#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1coz s LYS 502 N 0.00 3.33 -0.03 2.12 2.20 -1.26 -4.96 119.74 121.14 1coz s LYS 502 Ca 0.00 -0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.18 1coz s LYS 502 Cb 0.00 -4.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 1coz s LYS 502 CO 0.00 -1.49 0.45 0.15 -0.36 0.00 0.00 175.35 174.10 1coz s LYS 503 N 3.96 4.09 0.09 4.03 1.02 -1.26 0.22 119.74 131.89 1coz s LYS 503 Ca 0.30 0.46 0.09 0.00 0.02 0.00 0.00 55.97 56.84 1coz s LYS 503 Cb -0.13 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1coz s LYS 503 CO 0.19 0.51 -0.21 0.08 -0.92 0.00 0.00 175.35 175.00 1coz s VAL 504 N -0.53 2.60 0.05 3.17 1.01 0.67 -0.50 120.40 126.87 1coz s VAL 504 Ca 0.25 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1coz s VAL 504 Cb -0.16 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1coz s VAL 504 CO 0.13 0.21 -0.09 -0.51 0.00 0.00 0.00 175.10 174.84 1coz s ILE 505 N -1.01 0.66 0.00 2.22 2.07 -0.37 -0.91 121.20 123.86 1coz s ILE 505 Ca 0.15 -1.19 -0.16 0.00 -1.41 0.00 0.00 60.65 58.03 1coz s ILE 505 Cb -0.10 -0.78 0.03 0.00 0.13 0.00 0.00 42.46 41.73 1coz s ILE 505 CO 0.07 -0.40 0.35 0.28 -1.91 0.00 0.00 174.94 173.33 1coz s THR 506 N -1.55 0.06 0.11 4.00 -1.32 -0.97 -0.94 115.64 115.03 1coz s THR 506 Ca -0.07 -0.48 0.10 0.00 -1.21 0.00 0.00 61.69 60.03 1coz s THR 506 Cb -0.09 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.10 1coz s THR 506 CO 0.00 -0.26 -0.24 -0.31 -2.21 0.00 0.00 174.62 171.60 1coz s TYR 507 N -1.75 2.08 -1.54 9.09 1.51 -1.26 -0.89 117.35 124.58 1coz s TYR 507 Ca -0.10 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1coz s TYR 507 Cb -0.03 -1.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1coz s TYR 507 CO 0.02 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.13 1coz n GLY 508 N 1.07 -1.52 0.13 0.71 0.00 -0.92 -4.96 105.19 99.70 1coz n GLY 508 Ca -0.19 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 1coz n GLY 508 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1coz n THR 509 N 0.86 1.41 -3.78 2.61 -1.04 -1.26 -2.03 114.28 111.03 1coz n THR 509 Ca 0.00 -0.52 -0.29 0.00 -2.04 0.00 0.00 64.05 61.20 1coz n THR 509 Cb 0.00 -1.41 0.02 0.00 -1.82 0.00 0.00 70.33 67.12 1coz n THR 509 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1coz n PHE 510 N -3.29 -1.81 0.02 -1.42 3.72 -1.26 -4.69 117.46 108.73 1coz n PHE 510 Ca -0.44 0.58 -0.02 0.00 -0.05 0.00 0.00 57.45 57.52 1coz n PHE 510 Cb 0.95 -3.62 -0.01 0.00 -0.94 0.00 0.00 39.48 35.87 1coz n PHE 510 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1coz h ASP 511 N -1.89 -0.10 -3.64 4.37 3.58 -1.95 -3.40 116.42 113.39 1coz h ASP 511 Ca -0.65 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.09 1coz h ASP 511 Cb 1.37 0.03 -0.34 0.00 1.72 0.00 0.00 39.33 42.10 1coz h ASP 511 CO 0.54 0.21 -0.12 -0.76 -2.88 0.00 0.00 179.24 176.23 1coz s LEU 512 N -7.07 5.61 -0.39 2.28 1.43 -1.26 -4.56 118.68 114.72 1coz s LEU 512 Ca -0.02 -3.38 -0.44 0.00 -1.03 0.00 0.00 54.13 49.26 1coz s LEU 512 Cb 0.00 -1.94 -0.18 0.00 0.03 0.00 0.00 46.19 44.11 1coz s LEU 512 CO 0.05 -0.27 1.67 -0.11 0.23 0.00 0.00 176.35 177.91 1coz n LEU 513 N 2.82 1.77 -4.45 1.79 7.94 -1.26 -4.83 117.00 120.78 1coz n LEU 513 Ca 0.17 1.13 -0.23 0.00 -1.11 0.00 0.00 56.01 55.98 1coz n LEU 513 Cb 0.38 -1.01 -0.09 0.00 0.53 0.00 0.00 43.42 43.24 1coz n LEU 513 CO 0.36 -0.65 -0.22 -1.38 -1.11 0.00 0.00 177.39 174.39 1coz s HIS 514 N 3.24 1.78 0.63 1.96 -3.43 -1.26 -5.04 115.29 113.17 1coz s HIS 514 Ca 1.02 -1.22 0.38 0.00 -0.80 0.00 0.00 55.06 54.44 1coz s HIS 514 Cb -1.29 -1.11 2.17 0.00 -1.43 0.00 0.00 32.58 30.91 1coz s HIS 514 CO 0.74 -0.27 2.32 0.11 -2.00 0.00 0.00 174.74 175.64 1coz h TRP 515 N 1.98 0.00 -0.27 0.38 5.08 -1.99 -1.56 115.95 119.57 1coz h TRP 515 Ca -0.36 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.42 1coz h TRP 515 Cb 1.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.42 1coz h TRP 515 CO 1.13 0.00 -0.55 0.78 -1.28 0.00 0.00 178.44 178.52 1coz h GLY 516 N 0.02 0.94 0.97 11.11 0.00 -1.93 -1.97 103.07 112.19 1coz h GLY 516 Ca -0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.18 1coz h GLY 516 CO 0.00 0.99 0.16 0.45 0.00 0.00 0.00 176.54 178.14 1coz h HIS 517 N 0.63 0.78 -0.34 5.60 3.86 -1.70 -2.57 115.15 121.40 1coz h HIS 517 Ca 0.01 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1coz h HIS 517 Cb 1.16 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 1coz h HIS 517 CO 0.08 0.68 0.21 0.82 0.86 0.00 0.00 177.93 180.58 1coz h ILE 518 N 0.66 1.06 -0.26 2.45 1.08 -1.35 -1.58 117.51 119.57 1coz h ILE 518 Ca 0.16 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1coz h ILE 518 Cb 0.26 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1coz h ILE 518 CO -0.01 0.08 0.06 0.11 -0.69 0.00 0.00 178.15 177.71 1coz h LYS 519 N 0.44 0.37 0.00 2.37 1.79 -1.30 0.67 116.57 120.92 1coz h LYS 519 Ca 0.13 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1coz h LYS 519 Cb -0.03 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1coz h LYS 519 CO -0.04 0.35 -0.00 1.25 -1.08 0.00 0.00 179.45 179.92 1coz h LEU 520 N 0.37 -0.01 -1.38 2.94 7.12 -1.14 -1.96 115.31 121.26 1coz h LEU 520 Ca 0.09 -0.47 0.01 0.00 0.13 0.00 0.00 57.88 57.64 1coz h LEU 520 Cb 0.15 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.25 1coz h LEU 520 CO -0.00 0.47 0.42 -0.07 -0.13 0.00 0.00 178.44 179.13 1coz h LEU 521 N -0.48 0.73 0.14 2.25 3.38 -0.89 0.93 115.31 121.36 1coz h LEU 521 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1coz h LEU 521 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1coz h LEU 521 CO 0.00 0.52 -0.07 -0.08 0.09 0.00 0.00 178.44 178.91 1coz h GLU 522 N 0.86 -0.18 -0.45 1.13 4.81 -0.82 -1.84 114.58 118.09 1coz h GLU 522 Ca 0.24 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1coz h GLU 522 Cb -0.08 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1coz h GLU 522 CO -0.05 0.05 -0.07 0.00 -0.73 0.00 0.00 179.01 178.21 1coz h ARG 523 N -0.40 0.79 -0.41 1.92 3.08 -0.93 -2.48 114.38 115.95 1coz h ARG 523 Ca -0.02 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1coz h ARG 523 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1coz h ARG 523 CO 0.03 0.84 0.07 0.00 -1.07 0.00 0.00 179.97 179.84 1coz h ALA 524 N 1.19 0.55 -0.67 0.04 0.00 -0.80 -2.94 119.26 116.63 1coz h ALA 524 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1coz h ALA 524 Cb 0.54 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1coz h ALA 524 CO 0.03 0.26 0.31 -0.22 0.00 0.00 0.00 179.25 179.64 1coz h LYS 525 N 0.54 0.95 0.00 0.00 1.63 -1.24 -2.06 116.57 116.38 1coz h LYS 525 Ca 0.13 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1coz h LYS 525 Cb 0.38 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1coz h LYS 525 CO 0.01 0.74 0.00 0.00 -3.45 0.00 0.00 179.45 176.75 1coz n GLN 526 N -4.34 0.48 0.00 1.90 10.64 -0.94 -1.68 117.38 123.43 1coz n GLN 526 Ca 0.06 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.35 1coz n GLN 526 Cb 0.14 -1.49 0.20 0.00 -0.86 0.00 0.00 30.24 28.23 1coz n GLN 526 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1coz n LEU 527 N -0.99 2.25 0.00 2.61 4.32 -0.78 -5.00 117.00 119.41 1coz n LEU 527 Ca 0.11 -0.76 0.00 0.00 -0.02 0.00 0.00 56.01 55.34 1coz n LEU 527 Cb 0.05 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1coz n LEU 527 CO 0.08 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 1coz n GLY 528 N 1.32 3.26 0.00 -0.72 0.00 -0.68 -4.95 105.19 103.42 1coz n GLY 528 Ca 0.14 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1coz n GLY 528 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1coz n ASP 529 N 0.00 2.40 -3.72 1.61 8.00 0.13 -4.96 116.55 120.01 1coz n ASP 529 Ca 0.00 -0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.12 1coz n ASP 529 Cb 0.00 1.11 -0.13 0.00 -0.02 0.00 0.00 41.12 42.08 1coz n ASP 529 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1coz s TYR 530 N -1.90 -0.35 -0.19 1.24 6.14 -1.06 -4.98 117.35 116.25 1coz s TYR 530 Ca -0.00 0.82 -0.02 0.00 0.64 0.00 0.00 57.07 58.51 1coz s TYR 530 Cb 0.03 0.05 -0.00 0.00 0.42 0.00 0.00 41.96 42.46 1coz s TYR 530 CO 0.17 -0.25 -0.10 -1.17 0.64 0.00 0.00 175.55 174.84 1coz s LEU 531 N 1.34 2.66 -0.15 6.97 2.96 -1.26 -0.24 118.68 130.96 1coz s LEU 531 Ca -0.09 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1coz s LEU 531 Cb -0.10 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1coz s LEU 531 CO -0.09 0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.25 1coz s VAL 532 N 1.18 4.01 -0.20 1.68 1.01 -0.09 -0.94 120.40 127.05 1coz s VAL 532 Ca 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1coz s VAL 532 Cb -0.14 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1coz s VAL 532 CO -0.04 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 1coz s VAL 533 N 0.22 2.72 -0.25 2.92 1.01 0.12 -2.29 120.40 124.85 1coz s VAL 533 Ca -0.02 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1coz s VAL 533 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1coz s VAL 533 CO 0.03 0.48 0.29 0.00 0.00 0.00 0.00 175.10 175.90 1coz s ALA 534 N 1.32 3.57 -0.01 5.51 0.00 -0.07 -0.92 121.76 131.14 1coz s ALA 534 Ca 0.04 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1coz s ALA 534 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 1coz s ALA 534 CO -0.07 -0.47 -0.20 0.96 0.00 0.00 0.00 175.76 175.98 1coz s ILE 535 N 1.64 2.58 0.13 0.00 -4.36 -0.44 -2.16 121.20 118.58 1coz s ILE 535 Ca 0.12 -1.00 -0.34 0.00 -0.26 0.00 0.00 60.65 59.16 1coz s ILE 535 Cb -0.15 -1.99 -0.14 0.00 1.25 0.00 0.00 42.46 41.43 1coz s ILE 535 CO 0.09 0.52 1.55 -1.20 0.24 0.00 0.00 174.94 176.13 1coz n SER 536 N 2.16 2.82 -4.81 4.36 7.64 -0.86 -0.62 113.62 124.31 1coz n SER 536 Ca -0.17 1.08 -0.29 0.00 1.01 0.00 0.00 58.87 60.51 1coz n SER 536 Cb 0.52 -1.37 0.12 0.00 -1.01 0.00 0.00 64.21 62.46 1coz n SER 536 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1coz s THR 537 N 1.01 2.17 0.22 0.44 -4.23 -0.85 -4.81 115.64 109.59 1coz s THR 537 Ca 0.81 0.06 0.14 0.00 -1.18 0.00 0.00 61.69 61.52 1coz s THR 537 Cb -0.74 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 70.31 1coz s THR 537 CO 0.41 -0.07 1.67 0.44 -0.54 0.00 0.00 174.62 176.53 1coz h ASP 538 N -1.36 0.00 -0.15 3.99 3.32 -1.94 -1.29 116.42 119.00 1coz h ASP 538 Ca -0.49 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.40 1coz h ASP 538 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1coz h ASP 538 CO 0.62 0.50 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.83 1coz h GLU 539 N 0.00 0.72 -0.23 3.56 3.07 -1.96 -2.19 114.58 117.56 1coz h GLU 539 Ca -0.00 -0.42 -0.15 0.00 -0.50 0.00 0.00 59.36 58.29 1coz h GLU 539 Cb 1.00 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1coz h GLU 539 CO 0.06 1.04 -0.44 0.35 -1.40 0.00 0.00 179.01 178.62 1coz h PHE 540 N 0.57 0.88 -0.89 4.33 3.57 -1.76 -2.27 116.94 121.36 1coz h PHE 540 Ca 0.03 -0.32 0.06 0.00 3.53 0.00 0.00 57.97 61.27 1coz h PHE 540 Cb 1.04 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1coz h PHE 540 CO 0.05 1.10 0.56 -0.91 -2.23 0.00 0.00 178.31 176.88 1coz h ASN 541 N 0.41 0.89 -0.83 0.41 -0.26 -1.17 -0.51 115.58 114.52 1coz h ASN 541 Ca 0.01 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1coz h ASN 541 Cb 1.05 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 38.09 1coz h ASN 541 CO 0.10 0.57 0.55 0.25 -1.06 0.00 0.00 177.43 177.84 1coz h LEU 542 N 1.03 0.96 -1.36 1.61 6.46 -1.23 0.17 115.31 122.94 1coz h LEU 542 Ca 0.38 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.07 1coz h LEU 542 Cb 0.15 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 1coz h LEU 542 CO -0.17 0.70 -0.01 1.56 -0.62 0.00 0.00 178.44 179.90 1coz h GLN 543 N 1.13 0.40 -0.05 1.25 4.20 -0.65 -0.52 115.11 120.87 1coz h GLN 543 Ca 0.30 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1coz h GLN 543 Cb -0.12 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1coz h GLN 543 CO -0.06 0.44 0.00 1.63 -0.67 0.00 0.00 178.83 180.17 1coz n LYS 544 N -4.31 1.51 -4.00 1.46 5.02 -0.31 -4.91 118.16 112.62 1coz n LYS 544 Ca 0.01 -0.75 -0.30 0.00 -2.02 0.00 0.00 58.31 55.24 1coz n LYS 544 Cb 0.22 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1coz n LYS 544 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1coz n GLN 545 N -0.07 -4.24 -3.59 1.97 6.02 0.46 -4.92 117.38 113.01 1coz n GLN 545 Ca 0.19 0.49 -0.28 0.00 -0.01 0.00 0.00 57.00 57.39 1coz n GLN 545 Cb 0.28 -5.13 -0.11 0.00 1.02 0.00 0.00 30.24 26.30 1coz n GLN 545 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1coz s LYS 546 N -6.63 1.38 0.03 -1.09 2.47 -0.35 -5.02 119.74 110.53 1coz s LYS 546 Ca 0.47 -2.40 -0.30 0.00 -1.56 0.00 0.00 55.97 52.18 1coz s LYS 546 Cb -0.25 -2.11 -0.05 0.00 -1.46 0.00 0.00 37.83 33.96 1coz s LYS 546 CO 0.87 -1.32 1.19 0.21 0.16 0.00 0.00 175.35 176.46 1coz s LYS 547 N -0.27 4.42 0.15 4.03 2.36 -1.26 -4.58 119.74 124.59 1coz s LYS 547 Ca 0.28 1.73 -0.18 0.00 -2.55 0.00 0.00 55.97 55.24 1coz s LYS 547 Cb -0.04 -3.40 -0.07 0.00 -1.05 0.00 0.00 37.83 33.27 1coz s LYS 547 CO -0.15 -0.28 0.63 0.00 1.55 0.00 0.00 175.35 177.10 1coz s ALA 548 N 1.29 3.52 0.05 3.13 0.00 -1.26 -5.01 121.76 123.49 1coz s ALA 548 Ca 0.58 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 1coz s ALA 548 Cb -0.28 -2.68 -0.17 0.00 0.00 0.00 0.00 23.12 19.99 1coz s ALA 548 CO 0.28 0.39 1.54 -0.92 0.00 0.00 0.00 175.76 177.04 1coz h TYR 549 N 3.90 -0.08 -3.28 0.00 3.20 -1.96 -3.42 116.97 115.32 1coz h TYR 549 Ca -0.49 -0.00 -0.57 0.00 3.14 0.00 0.00 58.73 60.82 1coz h TYR 549 Cb 1.20 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 1coz h TYR 549 CO 0.66 0.12 -0.04 -1.01 -1.64 0.00 0.00 178.16 176.24 1coz s HIS 550 N -5.43 3.74 1.01 -3.82 3.76 -1.26 -5.07 115.29 108.22 1coz s HIS 550 Ca -0.14 1.22 -0.12 0.00 -0.15 0.00 0.00 55.06 55.87 1coz s HIS 550 Cb 0.04 -2.47 0.19 0.00 1.11 0.00 0.00 32.58 31.46 1coz s HIS 550 CO 0.65 0.53 1.08 -1.54 -0.85 0.00 0.00 174.74 174.61 1coz s SER 551 N -1.31 2.37 0.16 1.40 1.04 -1.26 -4.70 113.70 111.40 1coz s SER 551 Ca 0.32 1.62 -0.15 0.00 0.48 0.00 0.00 55.95 58.22 1coz s SER 551 Cb -0.18 -2.28 0.06 0.00 0.10 0.00 0.00 66.02 63.72 1coz s SER 551 CO 0.19 -3.35 1.80 0.22 0.98 0.00 0.00 173.24 173.08 1coz h TYR 552 N -2.04 0.48 -0.78 5.02 3.20 -1.94 0.52 116.97 121.44 1coz h TYR 552 Ca -0.53 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.37 1coz h TYR 552 Cb 1.30 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 1coz h TYR 552 CO 0.37 0.28 0.51 0.93 -1.64 0.00 0.00 178.16 178.61 1coz h GLU 553 N 0.52 0.98 0.04 1.82 4.39 -1.97 -0.67 114.58 119.69 1coz h GLU 553 Ca 0.18 -0.06 -0.23 0.00 0.34 0.00 0.00 59.36 59.58 1coz h GLU 553 Cb 0.02 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1coz h GLU 553 CO -0.08 0.65 -1.10 0.45 -1.16 0.00 0.00 179.01 177.77 1coz h HIS 554 N 1.01 0.15 -0.50 4.33 3.86 -1.79 -2.20 115.15 120.01 1coz h HIS 554 Ca 0.29 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 59.27 1coz h HIS 554 Cb -0.06 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1coz h HIS 554 CO -0.00 1.09 -0.17 0.00 0.86 0.00 0.00 177.93 179.71 1coz h ARG 555 N 0.02 1.00 -0.06 2.45 3.08 -0.58 -2.21 114.38 118.07 1coz h ARG 555 Ca -0.06 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 1coz h ARG 555 Cb 1.84 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.84 1coz h ARG 555 CO 0.15 1.08 0.00 -0.22 -1.07 0.00 0.00 179.97 179.91 1coz h LYS 556 N 0.87 0.10 -0.48 0.04 3.64 -1.18 -1.76 116.57 117.81 1coz h LYS 556 Ca 0.12 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.56 1coz h LYS 556 Cb 0.74 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 1coz h LYS 556 CO 0.06 0.36 0.02 1.25 -2.27 0.00 0.00 179.45 178.87 1coz h LEU 557 N -0.16 -0.16 -0.46 5.20 6.46 -1.35 0.03 115.31 124.87 1coz h LEU 557 Ca 0.02 0.11 -0.15 0.00 -0.12 0.00 0.00 57.88 57.74 1coz h LEU 557 Cb 0.31 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1coz h LEU 557 CO 0.00 -0.05 -0.33 0.40 -0.62 0.00 0.00 178.44 177.84 1coz h ILE 558 N 0.14 1.27 -0.37 4.05 2.04 -1.40 -3.15 117.51 120.09 1coz h ILE 558 Ca 0.24 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 1coz h ILE 558 Cb 0.36 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1coz h ILE 558 CO -0.38 0.50 0.01 -0.07 0.00 0.00 0.00 178.15 178.21 1coz h LEU 559 N 0.77 0.55 -0.63 1.44 3.38 -0.68 -2.52 115.31 117.62 1coz h LEU 559 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1coz h LEU 559 Cb 0.91 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1coz h LEU 559 CO 0.08 0.61 0.00 -0.62 0.09 0.00 0.00 178.44 178.61 1coz n GLU 560 N -4.27 0.12 0.00 1.13 1.02 -0.06 -2.07 120.64 116.51 1coz n GLU 560 Ca 0.02 0.44 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 1coz n GLU 560 Cb 0.25 -1.77 0.08 0.00 -0.02 0.00 0.00 31.44 29.98 1coz n GLU 560 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1coz n THR 561 N -2.00 0.00 -2.42 2.62 -2.24 -0.95 -4.89 114.28 104.40 1coz n THR 561 Ca 0.01 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1coz n THR 561 Cb 0.15 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1coz n THR 561 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1coz s ILE 562 N -2.89 3.91 0.33 2.28 -1.09 -0.88 -4.92 121.20 117.94 1coz s ILE 562 Ca 0.12 1.44 0.08 0.00 -2.23 0.00 0.00 60.65 60.06 1coz s ILE 562 Cb 0.17 -3.92 0.32 0.00 -1.58 0.00 0.00 42.46 37.45 1coz s ILE 562 CO 0.74 0.15 1.80 0.03 -1.23 0.00 0.00 174.94 176.43 1coz h ARG 563 N 6.28 0.69 0.00 2.79 3.08 -1.90 -2.31 114.38 123.01 1coz h ARG 563 Ca -0.43 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 1coz h ARG 563 Cb 1.21 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1coz h ARG 563 CO 0.79 0.46 -0.16 1.88 -1.07 0.00 0.00 179.97 181.86 1coz h TYR 564 N 0.71 0.00 -3.42 3.04 0.05 -1.91 -3.44 116.97 112.00 1coz h TYR 564 Ca 0.55 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.74 1coz h TYR 564 Cb 0.92 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.57 1coz h TYR 564 CO -0.00 0.16 0.07 0.08 -1.05 0.00 0.00 178.16 177.41 1coz s VAL 565 N -3.71 5.05 -0.16 -2.88 1.01 -0.87 -4.47 120.40 114.38 1coz s VAL 565 Ca 0.00 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.19 1coz s VAL 565 Cb 0.10 -3.92 -0.23 0.00 0.00 0.00 0.00 36.38 32.33 1coz s VAL 565 CO 0.61 0.15 0.21 0.47 0.00 0.00 0.00 175.10 176.54 1coz n ASP 566 N 4.81 1.22 -3.66 3.32 8.00 -0.12 -4.85 116.55 125.28 1coz n ASP 566 Ca -0.02 0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 1coz n ASP 566 Cb 0.50 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 1coz n ASP 566 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1coz s GLU 567 N -2.54 0.80 -0.09 -1.24 2.12 -0.91 -5.00 118.70 111.84 1coz s GLU 567 Ca -0.18 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.38 1coz s GLU 567 Cb 0.07 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.85 1coz s GLU 567 CO 0.76 -0.21 -0.15 0.08 -0.54 0.00 0.00 175.26 175.19 1coz s VAL 568 N -0.88 1.43 0.25 3.70 1.01 -1.26 -0.71 120.40 123.95 1coz s VAL 568 Ca -0.09 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1coz s VAL 568 Cb -0.03 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1coz s VAL 568 CO 0.05 0.42 -0.14 0.27 0.00 0.00 0.00 175.10 175.71 1coz s ILE 569 N 0.80 1.96 0.21 2.22 -4.36 -0.10 -4.95 121.20 116.99 1coz s ILE 569 Ca -0.11 -2.25 -0.28 0.00 -0.26 0.00 0.00 60.65 57.75 1coz s ILE 569 Cb -0.16 -2.24 -0.09 0.00 1.25 0.00 0.00 42.46 41.23 1coz s ILE 569 CO 0.02 -0.46 0.88 -2.16 0.24 0.00 0.00 174.94 173.46 1coz s PRO 570 N -3.62 4.73 -0.36 0.37 0.04 -1.26 -1.33 135.00 133.57 1coz s PRO 570 Ca 0.27 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.56 1coz s PRO 570 Cb -0.01 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1coz s PRO 570 CO 0.11 0.53 0.18 -2.00 0.04 0.00 0.00 177.00 175.86 1coz s GLU 571 N -1.21 2.86 -0.05 4.56 2.12 0.21 -4.72 118.70 122.47 1coz s GLU 571 Ca 0.39 -1.05 0.20 0.00 0.36 0.00 0.00 54.97 54.87 1coz s GLU 571 Cb -0.25 -3.65 -0.30 0.00 0.26 0.00 0.00 34.13 30.19 1coz s GLU 571 CO 0.29 -0.65 0.40 1.63 -0.54 0.00 0.00 175.26 176.39 1coz n LYS 572 N 4.96 0.65 -3.86 4.30 5.02 -1.26 -2.01 118.16 125.97 1coz n LYS 572 Ca -0.12 -0.16 -0.08 0.00 -2.02 0.00 0.00 58.31 55.93 1coz n LYS 572 Cb 0.46 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1coz n LYS 572 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1coz s ASN 573 N -4.46 -0.19 0.19 4.39 2.20 -1.26 -4.60 114.94 111.22 1coz s ASN 573 Ca -0.08 -0.74 -0.02 0.00 -0.94 0.00 0.00 52.86 51.08 1coz s ASN 573 Cb 0.12 0.75 0.12 0.00 -2.00 0.00 0.00 41.25 40.24 1coz s ASN 573 CO 0.83 -1.42 1.49 -0.50 -2.94 0.00 0.00 177.10 174.57 1coz h TRP 574 N 2.01 0.61 0.00 1.54 4.06 -2.00 -3.33 115.95 118.84 1coz h TRP 574 Ca -0.22 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1coz h TRP 574 Cb 1.25 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1coz h TRP 574 CO 0.64 0.96 0.00 0.93 -3.56 0.00 0.00 178.44 177.41 1coz h GLU 575 N 0.36 0.00 0.00 0.49 4.39 -2.05 -3.36 114.58 114.41 1coz h GLU 575 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1coz h GLU 575 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1coz h GLU 575 CO 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.96 1coz n GLN 576 N -2.77 0.11 -0.17 2.33 10.64 -1.25 -4.17 117.38 122.09 1coz n GLN 576 Ca 0.03 0.46 -0.01 0.00 -1.83 0.00 0.00 57.00 55.64 1coz n GLN 576 Cb 0.38 -1.76 0.06 0.00 -0.86 0.00 0.00 30.24 28.06 1coz n GLN 576 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1coz h LYS 577 N 0.00 0.08 -0.72 2.61 1.57 -1.87 -1.77 116.57 116.48 1coz h LYS 577 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1coz h LYS 577 Cb 0.18 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1coz h LYS 577 CO 0.00 0.05 0.33 -0.22 -0.57 0.00 0.00 179.45 179.05 1coz h LYS 578 N 0.08 1.04 -0.04 3.15 3.64 -1.94 -2.37 116.57 120.14 1coz h LYS 578 Ca 0.27 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1coz h LYS 578 Cb 0.42 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1coz h LYS 578 CO -0.48 0.82 -0.51 0.37 -2.27 0.00 0.00 179.45 177.38 1coz h GLN 579 N 1.00 0.10 -0.40 1.90 5.75 -1.79 -2.82 115.11 118.86 1coz h GLN 579 Ca 0.24 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1coz h GLN 579 Cb 0.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1coz h GLN 579 CO -0.03 0.59 0.09 -0.44 -2.65 0.00 0.00 178.83 176.39 1coz h ASP 580 N 0.08 0.61 -0.87 -0.69 3.32 -1.04 0.42 116.42 118.25 1coz h ASP 580 Ca -0.00 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 56.86 1coz h ASP 580 Cb 0.94 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 1coz h ASP 580 CO 0.07 0.70 0.57 0.40 -1.72 0.00 0.00 179.24 179.26 1coz h ILE 581 N 0.50 1.11 0.05 0.35 5.03 -1.29 -0.18 117.51 123.08 1coz h ILE 581 Ca 0.12 -0.36 -0.00 0.00 -0.12 0.00 0.00 64.86 64.50 1coz h ILE 581 Cb 0.33 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.10 1coz h ILE 581 CO 0.00 0.19 -0.02 0.40 -0.68 0.00 0.00 178.15 178.04 1coz h ILE 582 N 1.04 1.24 -0.79 -0.67 2.04 -1.24 -1.18 117.51 117.95 1coz h ILE 582 Ca 0.36 -1.63 0.10 0.00 1.00 0.00 0.00 64.86 64.68 1coz h ILE 582 Cb 0.10 2.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1coz h ILE 582 CO -0.12 0.37 0.43 0.44 0.00 0.00 0.00 178.15 179.28 1coz h ASP 583 N -0.87 0.59 -0.25 1.72 3.32 -0.04 -2.75 116.42 118.14 1coz h ASP 583 Ca -0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1coz h ASP 583 Cb 0.66 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1coz h ASP 583 CO 0.01 0.33 0.00 1.41 -1.72 0.00 0.00 179.24 179.27 1coz n HIS 584 N -4.79 0.31 -3.70 4.55 8.25 -0.09 -4.98 115.22 114.77 1coz n HIS 584 Ca 0.13 -0.15 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1coz n HIS 584 Cb 0.30 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.43 1coz n HIS 584 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1coz n ASN 585 N 1.17 -3.19 -4.73 0.41 3.02 -0.94 -4.92 115.26 106.08 1coz n ASN 585 Ca 0.18 -0.93 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 1coz n ASN 585 Cb 0.54 -3.67 -0.04 0.00 -0.61 0.00 0.00 39.78 36.01 1coz n ASN 585 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1coz s ILE 586 N -3.62 4.06 -0.16 2.41 -1.09 -0.49 -4.55 121.20 117.77 1coz s ILE 586 Ca 0.24 1.63 0.17 0.00 -2.23 0.00 0.00 60.65 60.46 1coz s ILE 586 Cb -0.08 -4.04 -0.24 0.00 -1.58 0.00 0.00 42.46 36.52 1coz s ILE 586 CO 0.84 0.21 0.11 0.47 -1.23 0.00 0.00 174.94 175.34 1coz n ASP 587 N 3.09 0.44 -3.94 3.58 8.00 0.35 -4.73 116.55 123.33 1coz n ASP 587 Ca 0.05 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.35 1coz n ASP 587 Cb 0.47 1.08 -0.16 0.00 -0.02 0.00 0.00 41.12 42.49 1coz n ASP 587 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1coz s VAL 588 N -2.57 0.64 -0.20 2.53 1.01 -0.33 -1.17 120.40 120.32 1coz s VAL 588 Ca -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1coz s VAL 588 Cb 0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1coz s VAL 588 CO 0.77 0.23 -0.09 0.12 0.00 0.00 0.00 175.10 176.12 1coz s PHE 589 N 0.56 2.89 -0.06 5.22 2.19 0.88 -1.24 117.98 128.42 1coz s PHE 589 Ca -0.08 -1.05 0.06 0.00 0.33 0.00 0.00 56.93 56.19 1coz s PHE 589 Cb -0.12 -2.02 -0.01 0.00 -1.31 0.00 0.00 43.02 39.56 1coz s PHE 589 CO 0.01 -0.55 -0.25 0.08 1.83 0.00 0.00 175.22 176.33 1coz s VAL 590 N 1.25 2.06 0.08 3.12 1.01 -0.11 -0.40 120.40 127.41 1coz s VAL 590 Ca 0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1coz s VAL 590 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1coz s VAL 590 CO -0.04 0.57 0.03 -0.04 0.00 0.00 0.00 175.10 175.62 1coz s MET 591 N -0.10 0.76 0.61 2.72 -1.94 -0.61 -4.25 119.30 116.49 1coz s MET 591 Ca -0.06 -1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 52.49 1coz s MET 591 Cb -0.14 0.24 -0.03 0.00 2.01 0.00 0.00 34.83 36.91 1coz s MET 591 CO 0.04 -0.19 1.10 0.20 -0.01 0.00 0.00 175.02 176.17 1coz s GLY 592 N -2.96 2.29 0.00 -0.03 0.00 -1.26 -0.69 107.32 104.67 1coz s GLY 592 Ca 0.13 0.59 0.10 0.00 0.00 0.00 0.00 44.72 45.54 1coz s GLY 592 CO -0.06 0.94 1.11 2.09 0.00 0.00 0.00 173.10 177.19 1coz n ASP 593 N -1.99 0.00 0.00 1.64 5.75 0.55 -1.78 116.55 120.72 1coz n ASP 593 Ca 0.10 -0.11 0.13 0.00 -0.01 0.00 0.00 54.79 54.90 1coz n ASP 593 Cb 0.52 -0.13 0.70 0.00 -1.03 0.00 0.00 41.12 41.18 1coz n ASP 593 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1coz n ASP 594 N -1.13 0.00 -0.49 -1.12 5.75 -1.26 -2.25 116.55 116.05 1coz n ASP 594 Ca 0.06 -0.35 0.05 0.00 -0.01 0.00 0.00 54.79 54.55 1coz n ASP 594 Cb 0.05 -0.18 0.08 0.00 -1.03 0.00 0.00 41.12 40.04 1coz n ASP 594 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1coz n TRP 595 N -1.18 0.18 -1.31 2.11 7.02 -0.73 -5.04 117.44 118.49 1coz n TRP 595 Ca 0.15 -0.21 -0.60 0.00 -1.02 0.00 0.00 57.50 55.82 1coz n TRP 595 Cb 0.16 -0.01 -0.11 0.00 -2.42 0.00 0.00 31.31 28.93 1coz n TRP 595 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1coz n GLU 596 N 0.52 0.00 0.00 -0.99 4.07 -0.95 -0.87 120.64 122.42 1coz n GLU 596 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1coz n GLU 596 Cb 0.32 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 1coz n GLU 596 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1coz n GLY 597 N 6.80 2.80 0.26 8.31 0.00 -1.26 -4.93 105.19 117.16 1coz n GLY 597 Ca 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.46 1coz n GLY 597 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1coz h LYS 598 N 2.67 0.69 -0.44 1.61 3.64 -1.41 -3.19 116.57 120.14 1coz h LYS 598 Ca 0.00 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.01 1coz h LYS 598 Cb 0.00 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1coz h LYS 598 CO 0.00 0.86 0.07 1.19 -2.27 0.00 0.00 179.45 179.30 1coz n PHE 599 N -4.11 1.51 0.27 1.91 3.72 -1.26 -4.58 117.46 114.92 1coz n PHE 599 Ca -0.00 -1.10 0.10 0.00 -0.05 0.00 0.00 57.45 56.40 1coz n PHE 599 Cb 0.43 -0.47 0.45 0.00 -0.94 0.00 0.00 39.48 38.94 1coz n PHE 599 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1coz n ASP 600 N -0.44 0.48 0.05 4.37 9.92 -1.21 -1.72 116.55 128.00 1coz n ASP 600 Ca 0.30 0.67 0.10 0.00 -0.53 0.00 0.00 54.79 55.32 1coz n ASP 600 Cb 1.09 -0.75 0.42 0.00 -0.64 0.00 0.00 41.12 41.24 1coz n ASP 600 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1coz n PHE 601 N -2.08 0.34 1.34 1.24 -1.74 -1.26 -2.42 117.46 112.89 1coz n PHE 601 Ca 0.01 0.12 0.13 0.00 -0.56 0.00 0.00 57.45 57.16 1coz n PHE 601 Cb 0.12 -0.70 0.47 0.00 1.52 0.00 0.00 39.48 40.89 1coz n PHE 601 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1coz n LEU 602 N -1.80 0.95 0.15 5.98 4.77 -0.70 -4.29 117.00 122.06 1coz n LEU 602 Ca 0.04 -0.23 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1coz n LEU 602 Cb 0.23 -0.11 0.55 0.00 -2.33 0.00 0.00 43.42 41.76 1coz n LEU 602 CO 0.19 0.17 0.85 0.29 -1.33 0.00 0.00 177.39 177.56 1coz n LYS 603 N -0.59 0.17 0.00 3.23 5.02 -1.01 -1.02 118.16 123.96 1coz n LYS 603 Ca 0.14 0.54 0.14 0.00 -2.02 0.00 0.00 58.31 57.11 1coz n LYS 603 Cb 0.33 -1.93 0.59 0.00 -0.02 0.00 0.00 35.03 34.00 1coz n LYS 603 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1coz n ASP 604 N -2.28 0.40 -0.02 4.39 5.75 -1.26 -4.04 116.55 119.49 1coz n ASP 604 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 1coz n ASP 604 Cb 0.14 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 1coz n ASP 604 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1coz n GLN 605 N -1.08 1.44 -3.82 0.11 6.02 -0.19 -5.10 117.38 114.77 1coz n GLN 605 Ca 0.13 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 57.04 1coz n GLN 605 Cb 0.29 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.39 1coz n GLN 605 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1coz s GLU 607 N -2.71 4.62 -0.20 0.00 2.02 -0.32 -4.18 118.70 117.93 1coz s GLU 607 Ca 0.17 1.27 -0.04 0.00 0.02 0.00 0.00 54.97 56.39 1coz s GLU 607 Cb -0.02 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 1coz s GLU 607 CO 0.05 0.31 -0.03 0.08 0.02 0.00 0.00 175.26 175.69 1coz s VAL 608 N -0.26 3.66 -0.07 2.63 1.01 -1.26 -0.08 120.40 126.02 1coz s VAL 608 Ca 0.42 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1coz s VAL 608 Cb -0.22 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1coz s VAL 608 CO 0.27 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.98 1coz s VAL 609 N 1.07 1.26 -0.28 2.92 1.01 0.47 -4.96 120.40 121.89 1coz s VAL 609 Ca 0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1coz s VAL 609 Cb -0.15 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1coz s VAL 609 CO 0.01 0.38 0.08 -0.31 0.00 0.00 0.00 175.10 175.25 1coz s TYR 610 N 0.59 3.11 -0.13 5.22 2.02 -1.26 -1.58 117.35 125.33 1coz s TYR 610 Ca -0.15 -0.74 -0.08 0.00 -0.37 0.00 0.00 57.07 55.74 1coz s TYR 610 Cb -0.16 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 1coz s TYR 610 CO 0.04 -0.49 0.14 -0.51 -1.57 0.00 0.00 175.55 173.17 1coz s LEU 611 N 1.55 4.36 0.27 -1.29 1.43 0.13 -4.65 118.68 120.49 1coz s LEU 611 Ca 0.04 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 1coz s LEU 611 Cb -0.16 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 1coz s LEU 611 CO 0.03 0.37 1.39 -2.16 0.23 0.00 0.00 176.35 176.21 1coz s PRO 612 N -0.82 4.30 0.82 1.29 0.04 -1.26 -0.33 135.00 139.04 1coz s PRO 612 Ca 0.14 2.27 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 1coz s PRO 612 Cb -0.12 -3.10 0.09 0.00 0.04 0.00 0.00 34.50 31.41 1coz s PRO 612 CO 0.03 -0.34 1.10 1.03 0.04 0.00 0.00 177.00 178.86 1coz s ARG 613 N -0.84 1.82 -0.17 4.56 0.52 -1.26 -4.88 118.95 118.70 1coz s ARG 613 Ca 0.56 1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 56.75 1coz s ARG 613 Cb -0.41 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 1coz s ARG 613 CO 0.47 -1.97 0.81 0.99 0.02 0.00 0.00 175.30 175.61 1coz s THR 614 N -2.84 4.90 0.53 0.02 2.01 -1.26 -5.03 115.64 113.97 1coz s THR 614 Ca 0.63 1.58 -0.20 0.00 0.31 0.00 0.00 61.69 64.01 1coz s THR 614 Cb -0.19 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.15 1coz s THR 614 CO 0.57 0.04 1.13 -1.61 -0.69 0.00 0.00 174.62 174.05 1coz s GLU 615 N 2.12 3.43 -0.20 4.92 0.41 -1.26 -4.00 118.70 124.13 1coz s GLU 615 Ca 0.37 1.63 0.00 0.00 -0.41 0.00 0.00 54.97 56.56 1coz s GLU 615 Cb -0.16 -2.07 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 1coz s GLU 615 CO 0.12 -0.79 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 1coz n GLY 616 N 0.19 0.53 3.45 -1.39 0.00 -1.26 -5.02 105.19 101.69 1coz n GLY 616 Ca 0.11 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1coz n GLY 616 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1coz s ILE 617 N -1.94 -0.01 0.09 -0.61 1.10 -1.26 -5.11 121.20 113.47 1coz s ILE 617 Ca 0.00 0.02 -0.26 0.00 -0.51 0.00 0.00 60.65 59.90 1coz s ILE 617 Cb 0.00 -0.78 0.08 0.00 0.15 0.00 0.00 42.46 41.91 1coz s ILE 617 CO 0.00 0.01 0.81 -0.94 -2.11 0.00 0.00 174.94 172.71 1coz s SER 618 N 0.75 -0.38 0.28 4.50 1.04 -1.26 -4.88 113.70 113.76 1coz s SER 618 Ca -0.04 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1coz s SER 618 Cb -0.05 0.49 0.41 0.00 0.10 0.00 0.00 66.02 66.97 1coz s SER 618 CO -0.06 -0.83 1.78 0.74 0.98 0.00 0.00 173.24 175.85 1coz h THR 619 N 2.00 1.24 -0.31 2.02 2.02 -2.00 -2.79 112.91 115.09 1coz h THR 619 Ca -0.25 -1.01 -0.16 0.00 0.77 0.00 0.00 66.41 65.75 1coz h THR 619 Cb 1.26 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1coz h THR 619 CO 0.31 0.35 -0.46 0.71 0.37 0.00 0.00 175.52 176.80 1coz h THR 620 N 0.62 1.28 -0.97 3.16 1.35 -1.99 -2.42 112.91 113.95 1coz h THR 620 Ca 0.12 -1.65 0.01 0.00 -0.55 0.00 0.00 66.41 64.34 1coz h THR 620 Cb 0.47 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 68.38 1coz h THR 620 CO 0.02 0.54 0.62 0.50 -0.25 0.00 0.00 175.52 176.95 1coz h LYS 621 N 0.64 1.28 -0.06 4.72 3.64 -1.95 0.38 116.57 125.22 1coz h LYS 621 Ca 0.04 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1coz h LYS 621 Cb 1.04 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1coz h LYS 621 CO 0.10 0.86 0.04 0.82 -2.27 0.00 0.00 179.45 179.00 1coz h ILE 622 N 1.32 1.03 -0.56 2.00 2.04 -1.35 0.24 117.51 122.23 1coz h ILE 622 Ca 0.35 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 1coz h ILE 622 Cb -0.13 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1coz h ILE 622 CO -0.07 0.03 0.19 0.11 0.00 0.00 0.00 178.15 178.41 1coz h LYS 623 N 0.05 0.84 -0.17 2.37 1.57 -0.84 -2.63 116.57 117.76 1coz h LYS 623 Ca 0.02 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.49 1coz h LYS 623 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1coz h LYS 623 CO -0.00 0.71 -0.58 0.93 -0.57 0.00 0.00 179.45 179.94 1coz h GLU 624 N 0.82 0.54 -0.23 3.15 5.08 0.07 -2.86 114.58 121.13 1coz h GLU 624 Ca 0.19 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1coz h GLU 624 Cb 0.22 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1coz h GLU 624 CO -0.01 0.96 0.00 0.39 -1.00 0.00 0.00 179.01 179.35 1coz n GLU 625 N -3.94 1.36 0.00 2.33 1.02 0.82 -5.07 120.64 117.16 1coz n GLU 625 Ca -0.03 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 1coz n GLU 625 Cb 0.62 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1coz n GLU 625 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42