#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9x s PRO 502 N 0.00 2.45 -0.34 0.03 0.02 -1.26 -4.98 135.00 130.92 1b9x s PRO 502 Ca 0.00 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.64 1b9x s PRO 502 Cb 0.00 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 1b9x s PRO 502 CO 0.00 -1.61 0.46 0.14 -0.33 0.00 0.00 177.00 175.66 1b9x s VAL 503 N -1.83 5.07 -0.02 3.83 -7.23 -1.26 -5.07 120.40 113.89 1b9x s VAL 503 Ca 0.76 0.30 -0.04 0.00 -1.81 0.00 0.00 61.98 61.18 1b9x s VAL 503 Cb -0.30 -3.90 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 1b9x s VAL 503 CO 0.41 -0.14 0.20 -0.51 -0.31 0.00 0.00 175.10 174.75 1b9x s ILE 504 N 2.25 5.41 -0.25 -0.62 2.07 -1.26 -5.10 121.20 123.71 1b9x s ILE 504 Ca 0.16 -0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.27 1b9x s ILE 504 Cb -0.16 -3.53 0.09 0.00 0.13 0.00 0.00 42.46 38.99 1b9x s ILE 504 CO 0.12 0.38 0.59 0.21 -1.91 0.00 0.00 174.94 174.33 1b9x s ASN 505 N -1.74 -0.82 0.49 4.50 3.04 -1.26 -5.16 114.94 114.00 1b9x s ASN 505 Ca 0.26 1.33 -0.04 0.00 0.04 0.00 0.00 52.86 54.44 1b9x s ASN 505 Cb -0.13 1.46 -0.02 0.00 -1.54 0.00 0.00 41.25 41.02 1b9x s ASN 505 CO 0.16 -0.22 0.79 -0.63 -3.04 0.00 0.00 177.10 174.15 1b9x s ILE 506 N 2.00 4.57 -0.46 -5.21 -1.09 -1.26 -5.02 121.20 114.73 1b9x s ILE 506 Ca -0.08 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1b9x s ILE 506 Cb -0.08 -3.74 0.61 0.00 -1.58 0.00 0.00 42.46 37.67 1b9x s ILE 506 CO -0.17 -0.70 1.87 -0.62 -1.23 0.00 0.00 174.94 174.08 1b9x n GLU 507 N -2.29 2.29 -1.15 2.79 -0.58 -1.26 -4.57 120.64 115.88 1b9x n GLU 507 Ca 0.01 -3.10 -0.23 0.00 -0.42 0.00 0.00 57.16 53.42 1b9x n GLU 507 Cb 0.56 -2.15 0.16 0.00 -0.57 0.00 0.00 31.44 29.44 1b9x n GLU 507 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1b9x n ASP 508 N -1.10 3.96 -4.21 1.62 5.68 -1.26 -4.96 116.55 116.28 1b9x n ASP 508 Ca 0.57 -3.51 -0.30 0.00 -0.50 0.00 0.00 54.79 51.06 1b9x n ASP 508 Cb 1.43 -0.83 0.19 0.00 -1.14 0.00 0.00 41.12 40.78 1b9x n ASP 508 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1b9x s LEU 509 N -3.09 1.62 0.45 -2.12 1.43 -1.26 -5.07 118.68 110.63 1b9x s LEU 509 Ca 0.53 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 54.33 1b9x s LEU 509 Cb 0.45 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1b9x s LEU 509 CO 0.09 -3.29 0.64 -0.89 0.23 0.00 0.00 176.35 173.13 1b9x s THR 510 N -3.30 3.27 0.25 5.49 2.01 -1.26 -4.96 115.64 117.14 1b9x s THR 510 Ca 0.69 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1b9x s THR 510 Cb -0.10 -3.16 0.24 0.00 0.01 0.00 0.00 72.50 69.49 1b9x s THR 510 CO 0.55 -0.09 1.85 -0.33 -0.69 0.00 0.00 174.62 175.91 1b9x h GLU 511 N 0.46 0.99 -0.33 4.92 4.39 -1.99 -1.36 114.58 121.66 1b9x h GLU 511 Ca -0.43 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1b9x h GLU 511 Cb 1.28 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1b9x h GLU 511 CO 0.51 0.66 0.12 -0.22 -1.16 0.00 0.00 179.01 178.91 1b9x h LYS 512 N 1.02 0.49 -0.57 2.33 3.64 -1.98 0.45 116.57 121.95 1b9x h LYS 512 Ca 0.41 -0.10 0.13 0.00 -1.27 0.00 0.00 60.65 59.82 1b9x h LYS 512 Cb 0.22 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1b9x h LYS 512 CO -0.19 0.51 0.39 -0.44 -2.27 0.00 0.00 179.45 177.45 1b9x h ASP 513 N 0.37 0.18 0.16 4.20 3.32 -1.65 0.27 116.42 123.28 1b9x h ASP 513 Ca 0.11 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.91 1b9x h ASP 513 Cb 0.21 -0.03 0.03 0.00 0.22 0.00 0.00 39.33 39.76 1b9x h ASP 513 CO -0.01 0.10 -1.10 0.11 -1.72 0.00 0.00 179.24 176.62 1b9x h LYS 514 N 0.20 0.46 -0.78 3.56 1.57 -0.82 -2.94 116.57 117.82 1b9x h LYS 514 Ca 0.27 -0.71 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1b9x h LYS 514 Cb 0.80 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1b9x h LYS 514 CO -0.05 1.33 0.45 -0.07 -0.57 0.00 0.00 179.45 180.54 1b9x h LEU 515 N -0.05 0.95 0.23 2.94 3.38 0.20 0.43 115.31 123.39 1b9x h LEU 515 Ca -0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1b9x h LEU 515 Cb 1.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 1b9x h LEU 515 CO 0.21 0.75 -0.26 0.11 0.09 0.00 0.00 178.44 179.35 1b9x h LYS 516 N 1.07 -0.47 -1.08 1.13 1.57 -0.60 -1.62 116.57 116.56 1b9x h LYS 516 Ca 0.28 0.03 0.29 0.00 -1.87 0.00 0.00 60.65 59.38 1b9x h LYS 516 Cb -0.00 0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.31 1b9x h LYS 516 CO -0.05 -0.32 0.70 0.52 -0.57 0.00 0.00 179.45 179.73 1b9x h MET 517 N -0.49 0.32 -0.23 3.15 2.86 -1.32 -0.89 114.93 118.33 1b9x h MET 517 Ca -0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1b9x h MET 517 Cb 0.43 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1b9x h MET 517 CO -0.04 0.22 0.06 1.49 1.06 0.00 0.00 176.91 179.70 1b9x h GLU 518 N 0.33 0.36 -0.08 1.72 4.81 -0.17 -1.47 114.58 120.08 1b9x h GLU 518 Ca 0.63 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.69 1b9x h GLU 518 Cb 1.69 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 1b9x h GLU 518 CO -0.31 0.46 -0.36 -0.39 -0.73 0.00 0.00 179.01 177.67 1b9x h VAL 519 N 0.19 1.28 0.23 0.32 -1.51 -0.28 -0.60 116.25 115.89 1b9x h VAL 519 Ca 0.07 -1.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.17 1b9x h VAL 519 Cb 0.25 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1b9x h VAL 519 CO -0.00 0.40 -0.11 0.44 -1.23 0.00 0.00 177.57 177.07 1b9x h ASP 520 N 0.14 -0.26 -0.23 4.19 3.45 -1.17 -0.49 116.42 122.06 1b9x h ASP 520 Ca 0.02 -0.13 0.02 0.00 0.43 0.00 0.00 57.03 57.36 1b9x h ASP 520 Cb 0.71 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.53 1b9x h ASP 520 CO 0.05 -0.01 0.11 -0.61 -1.57 0.00 0.00 179.24 177.21 1b9x h GLN 521 N -0.50 0.23 -0.86 3.56 5.75 -1.15 -1.70 115.11 120.43 1b9x h GLN 521 Ca -0.03 -0.01 0.17 0.00 -0.15 0.00 0.00 58.65 58.62 1b9x h GLN 521 Cb 0.38 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.81 1b9x h GLN 521 CO 0.05 0.15 0.57 -0.07 -2.65 0.00 0.00 178.83 176.88 1b9x h LEU 522 N 0.23 0.50 -0.23 -2.39 3.38 -0.94 0.13 115.31 115.99 1b9x h LEU 522 Ca 0.10 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1b9x h LEU 522 Cb 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1b9x h LEU 522 CO -0.07 0.23 -0.42 0.11 0.09 0.00 0.00 178.44 178.37 1b9x h LYS 523 N 0.52 0.70 -0.17 1.13 1.57 -0.44 -1.70 116.57 118.18 1b9x h LYS 523 Ca 0.44 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b9x h LYS 523 Cb 0.93 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1b9x h LYS 523 CO -0.18 1.06 0.11 -0.22 -0.57 0.00 0.00 179.45 179.65 1b9x h LYS 524 N 0.41 0.23 -0.23 3.15 3.64 -0.20 -2.00 116.57 121.57 1b9x h LYS 524 Ca 0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1b9x h LYS 524 Cb 1.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1b9x h LYS 524 CO 0.10 0.16 0.15 0.93 -2.27 0.00 0.00 179.45 178.52 1b9x h GLU 525 N 0.23 0.27 -0.28 1.90 5.08 -0.77 -1.85 114.58 119.14 1b9x h GLU 525 Ca 0.06 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1b9x h GLU 525 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1b9x h GLU 525 CO -0.01 0.18 -0.20 0.28 -1.00 0.00 0.00 179.01 178.26 1b9x h VAL 526 N 0.27 1.25 0.00 3.13 2.07 -0.56 -2.35 116.25 120.06 1b9x h VAL 526 Ca 0.09 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1b9x h VAL 526 Cb 0.03 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1b9x h VAL 526 CO -0.02 0.38 0.00 0.35 0.02 0.00 0.00 177.57 178.30 1b9x n THR 527 N -4.15 0.00 -2.55 2.57 -2.24 -0.70 -4.82 114.28 102.39 1b9x n THR 527 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1b9x n THR 527 Cb 0.37 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1b9x n THR 527 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1b9x s LEU 528 N -1.50 4.33 -0.22 3.22 2.96 -0.89 -5.01 118.68 121.57 1b9x s LEU 528 Ca 0.20 1.80 -0.23 0.00 -0.22 0.00 0.00 54.13 55.68 1b9x s LEU 528 Cb 0.09 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 1b9x s LEU 528 CO 0.16 -0.43 0.76 -1.61 -1.32 0.00 0.00 176.35 173.90 1b9x s GLU 529 N 1.44 4.20 0.21 1.98 2.02 -1.26 -5.05 118.70 122.23 1b9x s GLU 529 Ca 0.55 0.82 0.04 0.00 0.02 0.00 0.00 54.97 56.40 1b9x s GLU 529 Cb -0.24 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 1b9x s GLU 529 CO 0.26 -0.41 0.34 1.03 0.02 0.00 0.00 175.26 176.50 1b9x s ARG 530 N 2.49 3.44 0.09 1.61 0.52 -1.26 -5.12 118.95 120.72 1b9x s ARG 530 Ca 0.33 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.89 1b9x s ARG 530 Cb -0.16 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1b9x s ARG 530 CO 0.09 0.45 0.10 1.41 0.02 0.00 0.00 175.30 177.37 1b9x s MET 531 N -3.74 2.94 0.13 3.54 -2.45 -1.26 -5.06 119.30 113.40 1b9x s MET 531 Ca 0.35 -0.69 -0.31 0.00 -1.25 0.00 0.00 55.69 53.78 1b9x s MET 531 Cb -0.10 -2.75 -0.09 0.00 1.25 0.00 0.00 34.83 33.15 1b9x s MET 531 CO 0.29 0.56 1.51 -0.51 1.05 0.00 0.00 175.02 177.92 1b9x s LEU 532 N -2.50 4.37 0.39 4.11 1.43 -1.26 -4.86 118.68 120.36 1b9x s LEU 532 Ca 0.30 2.49 0.18 0.00 -1.03 0.00 0.00 54.13 56.07 1b9x s LEU 532 Cb -0.12 -3.59 1.09 0.00 0.03 0.00 0.00 46.19 43.60 1b9x s LEU 532 CO 0.23 -0.77 1.76 0.58 0.23 0.00 0.00 176.35 178.38 1b9x h VAL 533 N 4.19 0.52 -0.35 -1.59 2.07 -1.99 0.11 116.25 119.21 1b9x h VAL 533 Ca -0.42 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1b9x h VAL 533 Cb 1.20 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1b9x h VAL 533 CO 0.90 0.07 0.02 0.77 0.02 0.00 0.00 177.57 179.35 1b9x h SER 534 N 0.41 -0.09 -0.10 0.57 4.64 -1.99 0.46 113.55 117.45 1b9x h SER 534 Ca 0.60 0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.93 1b9x h SER 534 Cb 1.49 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.69 1b9x h SER 534 CO -0.32 -0.01 -0.12 0.50 -0.87 0.00 0.00 176.83 176.01 1b9x h LYS 535 N 0.13 0.44 -0.15 4.77 1.63 -1.18 -1.74 116.57 120.46 1b9x h LYS 535 Ca 0.17 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1b9x h LYS 535 Cb 0.22 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1b9x h LYS 535 CO -0.27 0.56 -0.17 0.00 -3.45 0.00 0.00 179.45 176.13 1b9x h GLU 538 N 1.07 0.85 -0.09 0.00 4.57 -1.33 0.14 114.58 119.78 1b9x h GLU 538 Ca 0.30 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1b9x h GLU 538 Cb -0.09 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 1b9x h GLU 538 CO -0.08 0.56 -0.52 0.93 -1.18 0.00 0.00 179.01 178.72 1b9x h GLU 539 N 0.87 0.26 0.26 1.92 5.08 -1.33 -1.00 114.58 120.64 1b9x h GLU 539 Ca 0.31 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1b9x h GLU 539 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1b9x h GLU 539 CO -0.14 0.72 -0.12 0.35 -1.00 0.00 0.00 179.01 178.82 1b9x h PHE 540 N 0.20 -0.32 -0.75 4.33 3.57 -0.32 -1.25 116.94 122.41 1b9x h PHE 540 Ca 0.01 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 1b9x h PHE 540 Cb 0.99 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.75 1b9x h PHE 540 CO 0.02 0.04 0.30 -0.09 -2.23 0.00 0.00 178.31 176.36 1b9x h ARG 541 N -0.79 0.44 0.21 1.11 1.12 -0.76 -1.88 114.38 113.83 1b9x h ARG 541 Ca -0.04 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 1b9x h ARG 541 Cb 0.51 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1b9x h ARG 541 CO 0.06 0.29 -0.10 0.22 -3.11 0.00 0.00 179.97 177.33 1b9x h ASP 542 N 0.46 -0.24 0.15 -3.80 1.82 -1.10 -0.34 116.42 113.37 1b9x h ASP 542 Ca 0.41 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 57.04 1b9x h ASP 542 Cb 0.60 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1b9x h ASP 542 CO -0.39 -0.15 -0.21 0.22 -1.61 0.00 0.00 179.24 177.10 1b9x h TYR 543 N -0.31 -0.57 -0.21 0.28 3.20 -0.82 -2.99 116.97 115.55 1b9x h TYR 543 Ca -0.03 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1b9x h TYR 543 Cb 0.24 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1b9x h TYR 543 CO -0.06 -0.31 0.05 0.28 -1.64 0.00 0.00 178.16 176.48 1b9x h VAL 544 N -0.42 1.21 -0.85 1.81 2.07 -1.30 -3.11 116.25 115.65 1b9x h VAL 544 Ca 0.02 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1b9x h VAL 544 Cb 0.43 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1b9x h VAL 544 CO -0.09 0.21 0.55 -0.08 0.02 0.00 0.00 177.57 178.18 1b9x h GLU 545 N 0.16 1.13 0.00 1.57 4.81 -1.09 0.22 114.58 121.38 1b9x h GLU 545 Ca 0.07 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1b9x h GLU 545 Cb 0.28 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1b9x h GLU 545 CO 0.00 0.76 0.00 -0.85 -0.73 0.00 0.00 179.01 178.19 1b9x n GLU 546 N -4.40 0.27 -0.01 1.92 0.28 -1.13 -3.71 120.64 113.86 1b9x n GLU 546 Ca 0.10 0.02 0.01 0.00 -0.16 0.00 0.00 57.16 57.13 1b9x n GLU 546 Cb 0.03 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.36 1b9x n GLU 546 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1b9x n ARG 547 N -1.36 1.05 0.29 3.44 1.74 -0.70 -4.61 116.66 116.51 1b9x n ARG 547 Ca 0.11 -0.04 0.14 0.00 -0.77 0.00 0.00 57.85 57.29 1b9x n ARG 547 Cb 0.26 -1.14 0.86 0.00 -1.02 0.00 0.00 32.46 31.41 1b9x n ARG 547 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1b9x h SER 548 N 0.00 0.00 0.66 0.55 4.64 -0.68 -0.55 113.55 118.17 1b9x h SER 548 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1b9x h SER 548 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1b9x h SER 548 CO 0.00 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.20 1b9x h GLY 549 N 0.02 0.00 -0.82 -0.77 0.00 -1.82 -2.24 103.07 97.44 1b9x h GLY 549 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b9x h GLY 549 CO 0.00 0.00 -0.02 -2.21 0.00 0.00 0.00 176.54 174.31 1b9x n GLU 550 N -2.50 0.63 -2.22 4.80 4.07 -0.24 -4.89 120.64 120.30 1b9x n GLU 550 Ca 0.01 -1.09 -0.43 0.00 -0.06 0.00 0.00 57.16 55.60 1b9x n GLU 550 Cb 0.21 -1.19 -0.02 0.00 -0.06 0.00 0.00 31.44 30.37 1b9x n GLU 550 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1b9x s ASP 551 N -0.94 6.72 0.30 4.31 -1.08 -0.84 -4.91 116.67 120.22 1b9x s ASP 551 Ca 0.12 1.83 0.01 0.00 -0.52 0.00 0.00 52.55 53.98 1b9x s ASP 551 Cb 0.09 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.54 1b9x s ASP 551 CO 0.14 -0.94 1.90 -0.65 0.52 0.00 0.00 175.17 176.14 1b9x h PRO 552 N 9.24 1.01 -0.00 4.34 0.11 -1.88 -1.48 132.00 143.33 1b9x h PRO 552 Ca -0.32 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1b9x h PRO 552 Cb 1.14 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1b9x h PRO 552 CO 0.98 0.67 -0.07 1.28 -0.21 0.00 0.00 178.00 180.64 1b9x n LEU 553 N -4.51 0.17 -0.12 2.35 4.77 -1.26 -1.42 117.00 116.98 1b9x n LEU 553 Ca 0.15 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 56.11 1b9x n LEU 553 Cb 0.22 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1b9x n LEU 553 CO 0.32 0.03 -1.11 0.52 -1.33 0.00 0.00 177.39 175.82 1b9x n VAL 554 N -1.25 1.52 0.04 4.08 0.31 -0.72 -4.67 118.33 117.64 1b9x n VAL 554 Ca 0.12 -0.21 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 1b9x n VAL 554 Cb 0.28 -2.00 -0.14 0.00 -0.91 0.00 0.00 33.84 31.07 1b9x n VAL 554 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1b9x h LYS 555 N -1.00 0.18 0.00 5.55 1.79 -1.43 -3.51 116.57 118.15 1b9x h LYS 555 Ca -0.51 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 57.66 1b9x h LYS 555 Cb 1.42 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.18 1b9x h LYS 555 CO -0.31 1.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.48 1b9x n GLY 556 N 1.63 2.64 3.53 3.86 0.00 -0.51 -5.05 105.19 111.29 1b9x n GLY 556 Ca -0.16 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 1b9x n GLY 556 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b9x s ILE 557 N -2.75 4.05 0.22 -0.61 1.01 -1.26 -4.85 121.20 117.01 1b9x s ILE 557 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.03 1b9x s ILE 557 Cb 0.00 -2.78 -0.11 0.00 0.01 0.00 0.00 42.46 39.58 1b9x s ILE 557 CO 0.00 0.50 1.63 -2.84 0.00 0.00 0.00 174.94 174.22 1b9x s PRO 558 N 0.29 4.16 0.50 2.79 0.02 -1.26 -4.84 135.00 136.66 1b9x s PRO 558 Ca -0.02 2.50 0.34 0.00 0.02 0.00 0.00 61.00 63.84 1b9x s PRO 558 Cb -0.14 -3.09 1.47 0.00 0.02 0.00 0.00 34.50 32.77 1b9x s PRO 558 CO 0.02 -0.66 1.75 1.49 -0.33 0.00 0.00 177.00 179.27 1b9x h GLU 559 N 6.26 0.09 0.00 5.54 4.57 -1.97 0.31 114.58 129.37 1b9x h GLU 559 Ca -0.44 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 57.57 1b9x h GLU 559 Cb 1.21 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 1b9x h GLU 559 CO 0.90 0.06 -0.81 -0.44 -1.18 0.00 0.00 179.01 177.54 1b9x h ASP 560 N 0.09 0.00 -0.38 1.04 3.45 -2.05 -3.16 116.42 115.41 1b9x h ASP 560 Ca 0.65 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.11 1b9x h ASP 560 Cb 2.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.12 1b9x h ASP 560 CO -0.11 0.81 0.00 0.29 -1.57 0.00 0.00 179.24 178.65 1b9x n LYS 561 N -3.49 2.49 -3.54 3.56 5.02 0.10 -4.83 118.16 117.47 1b9x n LYS 561 Ca -0.00 -1.62 -0.40 0.00 -2.02 0.00 0.00 58.31 54.28 1b9x n LYS 561 Cb 0.80 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 34.12 1b9x n LYS 561 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1b9x s ASN 562 N -0.76 6.06 0.58 4.39 3.84 -1.01 -4.83 114.94 123.20 1b9x s ASN 562 Ca 0.29 -0.30 0.32 0.00 0.21 0.00 0.00 52.86 53.38 1b9x s ASN 562 Cb 0.18 -2.14 1.77 0.00 -0.55 0.00 0.00 41.25 40.52 1b9x s ASN 562 CO 0.15 -0.19 2.20 -0.65 -2.79 0.00 0.00 177.10 175.82 1b9x h PRO 563 N 8.45 0.00 -0.82 0.43 0.11 -1.90 -2.06 132.00 136.22 1b9x h PRO 563 Ca -0.32 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.33 1b9x h PRO 563 Cb 1.17 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.02 1b9x h PRO 563 CO 0.61 0.04 0.43 1.19 -0.21 0.00 0.00 178.00 180.07 1b9x n PHE 564 N -3.61 2.57 -1.02 0.65 3.01 -1.26 -5.01 117.46 112.79 1b9x n PHE 564 Ca -0.02 -2.01 -0.33 0.00 1.01 0.00 0.00 57.45 56.09 1b9x n PHE 564 Cb 0.15 -0.89 0.12 0.00 -0.01 0.00 0.00 39.48 38.85 1b9x n PHE 564 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1b9x n LYS 565 N -1.08 0.03 -1.49 -1.08 4.81 -0.78 -4.73 118.16 113.84 1b9x n LYS 565 Ca 0.53 0.08 -0.43 0.00 -0.87 0.00 0.00 58.31 57.62 1b9x n LYS 565 Cb 1.30 -2.24 -0.09 0.00 0.02 0.00 0.00 35.03 34.03 1b9x n LYS 565 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1b9x n GLU 566 N -2.74 0.64 -1.67 1.64 4.07 -1.26 -4.78 120.64 116.54 1b9x n GLU 566 Ca 0.12 0.08 -0.52 0.00 -0.06 0.00 0.00 57.16 56.77 1b9x n GLU 566 Cb 0.51 -2.41 -0.06 0.00 -0.06 0.00 0.00 31.44 29.43 1b9x n GLU 566 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1b9x n LEU 567 N 12.02 2.56 0.00 4.31 7.94 -1.26 -5.25 117.00 137.31 1b9x n LEU 567 Ca 0.49 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.46 1b9x n LEU 567 Cb 0.25 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 42.95 1b9x n LEU 567 CO 0.81 -0.48 0.00 0.29 -1.11 0.00 0.00 177.39 176.90