0.36 0.00 1.01 0.27 -1.10 121.20 127.80 1sm2 s ILE 390 Ca 0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 1sm2 s ILE 390 Cb -0.16 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 1sm2 s ILE 390 CO 0.02 -0.17 0.36 -0.75 0.00 0.00 0.00 174.94 174.40 1sm2 s LYS 391 N 1.80 3.46 -0.08 2.79 2.20 0.51 0.07 119.74 130.49 1sm2 s LYS 391 Ca 0.07 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1sm2 s LYS 391 Cb -0.18 -3.84 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1sm2 s LYS 391 CO 0.11 -0.58 0.13 0.95 -0.36 0.00 0.00 175.35 175.61 1sm2 s THR 392 N 1.99 5.32 0.00 3.43 -4.23 0.56 -1.00 115.64 121.71 1sm2 s THR 392 Ca 0.11 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1sm2 s THR 392 Cb -0.17 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1sm2 s THR 392 CO 0.12 0.52 0.00 0.00 -0.54 0.00 0.00 174.62 174.71 1sm2 n ILE 393 N 1.65 0.00 -3.64 2.99 3.06 -1.07 -1.09 119.36 121.26 1sm2 n ILE 393 Ca -0.17 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.01 1sm2 n ILE 393 Cb 0.54 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.65 1sm2 n ILE 393 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 1sm2 s ARG 394 N 0.00 0.44 -0.23 9.51 0.52 -1.25 -3.58 118.95 124.35 1sm2 s ARG 394 Ca 0.00 0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 55.77 1sm2 s ARG 394 Cb 0.00 0.18 -0.06 0.00 0.52 0.00 0.00 34.95 35.60 1sm2 s ARG 394 CO 0.00 -0.06 1.52 -1.91 0.02 0.00 0.00 175.30 174.87 1sm2 n GLU 395 N 2.58 0.85 0.00 3.54 0.00 -1.26 -2.77 120.64 123.59 1sm2 n GLU 395 Ca -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 57.16 56.38 1sm2 n GLU 395 Cb 0.56 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1sm2 n GLU 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sm2 n GLY 396 N 3.33 0.23 0.00 8.31 0.00 -1.26 -4.98 105.19 110.81 1sm2 n GLY 396 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1sm2 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm2 n ALA 397 N 0.00 2.48 -3.60 4.61 0.00 -1.11 -4.80 120.51 118.09 1sm2 n ALA 397 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1sm2 n ALA 397 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 1sm2 n ALA 397 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sm2 s MET 398 N -2.00 0.70 0.45 0.00 -1.94 -1.26 -4.94 119.30 110.31 1sm2 s MET 398 Ca 0.39 0.48 -0.22 0.00 -1.71 0.00 0.00 55.69 54.63 1sm2 s MET 398 Cb 0.18 0.33 -0.09 0.00 2.01 0.00 0.00 34.83 37.26 1sm2 s MET 398 CO 0.30 -0.15 1.04 -1.12 -0.01 0.00 0.00 175.02 175.07 1sm2 s SER 399 N -0.39 6.51 0.10 3.03 0.01 -1.26 -4.87 113.70 116.82 1sm2 s SER 399 Ca -0.01 1.95 -0.34 0.00 1.31 0.00 0.00 55.95 58.85 1sm2 s SER 399 Cb -0.03 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.49 1sm2 s SER 399 CO 0.00 -0.66 1.57 -0.33 0.41 0.00 0.00 173.24 174.23 1sm2 h GLU 400 N 1.89 -0.80 0.00 12.44 4.39 -1.99 0.24 114.58 130.74 1sm2 h GLU 400 Ca -0.49 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1sm2 h GLU 400 Cb 1.22 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1sm2 h GLU 400 CO 0.60 -0.53 -0.05 1.05 -1.16 0.00 0.00 179.01 178.92 1sm2 h GLU 401 N -0.83 0.00 -0.33 2.33 4.11 -1.97 -2.06 114.58 115.83 1sm2 h GLU 401 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.25 1sm2 h GLU 401 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1sm2 h GLU 401 CO -0.19 0.05 -0.40 -0.44 0.07 0.00 0.00 179.01 178.10 1sm2 h ASP 402 N 0.00 0.93 -0.54 3.06 3.45 -1.60 -0.80 116.42 120.92 1sm2 h ASP 402 Ca -0.00 -0.49 -0.10 0.00 0.43 0.00 0.00 57.03 56.87 1sm2 h ASP 402 Cb 0.56 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 1sm2 h ASP 402 CO 0.01 1.23 -0.05 0.15 -1.57 0.00 0.00 179.24 179.01 1sm2 h PHE 403 N 0.64 1.10 0.00 4.55 3.57 -0.33 -2.77 116.94 123.70 1sm2 h PHE 403 Ca 0.04 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 1sm2 h PHE 403 Cb 1.00 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 1sm2 h PHE 403 CO 0.07 1.01 -0.11 0.82 -2.23 0.00 0.00 178.31 177.87 1sm2 h ILE 404 N 0.87 0.39 0.04 1.41 2.04 -1.14 -1.79 117.51 119.33 1sm2 h ILE 404 Ca 0.15 -0.62 -0.26 0.00 1.00 0.00 0.00 64.86 65.13 1sm2 h ILE 404 Cb 0.60 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1sm2 h ILE 404 CO 0.04 0.11 -1.31 -0.33 0.00 0.00 0.00 178.15 176.66 1sm2 h GLU 405 N 0.00 0.08 0.19 2.37 5.08 -0.86 -2.82 114.58 118.61 1sm2 h GLU 405 Ca -0.00 -0.13 -0.27 0.00 -1.00 0.00 0.00 59.36 57.96 1sm2 h GLU 405 Cb 0.44 0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.76 1sm2 h GLU 405 CO 0.01 0.92 -1.20 0.93 -1.00 0.00 0.00 179.01 178.68 1sm2 h GLU 406 N 0.02 0.40 0.00 2.33 5.08 -1.40 -2.89 114.58 118.12 1sm2 h GLU 406 Ca -0.14 -0.69 -0.02 0.00 -1.00 0.00 0.00 59.36 57.51 1sm2 h GLU 406 Cb 1.90 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 31.40 1sm2 h GLU 406 CO 0.13 1.33 -0.09 0.00 -1.00 0.00 0.00 179.01 179.38 1sm2 h ALA 407 N 0.10 1.41 -0.20 3.43 0.00 -1.47 0.75 119.26 123.27 1sm2 h ALA 407 Ca -0.22 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1sm2 h ALA 407 Cb 1.90 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1sm2 h ALA 407 CO 0.20 0.12 -0.53 1.49 0.00 0.00 0.00 179.25 180.53 1sm2 h GLU 408 N 0.00 0.58 0.05 0.00 4.81 -1.45 -2.87 114.58 115.70 1sm2 h GLU 408 Ca -0.00 -0.35 -0.30 0.00 -0.13 0.00 0.00 59.36 58.57 1sm2 h GLU 408 Cb 0.23 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1sm2 h GLU 408 CO 0.01 0.96 -1.67 0.28 -0.73 0.00 0.00 179.01 177.86 1sm2 h VAL 409 N 0.45 0.94 -0.52 0.32 2.07 -1.13 -3.29 116.25 115.08 1sm2 h VAL 409 Ca 0.01 -2.71 0.08 0.00 0.82 0.00 0.00 66.70 64.90 1sm2 h VAL 409 Cb 1.07 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 33.32 1sm2 h VAL 409 CO 0.10 0.69 0.18 -0.03 0.02 0.00 0.00 177.57 178.52 1sm2 h MET 410 N 0.03 0.34 -0.44 1.57 4.05 -0.90 0.22 114.93 119.80 1sm2 h MET 410 Ca -0.28 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.16 1sm2 h MET 410 Cb 2.00 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.70 1sm2 h MET 410 CO 0.10 0.22 0.29 0.52 0.23 0.00 0.00 176.91 178.28 1sm2 h MET 411 N 0.35 0.40 -0.03 0.39 2.86 -1.62 -1.11 114.93 116.16 1sm2 h MET 411 Ca 0.26 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1sm2 h MET 411 Cb 0.30 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1sm2 h MET 411 CO -0.27 0.26 -0.07 -0.22 1.06 0.00 0.00 176.91 177.67 1sm2 h LYS 412 N 0.41 0.04 -6.52 1.72 1.63 -0.63 -3.44 116.57 109.78 1sm2 h LYS 412 Ca 0.19 -0.01 -0.47 0.00 -0.85 0.00 0.00 60.65 59.52 1sm2 h LYS 412 Cb 0.23 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1sm2 h LYS 412 CO -0.04 0.11 -0.20 -0.51 -3.45 0.00 0.00 179.45 175.36 1sm2 s LEU 413 N -8.90 3.94 -0.30 5.20 1.43 -0.42 -5.11 118.68 114.53 1sm2 s LEU 413 Ca -0.05 0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 1sm2 s LEU 413 Cb 0.16 -3.18 0.19 0.00 0.03 0.00 0.00 46.19 43.40 1sm2 s LEU 413 CO 0.69 -0.39 1.21 -0.94 0.23 0.00 0.00 176.35 177.15 1sm2 s SER 414 N -4.09 -0.18 -0.21 2.29 1.04 -1.26 -4.99 113.70 106.30 1sm2 s SER 414 Ca 0.42 0.29 -0.28 0.00 0.48 0.00 0.00 55.95 56.87 1sm2 s SER 414 Cb -0.10 0.92 0.12 0.00 0.10 0.00 0.00 66.02 67.07 1sm2 s SER 414 CO 0.35 -0.05 1.01 -2.28 0.98 0.00 0.00 173.24 173.25 1sm2 s HIS 415 N 0.92 -0.42 0.59 5.02 5.04 -1.26 -5.02 115.29 120.15 1sm2 s HIS 415 Ca -0.05 0.88 0.24 0.00 -1.54 0.00 0.00 55.06 54.59 1sm2 s HIS 415 Cb -0.03 0.41 1.33 0.00 0.04 0.00 0.00 32.58 34.33 1sm2 s HIS 415 CO -0.12 -0.30 1.73 -1.35 -2.34 0.00 0.00 174.74 172.37 1sm2 h PRO 416 N 3.31 0.00 -0.37 2.88 0.11 -2.00 -0.13 132.00 135.80 1sm2 h PRO 416 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1sm2 h PRO 416 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sm2 h PRO 416 CO 0.22 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.64 1sm2 n LYS 417 N -2.74 3.55 -5.11 1.05 4.76 -1.26 -4.91 118.16 113.49 1sm2 n LYS 417 Ca -0.02 -2.93 -0.30 0.00 -2.87 0.00 0.00 58.31 52.20 1sm2 n LYS 417 Cb 0.45 -1.97 -0.16 0.00 -1.84 0.00 0.00 35.03 31.51 1sm2 n LYS 417 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sm2 s LEU 418 N -2.76 2.01 0.30 -0.35 1.43 -0.06 0.33 118.68 119.58 1sm2 s LEU 418 Ca 0.46 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 1sm2 s LEU 418 Cb 0.36 -1.24 -0.12 0.00 0.03 0.00 0.00 46.19 45.22 1sm2 s LEU 418 CO 0.11 0.20 1.55 0.52 0.23 0.00 0.00 176.35 178.97 1sm2 n VAL 419 N 3.10 1.18 -3.10 -1.59 0.31 -0.66 -4.67 118.33 112.91 1sm2 n VAL 419 Ca -0.18 -0.30 -0.31 0.00 -0.01 0.00 0.00 64.34 63.55 1sm2 n VAL 419 Cb 0.52 -1.90 -0.04 0.00 -0.91 0.00 0.00 33.84 31.51 1sm2 n VAL 419 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1sm2 s GLN 420 N -0.76 3.81 -0.12 5.55 -0.21 -1.26 -4.96 119.66 121.71 1sm2 s GLN 420 Ca 0.63 0.40 -0.05 0.00 0.02 0.00 0.00 55.36 56.35 1sm2 s GLN 420 Cb -0.51 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1sm2 s GLN 420 CO 0.51 0.11 0.08 -1.17 -2.12 0.00 0.00 175.29 172.70 1sm2 s LEU 421 N -3.43 4.02 -0.17 2.90 2.96 -1.26 -0.75 118.68 122.95 1sm2 s LEU 421 Ca 0.50 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.77 1sm2 s LEU 421 Cb -0.10 -1.97 -0.22 0.00 0.50 0.00 0.00 46.19 44.39 1sm2 s LEU 421 CO 0.26 0.36 0.14 -1.22 -1.32 0.00 0.00 176.35 174.57 1sm2 n TYR 422 N 2.32 0.45 0.00 5.38 4.02 0.17 -4.88 117.16 124.62 1sm2 n TYR 422 Ca -0.19 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1sm2 n TYR 422 Cb 0.54 -1.07 0.00 0.00 -0.02 0.00 0.00 39.34 38.79 1sm2 n TYR 422 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sm2 n GLY 423 N 1.93 0.02 3.54 2.72 0.00 -1.10 -4.97 105.19 107.33 1sm2 n GLY 423 Ca -0.34 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 1sm2 n GLY 423 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sm2 s VAL 424 N -2.00 2.93 -0.32 1.61 -7.23 -1.26 -0.30 120.40 113.82 1sm2 s VAL 424 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1sm2 s VAL 424 Cb 0.00 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.54 1sm2 s VAL 424 CO 0.00 -0.26 0.07 0.00 -0.31 0.00 0.00 175.10 174.60 1sm2 n LEU 426 N 4.55 0.77 -4.66 0.00 4.77 -1.26 -0.81 117.00 120.36 1sm2 n LEU 426 Ca 0.00 -0.71 -0.54 0.00 -0.03 0.00 0.00 56.01 54.74 1sm2 n LEU 426 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1sm2 n LEU 426 CO 0.17 0.17 1.19 -1.84 -1.33 0.00 0.00 177.39 175.74 1sm2 n GLU 427 N -0.52 1.30 0.00 3.23 0.28 -1.26 -4.57 120.64 119.10 1sm2 n GLU 427 Ca 0.02 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1sm2 n GLU 427 Cb 0.11 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 30.82 1sm2 n GLU 427 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1sm2 n GLN 428 N 4.39 0.00 -2.14 3.44 6.02 -1.26 -4.37 117.38 123.46 1sm2 n GLN 428 Ca 0.23 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.83 1sm2 n GLN 428 Cb 0.17 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.43 1sm2 n GLN 428 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sm2 s ALA 429 N -2.37 3.18 0.00 -1.58 0.00 -1.26 -4.68 121.76 115.04 1sm2 s ALA 429 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1sm2 s ALA 429 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1sm2 s ALA 429 CO 0.00 -0.74 0.00 -2.30 0.00 0.00 0.00 175.76 172.72 1sm2 n PRO 430 N 0.01 0.00 -1.08 0.00 -0.01 -1.26 -4.79 135.00 127.87 1sm2 n PRO 430 Ca 0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 63.17 1sm2 n PRO 430 Cb 0.45 0.00 -0.02 0.00 -0.01 0.00 0.00 33.50 33.92 1sm2 n PRO 430 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 1sm2 n ILE 431 N 0.00 1.36 -3.68 4.25 -0.00 -1.26 -4.85 119.36 115.18 1sm2 n ILE 431 Ca 0.00 -0.39 -0.07 0.00 -0.00 0.00 0.00 62.75 62.29 1sm2 n ILE 431 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 39.62 1sm2 n ILE 431 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1sm2 s LEU 433 N -2.82 2.04 -0.33 0.00 1.02 -0.17 0.12 118.68 118.53 1sm2 s LEU 433 Ca 0.09 -0.46 -0.07 0.00 0.02 0.00 0.00 54.13 53.70 1sm2 s LEU 433 Cb -0.03 -1.27 0.03 0.00 0.02 0.00 0.00 46.19 44.94 1sm2 s LEU 433 CO -0.01 0.25 0.12 -0.69 0.02 0.00 0.00 176.35 176.04 1sm2 s VAL 434 N -0.27 3.96 0.34 -1.59 1.01 0.58 -0.37 120.40 124.06 1sm2 s VAL 434 Ca 0.01 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1sm2 s VAL 434 Cb -0.12 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1sm2 s VAL 434 CO 0.02 -0.12 0.30 -0.36 0.00 0.00 0.00 175.10 174.93 1sm2 s PHE 435 N 1.45 2.90 0.71 5.22 0.40 -0.26 0.46 117.98 128.87 1sm2 s PHE 435 Ca -0.00 -0.30 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 1sm2 s PHE 435 Cb -0.19 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.56 1sm2 s PHE 435 CO 0.03 0.17 1.17 -1.83 0.70 0.00 0.00 175.22 175.46 1sm2 s GLU 436 N -4.00 2.35 -0.17 0.44 -1.05 0.07 -0.85 118.70 115.48 1sm2 s GLU 436 Ca 0.41 1.61 -0.16 0.00 -0.15 0.00 0.00 54.97 56.68 1sm2 s GLU 436 Cb -0.06 -1.87 -0.04 0.00 -0.44 0.00 0.00 34.13 31.72 1sm2 s GLU 436 CO 0.27 -1.64 0.40 0.12 0.95 0.00 0.00 175.26 175.35 1sm2 s PHE 437 N -2.15 3.42 -0.48 4.83 5.36 -1.18 -4.03 117.98 123.75 1sm2 s PHE 437 Ca 0.71 0.68 -0.20 0.00 -0.96 0.00 0.00 56.93 57.17 1sm2 s PHE 437 Cb -0.26 -2.50 0.04 0.00 -0.34 0.00 0.00 43.02 39.96 1sm2 s PHE 437 CO 0.44 0.07 0.61 -1.64 -1.46 0.00 0.00 175.22 173.25 1sm2 s MET 438 N 1.01 3.17 0.00 10.12 -1.94 -1.26 -4.94 119.30 125.46 1sm2 s MET 438 Ca 0.20 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 1sm2 s MET 438 Cb -0.14 -4.03 0.00 0.00 2.01 0.00 0.00 34.83 32.66 1sm2 s MET 438 CO 0.08 -1.11 0.16 -1.91 -0.01 0.00 0.00 175.02 172.23 1sm2 n GLU 439 N 6.16 0.19 0.00 2.03 4.07 -1.25 -2.84 120.64 129.00 1sm2 n GLU 439 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1sm2 n GLU 439 Cb 0.46 -1.02 0.00 0.00 -0.06 0.00 0.00 31.44 30.82 1sm2 n GLU 439 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1sm2 n HIS 440 N -0.27 0.00 -4.29 4.31 8.25 -0.42 -4.70 115.22 118.10 1sm2 n HIS 440 Ca 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1sm2 n HIS 440 Cb 0.01 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.12 1sm2 n HIS 440 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sm2 n GLY 441 N -0.06 -1.28 3.85 -1.41 0.00 -1.13 -4.63 105.19 100.52 1sm2 n GLY 441 Ca 0.00 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 1sm2 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm2 h LEU 443 N 1.95 -0.91 -0.41 0.00 5.85 0.00 0.03 115.31 121.83 1sm2 h LEU 443 Ca -0.48 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1sm2 h LEU 443 Cb 1.18 0.44 -0.09 0.00 0.37 0.00 0.00 40.66 42.56 1sm2 h LEU 443 CO 0.64 -0.29 -0.48 0.77 -0.34 0.00 0.00 178.44 178.74 1sm2 h SER 444 N -0.23 -1.59 -0.06 1.25 4.64 -1.65 0.25 113.55 116.17 1sm2 h SER 444 Ca 0.17 0.23 0.03 0.00 -0.47 0.00 0.00 61.79 61.75 1sm2 h SER 444 Cb 0.50 0.68 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1sm2 h SER 444 CO -0.48 -0.38 -0.17 0.44 -0.87 0.00 0.00 176.83 175.36 1sm2 h ASP 445 N -0.36 -0.52 -0.89 4.97 5.19 -1.72 -2.81 116.42 120.28 1sm2 h ASP 445 Ca 0.12 0.08 0.08 0.00 -0.62 0.00 0.00 57.03 56.68 1sm2 h ASP 445 Cb 0.59 0.23 -0.07 0.00 0.18 0.00 0.00 39.33 40.26 1sm2 h ASP 445 CO -0.58 -0.23 0.55 0.22 -3.12 0.00 0.00 179.24 176.07 1sm2 h TYR 446 N -0.25 1.00 -0.28 4.55 3.20 -0.32 -2.55 116.97 122.32 1sm2 h TYR 446 Ca 0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1sm2 h TYR 446 Cb 0.35 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1sm2 h TYR 446 CO -0.25 0.48 0.08 -0.07 -1.64 0.00 0.00 178.16 176.76 1sm2 h LEU 447 N 0.96 0.36 0.02 2.82 3.38 -0.26 -3.16 115.31 119.44 1sm2 h LEU 447 Ca 0.40 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 1sm2 h LEU 447 Cb 0.25 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sm2 h LEU 447 CO -0.20 0.36 -0.31 0.03 0.09 0.00 0.00 178.44 178.41 1sm2 h ARG 448 N 0.40 0.17 0.00 1.13 -0.00 -1.40 -3.38 114.38 111.30 1sm2 h ARG 448 Ca 0.10 -0.21 0.00 0.00 -0.50 0.00 0.00 59.98 59.36 1sm2 h ARG 448 Cb 0.14 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.18 1sm2 h ARG 448 CO -0.01 0.99 0.00 0.25 0.00 0.00 0.00 179.97 181.21 1sm2 n THR 449 N -4.45 0.00 0.00 2.04 -2.24 -1.06 -4.43 114.28 104.14 1sm2 n THR 449 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1sm2 n THR 449 Cb 0.56 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1sm2 n THR 449 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1sm2 n GLN 450 N -0.66 0.00 -3.43 -0.78 0.00 -1.26 -0.32 117.38 110.93 1sm2 n GLN 450 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 56.74 1sm2 n GLN 450 Cb 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 30.24 28.69 1sm2 n GLN 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1sm2 n ARG 451 N -0.48 1.43 -2.14 3.69 5.12 -1.26 -4.84 116.66 118.17 1sm2 n ARG 451 Ca 0.00 -3.93 -0.04 0.00 -1.93 0.00 0.00 57.85 51.95 1sm2 n ARG 451 Cb 0.00 -1.84 0.05 0.00 -1.16 0.00 0.00 32.46 29.52 1sm2 n ARG 451 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sm2 n GLY 452 N 1.58 2.97 2.37 -0.13 0.00 0.56 -4.33 105.19 108.21 1sm2 n GLY 452 Ca 0.25 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.67 1sm2 n GLY 452 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1sm2 n LEU 453 N -0.44 -0.75 -4.82 0.99 -0.00 -1.26 -5.09 117.00 105.63 1sm2 n LEU 453 Ca 0.16 -4.26 -0.22 0.00 -0.00 0.00 0.00 56.01 51.69 1sm2 n LEU 453 Cb 0.90 0.65 -0.05 0.00 -0.00 0.00 0.00 43.42 44.92 1sm2 n LEU 453 CO 0.11 1.99 -0.06 -0.36 -0.00 0.00 0.00 177.39 179.06 1sm2 s PHE 454 N -0.39 2.67 -0.04 1.47 0.40 -1.26 -5.12 117.98 115.71 1sm2 s PHE 454 Ca 0.34 -0.52 -0.04 0.00 -0.60 0.00 0.00 56.93 56.11 1sm2 s PHE 454 Cb 0.13 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1sm2 s PHE 454 CO -0.15 0.01 0.15 0.00 0.70 0.00 0.00 175.22 175.93 1sm2 s ALA 455 N -2.52 3.87 0.40 5.36 0.00 -1.26 -5.00 121.76 122.62 1sm2 s ALA 455 Ca 0.45 -0.74 0.14 0.00 0.00 0.00 0.00 51.96 51.81 1sm2 s ALA 455 Cb -0.01 -1.86 0.98 0.00 0.00 0.00 0.00 23.12 22.23 1sm2 s ALA 455 CO 0.26 0.70 1.89 0.00 0.00 0.00 0.00 175.76 178.61 1sm2 h ALA 456 N 4.22 2.03 -0.01 0.00 0.00 -1.99 0.15 119.26 123.66 1sm2 h ALA 456 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sm2 h ALA 456 Cb 1.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1sm2 h ALA 456 CO 0.65 -0.26 0.01 0.93 0.00 0.00 0.00 179.25 180.57 1sm2 h GLU 457 N 0.51 0.00 0.03 0.00 5.08 -1.95 0.20 114.58 118.45 1sm2 h GLU 457 Ca 0.42 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.71 1sm2 h GLU 457 Cb 0.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1sm2 h GLU 457 CO -0.16 0.00 -0.28 1.15 -1.00 0.00 0.00 179.01 178.72 1sm2 h THR 458 N 0.00 1.64 -0.94 1.13 2.02 -1.11 -2.90 112.91 112.76 1sm2 h THR 458 Ca 0.01 -2.24 0.05 0.00 0.77 0.00 0.00 66.41 64.99 1sm2 h THR 458 Cb 0.02 3.12 -0.06 0.00 -1.74 0.00 0.00 68.15 69.50 1sm2 h THR 458 CO -0.00 0.61 0.61 -0.07 0.37 0.00 0.00 175.52 177.04 1sm2 h LEU 459 N -0.68 0.99 -0.27 2.58 3.38 -0.80 -1.34 115.31 119.18 1sm2 h LEU 459 Ca -0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1sm2 h LEU 459 Cb 1.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1sm2 h LEU 459 CO 0.05 0.67 0.13 0.25 0.09 0.00 0.00 178.44 179.63 1sm2 h LEU 460 N 1.14 0.36 -1.58 1.67 5.85 -0.70 -2.33 115.31 119.71 1sm2 h LEU 460 Ca 0.38 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1sm2 h LEU 460 Cb 0.07 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1sm2 h LEU 460 CO -0.13 0.38 0.44 1.23 -0.34 0.00 0.00 178.44 180.02 1sm2 h GLY 461 N 0.30 0.67 1.26 3.75 0.00 -1.06 0.73 103.07 108.72 1sm2 h GLY 461 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1sm2 h GLY 461 CO -0.01 0.11 0.11 -0.33 0.00 0.00 0.00 176.54 176.42 1sm2 h MET 462 N 0.46 0.92 -0.36 4.80 2.86 -0.78 0.22 114.93 123.05 1sm2 h MET 462 Ca 0.31 -0.21 -0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1sm2 h MET 462 Cb 0.57 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1sm2 h MET 462 CO -0.09 0.84 -0.37 0.00 1.06 0.00 0.00 176.91 178.35 1sm2 h LEU 464 N 0.70 0.91 0.14 0.00 3.38 -0.74 0.46 115.31 120.17 1sm2 h LEU 464 Ca 0.06 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1sm2 h LEU 464 Cb 0.94 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1sm2 h LEU 464 CO 0.09 0.85 -0.19 0.44 0.09 0.00 0.00 178.44 179.72 1sm2 h ASP 465 N 0.94 -0.52 -0.27 -0.43 3.32 -0.71 0.24 116.42 118.99 1sm2 h ASP 465 Ca 0.21 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1sm2 h ASP 465 Cb 0.28 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1sm2 h ASP 465 CO -0.01 -0.28 0.14 0.58 -1.72 0.00 0.00 179.24 177.95 1sm2 h VAL 466 N -0.38 1.14 -0.61 -1.35 2.07 -0.85 -2.36 116.25 113.90 1sm2 h VAL 466 Ca 0.02 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1sm2 h VAL 466 Cb 0.38 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1sm2 h VAL 466 CO -0.08 0.14 0.40 0.00 0.02 0.00 0.00 177.57 178.05 1sm2 h GLU 468 N 0.67 -0.33 -0.89 0.00 5.08 -0.13 0.11 114.58 119.08 1sm2 h GLU 468 Ca 0.25 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1sm2 h GLU 468 Cb 0.16 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1sm2 h GLU 468 CO -0.07 -0.07 0.58 0.78 -1.00 0.00 0.00 179.01 179.22 1sm2 h GLY 469 N -0.56 1.29 2.00 -3.84 0.00 -0.92 -1.88 103.07 99.16 1sm2 h GLY 469 Ca -0.04 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1sm2 h GLY 469 CO 0.06 0.38 -0.27 -0.33 0.00 0.00 0.00 176.54 176.38 1sm2 h MET 470 N 1.13 0.00 -0.18 4.80 2.86 -0.63 -1.12 114.93 121.79 1sm2 h MET 470 Ca 0.35 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.82 1sm2 h MET 470 Cb -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1sm2 h MET 470 CO -0.11 0.27 -0.60 0.00 1.06 0.00 0.00 176.91 177.53 1sm2 h ALA 471 N 1.73 0.63 0.07 6.32 0.00 -0.29 -0.86 119.26 126.86 1sm2 h ALA 471 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sm2 h ALA 471 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sm2 h ALA 471 CO 0.04 0.70 -0.04 -0.92 0.00 0.00 0.00 179.25 179.03 1sm2 h TYR 472 N 0.44 -0.09 -0.67 0.00 3.20 -0.57 -1.09 116.97 118.18 1sm2 h TYR 472 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1sm2 h TYR 472 Cb 1.16 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 1sm2 h TYR 472 CO 0.05 0.14 0.39 -0.07 -1.64 0.00 0.00 178.16 177.03 1sm2 h LEU 473 N -0.32 0.59 -0.43 2.82 3.38 -1.19 -1.75 115.31 118.41 1sm2 h LEU 473 Ca -0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1sm2 h LEU 473 Cb 0.28 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1sm2 h LEU 473 CO 0.02 0.39 0.18 -0.08 0.09 0.00 0.00 178.44 179.04 1sm2 h GLU 474 N 0.72 0.36 -0.82 1.13 4.81 -1.00 0.14 114.58 119.93 1sm2 h GLU 474 Ca 0.29 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1sm2 h GLU 474 Cb 0.15 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1sm2 h GLU 474 CO -0.16 0.24 0.40 1.49 -0.73 0.00 0.00 179.01 180.24 1sm2 h GLU 475 N 0.37 1.18 0.00 1.92 4.81 -0.72 0.55 114.58 122.70 1sm2 h GLU 475 Ca 0.19 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1sm2 h GLU 475 Cb 0.14 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1sm2 h GLU 475 CO -0.17 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.02 1sm2 n ALA 476 N -2.41 2.40 -3.33 2.92 0.00 -0.70 -4.84 120.51 114.55 1sm2 n ALA 476 Ca 0.08 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 1sm2 n ALA 476 Cb 0.14 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1sm2 n ALA 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm2 s VAL 478 N -3.24 4.58 -0.22 0.00 1.01 0.37 -5.01 120.40 117.90 1sm2 s VAL 478 Ca 0.45 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1sm2 s VAL 478 Cb -0.20 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1sm2 s VAL 478 CO 0.56 0.50 0.04 -0.63 0.00 0.00 0.00 175.10 175.57 1sm2 s ILE 479 N 0.05 4.24 -0.94 2.22 -1.09 -1.26 -4.04 121.20 120.38 1sm2 s ILE 479 Ca 0.04 -0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.07 1sm2 s ILE 479 Cb -0.12 -2.95 0.13 0.00 -1.58 0.00 0.00 42.46 37.93 1sm2 s ILE 479 CO 0.01 0.39 1.15 -2.28 -1.23 0.00 0.00 174.94 172.98 1sm2 s HIS 480 N 1.20 3.11 -1.22 3.97 2.46 -1.26 -4.89 115.29 118.65 1sm2 s HIS 480 Ca 0.04 -1.39 0.00 0.00 0.47 0.00 0.00 55.06 54.18 1sm2 s HIS 480 Cb -0.14 -4.30 0.00 0.00 -0.13 0.00 0.00 32.58 28.00 1sm2 s HIS 480 CO 0.03 -1.51 0.13 0.54 -2.47 0.00 0.00 174.74 171.46 1sm2 n ARG 481 N 6.62 0.21 -2.70 2.88 1.74 -1.26 -3.48 116.66 120.67 1sm2 n ARG 481 Ca 0.25 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.26 1sm2 n ARG 481 Cb 0.49 -1.08 0.09 0.00 -1.02 0.00 0.00 32.46 30.94 1sm2 n ARG 481 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1sm2 n ASP 482 N 0.20 -1.82 -4.69 0.55 2.03 -1.26 -5.07 116.55 106.49 1sm2 n ASP 482 Ca 0.00 -2.56 -0.42 0.00 0.52 0.00 0.00 54.79 52.33 1sm2 n ASP 482 Cb 0.04 1.24 -0.03 0.00 -0.72 0.00 0.00 41.12 41.66 1sm2 n ASP 482 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1sm2 s LEU 483 N -2.63 4.31 0.04 -2.67 2.96 -1.23 -4.82 118.68 114.65 1sm2 s LEU 483 Ca 0.19 1.97 -0.27 0.00 -0.22 0.00 0.00 54.13 55.80 1sm2 s LEU 483 Cb 0.31 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.51 1sm2 s LEU 483 CO -0.08 -0.60 0.69 0.00 -1.32 0.00 0.00 176.35 175.05 1sm2 s ALA 484 N 1.95 -1.71 0.46 5.97 0.00 -1.26 -4.67 121.76 122.51 1sm2 s ALA 484 Ca 0.59 0.92 0.16 0.00 0.00 0.00 0.00 51.96 53.63 1sm2 s ALA 484 Cb -0.28 0.41 1.12 0.00 0.00 0.00 0.00 23.12 24.37 1sm2 s ALA 484 CO 0.25 -0.59 2.00 0.00 0.00 0.00 0.00 175.76 177.42 1sm2 h ALA 485 N 2.37 2.11 -0.33 0.00 0.00 -1.93 0.31 119.26 121.79 1sm2 h ALA 485 Ca -0.29 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1sm2 h ALA 485 Cb 1.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1sm2 h ALA 485 CO 0.37 -0.23 0.22 -0.09 0.00 0.00 0.00 179.25 179.52 1sm2 h ARG 486 N 0.29 0.25 -0.65 0.00 2.43 -1.95 -1.71 114.38 113.04 1sm2 h ARG 486 Ca 0.24 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1sm2 h ARG 486 Cb 0.58 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1sm2 h ARG 486 CO -0.05 0.16 0.00 0.09 -1.51 0.00 0.00 179.97 178.66 1sm2 n ASN 487 N -4.48 4.90 -4.66 -3.80 3.02 0.11 -4.74 115.26 105.61 1sm2 n ASN 487 Ca 0.03 -2.49 -0.30 0.00 -0.03 0.00 0.00 54.58 51.79 1sm2 n ASN 487 Cb 0.22 -0.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.71 1sm2 n ASN 487 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sm2 s LEU 489 N -2.23 2.30 -0.21 0.00 1.43 -0.28 0.46 118.68 120.15 1sm2 s LEU 489 Ca 0.24 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1sm2 s LEU 489 Cb -0.12 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1sm2 s LEU 489 CO 0.17 0.18 0.04 -0.69 0.23 0.00 0.00 176.35 176.27 1sm2 s VAL 490 N -1.03 4.27 0.47 -1.59 1.01 0.34 -1.03 120.40 122.83 1sm2 s VAL 490 Ca 0.13 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1sm2 s VAL 490 Cb -0.10 -2.95 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1sm2 s VAL 490 CO 0.05 0.40 0.93 -0.83 0.00 0.00 0.00 175.10 175.66 1sm2 s GLY 491 N 1.06 2.12 0.00 4.51 0.00 0.64 -1.31 107.32 114.33 1sm2 s GLY 491 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1sm2 s GLY 491 CO 0.02 0.41 0.04 -2.21 0.00 0.00 0.00 173.10 171.36 1sm2 n GLU 492 N -1.31 0.00 -0.02 2.90 2.13 -1.26 0.12 120.64 123.21 1sm2 n GLU 492 Ca 0.06 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.88 1sm2 n GLU 492 Cb 0.54 -1.06 0.01 0.00 0.27 0.00 0.00 31.44 31.20 1sm2 n GLU 492 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1sm2 n ASN 493 N -0.42 1.41 -0.76 4.31 0.23 -1.26 -4.98 115.26 113.79 1sm2 n ASN 493 Ca 0.00 -1.80 -0.10 0.00 -0.53 0.00 0.00 54.58 52.16 1sm2 n ASN 493 Cb 0.00 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 37.62 1sm2 n ASN 493 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1sm2 n GLN 494 N -0.41 -1.09 -3.08 -3.83 7.27 0.33 -5.00 117.38 111.58 1sm2 n GLN 494 Ca 0.01 0.80 -0.33 0.00 0.07 0.00 0.00 57.00 57.55 1sm2 n GLN 494 Cb 0.36 -4.87 -0.06 0.00 2.41 0.00 0.00 30.24 28.08 1sm2 n GLN 494 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1sm2 s VAL 495 N -2.17 4.62 0.05 1.69 1.01 -1.24 -4.80 120.40 119.56 1sm2 s VAL 495 Ca 0.00 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.08 1sm2 s VAL 495 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1sm2 s VAL 495 CO 0.00 -0.20 -0.01 -0.63 0.00 0.00 0.00 175.10 174.26 1sm2 s ILE 496 N -2.01 3.98 0.00 2.22 -1.09 -1.26 -0.26 121.20 122.78 1sm2 s ILE 496 Ca 0.55 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1sm2 s ILE 496 Cb -0.10 -2.84 -0.00 0.00 -1.58 0.00 0.00 42.46 37.94 1sm2 s ILE 496 CO 0.17 0.24 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.57 1sm2 s LYS 497 N -1.95 0.04 0.10 2.79 1.02 -0.20 -4.62 119.74 116.92 1sm2 s LYS 497 Ca 0.22 -0.06 -0.24 0.00 0.02 0.00 0.00 55.97 55.92 1sm2 s LYS 497 Cb -0.12 -0.00 -0.07 0.00 -0.52 0.00 0.00 37.83 37.12 1sm2 s LYS 497 CO 0.14 -0.00 0.74 0.08 -0.92 0.00 0.00 175.35 175.39 1sm2 s VAL 498 N -0.12 4.59 0.00 3.17 1.01 0.15 -1.13 120.40 128.07 1sm2 s VAL 498 Ca -0.01 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1sm2 s VAL 498 Cb -0.01 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1sm2 s VAL 498 CO -0.00 0.45 0.00 -1.54 0.00 0.00 0.00 175.10 174.01 1sm2 n SER 499 N 2.19 1.35 -4.35 3.32 3.41 -0.99 -1.65 113.62 116.90 1sm2 n SER 499 Ca -0.05 -0.12 -0.38 0.00 -0.26 0.00 0.00 58.87 58.07 1sm2 n SER 499 Cb 0.50 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 1sm2 n SER 499 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sm2 n ASP 500 N -0.19 -1.02 -4.08 4.04 -0.08 -1.26 -4.90 116.55 109.06 1sm2 n ASP 500 Ca 0.00 -1.19 -0.34 0.00 -1.51 0.00 0.00 54.79 51.74 1sm2 n ASP 500 Cb 0.00 -1.51 -0.13 0.00 2.34 0.00 0.00 41.12 41.82 1sm2 n ASP 500 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1sm2 s PHE 501 N -3.45 3.63 0.00 -0.67 -0.12 -1.26 -4.89 117.98 111.21 1sm2 s PHE 501 Ca 0.58 -2.65 0.00 0.00 -0.05 0.00 0.00 56.93 54.81 1sm2 s PHE 501 Cb -0.34 -3.12 0.00 0.00 -0.63 0.00 0.00 43.02 38.94 1sm2 s PHE 501 CO 0.97 -0.95 0.00 -0.35 -0.05 0.00 0.00 175.22 174.84 1sm2 n PRO 521 N 4.37 0.00 -0.28 1.99 -0.04 -1.26 -4.98 135.00 134.79 1sm2 n PRO 521 Ca 0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.51 1sm2 n PRO 521 Cb 0.41 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.06 1sm2 n PRO 521 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1sm2 h VAL 522 N 0.00 0.81 0.00 0.52 2.07 -1.98 -2.30 116.25 115.38 1sm2 h VAL 522 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1sm2 h VAL 522 Cb 0.00 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1sm2 h VAL 522 CO 0.00 0.12 0.32 0.11 0.02 0.00 0.00 177.57 178.14 1sm2 h LYS 523 N 0.67 0.00 -0.05 1.57 1.57 -1.96 0.24 116.57 118.61 1sm2 h LYS 523 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1sm2 h LYS 523 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1sm2 h LYS 523 CO -0.31 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.48 1sm2 n TRP 524 N -2.67 0.05 -2.90 -1.35 8.01 -0.88 -4.94 117.44 112.76 1sm2 n TRP 524 Ca -0.02 -0.11 -0.40 0.00 -1.31 0.00 0.00 57.50 55.66 1sm2 n TRP 524 Cb 0.36 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.31 29.60 1sm2 n TRP 524 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1sm2 s ALA 525 N -0.61 3.29 0.76 6.99 0.00 0.84 -3.68 121.76 129.35 1sm2 s ALA 525 Ca 0.08 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 1sm2 s ALA 525 Cb 0.05 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.12 1sm2 s ALA 525 CO 0.08 -0.07 1.08 -1.54 0.00 0.00 0.00 175.76 175.31 1sm2 s SER 526 N 0.46 4.69 0.25 0.00 1.04 -1.26 -4.77 113.70 114.11 1sm2 s SER 526 Ca 0.42 1.64 -0.04 0.00 0.48 0.00 0.00 55.95 58.46 1sm2 s SER 526 Cb -0.20 -2.41 0.41 0.00 0.10 0.00 0.00 66.02 63.92 1sm2 s SER 526 CO 0.24 -1.89 1.83 -0.65 0.98 0.00 0.00 173.24 173.75 1sm2 h PRO 527 N -1.03 0.87 0.00 4.02 0.11 -1.92 0.97 132.00 135.01 1sm2 h PRO 527 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sm2 h PRO 527 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sm2 h PRO 527 CO 0.55 0.57 0.00 -0.85 -0.21 0.00 0.00 178.00 178.06 1sm2 n GLU 528 N -4.68 0.26 -0.12 1.05 0.00 -1.26 -1.23 120.64 114.66 1sm2 n GLU 528 Ca 0.14 0.04 -0.22 0.00 0.00 0.00 0.00 57.16 57.12 1sm2 n GLU 528 Cb 0.26 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.10 1sm2 n GLU 528 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1sm2 n VAL 529 N -1.06 1.36 0.00 3.84 0.31 0.26 -1.15 118.33 121.89 1sm2 n VAL 529 Ca 0.07 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1sm2 n VAL 529 Cb 0.04 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1sm2 n VAL 529 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1sm2 n PHE 530 N -3.68 0.00 -0.08 3.52 0.99 -0.37 -1.79 117.46 116.05 1sm2 n PHE 530 Ca -0.46 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 56.85 1sm2 n PHE 530 Cb 0.89 -0.49 -0.05 0.00 -1.00 0.00 0.00 39.48 38.83 1sm2 n PHE 530 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1sm2 h SER 531 N 0.00 0.82 0.00 4.37 0.02 -1.70 -3.40 113.55 113.66 1sm2 h SER 531 Ca 0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1sm2 h SER 531 Cb 0.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1sm2 h SER 531 CO 0.00 1.19 -0.11 0.49 -1.14 0.00 0.00 176.83 177.26 1sm2 n PHE 532 N -4.15 0.00 -4.14 3.45 3.01 -1.22 -5.02 117.46 109.38 1sm2 n PHE 532 Ca -0.05 -0.51 -0.39 0.00 1.01 0.00 0.00 57.45 57.51 1sm2 n PHE 532 Cb 0.56 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 39.92 1sm2 n PHE 532 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1sm2 n SER 533 N -0.68 -2.12 -4.13 4.37 7.64 -0.74 -4.89 113.62 113.07 1sm2 n SER 533 Ca 0.06 -1.27 -0.38 0.00 1.01 0.00 0.00 58.87 58.30 1sm2 n SER 533 Cb 0.54 -1.79 -0.09 0.00 -1.01 0.00 0.00 64.21 61.85 1sm2 n SER 533 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1sm2 s ARG 534 N -7.32 2.56 0.19 1.43 3.52 -0.30 -4.98 118.95 114.05 1sm2 s ARG 534 Ca 0.29 -2.33 -0.21 0.00 -0.13 0.00 0.00 55.73 53.35 1sm2 s ARG 534 Cb -0.15 -3.79 -0.08 0.00 -1.56 0.00 0.00 34.95 29.37 1sm2 s ARG 534 CO 0.97 -1.17 0.72 0.71 -0.81 0.00 0.00 175.30 175.72 1sm2 s TYR 535 N 0.29 3.72 0.18 5.12 1.51 -1.26 -4.55 117.35 122.37 1sm2 s TYR 535 Ca 0.14 1.42 -0.24 0.00 -1.01 0.00 0.00 57.07 57.39 1sm2 s TYR 535 Cb -0.20 -2.63 0.05 0.00 -0.11 0.00 0.00 41.96 39.07 1sm2 s TYR 535 CO -0.04 0.40 0.78 -1.54 -1.11 0.00 0.00 175.55 174.05 1sm2 s SER 536 N -1.49 -0.32 0.40 2.29 1.04 -1.26 -4.97 113.70 109.39 1sm2 s SER 536 Ca 0.40 -0.34 0.10 0.00 0.48 0.00 0.00 55.95 56.59 1sm2 s SER 536 Cb -0.18 0.59 0.90 0.00 0.10 0.00 0.00 66.02 67.43 1sm2 s SER 536 CO 0.22 -1.05 1.97 0.28 0.98 0.00 0.00 173.24 175.64 1sm2 h SER 537 N 2.00 0.50 0.09 7.02 0.02 -1.97 0.50 113.55 121.71 1sm2 h SER 537 Ca -0.24 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1sm2 h SER 537 Cb 1.26 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1sm2 h SER 537 CO 0.28 0.31 -0.05 0.11 -1.14 0.00 0.00 176.83 176.34 1sm2 h LYS 538 N 0.56 0.00 0.01 3.45 6.56 -1.93 0.87 116.57 126.09 1sm2 h LYS 538 Ca 0.29 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.68 1sm2 h LYS 538 Cb 0.41 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.05 1sm2 h LYS 538 CO -0.09 0.05 -0.94 0.66 -2.06 0.00 0.00 179.45 177.06 1sm2 h SER 539 N 0.00 0.09 -0.52 0.86 4.64 -1.23 -2.94 113.55 114.45 1sm2 h SER 539 Ca -0.00 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1sm2 h SER 539 Cb 0.10 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1sm2 h SER 539 CO 0.01 0.98 0.12 0.44 -0.87 0.00 0.00 176.83 177.51 1sm2 h ASP 540 N 0.03 0.83 -0.73 4.97 3.32 -0.54 -1.90 116.42 122.40 1sm2 h ASP 540 Ca -0.03 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1sm2 h ASP 540 Cb 1.64 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.94 1sm2 h ASP 540 CO 0.13 0.82 0.47 0.58 -1.72 0.00 0.00 179.24 179.52 1sm2 h VAL 541 N 0.85 1.19 0.47 -1.35 2.07 -0.96 0.39 116.25 118.91 1sm2 h VAL 541 Ca 0.18 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1sm2 h VAL 541 Cb 0.33 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1sm2 h VAL 541 CO 0.00 0.19 -0.45 -0.25 0.02 0.00 0.00 177.57 177.08 1sm2 h TRP 542 N 0.99 -1.24 -0.57 1.57 2.91 -1.27 -0.05 115.95 118.27 1sm2 h TRP 542 Ca 0.26 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.41 1sm2 h TRP 542 Cb -0.10 0.48 -0.11 0.00 -0.51 0.00 0.00 29.16 28.92 1sm2 h TRP 542 CO -0.02 -0.62 -0.20 0.77 -1.03 0.00 0.00 178.44 177.34 1sm2 h SER 543 N -0.93 -0.70 -0.56 2.65 0.02 -0.98 0.78 113.55 113.83 1sm2 h SER 543 Ca -0.05 0.19 0.16 0.00 -0.84 0.00 0.00 61.79 61.25 1sm2 h SER 543 Cb 0.81 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 1sm2 h SER 543 CO -0.05 -0.23 0.44 0.15 -1.14 0.00 0.00 176.83 176.00 1sm2 h PHE 544 N -0.06 0.00 -0.12 3.45 3.57 0.53 0.34 116.94 124.65 1sm2 h PHE 544 Ca 0.27 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1sm2 h PHE 544 Cb 0.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1sm2 h PHE 544 CO -0.52 0.00 -0.17 0.78 -2.23 0.00 0.00 178.31 176.17 1sm2 h GLY 545 N 0.00 0.35 1.04 2.40 0.00 0.24 0.74 103.07 107.84 1sm2 h GLY 545 Ca 0.26 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1sm2 h GLY 545 CO -0.00 0.35 0.11 -2.08 0.00 0.00 0.00 176.54 174.92 1sm2 h VAL 546 N -0.09 1.26 -0.23 4.60 2.07 0.03 -1.33 116.25 122.55 1sm2 h VAL 546 Ca 0.01 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1sm2 h VAL 546 Cb 0.73 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1sm2 h VAL 546 CO 0.04 0.37 0.03 0.25 0.02 0.00 0.00 177.57 178.28 1sm2 h LEU 547 N 0.94 0.30 -0.58 2.57 6.46 -0.37 -0.56 115.31 124.07 1sm2 h LEU 547 Ca 0.19 -0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.80 1sm2 h LEU 547 Cb 0.42 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1sm2 h LEU 547 CO 0.01 0.34 -0.17 0.24 -0.62 0.00 0.00 178.44 178.24 1sm2 h MET 548 N 0.33 0.95 0.08 1.25 2.86 -0.11 -2.31 114.93 117.99 1sm2 h MET 548 Ca 0.08 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1sm2 h MET 548 Cb 0.17 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1sm2 h MET 548 CO 0.00 1.04 -0.04 2.35 1.06 0.00 0.00 176.91 181.32 1sm2 h TRP 549 N 0.84 -0.11 -1.00 -0.22 7.01 -0.17 -2.40 115.95 119.91 1sm2 h TRP 549 Ca 0.12 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.22 1sm2 h TRP 549 Cb 0.72 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.74 1sm2 h TRP 549 CO 0.05 0.08 0.64 0.93 -2.79 0.00 0.00 178.44 177.34 1sm2 h GLU 550 N -0.28 1.03 -0.14 2.65 5.08 -1.10 0.26 114.58 122.07 1sm2 h GLU 550 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1sm2 h GLU 550 Cb 0.24 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1sm2 h GLU 550 CO 0.02 0.68 0.07 0.28 -1.00 0.00 0.00 179.01 179.06 1sm2 h VAL 551 N 1.06 1.11 0.00 3.13 2.07 -1.20 0.32 116.25 122.74 1sm2 h VAL 551 Ca 0.47 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.57 1sm2 h VAL 551 Cb 0.36 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1sm2 h VAL 551 CO -0.22 0.10 -0.48 -0.26 0.02 0.00 0.00 177.57 176.73 1sm2 h PHE 552 N 0.12 0.00 0.00 1.57 -1.00 -0.93 -2.66 116.94 114.04 1sm2 h PHE 552 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1sm2 h PHE 552 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1sm2 h PHE 552 CO -0.03 0.48 0.00 -1.13 -1.61 0.00 0.00 178.31 176.02 1sm2 n SER 553 N -3.32 0.00 -2.15 2.17 3.41 0.87 -4.46 113.62 110.14 1sm2 n SER 553 Ca 0.01 0.32 -0.07 0.00 -0.26 0.00 0.00 58.87 58.87 1sm2 n SER 553 Cb 0.67 -0.43 0.03 0.00 -0.26 0.00 0.00 64.21 64.22 1sm2 n SER 553 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sm2 n GLU 554 N -1.43 -1.87 -1.94 4.33 1.02 -0.53 -4.03 120.64 116.18 1sm2 n GLU 554 Ca 0.08 0.37 -0.04 0.00 -0.02 0.00 0.00 57.16 57.55 1sm2 n GLU 554 Cb 0.26 -3.64 -0.00 0.00 -0.02 0.00 0.00 31.44 28.04 1sm2 n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm2 n GLY 555 N -1.22 0.27 3.87 0.62 0.00 0.10 -4.10 105.19 104.74 1sm2 n GLY 555 Ca -0.08 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1sm2 n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sm2 s LYS 556 N -3.93 3.82 -0.09 1.61 1.02 -1.25 -4.77 119.74 116.15 1sm2 s LYS 556 Ca 0.00 0.32 -0.28 0.00 0.02 0.00 0.00 55.97 56.03 1sm2 s LYS 556 Cb 0.00 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1sm2 s LYS 556 CO 0.00 0.27 0.93 0.42 -0.92 0.00 0.00 175.35 176.05 1sm2 s ILE 557 N -1.89 4.86 0.39 2.17 1.01 -1.26 -4.65 121.20 121.83 1sm2 s ILE 557 Ca 0.48 1.89 -0.24 0.00 0.00 0.00 0.00 60.65 62.78 1sm2 s ILE 557 Cb -0.11 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1sm2 s ILE 557 CO 0.22 0.08 1.06 -2.16 0.00 0.00 0.00 174.94 174.14 1sm2 s PRO 558 N 1.64 4.18 -1.35 2.79 0.04 -1.26 -3.65 135.00 137.39 1sm2 s PRO 558 Ca 0.46 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1sm2 s PRO 558 Cb -0.19 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1sm2 s PRO 558 CO 0.19 -0.13 0.43 0.66 0.04 0.00 0.00 177.00 178.19 1sm2 n TYR 559 N 0.02 -1.50 0.41 0.56 4.02 -1.26 -4.89 117.16 114.52 1sm2 n TYR 559 Ca 0.05 0.47 -0.18 0.00 -0.01 0.00 0.00 57.90 58.22 1sm2 n TYR 559 Cb 0.49 -3.15 -0.09 0.00 -0.02 0.00 0.00 39.34 36.57 1sm2 n TYR 559 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1sm2 h GLU 560 N -2.06 -0.97 -1.96 -0.72 4.81 -2.00 -3.06 114.58 108.62 1sm2 h GLU 560 Ca -0.67 0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 58.36 1sm2 h GLU 560 Cb 1.39 0.22 -0.10 0.00 0.63 0.00 0.00 28.75 30.89 1sm2 h GLU 560 CO 0.60 -0.64 -0.06 0.09 -0.73 0.00 0.00 179.01 178.27 1sm2 n ASN 561 N -5.52 5.70 -3.85 1.04 3.02 -1.26 -4.86 115.26 109.53 1sm2 n ASN 561 Ca -0.14 -2.72 -0.12 0.00 -0.03 0.00 0.00 54.58 51.56 1sm2 n ASN 561 Cb 0.41 -1.30 -0.13 0.00 -0.61 0.00 0.00 39.78 38.15 1sm2 n ASN 561 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sm2 s ARG 562 N -0.11 0.14 0.57 3.52 0.52 -1.16 -5.12 118.95 117.31 1sm2 s ARG 562 Ca 0.54 0.05 -0.03 0.00 -0.52 0.00 0.00 55.73 55.76 1sm2 s ARG 562 Cb 0.29 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.85 1sm2 s ARG 562 CO -0.06 -0.02 0.85 -1.54 0.02 0.00 0.00 175.30 174.54 1sm2 s SER 563 N -0.14 5.43 0.20 0.23 1.04 -1.26 -4.88 113.70 114.33 1sm2 s SER 563 Ca -0.02 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.75 1sm2 s SER 563 Cb -0.02 -1.40 0.14 0.00 0.10 0.00 0.00 66.02 64.85 1sm2 s SER 563 CO 0.00 -1.10 1.82 0.78 0.98 0.00 0.00 173.24 175.72 1sm2 h ASN 564 N -0.09 0.94 -0.78 7.02 2.35 -1.99 -0.41 115.58 122.61 1sm2 h ASN 564 Ca -0.45 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.21 1sm2 h ASN 564 Cb 1.27 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 39.37 1sm2 h ASN 564 CO 0.58 0.77 0.52 0.77 -1.65 0.00 0.00 177.43 178.43 1sm2 h SER 565 N 1.03 0.89 -0.15 5.81 4.64 -1.99 -1.41 113.55 122.37 1sm2 h SER 565 Ca 0.26 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1sm2 h SER 565 Cb 0.05 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1sm2 h SER 565 CO -0.04 0.64 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.10 1sm2 h GLU 566 N 1.05 0.35 -0.20 4.77 5.08 -1.67 -2.27 114.58 121.69 1sm2 h GLU 566 Ca 0.29 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1sm2 h GLU 566 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1sm2 h GLU 566 CO -0.07 0.72 0.11 0.28 -1.00 0.00 0.00 179.01 179.05 1sm2 h VAL 567 N -0.01 1.11 -1.01 3.13 2.07 -0.89 0.44 116.25 121.09 1sm2 h VAL 567 Ca 0.03 -0.29 0.14 0.00 0.82 0.00 0.00 66.70 67.39 1sm2 h VAL 567 Cb 0.65 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 31.27 1sm2 h VAL 567 CO 0.03 0.10 0.63 0.58 0.02 0.00 0.00 177.57 178.94 1sm2 h VAL 568 N 0.22 0.86 0.45 2.57 2.07 -1.28 0.18 116.25 121.31 1sm2 h VAL 568 Ca 0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1sm2 h VAL 568 Cb 0.07 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.69 1sm2 h VAL 568 CO -0.01 0.17 -0.21 -0.08 0.02 0.00 0.00 177.57 177.46 1sm2 h GLU 569 N 0.94 -0.58 -0.28 1.57 4.81 -0.70 -2.74 114.58 117.60 1sm2 h GLU 569 Ca 0.52 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.85 1sm2 h GLU 569 Cb 0.60 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 1sm2 h GLU 569 CO -0.30 -0.27 -0.14 -0.44 -0.73 0.00 0.00 179.01 177.13 1sm2 h ASP 570 N -0.98 -0.48 -0.50 1.04 3.32 -0.54 -1.62 116.42 116.66 1sm2 h ASP 570 Ca -0.06 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1sm2 h ASP 570 Cb 0.57 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1sm2 h ASP 570 CO 0.10 -0.18 0.32 0.40 -1.72 0.00 0.00 179.24 178.16 1sm2 h ILE 571 N -0.10 1.14 -0.25 0.35 2.04 -1.05 -1.15 117.51 118.48 1sm2 h ILE 571 Ca 0.15 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 1sm2 h ILE 571 Cb 0.33 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1sm2 h ILE 571 CO -0.35 0.14 -0.27 0.28 0.00 0.00 0.00 178.15 177.96 1sm2 h SER 572 N 0.70 0.48 0.93 1.72 0.02 -1.03 -2.61 113.55 113.76 1sm2 h SER 572 Ca 0.19 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1sm2 h SER 572 Cb -0.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1sm2 h SER 572 CO -0.04 0.74 0.00 0.35 -1.14 0.00 0.00 176.83 176.74 1sm2 n THR 573 N -4.11 0.37 0.00 -2.27 -2.24 -0.69 -4.88 114.28 100.46 1sm2 n THR 573 Ca -0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1sm2 n THR 573 Cb 0.42 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1sm2 n THR 573 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sm2 n GLY 574 N 1.03 1.23 3.76 3.38 0.00 -0.98 -5.10 105.19 108.51 1sm2 n GLY 574 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1sm2 n GLY 574 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sm2 s PHE 575 N -1.98 2.58 -0.01 1.61 5.36 -0.52 -4.98 117.98 120.05 1sm2 s PHE 575 Ca 0.00 1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 57.27 1sm2 s PHE 575 Cb 0.00 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 1sm2 s PHE 575 CO 0.00 -2.57 0.09 1.03 -1.46 0.00 0.00 175.22 172.31 1sm2 s ARG 576 N -2.44 0.30 0.30 10.12 3.00 -1.26 -4.33 118.95 124.63 1sm2 s ARG 576 Ca 0.61 -0.21 -0.29 0.00 0.00 0.00 0.00 55.73 55.84 1sm2 s ARG 576 Cb -0.41 0.12 -0.13 0.00 0.00 0.00 0.00 34.95 34.53 1sm2 s ARG 576 CO 0.52 -0.06 1.16 1.28 0.00 0.00 0.00 175.30 178.20 1sm2 n LEU 577 N 2.14 2.56 -4.71 2.53 4.77 -1.26 -4.94 117.00 118.09 1sm2 n LEU 577 Ca -0.19 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.67 1sm2 n LEU 577 Cb 0.57 -1.37 0.14 0.00 -2.33 0.00 0.00 43.42 40.43 1sm2 n LEU 577 CO 0.21 -0.96 0.69 -0.72 -1.33 0.00 0.00 177.39 175.28 1sm2 s TYR 578 N -0.92 1.93 0.09 -1.77 -0.85 -1.26 -4.97 117.35 109.61 1sm2 s TYR 578 Ca 0.59 1.71 -0.30 0.00 -0.52 0.00 0.00 57.07 58.56 1sm2 s TYR 578 Cb -0.66 -3.26 -0.05 0.00 0.38 0.00 0.00 41.96 38.37 1sm2 s TYR 578 CO 0.59 -2.49 1.02 0.21 -1.52 0.00 0.00 175.55 173.37 1sm2 s LYS 579 N -4.69 4.61 0.58 -3.49 2.20 -1.26 -5.03 119.74 112.67 1sm2 s LYS 579 Ca 0.65 1.53 -0.17 0.00 -0.36 0.00 0.00 55.97 57.63 1sm2 s LYS 579 Cb -0.21 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1sm2 s LYS 579 CO 0.57 0.07 1.09 -2.14 -0.36 0.00 0.00 175.35 174.57 1sm2 s PRO 580 N 0.31 3.26 0.30 4.03 0.02 -1.26 -4.94 135.00 136.72 1sm2 s PRO 580 Ca 0.50 1.38 0.01 0.00 0.02 0.00 0.00 61.00 62.91 1sm2 s PRO 580 Cb -0.25 -2.01 0.55 0.00 0.02 0.00 0.00 34.50 32.81 1sm2 s PRO 580 CO 0.30 -0.88 1.90 0.07 -0.33 0.00 0.00 177.00 178.06 1sm2 h ARG 581 N 0.68 0.98 0.00 5.54 0.11 -1.96 -0.91 114.38 118.82 1sm2 h ARG 581 Ca -0.48 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.54 1sm2 h ARG 581 Cb 1.24 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1sm2 h ARG 581 CO 0.57 0.65 0.00 1.28 0.10 0.00 0.00 179.97 182.56 1sm2 n LEU 582 N -4.51 0.00 -4.71 0.08 4.77 -1.26 -4.76 117.00 106.61 1sm2 n LEU 582 Ca 0.15 0.34 -0.38 0.00 -0.03 0.00 0.00 56.01 56.09 1sm2 n LEU 582 Cb 0.24 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1sm2 n LEU 582 CO 0.32 -0.08 0.15 0.00 -1.33 0.00 0.00 177.39 176.45 1sm2 s ALA 583 N -2.69 3.51 0.96 -1.18 0.00 -0.35 -4.79 121.76 117.22 1sm2 s ALA 583 Ca 0.19 -0.29 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 1sm2 s ALA 583 Cb 0.15 -2.65 0.16 0.00 0.00 0.00 0.00 23.12 20.79 1sm2 s ALA 583 CO 0.37 -0.10 1.13 -1.54 0.00 0.00 0.00 175.76 175.62 1sm2 s SER 584 N 0.75 3.07 0.36 0.00 1.04 -1.26 -4.80 113.70 112.86 1sm2 s SER 584 Ca 0.24 0.96 0.12 0.00 0.48 0.00 0.00 55.95 57.75 1sm2 s SER 584 Cb -0.15 -1.52 0.67 0.00 0.10 0.00 0.00 66.02 65.13 1sm2 s SER 584 CO 0.09 -2.82 1.80 0.71 0.98 0.00 0.00 173.24 174.00 1sm2 h THR 585 N -1.69 1.28 -0.02 2.02 1.35 -1.98 -2.69 112.91 111.19 1sm2 h THR 585 Ca -0.51 -1.35 -0.16 0.00 -0.55 0.00 0.00 66.41 63.84 1sm2 h THR 585 Cb 1.33 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 1sm2 h THR 585 CO 0.58 0.39 -0.72 0.45 -0.25 0.00 0.00 175.52 175.97 1sm2 h HIS 586 N 0.02 0.21 -0.32 4.73 3.86 -2.00 -2.33 115.15 119.32 1sm2 h HIS 586 Ca -0.00 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1sm2 h HIS 586 Cb 0.70 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 1sm2 h HIS 586 CO 0.00 0.82 0.07 0.28 0.86 0.00 0.00 177.93 179.96 1sm2 h VAL 587 N 0.10 1.22 -0.40 2.45 2.07 -1.85 -2.19 116.25 117.66 1sm2 h VAL 587 Ca -0.02 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1sm2 h VAL 587 Cb 1.27 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1sm2 h VAL 587 CO 0.11 0.25 0.02 0.22 0.02 0.00 0.00 177.57 178.19 1sm2 h TYR 588 N 0.36 0.64 -0.48 1.57 3.20 -1.43 0.68 116.97 121.52 1sm2 h TYR 588 Ca 0.10 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1sm2 h TYR 588 Cb 0.31 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1sm2 h TYR 588 CO 0.02 0.61 0.31 1.96 -1.64 0.00 0.00 178.16 179.42 1sm2 h GLN 589 N 0.59 0.62 -0.76 1.82 4.20 -1.14 0.32 115.11 120.76 1sm2 h GLN 589 Ca 0.13 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 1sm2 h GLN 589 Cb 0.35 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1sm2 h GLN 589 CO 0.01 0.41 0.33 0.82 -0.67 0.00 0.00 178.83 179.73 1sm2 h ILE 590 N 0.64 1.25 -0.65 2.54 1.08 -0.76 -0.75 117.51 120.86 1sm2 h ILE 590 Ca 0.18 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 1sm2 h ILE 590 Cb -0.06 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 1sm2 h ILE 590 CO -0.04 0.31 0.31 0.24 -0.69 0.00 0.00 178.15 178.28 1sm2 h MET 591 N 1.09 0.93 0.00 2.37 2.86 0.49 -2.81 114.93 119.86 1sm2 h MET 591 Ca 0.26 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1sm2 h MET 591 Cb 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1sm2 h MET 591 CO -0.03 0.74 -0.30 -0.91 1.06 0.00 0.00 176.91 177.48 1sm2 h ASN 592 N 0.90 0.00 1.18 1.22 2.35 0.06 -1.65 115.58 119.64 1sm2 h ASN 592 Ca 0.22 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1sm2 h ASN 592 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1sm2 h ASN 592 CO -0.03 0.30 -0.29 0.45 -1.65 0.00 0.00 177.43 176.22 1sm2 h HIS 593 N 0.00 0.00 0.00 1.19 3.86 -0.93 -2.13 115.15 117.13 1sm2 h HIS 593 Ca -0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1sm2 h HIS 593 Cb 0.74 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.20 1sm2 h HIS 593 CO 0.00 0.29 -0.35 0.00 0.86 0.00 0.00 177.93 178.72 1sm2 n TRP 595 N -3.27 2.30 -0.94 0.00 8.01 -0.82 -3.77 117.44 118.95 1sm2 n TRP 595 Ca 0.02 -1.40 -0.30 0.00 -1.31 0.00 0.00 57.50 54.50 1sm2 n TRP 595 Cb 0.61 -0.70 0.15 0.00 -2.01 0.00 0.00 31.31 29.37 1sm2 n TRP 595 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1sm2 s LYS 596 N -3.10 1.10 0.05 -0.99 -0.14 -1.12 -4.94 119.74 110.61 1sm2 s LYS 596 Ca 0.53 1.17 -0.17 0.00 -1.36 0.00 0.00 55.97 56.14 1sm2 s LYS 596 Cb 0.44 -1.76 -0.17 0.00 -1.68 0.00 0.00 37.83 34.65 1sm2 s LYS 596 CO 0.10 -2.45 1.25 0.93 -0.76 0.00 0.00 175.35 174.43 1sm2 h GLU 597 N -1.72 0.55 -5.45 1.68 4.39 -1.93 -3.44 114.58 108.66 1sm2 h GLU 597 Ca -0.47 -0.43 -0.62 0.00 0.34 0.00 0.00 59.36 58.17 1sm2 h GLU 597 Cb 1.27 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.88 1sm2 h GLU 597 CO 0.48 1.06 0.10 1.03 -1.16 0.00 0.00 179.01 180.52 1sm2 s ARG 598 N -3.74 3.97 0.33 2.33 0.52 -1.26 -4.79 118.95 116.31 1sm2 s ARG 598 Ca -0.13 0.33 0.12 0.00 -0.52 0.00 0.00 55.73 55.53 1sm2 s ARG 598 Cb 0.06 -3.70 1.01 0.00 0.52 0.00 0.00 34.95 32.84 1sm2 s ARG 598 CO 0.83 -0.49 1.65 -1.00 0.02 0.00 0.00 175.30 176.31 1sm2 h PRO 599 N 8.10 0.26 -0.97 3.54 0.13 -1.93 0.36 132.00 141.50 1sm2 h PRO 599 Ca -0.27 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1sm2 h PRO 599 Cb 1.12 -0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.12 1sm2 h PRO 599 CO 0.77 0.17 0.60 1.05 -0.23 0.00 0.00 178.00 180.36 1sm2 h GLU 600 N 0.26 0.97 0.00 0.86 4.11 -1.97 -1.75 114.58 117.07 1sm2 h GLU 600 Ca 0.70 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 60.07 1sm2 h GLU 600 Cb 1.57 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1sm2 h GLU 600 CO -0.64 0.64 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 1sm2 n ASP 601 N -4.61 0.00 -4.84 3.06 8.00 0.13 -4.78 116.55 113.50 1sm2 n ASP 601 Ca 0.17 -0.66 -0.37 0.00 0.71 0.00 0.00 54.79 54.63 1sm2 n ASP 601 Cb 0.29 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1sm2 n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sm2 s ARG 602 N -2.14 3.95 0.54 -1.24 0.52 -0.66 -4.90 118.95 115.02 1sm2 s ARG 602 Ca 0.37 0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 55.83 1sm2 s ARG 602 Cb 0.18 -3.14 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 1sm2 s ARG 602 CO 0.34 0.63 1.14 -1.25 0.02 0.00 0.00 175.30 176.17 1sm2 s PRO 603 N -1.36 3.39 0.68 3.54 0.04 -1.26 -5.02 135.00 135.00 1sm2 s PRO 603 Ca 0.28 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 1sm2 s PRO 603 Cb -0.16 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1sm2 s PRO 603 CO 0.16 -0.83 1.07 0.00 0.04 0.00 0.00 177.00 177.44 1sm2 s ALA 604 N -1.74 2.90 0.44 8.56 0.00 -1.26 -4.82 121.76 125.84 1sm2 s ALA 604 Ca 0.72 -0.18 0.14 0.00 0.00 0.00 0.00 51.96 52.63 1sm2 s ALA 604 Cb -0.25 -3.07 1.03 0.00 0.00 0.00 0.00 23.12 20.83 1sm2 s ALA 604 CO 0.28 -1.01 1.99 0.74 0.00 0.00 0.00 175.76 177.75 1sm2 h PHE 605 N -0.56 0.42 -0.52 0.00 -1.00 -1.92 -0.77 116.94 112.60 1sm2 h PHE 605 Ca -0.45 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.33 1sm2 h PHE 605 Cb 1.22 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.62 1sm2 h PHE 605 CO 0.58 0.21 0.26 0.66 -1.61 0.00 0.00 178.31 178.40 1sm2 h SER 606 N 0.40 0.67 -0.29 2.17 4.64 -1.91 -0.93 113.55 118.31 1sm2 h SER 606 Ca 0.26 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 1sm2 h SER 606 Cb 0.50 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1sm2 h SER 606 CO -0.07 0.60 -0.46 -0.09 -0.87 0.00 0.00 176.83 175.94 1sm2 h ARG 607 N 0.69 0.86 -0.05 4.77 9.65 -1.67 -3.14 114.38 125.48 1sm2 h ARG 607 Ca 0.18 -0.49 0.02 0.00 -1.10 0.00 0.00 59.98 58.59 1sm2 h ARG 607 Cb 0.10 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1sm2 h ARG 607 CO -0.02 1.13 -0.07 -0.07 2.80 0.00 0.00 179.97 183.73 1sm2 h LEU 608 N 0.68 -0.22 -0.99 3.80 3.38 -0.92 -1.52 115.31 119.52 1sm2 h LEU 608 Ca 0.04 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.17 1sm2 h LEU 608 Cb 1.05 0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.77 1sm2 h LEU 608 CO 0.10 -0.10 -0.49 -0.11 0.09 0.00 0.00 178.44 177.93 1sm2 n LEU 609 N -5.20 -0.86 -0.04 1.67 7.94 -0.37 -0.34 117.00 119.80 1sm2 n LEU 609 Ca -0.05 1.74 -0.09 0.00 -1.11 0.00 0.00 56.01 56.50 1sm2 n LEU 609 Cb 0.12 -0.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.74 1sm2 n LEU 609 CO 0.28 -1.49 0.91 0.03 -1.11 0.00 0.00 177.39 176.01 1sm2 h ARG 610 N 0.00 0.15 -0.54 1.96 -0.00 -1.47 -0.07 114.38 114.41 1sm2 h ARG 610 Ca 0.24 -0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.76 1sm2 h ARG 610 Cb 0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.38 1sm2 h ARG 610 CO -0.95 0.10 0.29 1.96 0.00 0.00 0.00 179.97 181.36 1sm2 h GLN 611 N 0.16 0.54 -0.45 0.04 4.20 -0.06 0.16 115.11 119.69 1sm2 h GLN 611 Ca 0.08 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1sm2 h GLN 611 Cb 0.05 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1sm2 h GLN 611 CO -0.08 0.35 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.30 1sm2 h LEU 612 N 0.55 0.76 -1.15 1.46 3.38 -0.42 0.27 115.31 120.16 1sm2 h LEU 612 Ca 0.24 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1sm2 h LEU 612 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sm2 h LEU 612 CO -0.15 0.87 -0.02 0.00 0.09 0.00 0.00 178.44 179.22 1sm2 h ALA 613 N 1.21 1.30 -0.07 1.53 0.00 0.14 -2.50 119.26 120.87 1sm2 h ALA 613 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1sm2 h ALA 613 Cb 0.53 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1sm2 h ALA 613 CO 0.03 0.47 -0.04 0.93 0.00 0.00 0.00 179.25 180.65 1sm2 h GLU 614 N 0.54 0.16 -1.44 0.00 5.08 -0.18 -2.73 114.58 116.01 1sm2 h GLU 614 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1sm2 h GLU 614 Cb 0.38 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1sm2 h GLU 614 CO 0.02 0.53 0.00 -0.89 -1.00 0.00 0.00 179.01 177.67 1sm2 n ILE 615 N -4.76 0.58 -0.44 3.13 5.41 0.03 -1.07 119.36 122.23 1sm2 n ILE 615 Ca -0.07 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1sm2 n ILE 615 Cb 0.26 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1sm2 n ILE 615 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sm2 n ALA 616 N 0.73 1.45 -0.84 -1.39 0.00 -1.03 -4.97 120.51 114.46 1sm2 n ALA 616 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1sm2 n ALA 616 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1sm2 n ALA 616 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59