#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fzs s ALA 421 N 0.00 3.48 0.45 -1.39 0.00 -1.26 -4.78 121.76 118.26 3fzs s ALA 421 Ca 0.00 0.21 0.12 0.00 0.00 0.00 0.00 51.96 52.29 3fzs s ALA 421 Cb 0.00 -2.85 1.02 0.00 0.00 0.00 0.00 23.12 21.30 3fzs s ALA 421 CO 0.00 0.27 2.04 -0.09 0.00 0.00 0.00 175.76 177.98 3fzs h ARG 422 N 4.80 0.36 0.00 0.00 2.43 -2.00 -0.71 114.38 119.26 3fzs h ARG 422 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3fzs h ARG 422 Cb 1.21 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3fzs h ARG 422 CO 0.67 0.24 0.00 1.05 -1.51 0.00 0.00 179.97 180.42 3fzs h GLU 423 N 0.37 0.00 -0.00 0.20 4.11 -2.02 -1.85 114.58 115.39 3fzs h GLU 423 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3fzs h GLU 423 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3fzs h GLU 423 CO -0.04 0.00 -0.06 -0.25 0.07 0.00 0.00 179.01 178.73 3fzs n ASP 424 N -2.79 0.18 -4.18 3.06 8.00 -0.27 -4.75 116.55 115.81 3fzs n ASP 424 Ca -0.01 -0.24 -0.34 0.00 0.71 0.00 0.00 54.79 54.91 3fzs n ASP 424 Cb 0.17 -0.21 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 3fzs n ASP 424 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fzs s VAL 425 N -2.59 2.49 -0.24 2.53 1.01 -0.70 -0.96 120.40 121.94 3fzs s VAL 425 Ca 0.27 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3fzs s VAL 425 Cb 0.20 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 3fzs s VAL 425 CO 0.48 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 175.38 3fzs s VAL 426 N 1.34 3.91 0.27 2.92 1.01 -0.13 -4.96 120.40 124.76 3fzs s VAL 426 Ca 0.04 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 3fzs s VAL 426 Cb -0.14 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.31 3fzs s VAL 426 CO -0.09 0.34 0.90 -0.76 0.00 0.00 0.00 175.10 175.49 3fzs s LEU 427 N 1.55 4.48 -0.11 3.92 1.43 -1.26 -0.13 118.68 128.56 3fzs s LEU 427 Ca 0.06 1.81 -0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3fzs s LEU 427 Cb -0.15 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 3fzs s LEU 427 CO 0.01 0.06 -0.11 0.59 0.23 0.00 0.00 176.35 177.13 3fzs n ASN 428 N 1.02 2.75 -3.54 2.29 3.02 0.84 -4.94 115.26 116.71 3fzs n ASN 428 Ca -0.01 -0.03 -0.07 0.00 -0.03 0.00 0.00 54.58 54.45 3fzs n ASN 428 Cb 0.49 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3fzs n ASN 428 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fzs s ARG 429 N -2.22 0.66 -0.06 3.52 1.70 -1.20 -5.01 118.95 116.34 3fzs s ARG 429 Ca -0.15 -0.25 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 3fzs s ARG 429 Cb 0.04 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 3fzs s ARG 429 CO 0.25 -0.29 0.99 0.42 -1.08 0.00 0.00 175.30 175.59 3fzs s ILE 430 N -2.89 4.82 -0.07 4.99 1.01 -1.26 -0.25 121.20 127.55 3fzs s ILE 430 Ca 0.07 2.05 0.04 0.00 0.00 0.00 0.00 60.65 62.81 3fzs s ILE 430 Cb -0.01 -4.31 -0.25 0.00 0.01 0.00 0.00 42.46 37.90 3fzs s ILE 430 CO -0.07 0.07 0.58 -0.07 0.00 0.00 0.00 174.94 175.44 3fzs h LEU 431 N 7.52 0.18 0.00 2.97 3.38 -0.34 -3.46 115.31 125.56 3fzs h LEU 431 Ca -0.35 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.23 3fzs h LEU 431 Cb 1.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3fzs h LEU 431 CO 0.81 1.35 0.00 0.61 0.09 0.00 0.00 178.44 181.30 3fzs n GLY 432 N 1.72 -0.04 3.41 0.83 0.00 -1.09 -5.00 105.19 105.01 3fzs n GLY 432 Ca -0.22 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.43 3fzs n GLY 432 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fzs s GLU 433 N -2.00 3.04 0.99 1.61 8.01 -1.26 -0.13 118.70 128.96 3fzs s GLU 433 Ca 0.00 -1.16 -0.17 0.00 0.01 0.00 0.00 54.97 53.65 3fzs s GLU 433 Cb 0.00 -4.13 0.25 0.00 -4.31 0.00 0.00 34.13 25.94 3fzs s GLU 433 CO 0.00 -1.15 0.85 0.41 0.01 0.00 0.00 175.26 175.39 3fzs n GLY 434 N 5.19 -2.80 0.16 -1.39 0.00 0.82 -4.92 105.19 102.24 3fzs n GLY 434 Ca -0.10 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 3fzs n GLY 434 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3fzs h PHE 435 N -2.54 0.11 0.00 1.61 3.57 -1.97 -3.28 116.94 114.44 3fzs h PHE 435 Ca -0.32 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3fzs h PHE 435 Cb 1.00 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3fzs h PHE 435 CO 0.00 0.64 -0.62 1.19 -2.23 0.00 0.00 178.31 177.30 3fzs n PHE 436 N -3.87 0.00 0.00 0.41 3.72 -1.26 -5.05 117.46 111.41 3fzs n PHE 436 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3fzs n PHE 436 Cb 0.59 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3fzs n PHE 436 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fzs n GLY 437 N 1.33 -0.05 3.74 1.37 0.00 -1.14 0.51 105.19 110.95 3fzs n GLY 437 Ca 0.02 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 3fzs n GLY 437 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fzs s GLU 438 N -2.00 2.36 -0.17 1.61 8.01 -1.26 -0.13 118.70 127.12 3fzs s GLU 438 Ca 0.00 1.55 -0.03 0.00 0.01 0.00 0.00 54.97 56.50 3fzs s GLU 438 Cb 0.00 -1.88 -0.02 0.00 -4.31 0.00 0.00 34.13 27.92 3fzs s GLU 438 CO 0.00 -1.62 -0.07 0.08 0.01 0.00 0.00 175.26 173.66 3fzs s VAL 439 N -2.24 3.44 0.07 2.63 1.01 0.81 -2.19 120.40 123.93 3fzs s VAL 439 Ca 0.70 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3fzs s VAL 439 Cb -0.24 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3fzs s VAL 439 CO 0.45 0.47 0.03 -0.31 0.00 0.00 0.00 175.10 175.74 3fzs s TYR 440 N 0.80 3.08 0.15 5.22 2.02 -0.13 0.42 117.35 128.91 3fzs s TYR 440 Ca -0.02 0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.52 3fzs s TYR 440 Cb -0.15 -1.59 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 3fzs s TYR 440 CO 0.01 0.49 0.62 -2.00 -1.57 0.00 0.00 175.55 173.11 3fzs s GLU 441 N -2.23 4.17 0.35 -0.62 2.12 0.66 -0.09 118.70 123.06 3fzs s GLU 441 Ca 0.26 0.73 -0.04 0.00 0.36 0.00 0.00 54.97 56.28 3fzs s GLU 441 Cb -0.12 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.24 3fzs s GLU 441 CO 0.18 0.51 0.52 0.20 -0.54 0.00 0.00 175.26 176.14 3fzs s GLY 442 N -1.46 1.33 -0.12 -1.50 0.00 0.27 -0.11 107.32 105.73 3fzs s GLY 442 Ca 0.36 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3fzs s GLY 442 CO 0.20 -0.90 -0.15 0.14 0.00 0.00 0.00 173.10 172.39 3fzs s VAL 443 N -2.96 1.54 -0.26 1.40 1.01 0.82 -0.98 120.40 120.97 3fzs s VAL 443 Ca 0.28 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3fzs s VAL 443 Cb -0.01 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3fzs s VAL 443 CO 0.19 0.45 0.16 -0.47 0.00 0.00 0.00 175.10 175.43 3fzs s TYR 444 N 1.13 3.23 -0.40 5.22 5.04 0.13 -0.96 117.35 130.74 3fzs s TYR 444 Ca -0.03 0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 54.52 3fzs s TYR 444 Cb -0.14 -2.32 0.01 0.00 0.35 0.00 0.00 41.96 39.86 3fzs s TYR 444 CO -0.04 -0.11 0.35 0.99 -1.34 0.00 0.00 175.55 175.40 3fzs s THR 445 N 1.48 5.19 1.03 4.34 2.01 -0.13 -0.65 115.64 128.91 3fzs s THR 445 Ca 0.07 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 3fzs s THR 445 Cb -0.15 -3.94 0.23 0.00 0.01 0.00 0.00 72.50 68.65 3fzs s THR 445 CO 0.08 -0.30 1.29 0.54 -0.69 0.00 0.00 174.62 175.54 3fzs s ASN 446 N 1.73 2.49 0.61 3.53 2.20 -1.06 -4.83 114.94 119.61 3fzs s ASN 446 Ca 0.08 0.28 0.41 0.00 -0.94 0.00 0.00 52.86 52.69 3fzs s ASN 446 Cb -0.18 -0.31 2.18 0.00 -2.00 0.00 0.00 41.25 40.93 3fzs s ASN 446 CO 0.11 -3.12 2.25 1.12 -2.94 0.00 0.00 177.10 174.52 3fzs h HIS 447 N -1.91 0.00 -0.01 1.54 -0.00 -1.98 0.41 115.15 113.20 3fzs h HIS 447 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 3fzs h HIS 447 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3fzs h HIS 447 CO -1.56 0.00 -0.24 1.17 -0.00 0.00 0.00 177.93 177.31 3fzs n LYS 448 N -2.97 0.77 -0.67 5.12 4.81 -1.26 -4.93 118.16 119.03 3fzs n LYS 448 Ca -0.02 -0.42 0.00 0.00 -0.87 0.00 0.00 58.31 56.99 3fzs n LYS 448 Cb 0.09 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.65 3fzs n LYS 448 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fzs n GLY 449 N 1.34 1.07 3.75 3.14 0.00 0.13 -5.03 105.19 109.59 3fzs n GLY 449 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3fzs n GLY 449 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fzs s GLU 450 N -0.23 4.82 -0.27 1.61 -1.05 -1.26 -4.82 118.70 117.50 3fzs s GLU 450 Ca 0.00 1.48 -0.12 0.00 -0.15 0.00 0.00 54.97 56.18 3fzs s GLU 450 Cb 0.00 -3.22 -0.05 0.00 -0.44 0.00 0.00 34.13 30.43 3fzs s GLU 450 CO 0.00 0.48 0.24 0.15 0.95 0.00 0.00 175.26 177.08 3fzs s LYS 451 N -1.30 3.98 -0.19 -4.83 1.02 -1.26 -2.57 119.74 114.59 3fzs s LYS 451 Ca 0.42 -0.21 -0.04 0.00 0.02 0.00 0.00 55.97 56.17 3fzs s LYS 451 Cb -0.25 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 3fzs s LYS 451 CO 0.31 -0.19 -0.04 0.42 -0.92 0.00 0.00 175.35 174.93 3fzs s ILE 452 N 1.79 3.59 0.21 2.17 1.09 0.17 -4.94 121.20 125.28 3fzs s ILE 452 Ca 0.09 -0.44 -0.30 0.00 -1.10 0.00 0.00 60.65 58.90 3fzs s ILE 452 Cb -0.16 -2.60 -0.10 0.00 -1.06 0.00 0.00 42.46 38.55 3fzs s ILE 452 CO 0.10 0.46 1.45 0.20 -0.10 0.00 0.00 174.94 177.04 3fzs s ASN 453 N 0.93 6.68 0.06 3.58 0.01 -1.26 -0.70 114.94 124.25 3fzs s ASN 453 Ca -0.00 2.59 0.02 0.00 -0.71 0.00 0.00 52.86 54.76 3fzs s ASN 453 Cb -0.15 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.87 3fzs s ASN 453 CO 0.01 -0.70 -0.07 0.68 -1.51 0.00 0.00 177.10 175.50 3fzs s VAL 454 N 0.35 0.59 -0.16 1.60 -7.23 -0.15 -1.24 120.40 114.16 3fzs s VAL 454 Ca 0.62 -1.40 -0.06 0.00 -1.81 0.00 0.00 61.98 59.33 3fzs s VAL 454 Cb -0.41 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3fzs s VAL 454 CO 0.39 -0.57 0.03 0.00 -0.31 0.00 0.00 175.10 174.64 3fzs s ALA 455 N -2.24 3.33 -0.26 1.32 0.00 -0.10 -0.56 121.76 123.25 3fzs s ALA 455 Ca -0.02 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3fzs s ALA 455 Cb -0.04 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.35 3fzs s ALA 455 CO -0.02 0.28 -0.09 0.08 0.00 0.00 0.00 175.76 176.01 3fzs s VAL 456 N 0.09 2.49 0.02 0.00 1.01 0.87 -0.17 120.40 124.72 3fzs s VAL 456 Ca 0.04 -1.36 -0.19 0.00 0.00 0.00 0.00 61.98 60.46 3fzs s VAL 456 Cb -0.13 -2.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 3fzs s VAL 456 CO 0.01 0.07 0.56 -0.54 0.00 0.00 0.00 175.10 175.21 3fzs s LYS 457 N 1.21 4.24 0.33 2.72 1.02 0.28 -0.95 119.74 128.59 3fzs s LYS 457 Ca -0.04 0.69 0.08 0.00 0.02 0.00 0.00 55.97 56.72 3fzs s LYS 457 Cb -0.18 -3.30 -0.07 0.00 -0.52 0.00 0.00 37.83 33.76 3fzs s LYS 457 CO -0.05 0.49 -0.06 0.95 -0.92 0.00 0.00 175.35 175.76 3fzs s THR 458 N -0.57 1.94 -0.05 2.17 -4.23 -0.93 -1.82 115.64 112.15 3fzs s THR 458 Ca 0.29 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 3fzs s THR 458 Cb -0.18 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.02 3fzs s THR 458 CO 0.17 -0.18 -0.08 0.00 -0.54 0.00 0.00 174.62 173.98 3fzs n LYS 460 N 3.90 2.17 -0.16 0.00 2.85 0.18 -4.88 118.16 122.22 3fzs n LYS 460 Ca -0.24 0.77 -0.03 0.00 -1.05 0.00 0.00 58.31 57.76 3fzs n LYS 460 Cb 0.51 -2.43 0.19 0.00 -0.65 0.00 0.00 35.03 32.65 3fzs n LYS 460 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3fzs h LYS 461 N 3.91 0.88 -0.91 -1.58 3.64 -2.00 -3.03 116.57 117.49 3fzs h LYS 461 Ca -0.46 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 58.73 3fzs h LYS 461 Cb 1.27 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3fzs h LYS 461 CO 0.73 0.75 0.04 -0.40 -2.27 0.00 0.00 179.45 178.30 3fzs n ASP 462 N -4.30 2.54 -4.83 4.20 5.75 -1.26 -4.91 116.55 113.75 3fzs n ASP 462 Ca 0.05 -2.31 -0.30 0.00 -0.01 0.00 0.00 54.79 52.22 3fzs n ASP 462 Cb 0.20 -0.56 0.06 0.00 -1.03 0.00 0.00 41.12 39.79 3fzs n ASP 462 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fzs s THR 464 N -3.15 3.64 0.27 0.00 -4.23 -1.26 -4.83 115.64 106.08 3fzs s THR 464 Ca 0.59 0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 61.61 3fzs s THR 464 Cb -0.13 -3.14 0.27 0.00 1.34 0.00 0.00 72.50 70.83 3fzs s THR 464 CO 0.54 -0.70 1.91 -0.07 -0.54 0.00 0.00 174.62 175.77 3fzs h LEU 465 N -0.95 1.03 -0.69 4.79 3.38 -1.99 -0.61 115.31 120.27 3fzs h LEU 465 Ca -0.44 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3fzs h LEU 465 Cb 1.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3fzs h LEU 465 CO 0.54 0.69 0.23 -0.78 0.09 0.00 0.00 178.44 179.21 3fzs h ASP 466 N 1.19 0.99 -0.27 -0.43 3.58 -1.99 -1.03 116.42 118.46 3fzs h ASP 466 Ca 0.39 -0.20 -0.15 0.00 0.42 0.00 0.00 57.03 57.49 3fzs h ASP 466 Cb 0.05 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 3fzs h ASP 466 CO -0.13 0.93 -0.38 0.78 -2.88 0.00 0.00 179.24 177.56 3fzs h ASN 467 N 1.00 0.86 -0.58 2.28 2.35 -1.76 -0.95 115.58 118.79 3fzs h ASN 467 Ca 0.22 -0.38 0.04 0.00 -0.55 0.00 0.00 56.30 55.63 3fzs h ASN 467 Cb 0.28 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3fzs h ASN 467 CO -0.01 1.14 0.33 0.50 -1.65 0.00 0.00 177.43 177.74 3fzs h LYS 468 N 0.67 0.63 -0.55 0.81 3.64 -0.94 0.13 116.57 120.95 3fzs h LYS 468 Ca 0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3fzs h LYS 468 Cb 0.94 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3fzs h LYS 468 CO 0.09 0.41 0.31 1.49 -2.27 0.00 0.00 179.45 179.48 3fzs h GLU 469 N 0.65 0.77 -0.23 1.90 4.81 -0.93 0.11 114.58 121.65 3fzs h GLU 469 Ca 0.24 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3fzs h GLU 469 Cb 0.08 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3fzs h GLU 469 CO -0.13 0.59 0.15 -0.22 -0.73 0.00 0.00 179.01 178.67 3fzs h LYS 470 N 0.75 0.31 -0.33 1.92 1.63 -0.86 -0.85 116.57 119.13 3fzs h LYS 470 Ca 0.20 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.05 3fzs h LYS 470 Cb 0.04 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 3fzs h LYS 470 CO -0.03 0.21 -0.14 0.35 -3.45 0.00 0.00 179.45 176.39 3fzs h PHE 471 N 0.31 -0.34 -0.07 1.91 3.57 -0.29 -2.02 116.94 120.01 3fzs h PHE 471 Ca 0.08 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3fzs h PHE 471 Cb -0.03 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3fzs h PHE 471 CO -0.06 -0.21 -0.09 0.52 -2.23 0.00 0.00 178.31 176.24 3fzs h MET 472 N -0.08 0.10 -0.01 1.11 2.86 -0.69 -3.04 114.93 115.17 3fzs h MET 472 Ca 0.17 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3fzs h MET 472 Cb 0.34 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 3fzs h MET 472 CO -0.39 0.20 -0.10 0.66 1.06 0.00 0.00 176.91 178.34 3fzs h SER 473 N 0.10 0.02 -0.73 1.22 4.64 -0.38 -0.74 113.55 117.67 3fzs h SER 473 Ca 0.02 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3fzs h SER 473 Cb 0.22 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 3fzs h SER 473 CO 0.01 0.13 0.47 -0.08 -0.87 0.00 0.00 176.83 176.49 3fzs h GLU 474 N 0.02 0.91 -0.25 4.77 4.81 -1.59 0.14 114.58 123.39 3fzs h GLU 474 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3fzs h GLU 474 Cb 0.20 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3fzs h GLU 474 CO 0.01 0.60 0.02 0.00 -0.73 0.00 0.00 179.01 178.92 3fzs h ALA 475 N 1.29 0.33 -0.40 2.92 0.00 -1.34 0.10 119.26 122.18 3fzs h ALA 475 Ca 0.28 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fzs h ALA 475 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3fzs h ALA 475 CO -0.09 0.04 0.21 0.28 0.00 0.00 0.00 179.25 179.69 3fzs h VAL 476 N 0.22 1.00 0.39 0.00 2.07 -1.06 -2.09 116.25 116.78 3fzs h VAL 476 Ca 0.07 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3fzs h VAL 476 Cb 0.37 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3fzs h VAL 476 CO 0.01 0.08 -0.19 0.40 0.02 0.00 0.00 177.57 177.89 3fzs h ILE 477 N 0.43 0.57 0.00 4.57 2.04 -0.71 -3.33 117.51 121.09 3fzs h ILE 477 Ca 0.16 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3fzs h ILE 477 Cb 0.05 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3fzs h ILE 477 CO -0.10 0.08 -0.09 0.24 0.00 0.00 0.00 178.15 178.28 3fzs h MET 478 N -0.80 0.00 -0.39 2.37 2.86 -0.69 -0.87 114.93 117.40 3fzs h MET 478 Ca -0.05 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.70 3fzs h MET 478 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3fzs h MET 478 CO 0.09 0.09 0.33 -0.22 1.06 0.00 0.00 176.91 178.26 3fzs h LYS 479 N 0.00 0.00 -0.00 1.72 3.64 -1.49 -1.90 116.57 118.55 3fzs h LYS 479 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fzs h LYS 479 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3fzs h LYS 479 CO 0.01 0.00 -0.30 0.09 -2.27 0.00 0.00 179.45 176.98 3fzs n ASN 480 N -4.09 0.44 -4.65 4.20 3.02 -0.33 -4.83 115.26 109.01 3fzs n ASN 480 Ca 0.06 -0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 3fzs n ASN 480 Cb 0.51 0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 3fzs n ASN 480 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fzs s LEU 481 N -2.87 4.12 -0.04 3.41 1.43 -0.71 -4.92 118.68 119.09 3fzs s LEU 481 Ca 0.16 0.51 0.17 0.00 -1.03 0.00 0.00 54.13 53.93 3fzs s LEU 481 Cb 0.18 -2.56 0.31 0.00 0.03 0.00 0.00 46.19 44.16 3fzs s LEU 481 CO 0.61 -0.14 1.13 -0.67 0.23 0.00 0.00 176.35 177.51 3fzs n ASP 482 N 4.82 0.94 -4.75 2.29 2.03 -1.26 -4.79 116.55 115.84 3fzs n ASP 482 Ca -0.07 -2.35 -0.41 0.00 0.52 0.00 0.00 54.79 52.48 3fzs n ASP 482 Cb 0.51 -0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 40.55 3fzs n ASP 482 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3fzs s HIS 483 N -0.67 3.59 0.65 -0.67 2.46 -1.26 -4.93 115.29 114.47 3fzs s HIS 483 Ca 0.26 1.66 0.45 0.00 0.47 0.00 0.00 55.06 57.90 3fzs s HIS 483 Cb 0.28 -3.28 2.42 0.00 -0.13 0.00 0.00 32.58 31.87 3fzs s HIS 483 CO -0.10 -0.57 2.37 -1.00 -2.47 0.00 0.00 174.74 172.97 3fzs h PRO 484 N 4.27 0.00 0.00 2.88 0.13 -1.99 -2.35 132.00 134.94 3fzs h PRO 484 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3fzs h PRO 484 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3fzs h PRO 484 CO 0.69 0.00 -0.51 0.72 -0.23 0.00 0.00 178.00 178.67 3fzs n HIS 485 N -3.07 0.00 -4.77 1.56 8.25 -1.26 -4.80 115.22 111.13 3fzs n HIS 485 Ca -0.03 -1.42 -0.27 0.00 -0.26 0.00 0.00 57.72 55.74 3fzs n HIS 485 Cb 0.07 -0.24 -0.15 0.00 1.12 0.00 0.00 29.99 30.80 3fzs n HIS 485 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fzs s ILE 486 N -3.05 1.74 1.01 1.59 1.01 -0.89 -0.48 121.20 122.12 3fzs s ILE 486 Ca 0.37 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 3fzs s ILE 486 Cb 0.37 -1.49 0.15 0.00 0.01 0.00 0.00 42.46 41.49 3fzs s ILE 486 CO -0.07 0.29 0.81 1.33 0.00 0.00 0.00 174.94 177.30 3fzs n VAL 487 N 2.00 0.00 -4.88 2.92 0.24 -0.42 -4.70 118.33 113.48 3fzs n VAL 487 Ca -0.17 -0.18 -0.27 0.00 -2.04 0.00 0.00 64.34 61.68 3fzs n VAL 487 Cb 0.53 -0.86 -0.16 0.00 -1.47 0.00 0.00 33.84 31.87 3fzs n VAL 487 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3fzs s LYS 488 N -4.21 2.07 -0.08 7.34 2.20 -1.26 -4.90 119.74 120.90 3fzs s LYS 488 Ca 0.64 -0.64 -0.28 0.00 -0.36 0.00 0.00 55.97 55.33 3fzs s LYS 488 Cb -0.22 -1.71 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 3fzs s LYS 488 CO 0.63 0.19 0.93 -1.17 -0.36 0.00 0.00 175.35 175.57 3fzs s LEU 489 N 0.24 4.28 -0.11 5.43 2.96 -1.26 -0.75 118.68 129.47 3fzs s LEU 489 Ca -0.10 1.47 -0.21 0.00 -0.22 0.00 0.00 54.13 55.08 3fzs s LEU 489 Cb -0.14 -3.45 -0.27 0.00 0.50 0.00 0.00 46.19 42.83 3fzs s LEU 489 CO 0.04 -0.34 0.63 0.40 -1.32 0.00 0.00 176.35 175.75 3fzs h ILE 490 N 4.99 1.28 0.00 6.68 1.08 -1.02 -3.46 117.51 127.05 3fzs h ILE 490 Ca -0.35 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.73 3fzs h ILE 490 Cb 1.17 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 37.81 3fzs h ILE 490 CO 0.81 0.63 0.00 0.61 -0.69 0.00 0.00 178.15 179.51 3fzs n GLY 491 N 1.65 -0.90 3.05 5.37 0.00 -0.86 -4.99 105.19 108.51 3fzs n GLY 491 Ca -0.20 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 3fzs n GLY 491 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fzs s ILE 492 N -2.00 0.96 -0.38 -0.61 1.01 -1.26 -0.32 121.20 118.59 3fzs s ILE 492 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 3fzs s ILE 492 Cb 0.00 -0.82 0.06 0.00 0.01 0.00 0.00 42.46 41.71 3fzs s ILE 492 CO 0.00 0.28 0.18 -0.63 0.00 0.00 0.00 174.94 174.78 3fzs s ILE 493 N -0.05 3.96 0.16 2.92 1.01 0.02 -4.65 121.20 124.57 3fzs s ILE 493 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 3fzs s ILE 493 Cb -0.07 -3.36 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 3fzs s ILE 493 CO 0.00 -0.37 1.37 -0.33 0.00 0.00 0.00 174.94 175.62 3fzs h GLU 494 N 8.29 0.33 -6.79 2.79 5.08 -1.91 -1.06 114.58 121.31 3fzs h GLU 494 Ca -0.22 -0.33 -0.55 0.00 -1.00 0.00 0.00 59.36 57.26 3fzs h GLU 494 Cb 1.08 0.09 0.10 0.00 0.50 0.00 0.00 28.75 30.52 3fzs h GLU 494 CO 0.68 1.00 0.68 -1.91 -1.00 0.00 0.00 179.01 178.46 3fzs n GLU 495 N -3.75 2.40 -1.73 2.33 2.13 -1.26 -4.30 120.64 116.46 3fzs n GLU 495 Ca -0.05 0.85 -0.42 0.00 0.66 0.00 0.00 57.16 58.20 3fzs n GLU 495 Cb 0.78 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.94 3fzs n GLU 495 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3fzs s GLU 496 N -1.46 4.12 -0.14 5.31 0.41 -1.26 -2.61 118.70 123.07 3fzs s GLU 496 Ca 0.58 2.61 -0.29 0.00 -0.41 0.00 0.00 54.97 57.46 3fzs s GLU 496 Cb -0.54 -3.06 -0.01 0.00 -1.78 0.00 0.00 34.13 28.74 3fzs s GLU 496 CO 0.58 -0.73 1.12 -1.25 -0.49 0.00 0.00 175.26 174.49 3fzs s PRO 497 N 0.77 4.32 0.13 0.39 0.04 -1.26 -5.11 135.00 134.28 3fzs s PRO 497 Ca 0.72 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 3fzs s PRO 497 Cb -0.49 -3.62 -0.10 0.00 0.04 0.00 0.00 34.50 30.32 3fzs s PRO 497 CO 0.36 -0.53 1.79 0.99 0.04 0.00 0.00 177.00 179.65 3fzs s THR 498 N 2.74 2.54 -0.05 1.26 2.01 -1.07 -4.92 115.64 118.15 3fzs s THR 498 Ca 0.50 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.67 3fzs s THR 498 Cb -0.20 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 3fzs s THR 498 CO 0.15 0.00 -0.23 0.26 -0.69 0.00 0.00 174.62 174.11 3fzs s TRP 499 N 2.50 2.22 -0.22 4.92 0.51 -0.40 -4.25 118.94 124.21 3fzs s TRP 499 Ca 0.79 -0.61 -0.07 0.00 -2.12 0.00 0.00 56.10 54.09 3fzs s TRP 499 Cb -0.46 -1.45 -0.03 0.00 -0.81 0.00 0.00 33.47 30.72 3fzs s TRP 499 CO 0.35 -0.17 0.05 0.42 -0.51 0.00 0.00 176.95 177.09 3fzs s ILE 500 N -0.20 4.28 -0.29 2.03 1.01 -0.76 -0.80 121.20 126.48 3fzs s ILE 500 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 3fzs s ILE 500 Cb -0.12 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.40 3fzs s ILE 500 CO 0.02 0.39 0.04 -0.63 0.00 0.00 0.00 174.94 174.77 3fzs s ILE 501 N 1.18 3.59 0.10 2.92 1.01 0.56 -0.56 121.20 130.00 3fzs s ILE 501 Ca 0.04 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.83 3fzs s ILE 501 Cb -0.14 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 3fzs s ILE 501 CO 0.03 0.05 0.01 -0.04 0.00 0.00 0.00 174.94 174.98 3fzs s MET 502 N 1.42 2.58 0.07 2.79 -1.94 0.76 -0.37 119.30 124.61 3fzs s MET 502 Ca 0.01 -0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 52.84 3fzs s MET 502 Cb -0.18 -2.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.06 3fzs s MET 502 CO 0.01 0.53 1.04 -2.00 -0.01 0.00 0.00 175.02 174.59 3fzs s GLU 503 N -2.39 4.58 0.43 2.03 2.12 0.07 -0.92 118.70 124.62 3fzs s GLU 503 Ca 0.26 1.54 0.06 0.00 0.36 0.00 0.00 54.97 57.20 3fzs s GLU 503 Cb -0.12 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 3fzs s GLU 503 CO 0.19 0.00 0.14 -0.51 -0.54 0.00 0.00 175.26 174.54 3fzs s LEU 504 N 0.53 2.95 0.12 2.70 1.43 -0.37 -4.64 118.68 121.39 3fzs s LEU 504 Ca 0.51 -1.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3fzs s LEU 504 Cb -0.25 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3fzs s LEU 504 CO 0.30 -0.60 -0.03 -0.31 0.23 0.00 0.00 176.35 175.94 3fzs s TYR 505 N -2.67 0.94 0.58 0.29 2.02 -1.26 -4.40 117.35 112.85 3fzs s TYR 505 Ca 0.36 -0.98 0.29 0.00 -0.37 0.00 0.00 57.07 56.36 3fzs s TYR 505 Cb 0.05 -0.55 1.49 0.00 -0.40 0.00 0.00 41.96 42.54 3fzs s TYR 505 CO 0.19 -0.22 1.91 -1.35 -1.57 0.00 0.00 175.55 174.52 3fzs h PRO 506 N 2.90 0.00 0.00 -1.71 0.11 -1.87 -3.27 132.00 128.16 3fzs h PRO 506 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3fzs h PRO 506 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fzs h PRO 506 CO 0.64 0.00 -1.28 0.66 -0.21 0.00 0.00 178.00 177.81 3fzs n TYR 507 N -3.77 0.57 -3.54 0.65 4.02 -1.26 -5.06 117.16 108.76 3fzs n TYR 507 Ca 0.08 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 3fzs n TYR 507 Cb 0.66 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 3fzs n TYR 507 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fzs n GLY 508 N 1.24 -1.80 3.76 2.72 0.00 -1.24 -4.61 105.19 105.26 3fzs n GLY 508 Ca -0.01 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 3fzs n GLY 508 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fzs s GLU 509 N 0.00 3.45 0.26 1.61 2.02 -1.26 -1.53 118.70 123.25 3fzs s GLU 509 Ca 0.00 2.33 -0.03 0.00 0.02 0.00 0.00 54.97 57.28 3fzs s GLU 509 Cb 0.00 -2.48 0.37 0.00 0.10 0.00 0.00 34.13 32.13 3fzs s GLU 509 CO 0.00 -0.98 1.90 1.25 0.02 0.00 0.00 175.26 177.45 3fzs h LEU 510 N 1.94 1.07 -0.16 1.80 5.85 -0.80 -2.03 115.31 122.97 3fzs h LEU 510 Ca -0.51 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.25 3fzs h LEU 510 Cb 1.28 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 3fzs h LEU 510 CO 0.59 0.71 -0.12 1.23 -0.34 0.00 0.00 178.44 180.51 3fzs h GLY 511 N 1.23 -0.01 1.78 3.75 0.00 -1.82 0.75 103.07 108.76 3fzs h GLY 511 Ca 0.41 0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.77 3fzs h GLY 511 CO -0.15 -0.13 -0.49 0.45 0.00 0.00 0.00 176.54 176.22 3fzs h HIS 512 N -0.13 0.29 -0.51 5.60 3.86 -1.90 -2.62 115.15 119.72 3fzs h HIS 512 Ca 0.10 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3fzs h HIS 512 Cb 0.28 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3fzs h HIS 512 CO -0.26 0.68 0.15 -0.92 0.86 0.00 0.00 177.93 178.45 3fzs h TYR 513 N 0.19 0.84 -0.63 2.45 3.20 -0.61 -2.35 116.97 120.05 3fzs h TYR 513 Ca 0.01 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 3fzs h TYR 513 Cb 0.93 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3fzs h TYR 513 CO 0.02 0.73 0.28 -0.07 -1.64 0.00 0.00 178.16 177.47 3fzs h LEU 514 N 0.70 0.85 -0.67 2.82 3.38 -0.77 -1.99 115.31 119.63 3fzs h LEU 514 Ca 0.16 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3fzs h LEU 514 Cb 0.29 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3fzs h LEU 514 CO -0.00 0.76 0.39 -0.33 0.09 0.00 0.00 178.44 179.35 3fzs h GLU 515 N 0.87 0.71 0.00 1.13 5.08 -1.33 -1.47 114.58 119.57 3fzs h GLU 515 Ca 0.21 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 3fzs h GLU 515 Cb 0.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3fzs h GLU 515 CO -0.02 0.47 -0.51 0.00 -1.00 0.00 0.00 179.01 177.94 3fzs h ARG 516 N 0.73 0.00 -0.25 2.33 3.08 -1.27 -3.32 114.38 115.67 3fzs h ARG 516 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3fzs h ARG 516 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3fzs h ARG 516 CO -0.16 0.51 0.00 0.09 -1.07 0.00 0.00 179.97 179.35 3fzs n ASN 517 N -3.29 3.27 -0.02 7.04 4.13 -0.76 -4.72 115.26 120.92 3fzs n ASN 517 Ca 0.01 -2.58 0.10 0.00 1.68 0.00 0.00 54.58 53.80 3fzs n ASN 517 Cb 0.70 -0.38 0.51 0.00 -1.54 0.00 0.00 39.78 39.07 3fzs n ASN 517 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 3fzs h LYS 518 N 1.61 0.37 0.00 3.52 2.10 -1.38 -1.17 116.57 121.62 3fzs h LYS 518 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3fzs h LYS 518 Cb 1.08 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 3fzs h LYS 518 CO 0.11 0.25 0.00 -0.91 -2.00 0.00 0.00 179.45 176.89 3fzs h ASN 519 N 0.38 0.00 0.00 7.07 2.35 -1.88 -3.33 115.58 120.17 3fzs h ASN 519 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3fzs h ASN 519 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3fzs h ASN 519 CO -0.05 0.00 -1.08 -1.54 -1.65 0.00 0.00 177.43 173.11 3fzs n SER 520 N -2.46 3.88 -4.74 5.81 3.41 -0.53 -5.03 113.62 113.96 3fzs n SER 520 Ca 0.03 -0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 3fzs n SER 520 Cb 0.32 1.15 -0.03 0.00 -0.26 0.00 0.00 64.21 65.39 3fzs n SER 520 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fzs s LEU 521 N -3.16 4.42 0.25 1.04 1.43 -0.68 -5.03 118.68 116.95 3fzs s LEU 521 Ca -0.01 2.36 -0.01 0.00 -1.03 0.00 0.00 54.13 55.44 3fzs s LEU 521 Cb 0.02 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 3fzs s LEU 521 CO 0.14 -0.50 0.45 -0.54 0.23 0.00 0.00 176.35 176.13 3fzs s LYS 522 N -0.09 3.53 0.30 1.70 -0.14 -1.26 -5.00 119.74 118.78 3fzs s LYS 522 Ca 0.56 -0.28 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 3fzs s LYS 522 Cb -0.36 -2.77 0.52 0.00 -1.68 0.00 0.00 37.83 33.54 3fzs s LYS 522 CO 0.38 0.32 1.90 0.28 -0.76 0.00 0.00 175.35 177.47 3fzs h VAL 523 N 1.35 1.06 -0.98 3.17 2.07 -1.96 -1.71 116.25 119.25 3fzs h VAL 523 Ca -0.48 -0.36 0.15 0.00 0.82 0.00 0.00 66.70 66.83 3fzs h VAL 523 Cb 1.20 -0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 3fzs h VAL 523 CO 0.66 0.19 0.60 0.25 0.02 0.00 0.00 177.57 179.29 3fzs h LEU 524 N 1.04 0.83 -0.62 2.57 5.85 -1.95 -0.46 115.31 122.57 3fzs h LEU 524 Ca 0.40 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 59.06 3fzs h LEU 524 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3fzs h LEU 524 CO -0.15 0.38 -0.34 0.74 -0.34 0.00 0.00 178.44 178.72 3fzs h THR 525 N 0.87 1.28 -0.63 1.05 2.02 -1.72 0.35 112.91 116.14 3fzs h THR 525 Ca 0.52 -1.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.12 3fzs h THR 525 Cb 0.65 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3fzs h THR 525 CO -0.32 0.48 0.06 -0.07 0.37 0.00 0.00 175.52 176.05 3fzs h LEU 526 N 0.59 1.03 -0.50 2.58 3.38 -1.02 -0.36 115.31 121.02 3fzs h LEU 526 Ca 0.06 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 3fzs h LEU 526 Cb 0.87 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3fzs h LEU 526 CO 0.08 1.05 0.01 0.58 0.09 0.00 0.00 178.44 180.24 3fzs h VAL 527 N 0.98 1.26 -0.18 1.22 2.07 -0.94 -2.18 116.25 118.47 3fzs h VAL 527 Ca 0.19 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.69 3fzs h VAL 527 Cb 0.49 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3fzs h VAL 527 CO 0.02 0.38 -0.18 0.25 0.02 0.00 0.00 177.57 178.06 3fzs h LEU 528 N 0.74 -0.56 -0.67 2.57 5.85 -0.54 0.53 115.31 123.21 3fzs h LEU 528 Ca 0.14 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.99 3fzs h LEU 528 Cb 0.51 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 3fzs h LEU 528 CO 0.02 -0.22 0.42 1.88 -0.34 0.00 0.00 178.44 180.21 3fzs h TYR 529 N -0.20 0.80 -0.35 1.25 0.05 -0.98 0.07 116.97 117.62 3fzs h TYR 529 Ca 0.12 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.96 3fzs h TYR 529 Cb 0.37 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 3fzs h TYR 529 CO -0.31 0.46 0.13 0.77 -1.05 0.00 0.00 178.16 178.16 3fzs h SER 530 N 0.84 0.15 -0.46 3.88 0.02 -0.93 -1.45 113.55 115.60 3fzs h SER 530 Ca 0.27 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3fzs h SER 530 Cb -0.00 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3fzs h SER 530 CO -0.10 0.12 0.19 0.25 -1.14 0.00 0.00 176.83 176.16 3fzs h LEU 531 N 0.28 0.63 -0.44 5.07 5.85 -0.30 -0.76 115.31 125.65 3fzs h LEU 531 Ca 0.16 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3fzs h LEU 531 Cb 0.12 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3fzs h LEU 531 CO -0.15 0.62 0.25 1.56 -0.34 0.00 0.00 178.44 180.38 3fzs h GLN 532 N 0.61 0.49 -0.58 1.25 4.20 -0.75 -0.72 115.11 119.61 3fzs h GLN 532 Ca 0.16 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 3fzs h GLN 532 Cb 0.18 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3fzs h GLN 532 CO -0.01 0.33 0.09 0.82 -0.67 0.00 0.00 178.83 179.38 3fzs h ILE 533 N 0.51 1.25 -0.91 2.54 1.08 -1.10 -2.15 117.51 118.73 3fzs h ILE 533 Ca 0.18 -0.96 0.03 0.00 -0.39 0.00 0.00 64.86 63.71 3fzs h ILE 533 Cb 0.02 0.71 -0.05 0.00 -3.07 0.00 0.00 36.82 34.44 3fzs h ILE 533 CO -0.09 0.35 0.59 0.00 -0.69 0.00 0.00 178.15 178.32 3fzs h LYS 535 N 1.17 0.79 -0.38 0.00 1.57 -0.75 0.11 116.57 119.07 3fzs h LYS 535 Ca 0.36 -0.15 0.07 0.00 -1.87 0.00 0.00 60.65 59.06 3fzs h LYS 535 Cb -0.03 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 3fzs h LYS 535 CO -0.11 0.70 0.02 0.00 -0.57 0.00 0.00 179.45 179.50 3fzs h ALA 536 N 1.06 0.37 -0.16 3.86 0.00 -1.02 -1.74 119.26 121.63 3fzs h ALA 536 Ca 0.18 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3fzs h ALA 536 Cb 0.20 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3fzs h ALA 536 CO -0.01 -0.37 -0.34 0.52 0.00 0.00 0.00 179.25 179.04 3fzs h MET 537 N 0.13 0.33 -0.31 0.00 2.86 -0.75 -1.76 114.93 115.43 3fzs h MET 537 Ca 0.19 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3fzs h MET 537 Cb 0.25 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3fzs h MET 537 CO -0.29 0.63 -0.03 0.00 1.06 0.00 0.00 176.91 178.29 3fzs h ALA 538 N 1.36 1.38 -0.08 6.32 0.00 -0.40 0.21 119.26 128.04 3fzs h ALA 538 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3fzs h ALA 538 Cb 0.74 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fzs h ALA 538 CO 0.06 0.43 0.00 -0.92 0.00 0.00 0.00 179.25 178.82 3fzs h TYR 539 N 0.46 0.16 -0.97 0.00 3.20 -0.70 -2.09 116.97 117.03 3fzs h TYR 539 Ca 0.10 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3fzs h TYR 539 Cb 0.35 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 3fzs h TYR 539 CO 0.01 0.39 0.63 -0.07 -1.64 0.00 0.00 178.16 177.48 3fzs h LEU 540 N -0.12 1.13 -1.50 2.82 3.38 -0.91 -1.62 115.31 118.49 3fzs h LEU 540 Ca 0.02 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3fzs h LEU 540 Cb 0.33 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3fzs h LEU 540 CO 0.00 0.83 0.37 -0.08 0.09 0.00 0.00 178.44 179.66 3fzs h GLU 541 N 1.33 0.64 0.00 1.13 4.81 -0.54 0.26 114.58 122.21 3fzs h GLU 541 Ca 0.35 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.52 3fzs h GLU 541 Cb -0.13 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.11 3fzs h GLU 541 CO -0.07 0.42 -0.14 0.66 -0.73 0.00 0.00 179.01 179.15 3fzs h SER 542 N 0.66 0.00 -0.28 1.04 4.64 -0.57 -1.62 113.55 117.43 3fzs h SER 542 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3fzs h SER 542 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3fzs h SER 542 CO -0.06 0.14 0.00 2.30 -0.87 0.00 0.00 176.83 178.34 3fzs n ILE 543 N -3.54 1.98 -3.13 0.95 -5.35 -0.97 -4.97 119.36 104.33 3fzs n ILE 543 Ca -0.01 -1.67 -0.23 0.00 -0.27 0.00 0.00 62.75 60.56 3fzs n ILE 543 Cb 0.28 -0.08 0.03 0.00 -1.74 0.00 0.00 39.64 38.13 3fzs n ILE 543 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fzs n ASN 544 N -0.28 -5.77 -4.81 7.28 3.02 -0.61 -4.97 115.26 109.12 3fzs n ASN 544 Ca 0.19 -0.33 -0.36 0.00 -0.03 0.00 0.00 54.58 54.05 3fzs n ASN 544 Cb 0.78 -4.67 -0.07 0.00 -0.61 0.00 0.00 39.78 35.21 3fzs n ASN 544 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fzs s VAL 546 N -0.68 3.66 -0.13 0.00 -7.23 -1.26 -4.15 120.40 110.61 3fzs s VAL 546 Ca 0.13 -0.47 -0.22 0.00 -1.81 0.00 0.00 61.98 59.61 3fzs s VAL 546 Cb -0.12 -2.54 -0.20 0.00 0.56 0.00 0.00 36.38 34.09 3fzs s VAL 546 CO 0.02 0.55 0.58 -0.74 -0.31 0.00 0.00 175.10 175.21 3fzs h HIS 547 N 5.95 0.00 0.00 2.82 2.76 -1.98 -3.48 115.15 121.22 3fzs h HIS 547 Ca -0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 3fzs h HIS 547 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3fzs h HIS 547 CO 0.54 0.76 0.00 0.54 -1.30 0.00 0.00 177.93 178.47 3fzs n ARG 548 N -4.65 0.00 -2.71 5.26 1.74 -1.26 -4.83 116.66 110.21 3fzs n ARG 548 Ca -0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.96 3fzs n ARG 548 Cb 0.36 -1.77 0.09 0.00 -1.02 0.00 0.00 32.46 30.12 3fzs n ARG 548 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fzs n ASP 549 N 0.00 -0.33 -4.65 0.55 2.03 -1.26 -4.95 116.55 107.94 3fzs n ASP 549 Ca 0.00 -2.34 -0.43 0.00 0.52 0.00 0.00 54.79 52.54 3fzs n ASP 549 Cb 0.00 0.27 -0.02 0.00 -0.72 0.00 0.00 41.12 40.65 3fzs n ASP 549 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3fzs s ILE 550 N -1.38 4.28 0.02 5.18 1.01 -1.26 -4.80 121.20 124.26 3fzs s ILE 550 Ca 0.20 1.52 -0.28 0.00 0.00 0.00 0.00 60.65 62.10 3fzs s ILE 550 Cb 0.41 -4.08 0.10 0.00 0.01 0.00 0.00 42.46 38.90 3fzs s ILE 550 CO -0.07 -0.24 0.82 0.00 0.00 0.00 0.00 174.94 175.46 3fzs s ALA 551 N 3.72 -1.78 0.51 9.38 0.00 -1.26 -4.49 121.76 127.85 3fzs s ALA 551 Ca 0.54 0.93 0.18 0.00 0.00 0.00 0.00 51.96 53.61 3fzs s ALA 551 Cb -0.20 0.46 1.29 0.00 0.00 0.00 0.00 23.12 24.68 3fzs s ALA 551 CO 0.16 -0.68 2.14 0.28 0.00 0.00 0.00 175.76 177.66 3fzs h VAL 552 N 2.05 0.96 0.00 0.00 2.07 -1.92 -0.69 116.25 118.72 3fzs h VAL 552 Ca -0.25 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3fzs h VAL 552 Cb 1.25 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3fzs h VAL 552 CO 0.33 0.03 0.00 0.08 0.02 0.00 0.00 177.57 178.03 3fzs h ARG 553 N 0.00 0.00 -0.57 1.57 0.11 -1.96 -1.99 114.38 111.54 3fzs h ARG 553 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3fzs h ARG 553 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 3fzs h ARG 553 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3fzs n ASN 554 N -2.96 5.41 -4.13 0.08 5.03 -0.27 -4.89 115.26 113.53 3fzs n ASN 554 Ca -0.01 -2.83 -0.28 0.00 0.87 0.00 0.00 54.58 52.33 3fzs n ASN 554 Cb 0.16 -0.65 -0.17 0.00 -1.02 0.00 0.00 39.78 38.10 3fzs n ASN 554 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3fzs s ILE 555 N -2.57 1.57 0.06 2.41 1.01 -0.75 -0.24 121.20 122.69 3fzs s ILE 555 Ca 0.53 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3fzs s ILE 555 Cb 0.39 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3fzs s ILE 555 CO 0.17 0.45 0.15 -0.76 0.00 0.00 0.00 174.94 174.95 3fzs s LEU 556 N 0.34 4.11 -0.46 2.97 1.43 -0.01 -0.33 118.68 126.73 3fzs s LEU 556 Ca -0.12 0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 3fzs s LEU 556 Cb -0.15 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.40 3fzs s LEU 556 CO 0.05 0.18 0.49 -0.69 0.23 0.00 0.00 176.35 176.61 3fzs s VAL 557 N -1.43 5.05 0.06 -1.59 1.01 -0.58 -0.91 120.40 122.00 3fzs s VAL 557 Ca 0.31 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 3fzs s VAL 557 Cb -0.13 -4.14 -0.31 0.00 0.00 0.00 0.00 36.38 31.81 3fzs s VAL 557 CO 0.24 -0.57 1.09 0.00 0.00 0.00 0.00 175.10 175.86 3fzs h ALA 558 N 8.81 -0.01 -2.91 5.51 0.00 -1.27 -3.36 119.26 126.04 3fzs h ALA 558 Ca -0.27 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.79 3fzs h ALA 558 Cb 1.11 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3fzs h ALA 558 CO 0.86 0.82 0.05 -1.54 0.00 0.00 0.00 179.25 179.44 3fzs s SER 559 N -7.36 -0.18 0.65 0.00 1.04 -0.92 -4.81 113.70 102.13 3fzs s SER 559 Ca -0.07 -0.74 0.34 0.00 0.48 0.00 0.00 55.95 55.96 3fzs s SER 559 Cb 0.06 0.65 1.83 0.00 0.10 0.00 0.00 66.02 68.66 3fzs s SER 559 CO 0.91 -1.22 2.06 -0.65 0.98 0.00 0.00 173.24 175.33 3fzs h PRO 560 N 2.14 0.00 -0.23 4.02 0.11 -2.03 -1.86 132.00 134.15 3fzs h PRO 560 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3fzs h PRO 560 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fzs h PRO 560 CO 0.30 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.48 3fzs n GLU 561 N -3.11 1.95 -3.66 1.05 4.71 -1.26 -4.96 120.64 115.36 3fzs n GLU 561 Ca -0.01 -1.85 -0.09 0.00 -0.01 0.00 0.00 57.16 55.20 3fzs n GLU 561 Cb 0.31 -1.35 -0.10 0.00 -1.01 0.00 0.00 31.44 29.29 3fzs n GLU 561 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3fzs s VAL 563 N 2.54 3.76 -0.04 0.00 -7.23 -1.26 -0.74 120.40 117.42 3fzs s VAL 563 Ca -0.02 -1.71 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 3fzs s VAL 563 Cb -0.12 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.85 3fzs s VAL 563 CO -0.12 -0.33 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.77 3fzs s LYS 564 N -3.62 0.57 0.02 4.82 1.02 -0.09 -4.46 119.74 118.01 3fzs s LYS 564 Ca 0.31 -0.01 -0.27 0.00 0.02 0.00 0.00 55.97 56.02 3fzs s LYS 564 Cb -0.07 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 3fzs s LYS 564 CO 0.21 -0.12 0.86 -1.17 -0.92 0.00 0.00 175.35 174.21 3fzs s LEU 565 N 1.04 4.41 0.00 3.17 2.96 0.37 -0.83 118.68 129.79 3fzs s LEU 565 Ca -0.09 1.53 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 3fzs s LEU 565 Cb -0.14 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.17 3fzs s LEU 565 CO -0.01 -0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 3fzs n GLY 566 N 2.67 4.41 2.61 7.98 0.00 0.66 -1.31 105.19 122.21 3fzs n GLY 566 Ca 0.01 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 3fzs n GLY 566 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fzs s ASP 567 N -0.80 2.34 0.00 1.61 -1.08 -1.26 -4.79 116.67 112.69 3fzs s ASP 567 Ca 0.00 -1.65 0.24 0.00 -0.52 0.00 0.00 52.55 50.62 3fzs s ASP 567 Cb 0.00 0.03 0.35 0.00 -1.46 0.00 0.00 42.92 41.84 3fzs s ASP 567 CO 0.00 -0.33 1.35 0.49 0.52 0.00 0.00 175.17 177.20 3fzs n PHE 568 N 4.49 0.08 -3.67 -5.34 3.72 -1.26 -5.16 117.46 110.32 3fzs n PHE 568 Ca 0.07 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3fzs n PHE 568 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3fzs n PHE 568 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fzs n GLY 569 N 1.35 -0.79 3.88 1.37 0.00 -1.26 -5.06 105.19 104.67 3fzs n GLY 569 Ca 0.16 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 3fzs n GLY 569 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fzs s LEU 587 N 0.00 4.31 -1.44 0.99 1.43 -1.26 -4.95 118.68 117.76 3fzs s LEU 587 Ca 0.00 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 53.73 3fzs s LEU 587 Cb 0.00 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 3fzs s LEU 587 CO 0.00 0.11 2.54 -0.81 0.23 0.00 0.00 176.35 178.42 3fzs n PRO 588 N 0.58 3.08 -0.30 1.29 -0.04 -1.26 -4.74 135.00 133.61 3fzs n PRO 588 Ca -0.06 -2.26 0.10 0.00 -0.04 0.00 0.00 63.50 61.25 3fzs n PRO 588 Cb 0.52 -2.96 0.27 0.00 -0.04 0.00 0.00 33.50 31.29 3fzs n PRO 588 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3fzs h ILE 589 N 3.52 0.58 0.00 0.52 1.08 -1.96 -0.17 117.51 121.09 3fzs h ILE 589 Ca 0.70 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 65.00 3fzs h ILE 589 Cb 0.43 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 3fzs h ILE 589 CO 1.81 0.09 0.00 0.29 -0.69 0.00 0.00 178.15 179.65 3fzs n LYS 590 N -4.98 0.12 -0.00 2.37 5.02 -1.26 -2.14 118.16 117.29 3fzs n LYS 590 Ca 0.20 0.16 0.07 0.00 -2.02 0.00 0.00 58.31 56.72 3fzs n LYS 590 Cb 0.55 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 3fzs n LYS 590 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3fzs n TRP 591 N -1.40 0.00 -2.95 2.13 8.01 -0.11 -4.82 117.44 118.29 3fzs n TRP 591 Ca 0.06 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.92 3fzs n TRP 591 Cb 0.18 -0.17 -0.07 0.00 -2.01 0.00 0.00 31.31 29.24 3fzs n TRP 591 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3fzs s MET 592 N -2.73 4.20 0.74 -0.99 -1.94 -0.91 -3.95 119.30 113.73 3fzs s MET 592 Ca 0.00 0.97 -0.13 0.00 -1.71 0.00 0.00 55.69 54.82 3fzs s MET 592 Cb 0.10 -2.43 0.04 0.00 2.01 0.00 0.00 34.83 34.56 3fzs s MET 592 CO 0.62 0.12 1.11 -1.54 -0.01 0.00 0.00 175.02 175.33 3fzs s SER 593 N -2.07 4.57 0.30 3.03 1.04 -1.26 -4.80 113.70 114.50 3fzs s SER 593 Ca 0.56 1.97 0.02 0.00 0.48 0.00 0.00 55.95 58.97 3fzs s SER 593 Cb -0.12 -2.54 0.57 0.00 0.10 0.00 0.00 66.02 64.03 3fzs s SER 593 CO 0.17 -1.99 1.87 -0.65 0.98 0.00 0.00 173.24 173.61 3fzs h PRO 594 N -0.68 0.95 0.00 4.02 0.11 -1.95 -0.52 132.00 133.94 3fzs h PRO 594 Ca -0.45 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3fzs h PRO 594 Cb 1.25 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3fzs h PRO 594 CO 0.51 0.63 -0.43 1.05 -0.21 0.00 0.00 178.00 179.55 3fzs h GLU 595 N 0.98 0.00 -0.09 1.05 9.09 -1.89 0.19 114.58 123.90 3fzs h GLU 595 Ca 0.45 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.69 3fzs h GLU 595 Cb 0.40 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.51 3fzs h GLU 595 CO -0.21 0.43 -0.61 0.77 0.05 0.00 0.00 179.01 179.44 3fzs h SER 596 N 0.00 0.70 -0.16 3.06 0.02 -1.29 -0.52 113.55 115.36 3fzs h SER 596 Ca -0.00 -0.66 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 3fzs h SER 596 Cb 0.80 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3fzs h SER 596 CO 0.06 1.25 0.04 0.40 -1.14 0.00 0.00 176.83 177.44 3fzs h ILE 597 N 0.20 1.19 0.00 3.27 2.04 -0.93 -1.79 117.51 121.50 3fzs h ILE 597 Ca -0.05 -0.59 -0.24 0.00 1.00 0.00 0.00 64.86 64.98 3fzs h ILE 597 Cb 1.26 1.29 0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3fzs h ILE 597 CO 0.13 0.18 -0.98 0.78 0.00 0.00 0.00 178.15 178.25 3fzs h ASN 598 N 0.07 0.66 0.00 1.72 2.35 -0.67 -3.39 115.58 116.31 3fzs h ASN 598 Ca 0.05 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3fzs h ASN 598 Cb 0.24 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3fzs h ASN 598 CO -0.00 1.33 0.00 0.49 -1.65 0.00 0.00 177.43 177.60 3fzs n PHE 599 N -3.78 0.00 -2.88 1.19 3.72 -0.23 -5.00 117.46 110.49 3fzs n PHE 599 Ca -0.08 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 3fzs n PHE 599 Cb 0.86 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.41 3fzs n PHE 599 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3fzs n ARG 600 N -0.04 -3.49 -2.85 -1.08 5.12 -0.67 -4.97 116.66 108.68 3fzs n ARG 600 Ca 0.00 0.78 -0.42 0.00 -1.93 0.00 0.00 57.85 56.28 3fzs n ARG 600 Cb 0.12 -5.52 -0.04 0.00 -1.16 0.00 0.00 32.46 25.86 3fzs n ARG 600 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3fzs s ARG 601 N -5.53 4.35 -0.19 5.56 3.52 -1.07 -4.94 118.95 120.66 3fzs s ARG 601 Ca 0.21 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 3fzs s ARG 601 Cb -0.10 -3.55 0.05 0.00 -1.56 0.00 0.00 34.95 29.78 3fzs s ARG 601 CO 0.26 -0.28 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.35 3fzs s PHE 602 N 1.96 2.03 0.39 5.12 0.08 -1.26 -3.10 117.98 123.20 3fzs s PHE 602 Ca 0.41 -1.35 0.04 0.00 0.12 0.00 0.00 56.93 56.14 3fzs s PHE 602 Cb -0.17 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 3fzs s PHE 602 CO 0.15 -0.68 0.11 0.95 -0.10 0.00 0.00 175.22 175.65 3fzs s THR 603 N 1.52 0.70 0.33 0.64 -4.23 -1.26 -4.99 115.64 108.37 3fzs s THR 603 Ca -0.01 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 3fzs s THR 603 Cb -0.16 -2.43 0.29 0.00 1.34 0.00 0.00 72.50 71.53 3fzs s THR 603 CO -0.08 0.00 1.94 0.74 -0.54 0.00 0.00 174.62 176.68 3fzs h THR 604 N 1.86 1.05 -0.61 3.99 2.02 -1.95 -0.79 112.91 118.47 3fzs h THR 604 Ca -0.36 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 3fzs h THR 604 Cb 1.27 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3fzs h THR 604 CO 0.59 0.16 0.22 0.00 0.37 0.00 0.00 175.52 176.86 3fzs h ALA 605 N 1.56 1.24 -0.11 6.16 0.00 -1.94 -0.69 119.26 125.49 3fzs h ALA 605 Ca 0.34 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3fzs h ALA 605 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fzs h ALA 605 CO -0.12 0.55 -0.39 0.66 0.00 0.00 0.00 179.25 179.95 3fzs h SER 606 N 0.88 0.24 -0.87 0.00 4.64 -1.70 -2.69 113.55 114.04 3fzs h SER 606 Ca 0.20 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3fzs h SER 606 Cb 0.21 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 3fzs h SER 606 CO -0.01 0.61 0.46 0.44 -0.87 0.00 0.00 176.83 177.45 3fzs h ASP 607 N 0.20 1.11 -0.55 4.97 3.32 0.08 -2.06 116.42 123.48 3fzs h ASP 607 Ca 0.02 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3fzs h ASP 607 Cb 0.78 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3fzs h ASP 607 CO 0.06 0.91 0.36 0.58 -1.72 0.00 0.00 179.24 179.43 3fzs h VAL 608 N 1.23 1.13 -0.05 -1.35 2.07 -0.88 0.32 116.25 118.72 3fzs h VAL 608 Ca 0.31 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3fzs h VAL 608 Cb 0.06 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3fzs h VAL 608 CO -0.04 0.13 -0.20 -0.25 0.02 0.00 0.00 177.57 177.23 3fzs h TRP 609 N 0.73 -0.53 -0.89 1.57 2.91 -1.23 -1.95 115.95 116.56 3fzs h TRP 609 Ca 0.21 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 3fzs h TRP 609 Cb -0.07 0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 3fzs h TRP 609 CO -0.04 -0.28 0.53 0.52 -1.03 0.00 0.00 178.44 178.13 3fzs h MET 610 N -0.30 1.22 -0.89 2.65 0.00 -0.79 -2.18 114.93 114.64 3fzs h MET 610 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 59.70 59.67 3fzs h MET 610 Cb 0.40 -0.25 -0.05 0.00 0.00 0.00 0.00 31.60 31.70 3fzs h MET 610 CO -0.22 0.86 0.58 0.35 0.00 0.00 0.00 176.91 178.48 3fzs h PHE 611 N 1.23 1.10 -0.33 -0.22 3.57 -0.02 0.30 116.94 122.57 3fzs h PHE 611 Ca 0.32 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 3fzs h PHE 611 Cb -0.03 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 3fzs h PHE 611 CO 0.01 0.68 -0.12 0.00 -2.23 0.00 0.00 178.31 176.64 3fzs h ALA 612 N 1.34 1.18 -0.74 2.41 0.00 -0.79 0.24 119.26 122.89 3fzs h ALA 612 Ca 0.33 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fzs h ALA 612 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3fzs h ALA 612 CO -0.08 0.52 0.46 0.28 0.00 0.00 0.00 179.25 180.43 3fzs h VAL 613 N 0.52 1.21 -0.48 0.00 2.07 -0.77 -0.09 116.25 118.71 3fzs h VAL 613 Ca 0.09 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3fzs h VAL 613 Cb 0.52 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3fzs h VAL 613 CO 0.03 0.21 0.24 0.00 0.02 0.00 0.00 177.57 178.07 3fzs h MET 615 N 0.63 0.25 -0.58 0.00 2.86 -0.36 -0.64 114.93 117.09 3fzs h MET 615 Ca 0.17 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.88 3fzs h MET 615 Cb 0.09 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.62 3fzs h MET 615 CO -0.02 0.16 0.19 2.35 1.06 0.00 0.00 176.91 180.65 3fzs h TRP 616 N 0.25 0.33 -0.30 -0.22 7.01 -0.53 0.00 115.95 122.50 3fzs h TRP 616 Ca 0.22 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.30 3fzs h TRP 616 Cb 0.27 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 3fzs h TRP 616 CO -0.20 0.07 0.05 0.93 -2.79 0.00 0.00 178.44 176.50 3fzs h GLU 617 N 0.36 0.15 -0.24 2.65 5.08 -0.40 -1.16 114.58 121.03 3fzs h GLU 617 Ca 0.29 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3fzs h GLU 617 Cb 0.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3fzs h GLU 617 CO -0.31 0.10 0.14 0.82 -1.00 0.00 0.00 179.01 178.76 3fzs h ILE 618 N 0.15 1.09 0.00 3.13 2.04 -0.45 0.37 117.51 123.85 3fzs h ILE 618 Ca 0.14 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3fzs h ILE 618 Cb 0.16 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3fzs h ILE 618 CO -0.19 0.09 0.00 0.18 0.00 0.00 0.00 178.15 178.23 3fzs n LEU 619 N -4.89 0.46 -1.51 1.44 7.99 -0.08 -1.76 117.00 118.64 3fzs n LEU 619 Ca -0.03 0.59 0.10 0.00 -0.01 0.00 0.00 56.01 56.66 3fzs n LEU 619 Cb 0.05 -0.51 0.34 0.00 -0.11 0.00 0.00 43.42 43.20 3fzs n LEU 619 CO 0.34 -0.36 0.80 -1.20 -1.51 0.00 0.00 177.39 175.46 3fzs n SER 620 N -1.98 4.46 -4.03 -1.43 7.64 -0.45 -4.51 113.62 113.31 3fzs n SER 620 Ca 0.04 -2.33 -0.33 0.00 1.01 0.00 0.00 58.87 57.26 3fzs n SER 620 Cb 0.26 -0.55 0.01 0.00 -1.01 0.00 0.00 64.21 62.91 3fzs n SER 620 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3fzs n PHE 621 N 1.23 -2.11 -0.10 1.43 3.72 -0.72 -2.99 117.46 117.91 3fzs n PHE 621 Ca 0.25 0.87 0.00 0.00 -0.05 0.00 0.00 57.45 58.52 3fzs n PHE 621 Cb 0.81 -3.61 0.00 0.00 -0.94 0.00 0.00 39.48 35.74 3fzs n PHE 621 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fzs n GLY 622 N -1.59 0.62 3.64 1.37 0.00 0.06 -3.67 105.19 105.62 3fzs n GLY 622 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3fzs n GLY 622 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fzs n LYS 623 N -2.02 1.07 -3.13 1.61 5.02 -1.16 -4.97 118.16 114.58 3fzs n LYS 623 Ca 0.00 0.41 -0.39 0.00 -2.02 0.00 0.00 58.31 56.31 3fzs n LYS 623 Cb 0.00 -2.23 -0.05 0.00 -0.02 0.00 0.00 35.03 32.72 3fzs n LYS 623 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3fzs s GLN 624 N -2.73 4.39 0.39 1.97 -1.52 -1.26 -4.57 119.66 116.32 3fzs s GLN 624 Ca 0.74 0.80 -0.27 0.00 -1.95 0.00 0.00 55.36 54.67 3fzs s GLN 624 Cb -0.43 -3.40 -0.10 0.00 -0.22 0.00 0.00 33.01 28.86 3fzs s GLN 624 CO 0.48 0.21 1.42 -1.25 -0.25 0.00 0.00 175.29 175.90 3fzs s PRO 625 N 0.32 4.04 -1.52 2.91 0.04 -1.26 -2.69 135.00 136.84 3fzs s PRO 625 Ca 0.34 2.43 -0.13 0.00 0.04 0.00 0.00 61.00 63.68 3fzs s PRO 625 Cb -0.18 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.56 3fzs s PRO 625 CO 0.17 -0.53 0.84 1.19 0.04 0.00 0.00 177.00 178.71 3fzs n PHE 626 N 0.33 -2.09 0.28 0.56 3.72 -1.26 -4.82 117.46 114.19 3fzs n PHE 626 Ca 0.02 0.78 0.16 0.00 -0.05 0.00 0.00 57.45 58.37 3fzs n PHE 626 Cb 0.41 -3.62 0.80 0.00 -0.94 0.00 0.00 39.48 36.13 3fzs n PHE 626 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3fzs h PHE 627 N -1.73 0.00 -0.01 1.38 -5.15 -1.94 -1.46 116.94 108.03 3fzs h PHE 627 Ca -0.55 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.22 3fzs h PHE 627 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.53 3fzs h PHE 627 CO 0.60 0.00 0.00 -2.67 -2.00 0.00 0.00 178.31 174.24 3fzs n TRP 628 N -2.68 0.00 -4.43 6.09 2.14 -1.26 -4.88 117.44 112.41 3fzs n TRP 628 Ca -0.01 -0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.30 3fzs n TRP 628 Cb 0.13 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.52 3fzs n TRP 628 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3fzs s LEU 629 N -1.99 2.57 0.36 5.67 1.43 -0.55 -5.14 118.68 121.03 3fzs s LEU 629 Ca 0.39 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 3fzs s LEU 629 Cb 0.21 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 45.15 3fzs s LEU 629 CO 0.34 0.08 0.79 -1.61 0.23 0.00 0.00 176.35 176.18 3fzs s GLU 630 N -3.08 4.00 0.32 1.70 2.02 -1.26 -4.99 118.70 117.40 3fzs s GLU 630 Ca 0.25 0.73 0.10 0.00 0.02 0.00 0.00 54.97 56.07 3fzs s GLU 630 Cb -0.07 -2.37 0.93 0.00 0.10 0.00 0.00 34.13 32.73 3fzs s GLU 630 CO 0.13 0.07 1.67 -0.91 0.02 0.00 0.00 175.26 176.24 3fzs h ASN 631 N 1.97 0.39 0.37 -0.19 2.35 -2.00 -1.36 115.58 117.10 3fzs h ASN 631 Ca -0.48 0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.43 3fzs h ASN 631 Cb 1.18 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 3fzs h ASN 631 CO 0.64 -0.10 -0.12 0.07 -1.65 0.00 0.00 177.43 176.28 3fzs h LYS 632 N 0.34 0.00 0.00 0.81 2.10 -2.02 -2.67 116.57 115.13 3fzs h LYS 632 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 3fzs h LYS 632 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3fzs h LYS 632 CO -0.59 0.12 -0.35 -0.44 -2.00 0.00 0.00 179.45 176.18 3fzs h ASP 633 N 0.00 0.00 0.28 7.07 3.32 -1.64 -3.40 116.42 122.04 3fzs h ASP 633 Ca -0.00 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3fzs h ASP 633 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3fzs h ASP 633 CO 0.02 0.05 -0.13 0.58 -1.72 0.00 0.00 179.24 178.03 3fzs h VAL 634 N 0.00 0.75 -0.97 -1.35 2.07 -1.51 -2.98 116.25 112.27 3fzs h VAL 634 Ca 0.00 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3fzs h VAL 634 Cb 0.78 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3fzs h VAL 634 CO 0.00 0.04 0.63 -0.29 0.02 0.00 0.00 177.57 177.97 3fzs h ILE 635 N -0.46 1.19 -0.85 4.57 6.09 -1.78 -1.76 117.51 124.50 3fzs h ILE 635 Ca -0.04 -0.43 0.06 0.00 -1.37 0.00 0.00 64.86 63.08 3fzs h ILE 635 Cb 0.35 -0.16 -0.06 0.00 0.47 0.00 0.00 36.82 37.42 3fzs h ILE 635 CO 0.06 0.23 0.53 1.23 -3.07 0.00 0.00 178.15 177.13 3fzs h GLY 636 N 1.24 1.28 0.79 8.18 0.00 -1.81 0.12 103.07 112.87 3fzs h GLY 636 Ca 0.38 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3fzs h GLY 636 CO -0.11 0.28 -0.03 -2.08 0.00 0.00 0.00 176.54 174.60 3fzs h VAL 637 N 0.98 1.28 -0.64 4.60 2.07 -1.21 -2.43 116.25 120.91 3fzs h VAL 637 Ca 0.37 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 3fzs h VAL 637 Cb 0.14 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3fzs h VAL 637 CO -0.16 0.29 0.20 -0.07 0.02 0.00 0.00 177.57 177.84 3fzs h LEU 638 N 0.05 0.93 -1.32 2.57 3.38 -0.96 -1.24 115.31 118.72 3fzs h LEU 638 Ca 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3fzs h LEU 638 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3fzs h LEU 638 CO 0.01 0.89 0.33 -0.33 0.09 0.00 0.00 178.44 179.44 3fzs h GLU 639 N 0.91 0.79 0.00 1.13 4.39 -0.72 -1.81 114.58 119.28 3fzs h GLU 639 Ca 0.20 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3fzs h GLU 639 Cb 0.29 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3fzs h GLU 639 CO -0.01 0.57 0.00 1.17 -1.16 0.00 0.00 179.01 179.59 3fzs n LYS 640 N -4.40 0.93 -0.36 2.33 4.81 -0.92 -4.90 118.16 115.65 3fzs n LYS 640 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3fzs n LYS 640 Cb 0.09 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.64 3fzs n LYS 640 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fzs n GLY 641 N 0.99 0.74 3.82 3.14 0.00 -0.68 -5.07 105.19 108.14 3fzs n GLY 641 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3fzs n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fzs s ASP 642 N -2.58 6.71 0.12 1.61 1.01 -0.49 -5.00 116.67 118.05 3fzs s ASP 642 Ca 0.00 1.68 -0.02 0.00 0.71 0.00 0.00 52.55 54.92 3fzs s ASP 642 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3fzs s ASP 642 CO 0.00 -0.52 0.07 -0.13 0.21 0.00 0.00 175.17 174.80 3fzs s ARG 643 N -3.53 0.89 0.21 8.23 1.81 -1.26 -4.18 118.95 121.11 3fzs s ARG 643 Ca 0.62 -1.35 -0.32 0.00 -1.72 0.00 0.00 55.73 52.95 3fzs s ARG 643 Cb -0.10 0.25 -0.13 0.00 -0.45 0.00 0.00 34.95 34.52 3fzs s ARG 643 CO 0.21 -0.25 1.54 1.28 -0.68 0.00 0.00 175.30 177.40 3fzs n LEU 644 N -0.06 3.37 -4.79 2.53 4.77 -1.26 -4.97 117.00 116.59 3fzs n LEU 644 Ca -0.08 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.70 3fzs n LEU 644 Cb 0.63 -1.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.32 3fzs n LEU 644 CO 0.29 -0.25 0.71 -2.16 -1.33 0.00 0.00 177.39 174.65 3fzs s PRO 645 N 0.29 2.61 0.08 3.23 0.04 -1.26 -4.96 135.00 135.05 3fzs s PRO 645 Ca 0.73 1.12 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 3fzs s PRO 645 Cb -0.63 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 3fzs s PRO 645 CO 0.43 -1.36 1.72 0.21 0.04 0.00 0.00 177.00 178.04 3fzs s LYS 646 N -4.82 4.17 0.49 4.56 2.20 -1.26 -4.95 119.74 120.13 3fzs s LYS 646 Ca 0.61 2.43 -0.24 0.00 -0.36 0.00 0.00 55.97 58.41 3fzs s LYS 646 Cb -0.16 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.47 3fzs s LYS 646 CO 0.53 -0.78 1.38 -2.30 -0.36 0.00 0.00 175.35 173.82 3fzs n PRO 647 N 5.71 1.98 -0.26 4.03 -0.02 -1.26 -4.89 135.00 140.29 3fzs n PRO 647 Ca 0.17 0.71 0.04 0.00 -2.02 0.00 0.00 63.50 62.40 3fzs n PRO 647 Cb 0.40 -2.57 0.14 0.00 -0.02 0.00 0.00 33.50 31.44 3fzs n PRO 647 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3fzs h ASP 648 N 1.90 -0.48 0.10 2.55 3.58 -1.93 -1.40 116.42 120.75 3fzs h ASP 648 Ca -0.50 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.15 3fzs h ASP 648 Cb 1.29 0.39 0.00 0.00 1.72 0.00 0.00 39.33 42.73 3fzs h ASP 648 CO 0.59 -0.21 -0.06 0.18 -2.88 0.00 0.00 179.24 176.86 3fzs n LEU 649 N -5.40 0.92 -4.68 2.28 4.32 -1.26 -4.87 117.00 108.30 3fzs n LEU 649 Ca 0.13 -0.26 -0.42 0.00 -0.02 0.00 0.00 56.01 55.43 3fzs n LEU 649 Cb 0.45 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.17 3fzs n LEU 649 CO 0.02 0.16 1.02 0.00 -1.22 0.00 0.00 177.39 177.38 3fzs n PRO 651 N 5.62 2.41 -0.34 0.00 -0.02 -1.26 -4.83 135.00 136.58 3fzs n PRO 651 Ca 0.12 0.85 0.12 0.00 -2.02 0.00 0.00 63.50 62.57 3fzs n PRO 651 Cb 0.45 -2.53 0.32 0.00 -0.02 0.00 0.00 33.50 31.72 3fzs n PRO 651 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fzs h PRO 652 N 3.28 0.78 -0.45 0.52 0.11 -1.97 -0.86 132.00 133.41 3fzs h PRO 652 Ca -0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3fzs h PRO 652 Cb 1.26 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3fzs h PRO 652 CO 0.68 0.51 0.16 0.28 -0.21 0.00 0.00 178.00 179.42 3fzs h VAL 653 N 0.80 1.18 -0.21 3.15 2.07 -2.00 -0.89 116.25 120.35 3fzs h VAL 653 Ca 0.54 -0.58 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 3fzs h VAL 653 Cb 0.79 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3fzs h VAL 653 CO -0.32 0.22 -0.60 0.25 0.02 0.00 0.00 177.57 177.14 3fzs h LEU 654 N 0.64 0.79 -0.66 2.57 5.85 -1.56 -2.41 115.31 120.53 3fzs h LEU 654 Ca 0.15 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3fzs h LEU 654 Cb 0.16 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3fzs h LEU 654 CO -0.01 1.21 0.26 0.22 -0.34 0.00 0.00 178.44 179.78 3fzs h TYR 655 N 0.52 1.02 -0.66 1.25 3.20 -0.76 -1.08 116.97 120.46 3fzs h TYR 655 Ca -0.00 -0.08 0.08 0.00 3.14 0.00 0.00 58.73 61.87 3fzs h TYR 655 Cb 1.19 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 39.09 3fzs h TYR 655 CO 0.06 0.80 0.33 1.15 -1.64 0.00 0.00 178.16 178.86 3fzs h THR 656 N 0.94 0.88 -0.60 1.81 2.02 -1.05 -0.35 112.91 116.57 3fzs h THR 656 Ca 0.22 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3fzs h THR 656 Cb 0.22 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3fzs h THR 656 CO -0.02 0.11 0.33 -0.07 0.37 0.00 0.00 175.52 176.24 3fzs h LEU 657 N 0.59 0.74 -0.37 2.58 3.38 -0.92 -1.93 115.31 119.38 3fzs h LEU 657 Ca 0.32 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3fzs h LEU 657 Cb 0.29 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3fzs h LEU 657 CO -0.24 0.61 0.03 0.24 0.09 0.00 0.00 178.44 179.18 3fzs h MET 658 N 0.81 0.13 -0.26 1.13 2.86 -0.56 -1.55 114.93 117.50 3fzs h MET 658 Ca 0.21 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3fzs h MET 658 Cb 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3fzs h MET 658 CO -0.03 0.09 0.10 1.79 1.06 0.00 0.00 176.91 179.91 3fzs h THR 659 N 0.14 1.11 -0.37 2.22 1.35 -0.64 -0.93 112.91 115.79 3fzs h THR 659 Ca 0.18 -0.34 -0.12 0.00 -0.55 0.00 0.00 66.41 65.58 3fzs h THR 659 Cb 0.24 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 3fzs h THR 659 CO -0.28 0.13 -0.27 0.03 -0.25 0.00 0.00 175.52 174.88 3fzs h ARG 660 N 0.36 0.77 0.00 4.72 3.08 -0.71 -2.02 114.38 120.58 3fzs h ARG 660 Ca 0.09 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3fzs h ARG 660 Cb 0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3fzs h ARG 660 CO -0.01 0.95 -0.09 0.00 -1.07 0.00 0.00 179.97 179.75 3fzs n TRP 662 N -3.71 2.44 -2.01 0.00 8.01 -0.46 -3.72 117.44 117.99 3fzs n TRP 662 Ca -0.02 -1.25 -0.41 0.00 -1.31 0.00 0.00 57.50 54.51 3fzs n TRP 662 Cb 0.20 -0.71 -0.02 0.00 -2.01 0.00 0.00 31.31 28.77 3fzs n TRP 662 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 3fzs s ASP 663 N -0.95 6.65 0.27 -0.99 -1.08 -0.98 -4.89 116.67 114.71 3fzs s ASP 663 Ca 0.52 2.68 -0.00 0.00 -0.52 0.00 0.00 52.55 55.23 3fzs s ASP 663 Cb 0.42 -2.63 0.51 0.00 -1.46 0.00 0.00 42.92 39.76 3fzs s ASP 663 CO 0.12 -0.70 1.83 0.22 0.52 0.00 0.00 175.17 177.17 3fzs h TYR 664 N 4.87 1.08 -3.54 -5.34 3.20 -1.92 -3.39 116.97 111.92 3fzs h TYR 664 Ca -0.46 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 60.86 3fzs h TYR 664 Cb 1.22 -0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.07 3fzs h TYR 664 CO 0.60 0.43 0.80 0.34 -1.64 0.00 0.00 178.16 178.69 3fzs s ASP 665 N -5.68 6.72 0.49 -2.11 -1.08 -1.26 -4.87 116.67 108.88 3fzs s ASP 665 Ca -0.12 0.64 0.19 0.00 -0.52 0.00 0.00 52.55 52.74 3fzs s ASP 665 Cb 0.21 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 40.38 3fzs s ASP 665 CO 0.80 -1.03 2.02 -0.65 0.52 0.00 0.00 175.17 176.83 3fzs h PRO 666 N 8.70 0.15 0.00 4.34 0.11 -1.96 -0.70 132.00 142.64 3fzs h PRO 666 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3fzs h PRO 666 Cb 1.07 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fzs h PRO 666 CO 1.06 0.10 0.00 0.77 -0.21 0.00 0.00 178.00 179.72 3fzs h SER 667 N 0.16 0.00 0.14 -2.05 0.02 -1.94 -2.70 113.55 107.19 3fzs h SER 667 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3fzs h SER 667 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3fzs h SER 667 CO -0.03 0.00 -0.36 0.47 -1.14 0.00 0.00 176.83 175.77 3fzs n ASP 668 N -2.54 1.39 -4.79 3.07 8.00 -0.27 -4.89 116.55 116.51 3fzs n ASP 668 Ca 0.01 -1.12 -0.37 0.00 0.71 0.00 0.00 54.79 54.02 3fzs n ASP 668 Cb 0.20 0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 3fzs n ASP 668 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fzs s ARG 669 N -2.51 4.50 0.67 -1.24 0.52 -1.02 -4.88 118.95 114.99 3fzs s ARG 669 Ca 0.22 1.18 -0.15 0.00 -0.52 0.00 0.00 55.73 56.45 3fzs s ARG 669 Cb 0.19 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.75 3fzs s ARG 669 CO 0.55 0.36 1.14 -1.25 0.02 0.00 0.00 175.30 176.13 3fzs s PRO 670 N -1.87 2.64 0.63 3.54 0.04 -1.26 -5.02 135.00 133.70 3fzs s PRO 670 Ca 0.46 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 3fzs s PRO 670 Cb -0.19 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3fzs s PRO 670 CO 0.24 -1.40 1.13 1.03 0.04 0.00 0.00 177.00 178.04 3fzs s ARG 671 N -3.96 2.92 0.29 4.56 0.52 -1.26 -4.90 118.95 117.12 3fzs s ARG 671 Ca 0.70 1.51 -0.01 0.00 -0.52 0.00 0.00 55.73 57.41 3fzs s ARG 671 Cb -0.23 -1.96 0.48 0.00 0.52 0.00 0.00 34.95 33.75 3fzs s ARG 671 CO 0.41 -1.18 1.91 0.74 0.02 0.00 0.00 175.30 177.21 3fzs h PHE 672 N 0.39 1.09 -0.69 -0.53 0.04 -1.93 0.12 116.94 115.44 3fzs h PHE 672 Ca -0.48 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.40 3fzs h PHE 672 Cb 1.26 -0.36 -0.07 0.00 2.20 0.00 0.00 35.95 38.98 3fzs h PHE 672 CO 0.53 0.59 0.35 1.15 -0.60 0.00 0.00 178.31 180.33 3fzs h THR 673 N 1.10 0.88 0.06 -1.55 2.02 -1.90 -0.73 112.91 112.78 3fzs h THR 673 Ca 0.39 -0.21 -0.24 0.00 0.77 0.00 0.00 66.41 67.12 3fzs h THR 673 Cb 0.13 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 3fzs h THR 673 CO -0.14 0.11 -1.05 -0.33 0.37 0.00 0.00 175.52 174.48 3fzs h GLU 674 N 0.61 0.25 -0.30 6.66 3.07 -1.87 -3.27 114.58 119.74 3fzs h GLU 674 Ca 0.33 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 3fzs h GLU 674 Cb 0.31 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3fzs h GLU 674 CO -0.24 1.10 0.13 1.25 -1.40 0.00 0.00 179.01 179.84 3fzs h LEU 675 N 0.11 0.36 -0.62 1.33 5.85 -0.33 -0.45 115.31 121.55 3fzs h LEU 675 Ca -0.09 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.70 3fzs h LEU 675 Cb 1.74 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.61 3fzs h LEU 675 CO 0.17 0.33 0.23 0.58 -0.34 0.00 0.00 178.44 179.41 3fzs h VAL 676 N 0.41 0.76 -0.49 1.05 2.07 -1.20 0.31 116.25 119.17 3fzs h VAL 676 Ca 0.10 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3fzs h VAL 676 Cb 0.07 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3fzs h VAL 676 CO -0.01 0.08 0.20 0.00 0.02 0.00 0.00 177.57 177.85 3fzs h SER 678 N 0.65 0.67 -0.21 0.00 0.02 -0.95 -1.92 113.55 111.80 3fzs h SER 678 Ca 0.16 -0.32 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3fzs h SER 678 Cb 0.19 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3fzs h SER 678 CO -0.01 0.83 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.24 3fzs h LEU 679 N 0.50 0.66 -1.11 5.07 3.38 -0.30 -2.39 115.31 121.12 3fzs h LEU 679 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3fzs h LEU 679 Cb 0.50 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3fzs h LEU 679 CO 0.02 0.86 0.45 0.28 0.09 0.00 0.00 178.44 180.14 3fzs h SER 680 N 0.58 0.94 -0.24 -0.43 0.02 -0.71 -0.08 113.55 113.63 3fzs h SER 680 Ca 0.09 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3fzs h SER 680 Cb 0.66 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3fzs h SER 680 CO 0.05 0.74 0.14 -0.78 -1.14 0.00 0.00 176.83 175.83 3fzs h ASP 681 N 1.07 0.29 -0.58 3.07 3.58 -1.13 -1.18 116.42 121.54 3fzs h ASP 681 Ca 0.28 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.65 3fzs h ASP 681 Cb -0.01 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 3fzs h ASP 681 CO -0.05 0.27 0.30 0.58 -2.88 0.00 0.00 179.24 177.46 3fzs h VAL 682 N 0.29 1.20 -0.19 2.25 2.07 -0.96 -1.07 116.25 119.84 3fzs h VAL 682 Ca 0.08 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3fzs h VAL 682 Cb 0.04 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3fzs h VAL 682 CO -0.02 0.22 0.03 0.22 0.02 0.00 0.00 177.57 178.04 3fzs h TYR 683 N 0.79 0.04 -0.68 1.57 3.20 -0.86 -0.05 116.97 120.97 3fzs h TYR 683 Ca 0.20 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3fzs h TYR 683 Cb 0.08 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3fzs h TYR 683 CO -0.01 0.01 0.18 1.96 -1.64 0.00 0.00 178.16 178.66 3fzs h GLN 684 N 0.10 1.09 -0.65 1.82 1.08 -0.90 0.12 115.11 117.76 3fzs h GLN 684 Ca 0.09 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3fzs h GLN 684 Cb 0.09 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3fzs h GLN 684 CO -0.12 0.96 0.42 0.52 -0.95 0.00 0.00 178.83 179.66 3fzs h MET 685 N 1.02 0.82 -0.09 1.46 2.86 -1.02 -1.23 114.93 118.75 3fzs h MET 685 Ca 0.22 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 3fzs h MET 685 Cb 0.35 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3fzs h MET 685 CO 0.00 0.54 -0.49 0.93 1.06 0.00 0.00 176.91 178.95 3fzs h GLU 686 N 0.85 0.22 -0.39 1.72 4.39 -0.49 -2.12 114.58 118.76 3fzs h GLU 686 Ca 0.25 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 3fzs h GLU 686 Cb -0.05 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3fzs h GLU 686 CO -0.08 0.66 -0.06 -0.22 -1.16 0.00 0.00 179.01 178.16 3fzs h LYS 687 N 0.18 0.73 0.08 2.33 3.64 -0.49 -2.12 116.57 120.91 3fzs h LYS 687 Ca 0.01 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3fzs h LYS 687 Cb 0.93 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3fzs h LYS 687 CO 0.07 0.86 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.63 3fzs h ASP 688 N 0.55 -0.09 -0.84 4.20 3.32 -1.13 -2.69 116.42 119.72 3fzs h ASP 688 Ca 0.10 -0.11 0.19 0.00 0.02 0.00 0.00 57.03 57.23 3fzs h ASP 688 Cb 0.56 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 40.02 3fzs h ASP 688 CO 0.03 0.05 0.35 0.40 -1.72 0.00 0.00 179.24 178.35 3fzs h ILE 689 N -0.23 0.54 0.00 0.35 2.04 -1.39 -3.52 117.51 115.30 3fzs h ILE 689 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3fzs h ILE 689 Cb 0.19 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3fzs h ILE 689 CO 0.02 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.24