#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf8 n HIS 505 N 0.00 2.14 -2.41 1.57 -0.00 -1.26 -4.97 115.22 110.29 1sf8 n HIS 505 Ca 0.00 -2.08 -0.41 0.00 -0.00 0.00 0.00 57.72 55.23 1sf8 n HIS 505 Cb 0.00 -0.72 -0.03 0.00 -0.00 0.00 0.00 29.99 29.24 1sf8 n HIS 505 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1sf8 s HIS 506 N -3.46 2.20 -0.20 4.41 0.00 -1.26 -4.97 115.29 112.01 1sf8 s HIS 506 Ca 0.52 0.30 -0.21 0.00 -3.00 0.00 0.00 55.06 52.67 1sf8 s HIS 506 Cb 0.44 -4.45 -0.03 0.00 -4.00 0.00 0.00 32.58 24.54 1sf8 s HIS 506 CO 0.02 -2.05 0.62 -1.01 -1.00 0.00 0.00 174.74 171.32 1sf8 s HIS 507 N 6.34 3.38 0.41 0.38 4.02 -1.26 -5.06 115.29 123.49 1sf8 s HIS 507 Ca 0.47 0.91 0.08 0.00 1.02 0.00 0.00 55.06 57.53 1sf8 s HIS 507 Cb -0.10 -2.78 -0.04 0.00 -1.02 0.00 0.00 32.58 28.64 1sf8 s HIS 507 CO 0.20 -0.17 0.23 -1.01 1.02 0.00 0.00 174.74 175.02 1sf8 s HIS 508 N 1.88 2.65 -0.30 1.40 0.09 -1.26 -5.10 115.29 114.65 1sf8 s HIS 508 Ca 0.28 -0.54 0.00 0.00 -0.00 0.00 0.00 55.06 54.80 1sf8 s HIS 508 Cb -0.16 -1.99 0.00 0.00 -0.00 0.00 0.00 32.58 30.43 1sf8 s HIS 508 CO 0.10 0.11 0.00 0.41 -0.00 0.00 0.00 174.74 175.37 1sf8 n GLY 509 N -1.32 0.69 0.30 -2.22 0.00 -1.26 -4.84 105.19 96.54 1sf8 n GLY 509 Ca 0.00 -2.30 0.08 0.00 0.00 0.00 0.00 46.02 43.80 1sf8 n GLY 509 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sf8 n SER 510 N 0.18 2.00 -0.18 1.61 7.64 -1.26 -4.82 113.62 118.79 1sf8 n SER 510 Ca 0.00 -3.28 -0.02 0.00 1.01 0.00 0.00 58.87 56.58 1sf8 n SER 510 Cb 0.00 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 62.80 1sf8 n SER 510 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1sf8 h PHE 511 N 0.36 -0.23 -0.37 1.43 3.57 -1.95 -1.96 116.94 117.79 1sf8 h PHE 511 Ca -0.01 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1sf8 h PHE 511 Cb 1.04 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 1sf8 h PHE 511 CO 0.26 -0.21 0.03 0.82 -2.23 0.00 0.00 178.31 176.98 1sf8 h ILE 512 N 0.02 0.76 -1.00 1.41 2.04 -1.97 -1.05 117.51 117.71 1sf8 h ILE 512 Ca 0.27 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 66.12 1sf8 h ILE 512 Cb 0.41 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1sf8 h ILE 512 CO -0.54 0.02 0.66 0.44 0.00 0.00 0.00 178.15 178.73 1sf8 h ASP 513 N 0.14 1.09 -0.07 1.72 3.32 -1.77 0.24 116.42 121.09 1sf8 h ASP 513 Ca 0.18 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1sf8 h ASP 513 Cb 0.24 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1sf8 h ASP 513 CO -0.27 0.73 0.04 -0.09 -1.72 0.00 0.00 179.24 177.93 1sf8 h ARG 514 N 1.25 0.10 -0.66 3.56 2.43 -0.68 -1.09 114.38 119.28 1sf8 h ARG 514 Ca 0.41 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.51 1sf8 h ARG 514 Cb 0.04 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1sf8 h ARG 514 CO -0.14 0.14 0.19 0.28 -1.51 0.00 0.00 179.97 178.93 1sf8 h VAL 515 N 0.03 1.25 0.05 0.20 2.07 -0.79 -2.12 116.25 116.94 1sf8 h VAL 515 Ca 0.02 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1sf8 h VAL 515 Cb 0.07 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1sf8 h VAL 515 CO -0.00 0.34 -0.07 0.11 0.02 0.00 0.00 177.57 177.97 1sf8 h LYS 516 N 0.97 -0.14 -0.56 1.57 1.57 -0.75 -0.38 116.57 118.86 1sf8 h LYS 516 Ca 0.21 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 1sf8 h LYS 516 Cb 0.33 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 1sf8 h LYS 516 CO -0.00 -0.09 -0.12 0.00 -0.57 0.00 0.00 179.45 178.67 1sf8 h ALA 517 N 0.81 0.40 -0.23 3.86 0.00 -1.01 0.22 119.26 123.31 1sf8 h ALA 517 Ca 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1sf8 h ALA 517 Cb 0.15 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sf8 h ALA 517 CO -0.04 -0.43 0.08 1.25 0.00 0.00 0.00 179.25 180.11 1sf8 h LEU 518 N 0.02 0.33 -0.19 0.00 5.85 -1.01 -3.26 115.31 117.05 1sf8 h LEU 518 Ca 0.27 -0.19 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 1sf8 h LEU 518 Cb 0.42 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1sf8 h LEU 518 CO -0.56 0.43 -0.91 -0.07 -0.34 0.00 0.00 178.44 176.99 1sf8 h LEU 519 N 0.20 0.03 0.00 2.25 3.38 -0.58 -3.49 115.31 117.10 1sf8 h LEU 519 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1sf8 h LEU 519 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1sf8 h LEU 519 CO -0.00 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1sf8 n GLY 520 N 1.07 2.64 1.19 0.83 0.00 0.72 -2.39 105.19 109.26 1sf8 n GLY 520 Ca -0.01 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1sf8 n GLY 520 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sf8 n GLU 521 N 13.50 2.89 0.17 1.61 0.28 -1.26 -3.74 120.64 134.08 1sf8 n GLU 521 Ca 0.00 -2.02 0.13 0.00 -0.16 0.00 0.00 57.16 55.11 1sf8 n GLU 521 Cb 0.00 -1.69 0.54 0.00 1.43 0.00 0.00 31.44 31.72 1sf8 n GLU 521 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sf8 h ARG 522 N 2.94 0.00 -5.14 3.44 3.08 -1.88 -3.42 114.38 113.39 1sf8 h ARG 522 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 1sf8 h ARG 522 Cb 1.07 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.91 1sf8 h ARG 522 CO 0.15 0.00 -0.77 0.08 -1.07 0.00 0.00 179.97 178.37 1sf8 s VAL 523 N -3.40 0.96 -0.02 2.04 1.01 -1.25 -4.61 120.40 115.14 1sf8 s VAL 523 Ca 0.04 -1.26 0.17 0.00 0.00 0.00 0.00 61.98 60.93 1sf8 s VAL 523 Cb 0.09 -0.96 0.11 0.00 0.00 0.00 0.00 36.38 35.62 1sf8 s VAL 523 CO 0.43 -0.27 1.59 0.50 0.00 0.00 0.00 175.10 177.35 1sf8 h LYS 524 N 4.33 0.00 0.00 2.72 3.64 -0.16 -3.48 116.57 123.62 1sf8 h LYS 524 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1sf8 h LYS 524 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1sf8 h LYS 524 CO 0.40 0.42 0.00 -3.47 -2.27 0.00 0.00 179.45 174.54 1sf8 n ASP 525 N -3.34 0.00 -4.27 4.20 2.03 -1.24 -5.01 116.55 108.93 1sf8 n ASP 525 Ca 0.01 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.03 1sf8 n ASP 525 Cb 0.62 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.87 1sf8 n ASP 525 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sf8 s VAL 526 N -2.00 1.85 0.12 5.18 1.01 -1.26 -0.46 120.40 124.84 1sf8 s VAL 526 Ca 0.00 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1sf8 s VAL 526 Cb 0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1sf8 s VAL 526 CO 0.00 0.51 0.19 -0.13 0.00 0.00 0.00 175.10 175.66 1sf8 s ARG 527 N -0.60 0.94 -0.28 2.72 0.52 -0.24 -4.97 118.95 117.04 1sf8 s ARG 527 Ca 0.09 -1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1sf8 s ARG 527 Cb -0.09 0.33 0.04 0.00 0.52 0.00 0.00 34.95 35.74 1sf8 s ARG 527 CO -0.01 -0.31 -0.02 -0.51 0.02 0.00 0.00 175.30 174.48 1sf8 s LEU 528 N -2.93 3.57 0.02 2.53 1.43 -1.26 -1.06 118.68 120.98 1sf8 s LEU 528 Ca 0.12 -1.04 0.02 0.00 -1.03 0.00 0.00 54.13 52.20 1sf8 s LEU 528 Cb 0.05 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1sf8 s LEU 528 CO -0.06 -0.19 -0.08 0.42 0.23 0.00 0.00 176.35 176.67 1sf8 s THR 529 N 1.31 0.57 0.73 5.49 -4.23 -0.82 -4.95 115.64 113.73 1sf8 s THR 529 Ca -0.02 -0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.69 1sf8 s THR 529 Cb -0.18 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 73.13 1sf8 s THR 529 CO -0.02 -0.10 1.07 -1.00 -0.54 0.00 0.00 174.62 174.03 1sf8 s HIS 530 N -0.74 3.05 0.24 3.99 3.76 -1.26 -4.04 115.29 120.29 1sf8 s HIS 530 Ca -0.03 1.31 0.07 0.00 -0.15 0.00 0.00 55.06 56.26 1sf8 s HIS 530 Cb -0.06 -2.96 -0.05 0.00 1.11 0.00 0.00 32.58 30.61 1sf8 s HIS 530 CO 0.00 -1.39 -0.09 1.03 -0.85 0.00 0.00 174.74 173.44 1sf8 s ARG 531 N -5.10 1.44 0.00 1.40 1.81 -1.26 -5.02 118.95 112.21 1sf8 s ARG 531 Ca 0.59 -1.69 0.23 0.00 -1.72 0.00 0.00 55.73 53.14 1sf8 s ARG 531 Cb -0.14 -1.10 0.63 0.00 -0.45 0.00 0.00 34.95 33.89 1sf8 s ARG 531 CO 0.55 0.09 1.50 1.28 -0.68 0.00 0.00 175.30 178.04 1sf8 n LEU 532 N -0.48 2.33 0.00 2.53 4.77 -1.26 -4.91 117.00 119.98 1sf8 n LEU 532 Ca -0.07 -0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 54.88 1sf8 n LEU 532 Cb 0.62 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1sf8 n LEU 532 CO 0.37 0.46 -0.08 0.35 -1.33 0.00 0.00 177.39 177.16 1sf8 n THR 533 N 0.77 0.00 -1.08 -5.08 -2.24 -1.26 -5.03 114.28 100.36 1sf8 n THR 533 Ca 0.17 -0.88 -0.24 0.00 -2.27 0.00 0.00 64.05 60.83 1sf8 n THR 533 Cb 0.45 0.22 0.14 0.00 -2.10 0.00 0.00 70.33 69.04 1sf8 n THR 533 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1sf8 n ASP 534 N -1.33 4.62 -4.64 3.42 9.92 -1.26 -4.94 116.55 122.34 1sf8 n ASP 534 Ca -0.06 -3.51 -0.41 0.00 -0.53 0.00 0.00 54.79 50.28 1sf8 n ASP 534 Cb 0.23 -0.85 -0.05 0.00 -0.64 0.00 0.00 41.12 39.81 1sf8 n ASP 534 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1sf8 s THR 535 N -3.34 4.92 0.39 -3.53 2.01 -1.26 -4.96 115.64 109.87 1sf8 s THR 535 Ca 0.53 1.36 0.07 0.00 0.31 0.00 0.00 61.69 63.97 1sf8 s THR 535 Cb 0.44 -4.03 0.22 0.00 0.01 0.00 0.00 72.50 69.14 1sf8 s THR 535 CO 0.07 -0.00 1.99 1.55 -0.69 0.00 0.00 174.62 177.54 1sf8 h PRO 536 N 7.70 0.47 -2.21 4.92 0.13 -1.92 -3.42 132.00 137.68 1sf8 h PRO 536 Ca -0.26 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1sf8 h PRO 536 Cb 1.11 -0.09 -0.18 0.00 0.13 0.00 0.00 31.00 31.98 1sf8 h PRO 536 CO 0.82 0.40 0.26 0.00 -0.23 0.00 0.00 178.00 179.25 1sf8 s ALA 537 N -5.21 -1.75 0.32 -0.56 0.00 -1.26 0.27 121.76 113.57 1sf8 s ALA 537 Ca -0.07 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1sf8 s ALA 537 Cb 0.17 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1sf8 s ALA 537 CO 0.74 -0.48 0.15 0.96 0.00 0.00 0.00 175.76 177.12 1sf8 s ILE 538 N -1.94 0.43 0.08 0.00 -4.36 -0.80 -4.42 121.20 110.19 1sf8 s ILE 538 Ca -0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.39 1sf8 s ILE 538 Cb -0.00 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 1sf8 s ILE 538 CO 0.02 0.00 -0.16 0.54 0.24 0.00 0.00 174.94 175.58 1sf8 s VAL 539 N -3.54 1.28 0.32 8.37 0.11 -1.26 -1.34 120.40 124.35 1sf8 s VAL 539 Ca 0.34 -1.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.01 1sf8 s VAL 539 Cb 0.05 -1.20 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 1sf8 s VAL 539 CO 0.17 -0.15 0.52 -1.54 -3.33 0.00 0.00 175.10 170.77 1sf8 n SER 540 N 1.31 -1.48 -3.87 3.54 3.41 -0.67 -4.92 113.62 110.95 1sf8 n SER 540 Ca -0.20 -2.58 -0.12 0.00 -0.26 0.00 0.00 58.87 55.71 1sf8 n SER 540 Cb 0.54 2.62 -0.14 0.00 -0.26 0.00 0.00 64.21 66.97 1sf8 n SER 540 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1sf8 s THR 541 N -2.58 -0.00 0.78 6.66 -4.23 -1.26 -1.04 115.64 113.97 1sf8 s THR 541 Ca 0.22 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.63 1sf8 s THR 541 Cb -0.02 -0.02 0.10 0.00 1.34 0.00 0.00 72.50 73.89 1sf8 s THR 541 CO 0.16 0.00 1.12 -1.81 -0.54 0.00 0.00 174.62 173.54 1sf8 s ASP 542 N 0.01 4.37 0.86 3.99 1.01 -1.26 -4.98 116.67 120.67 1sf8 s ASP 542 Ca -0.00 0.45 -0.13 0.00 0.71 0.00 0.00 52.55 53.57 1sf8 s ASP 542 Cb -0.00 -0.92 0.05 0.00 1.01 0.00 0.00 42.92 43.06 1sf8 s ASP 542 CO 0.00 -1.92 0.72 0.00 0.21 0.00 0.00 175.17 174.18 1sf8 n ALA 543 N -3.18 -1.51 -2.34 5.23 0.00 -1.26 -2.42 120.51 115.03 1sf8 n ALA 543 Ca 0.10 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1sf8 n ALA 543 Cb 0.60 -1.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1sf8 n ALA 543 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sf8 n ASP 544 N -1.95 -4.36 0.00 0.00 8.00 -1.26 -5.16 116.55 111.82 1sf8 n ASP 544 Ca 0.10 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1sf8 n ASP 544 Cb 0.52 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1sf8 n ASP 544 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sf8 n GLU 545 N -2.77 0.00 -2.94 -1.24 -0.58 -1.01 -5.26 120.64 106.83 1sf8 n GLU 545 Ca -0.17 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.49 1sf8 n GLU 545 Cb 0.62 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.48 1sf8 n GLU 545 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1sf8 n SER 547 N 0.00 -1.01 -0.00 1.62 3.41 -1.26 -4.82 113.62 111.56 1sf8 n SER 547 Ca 0.00 -2.11 -0.12 0.00 -0.26 0.00 0.00 58.87 56.38 1sf8 n SER 547 Cb 0.00 1.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.68 1sf8 n SER 547 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1sf8 h THR 548 N 1.62 1.12 0.00 6.66 2.02 -1.99 -1.63 112.91 120.71 1sf8 h THR 548 Ca -0.18 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1sf8 h THR 548 Cb 0.74 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1sf8 h THR 548 CO 0.24 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.23 1sf8 n GLN 549 N -4.96 0.32 0.00 6.66 6.02 -1.26 -2.64 117.38 121.52 1sf8 n GLN 549 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1sf8 n GLN 549 Cb 0.10 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1sf8 n GLN 549 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sf8 n ALA 551 N 1.03 0.00 -0.27 -1.58 0.00 -0.61 -1.19 120.51 117.89 1sf8 n ALA 551 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1sf8 n ALA 551 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.66 1sf8 n ALA 551 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1sf8 h LYS 552 N 0.00 1.11 -0.32 0.00 1.57 -1.79 -1.43 116.57 115.71 1sf8 h LYS 552 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1sf8 h LYS 552 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1sf8 h LYS 552 CO 0.00 0.92 0.21 1.25 -0.57 0.00 0.00 179.45 181.26 1sf8 h LEU 553 N 1.06 0.37 0.11 2.94 7.12 -1.46 0.14 115.31 125.60 1sf8 h LEU 553 Ca 0.24 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.25 1sf8 h LEU 553 Cb 0.24 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.24 1sf8 h LEU 553 CO -0.02 0.29 -0.34 0.15 -0.13 0.00 0.00 178.44 178.40 1sf8 h PHE 554 N 0.43 -0.92 -0.39 1.25 -0.00 -1.71 -0.32 116.94 115.28 1sf8 h PHE 554 Ca 0.12 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 58.12 1sf8 h PHE 554 Cb -0.03 0.39 -0.02 0.00 -0.00 0.00 0.00 35.95 36.29 1sf8 h PHE 554 CO -0.05 -0.44 0.23 0.00 -0.00 0.00 0.00 178.31 178.05 1sf8 h ALA 555 N 0.08 0.49 -0.09 2.41 0.00 -1.09 -0.81 119.26 120.25 1sf8 h ALA 555 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sf8 h ALA 555 Cb 0.59 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sf8 h ALA 555 CO -0.21 -0.11 0.14 0.00 0.00 0.00 0.00 179.25 179.08 1sf8 h ALA 556 N 1.17 1.54 -0.26 0.00 0.00 -0.23 0.16 119.26 121.64 1sf8 h ALA 556 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sf8 h ALA 556 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sf8 h ALA 556 CO -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.00 1sf8 n ALA 557 N -2.23 2.59 -1.95 0.00 0.00 -0.17 -4.86 120.51 113.88 1sf8 n ALA 557 Ca -0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 1sf8 n ALA 557 Cb 0.23 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1sf8 n ALA 557 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf8 n GLY 558 N 0.77 0.26 3.69 0.00 0.00 0.57 -5.03 105.19 105.45 1sf8 n GLY 558 Ca 0.10 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1sf8 n GLY 558 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sf8 s GLN 559 N -4.03 2.47 -0.17 1.61 -1.52 -0.96 -5.03 119.66 112.02 1sf8 s GLN 559 Ca 0.00 -1.23 -0.02 0.00 -1.95 0.00 0.00 55.36 52.16 1sf8 s GLN 559 Cb 0.00 -2.32 -0.01 0.00 -0.22 0.00 0.00 33.01 30.46 1sf8 s GLN 559 CO 0.00 0.40 -0.10 -1.59 -0.25 0.00 0.00 175.29 173.75 1sf8 s LYS 560 N -3.47 3.35 0.02 2.91 -2.85 -1.26 -4.05 119.74 114.39 1sf8 s LYS 560 Ca 0.30 -0.67 -0.01 0.00 -1.00 0.00 0.00 55.97 54.60 1sf8 s LYS 560 Cb -0.08 -2.78 -0.02 0.00 -2.06 0.00 0.00 37.83 32.90 1sf8 s LYS 560 CO 0.21 0.02 -0.02 0.14 0.10 0.00 0.00 175.35 175.79 1sf8 s VAL 561 N 0.87 0.11 0.91 1.79 -7.23 -1.26 -5.08 120.40 110.52 1sf8 s VAL 561 Ca -0.03 -0.94 -0.11 0.00 -1.81 0.00 0.00 61.98 59.09 1sf8 s VAL 561 Cb -0.15 -0.34 0.13 0.00 0.56 0.00 0.00 36.38 36.58 1sf8 s VAL 561 CO 0.00 -0.52 1.07 -0.81 -0.31 0.00 0.00 175.10 174.53 1sf8 n PRO 562 N 1.51 -0.38 -2.28 4.82 -0.04 -1.26 -4.92 135.00 132.46 1sf8 n PRO 562 Ca -0.23 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.76 1sf8 n PRO 562 Cb 0.55 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1sf8 n PRO 562 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1sf8 s GLU 563 N -4.46 4.39 -0.22 0.54 2.02 -1.26 -4.90 118.70 114.81 1sf8 s GLU 563 Ca 0.67 1.96 -0.41 0.00 0.02 0.00 0.00 54.97 57.21 1sf8 s GLU 563 Cb -0.24 -3.25 -0.17 0.00 0.10 0.00 0.00 34.13 30.57 1sf8 s GLU 563 CO 0.58 -0.29 1.58 0.28 0.02 0.00 0.00 175.26 177.43 1sf8 n VAL 564 N 3.35 0.16 -2.96 2.63 0.31 -1.26 -4.88 118.33 115.67 1sf8 n VAL 564 Ca 0.08 -0.03 -0.44 0.00 -0.01 0.00 0.00 64.34 63.95 1sf8 n VAL 564 Cb 0.44 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 1sf8 n VAL 564 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1sf8 s LYS 565 N 2.51 3.09 1.08 5.55 -0.14 -1.26 -5.02 119.74 125.54 1sf8 s LYS 565 Ca 0.96 -1.05 -0.17 0.00 -1.36 0.00 0.00 55.97 54.35 1sf8 s LYS 565 Cb -1.14 -4.26 0.23 0.00 -1.68 0.00 0.00 37.83 30.99 1sf8 s LYS 565 CO 0.64 -1.71 1.18 0.71 -0.76 0.00 0.00 175.35 175.41 1sf8 s TYR 566 N 3.47 1.21 -0.22 3.18 1.51 -1.26 -4.19 117.35 121.05 1sf8 s TYR 566 Ca 0.18 0.52 -0.02 0.00 -1.01 0.00 0.00 57.07 56.73 1sf8 s TYR 566 Cb -0.20 -3.64 0.01 0.00 -0.11 0.00 0.00 41.96 38.02 1sf8 s TYR 566 CO 0.08 -3.23 -0.08 0.42 -1.11 0.00 0.00 175.55 171.63 1sf8 s ILE 567 N -3.32 2.98 -0.31 2.71 1.01 -0.20 0.46 121.20 124.53 1sf8 s ILE 567 Ca 0.70 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 1sf8 s ILE 567 Cb -0.09 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.01 1sf8 s ILE 567 CO 0.55 0.40 0.90 0.12 0.00 0.00 0.00 174.94 176.90 1sf8 s PHE 568 N 1.41 3.19 -0.35 3.97 5.36 0.40 -1.66 117.98 130.29 1sf8 s PHE 568 Ca 0.04 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 56.97 1sf8 s PHE 568 Cb -0.14 -3.38 0.08 0.00 -0.34 0.00 0.00 43.02 39.24 1sf8 s PHE 568 CO -0.06 -0.63 0.09 -1.21 -1.46 0.00 0.00 175.22 171.96 1sf8 s GLU 569 N 3.20 2.12 0.10 10.12 2.02 -0.45 -1.08 118.70 134.73 1sf8 s GLU 569 Ca 0.37 -1.59 -0.22 0.00 0.02 0.00 0.00 54.97 53.56 1sf8 s GLU 569 Cb -0.13 -3.36 -0.07 0.00 0.10 0.00 0.00 34.13 30.67 1sf8 s GLU 569 CO 0.13 -0.86 0.65 -0.51 0.02 0.00 0.00 175.26 174.69 1sf8 s LEU 570 N 1.16 4.54 -0.77 1.80 1.43 -0.22 -1.89 118.68 124.72 1sf8 s LEU 570 Ca 0.03 1.39 -0.22 0.00 -1.03 0.00 0.00 54.13 54.30 1sf8 s LEU 570 Cb -0.21 -3.04 0.08 0.00 0.03 0.00 0.00 46.19 43.05 1sf8 s LEU 570 CO -0.03 0.24 1.08 0.21 0.23 0.00 0.00 176.35 178.08 1sf8 s ASN 571 N -1.05 6.32 0.50 2.29 2.47 0.14 -1.95 114.94 123.66 1sf8 s ASN 571 Ca 0.32 -1.24 0.36 0.00 0.42 0.00 0.00 52.86 52.71 1sf8 s ASN 571 Cb -0.21 -2.44 1.51 0.00 -1.45 0.00 0.00 41.25 38.66 1sf8 s ASN 571 CO 0.21 -1.40 1.69 -0.65 -3.72 0.00 0.00 177.10 173.24 1sf8 h PRO 572 N 9.46 0.08 -0.00 0.43 0.11 -1.87 0.53 132.00 140.73 1sf8 h PRO 572 Ca -0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1sf8 h PRO 572 Cb 1.05 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1sf8 h PRO 572 CO 1.20 0.05 -0.35 -0.25 -0.21 0.00 0.00 178.00 178.44 1sf8 n ASP 573 N -4.32 0.51 -4.71 -2.05 8.00 -1.26 -4.72 116.55 108.00 1sf8 n ASP 573 Ca 0.34 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 1sf8 n ASP 573 Cb 1.45 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 42.61 1sf8 n ASP 573 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1sf8 s HIS 574 N -2.86 3.39 0.21 1.24 2.46 0.17 -4.94 115.29 114.96 1sf8 s HIS 574 Ca 0.15 1.30 -0.21 0.00 0.47 0.00 0.00 55.06 56.78 1sf8 s HIS 574 Cb 0.18 -3.40 0.16 0.00 -0.13 0.00 0.00 32.58 29.39 1sf8 s HIS 574 CO 0.62 -1.20 1.55 0.28 -2.47 0.00 0.00 174.74 173.52 1sf8 h VAL 575 N 4.66 0.02 -0.12 0.89 2.07 -1.90 0.14 116.25 122.01 1sf8 h VAL 575 Ca -0.40 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1sf8 h VAL 575 Cb 1.20 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1sf8 h VAL 575 CO 0.82 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 178.30 1sf8 h LEU 576 N -0.03 0.15 -0.65 2.57 3.38 -1.95 0.21 115.31 119.00 1sf8 h LEU 576 Ca 0.29 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 1sf8 h LEU 576 Cb 0.56 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1sf8 h LEU 576 CO -0.94 0.22 -0.56 0.58 0.09 0.00 0.00 178.44 177.83 1sf8 h VAL 577 N 0.16 1.20 -0.01 1.22 2.07 -1.07 -2.26 116.25 117.56 1sf8 h VAL 577 Ca 0.04 -2.07 -0.19 0.00 0.82 0.00 0.00 66.70 65.30 1sf8 h VAL 577 Cb 0.18 2.18 0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1sf8 h VAL 577 CO 0.01 0.55 -0.73 0.11 0.02 0.00 0.00 177.57 177.52 1sf8 h LYS 578 N 0.00 0.52 -0.94 1.57 1.57 0.21 -2.86 116.57 116.64 1sf8 h LYS 578 Ca -0.01 -0.54 0.07 0.00 -1.87 0.00 0.00 60.65 58.30 1sf8 h LYS 578 Cb 1.14 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 1sf8 h LYS 578 CO 0.07 1.17 0.59 -0.09 -0.57 0.00 0.00 179.45 180.63 1sf8 h ARG 579 N 0.09 1.03 -0.56 3.15 2.43 -0.57 -1.08 114.38 118.87 1sf8 h ARG 579 Ca -0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1sf8 h ARG 579 Cb 1.42 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1sf8 h ARG 579 CO 0.15 0.68 0.15 0.00 -1.51 0.00 0.00 179.97 179.44 1sf8 h ALA 580 N 1.44 0.74 -0.02 2.80 0.00 -1.38 -1.66 119.26 121.17 1sf8 h ALA 580 Ca 0.41 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1sf8 h ALA 580 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1sf8 h ALA 580 CO -0.18 0.43 -0.32 0.00 0.00 0.00 0.00 179.25 179.17 1sf8 h ALA 581 N 1.03 1.43 0.00 0.00 0.00 -1.13 -2.74 119.26 117.85 1sf8 h ALA 581 Ca 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1sf8 h ALA 581 Cb 0.32 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sf8 h ALA 581 CO -0.00 0.42 -0.23 -0.44 0.00 0.00 0.00 179.25 179.00 1sf8 h ASP 582 N 0.03 0.00 -2.64 0.00 3.32 -0.91 -3.45 116.42 112.78 1sf8 h ASP 582 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1sf8 h ASP 582 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1sf8 h ASP 582 CO 0.04 0.15 1.14 -0.89 -1.72 0.00 0.00 179.24 177.96 1sf8 s THR 583 N -3.15 3.59 0.04 0.35 2.01 -0.65 -4.87 115.64 112.95 1sf8 s THR 583 Ca 0.05 0.68 0.10 0.00 0.31 0.00 0.00 61.69 62.83 1sf8 s THR 583 Cb 0.06 -3.54 -0.20 0.00 0.01 0.00 0.00 72.50 68.83 1sf8 s THR 583 CO 0.70 -0.17 1.05 -0.33 -0.69 0.00 0.00 174.62 175.18 1sf8 h GLU 584 N 10.54 0.00 -6.16 4.92 5.08 -1.87 -3.44 114.58 123.65 1sf8 h GLU 584 Ca -0.37 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.42 1sf8 h GLU 584 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sf8 h GLU 584 CO 0.98 0.76 1.34 0.34 -1.00 0.00 0.00 179.01 181.43 1sf8 s ASP 585 N -6.44 5.90 0.60 1.42 2.15 -1.26 -4.86 116.67 114.19 1sf8 s ASP 585 Ca -0.01 1.97 0.30 0.00 0.43 0.00 0.00 52.55 55.24 1sf8 s ASP 585 Cb 0.09 -2.52 1.72 0.00 -0.30 0.00 0.00 42.92 41.91 1sf8 s ASP 585 CO 0.82 -1.59 2.10 -0.33 -0.17 0.00 0.00 175.17 176.00 1sf8 h GLU 586 N 12.98 0.00 0.23 4.34 4.39 -1.99 0.09 114.58 134.62 1sf8 h GLU 586 Ca -0.41 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 1sf8 h GLU 586 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1sf8 h GLU 586 CO 0.97 0.00 -0.11 0.00 -1.16 0.00 0.00 179.01 178.71 1sf8 h ALA 587 N 1.74 -0.31 -0.72 3.43 0.00 -1.98 -2.13 119.26 119.30 1sf8 h ALA 587 Ca 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sf8 h ALA 587 Cb 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1sf8 h ALA 587 CO -0.00 -0.36 0.44 0.87 0.00 0.00 0.00 179.25 180.19 1sf8 h LYS 588 N -0.93 0.98 0.25 0.00 1.57 -1.85 -1.50 116.57 115.07 1sf8 h LYS 588 Ca -0.03 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1sf8 h LYS 588 Cb 0.49 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1sf8 h LYS 588 CO 0.05 0.69 -0.32 0.35 -0.57 0.00 0.00 179.45 179.66 1sf8 h PHE 589 N 0.98 -0.90 -1.29 -1.35 3.57 -1.07 -0.91 116.94 115.97 1sf8 h PHE 589 Ca 0.26 0.01 0.38 0.00 3.53 0.00 0.00 57.97 62.15 1sf8 h PHE 589 Cb -0.03 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 1sf8 h PHE 589 CO -0.01 -0.41 0.89 1.03 -2.23 0.00 0.00 178.31 177.59 1sf8 h SER 590 N -0.58 0.15 -0.10 0.41 0.87 -1.18 0.88 113.55 114.00 1sf8 h SER 590 Ca -0.03 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1sf8 h SER 590 Cb 0.52 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1sf8 h SER 590 CO -0.08 -0.01 -0.11 -0.08 -0.53 0.00 0.00 176.83 176.02 1sf8 h GLU 591 N 0.11 0.25 -0.02 2.24 4.57 -0.14 -1.61 114.58 119.98 1sf8 h GLU 591 Ca 0.67 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.71 1sf8 h GLU 591 Cb 2.36 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.96 1sf8 h GLU 591 CO -0.15 0.68 0.01 -1.49 -1.18 0.00 0.00 179.01 176.89 1sf8 h TRP 592 N -0.17 0.02 -0.35 0.92 4.06 0.22 -1.47 115.95 119.19 1sf8 h TRP 592 Ca 0.01 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.03 1sf8 h TRP 592 Cb 0.65 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.73 1sf8 h TRP 592 CO 0.09 0.15 -0.06 0.28 -3.56 0.00 0.00 178.44 175.34 1sf8 h VAL 593 N -0.11 0.68 -0.64 1.49 2.07 -1.23 -0.30 116.25 118.21 1sf8 h VAL 593 Ca 0.01 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1sf8 h VAL 593 Cb 0.13 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1sf8 h VAL 593 CO -0.00 0.01 0.43 -0.33 0.02 0.00 0.00 177.57 177.69 1sf8 h GLU 594 N 0.03 0.63 -0.10 1.57 4.39 -1.15 -0.52 114.58 119.43 1sf8 h GLU 594 Ca 0.17 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1sf8 h GLU 594 Cb 0.25 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1sf8 h GLU 594 CO -0.33 0.41 -0.01 1.25 -1.16 0.00 0.00 179.01 179.18 1sf8 h LEU 595 N 0.65 0.18 -0.30 1.33 5.85 -0.00 -2.17 115.31 120.84 1sf8 h LEU 595 Ca 0.28 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1sf8 h LEU 595 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1sf8 h LEU 595 CO -0.09 0.46 0.11 -0.07 -0.34 0.00 0.00 178.44 178.52 1sf8 h LEU 596 N -0.10 0.42 -0.46 2.25 3.38 -0.72 -0.83 115.31 119.26 1sf8 h LEU 596 Ca 0.03 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1sf8 h LEU 596 Cb 0.37 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1sf8 h LEU 596 CO 0.01 0.49 0.26 0.25 0.09 0.00 0.00 178.44 179.54 1sf8 h LEU 597 N 0.33 0.42 -1.47 1.67 5.85 -1.13 -0.51 115.31 120.46 1sf8 h LEU 597 Ca 0.10 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1sf8 h LEU 597 Cb 0.20 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1sf8 h LEU 597 CO -0.01 0.30 0.13 0.44 -0.34 0.00 0.00 178.44 178.96 1sf8 h ASP 598 N 0.53 0.44 -0.55 1.25 5.19 -1.21 -1.24 116.42 120.83 1sf8 h ASP 598 Ca 0.19 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.44 1sf8 h ASP 598 Cb 0.03 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 1sf8 h ASP 598 CO -0.09 0.40 -0.11 1.56 -3.12 0.00 0.00 179.24 177.88 1sf8 h GLN 599 N 0.49 1.04 -0.62 3.56 4.20 0.22 -1.65 115.11 122.35 1sf8 h GLN 599 Ca 0.12 -0.39 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 1sf8 h GLN 599 Cb 0.11 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1sf8 h GLN 599 CO -0.01 1.08 0.03 0.00 -0.67 0.00 0.00 178.83 179.26 1sf8 h ALA 600 N 0.93 0.83 0.07 3.87 0.00 -0.44 -1.43 119.26 123.09 1sf8 h ALA 600 Ca 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sf8 h ALA 600 Cb 0.69 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sf8 h ALA 600 CO 0.05 0.65 -0.04 -0.07 0.00 0.00 0.00 179.25 179.85 1sf8 h LEU 601 N 0.98 -0.08 -0.51 0.00 3.38 -1.12 -1.43 115.31 116.53 1sf8 h LEU 601 Ca 0.18 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1sf8 h LEU 601 Cb 0.53 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1sf8 h LEU 601 CO 0.03 0.24 -0.01 0.25 0.09 0.00 0.00 178.44 179.04 1sf8 h LEU 602 N -0.42 -0.24 -1.77 1.67 5.85 -1.22 0.41 115.31 119.58 1sf8 h LEU 602 Ca -0.01 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1sf8 h LEU 602 Cb 0.36 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1sf8 h LEU 602 CO 0.02 -0.09 -0.16 0.00 -0.34 0.00 0.00 178.44 177.88 1sf8 h ALA 603 N 1.46 1.54 0.09 1.25 0.00 -1.14 0.23 119.26 122.69 1sf8 h ALA 603 Ca 0.26 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 1sf8 h ALA 603 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1sf8 h ALA 603 CO -0.44 0.19 -1.40 1.49 0.00 0.00 0.00 179.25 179.10 1sf8 h GLU 604 N 0.00 0.19 -0.01 0.00 4.57 0.40 -3.39 114.58 116.34 1sf8 h GLU 604 Ca -0.00 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1sf8 h GLU 604 Cb 0.32 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1sf8 h GLU 604 CO 0.02 1.16 -0.67 0.54 -1.18 0.00 0.00 179.01 178.88 1sf8 n ARG 605 N -3.99 0.90 -0.89 1.92 1.74 0.11 -4.96 116.66 111.50 1sf8 n ARG 605 Ca -0.26 -0.55 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 1sf8 n ARG 605 Cb 0.86 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1sf8 n ARG 605 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sf8 n GLY 606 N 1.42 0.34 3.42 -0.13 0.00 0.82 -4.93 105.19 106.11 1sf8 n GLY 606 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1sf8 n GLY 606 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sf8 s THR 607 N -1.87 0.02 0.08 2.61 -1.32 -1.25 -5.02 115.64 108.87 1sf8 s THR 607 Ca 0.00 -0.15 0.07 0.00 -1.21 0.00 0.00 61.69 60.41 1sf8 s THR 607 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1sf8 s THR 607 CO 0.00 -0.08 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.37 1sf8 s LEU 608 N -2.13 2.25 0.30 9.08 1.43 -1.26 -4.35 118.68 124.00 1sf8 s LEU 608 Ca -0.04 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1sf8 s LEU 608 Cb -0.00 -0.85 0.46 0.00 0.03 0.00 0.00 46.19 45.83 1sf8 s LEU 608 CO -0.04 0.07 1.86 1.05 0.23 0.00 0.00 176.35 179.52 1sf8 h GLU 609 N 4.38 0.79 -2.36 1.70 -0.00 -2.01 -3.34 114.58 113.75 1sf8 h GLU 609 Ca -0.44 -0.14 -0.59 0.00 -0.00 0.00 0.00 59.36 58.19 1sf8 h GLU 609 Cb 1.18 -0.13 -0.40 0.00 -0.00 0.00 0.00 28.75 29.40 1sf8 h GLU 609 CO 0.41 0.69 -0.87 -3.47 -0.00 0.00 0.00 179.01 175.78 1sf8 n ASP 610 N -4.30 1.21 -0.26 3.06 -0.08 -1.26 -4.97 116.55 109.94 1sf8 n ASP 610 Ca 0.04 -2.84 0.06 0.00 -1.51 0.00 0.00 54.79 50.54 1sf8 n ASP 610 Cb 0.20 -0.64 0.19 0.00 2.34 0.00 0.00 41.12 43.21 1sf8 n ASP 610 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1sf8 h PRO 611 N 4.80 0.46 -0.33 -0.67 0.11 -2.00 -1.73 132.00 132.64 1sf8 h PRO 611 Ca 0.17 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1sf8 h PRO 611 Cb 0.82 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1sf8 h PRO 611 CO 0.55 0.30 0.08 -0.91 -0.21 0.00 0.00 178.00 177.82 1sf8 h ASN 612 N 0.47 0.44 -0.48 -2.05 2.35 -1.95 -0.49 115.58 113.86 1sf8 h ASN 612 Ca 0.42 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 56.02 1sf8 h ASN 612 Cb 0.63 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1sf8 h ASN 612 CO -0.39 0.45 -0.08 0.25 -1.65 0.00 0.00 177.43 176.01 1sf8 h LEU 613 N 0.47 0.91 -0.27 1.61 5.85 -1.75 -1.34 115.31 120.79 1sf8 h LEU 613 Ca 0.11 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1sf8 h LEU 613 Cb 0.19 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1sf8 h LEU 613 CO -0.00 1.04 0.14 0.15 -0.34 0.00 0.00 178.44 179.43 1sf8 h PHE 614 N 0.76 0.38 -0.91 1.25 3.57 -1.21 -1.95 116.94 118.84 1sf8 h PHE 614 Ca 0.13 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1sf8 h PHE 614 Cb 0.62 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1sf8 h PHE 614 CO 0.05 0.33 0.56 0.82 -2.23 0.00 0.00 178.31 177.84 1sf8 h ILE 615 N 0.32 1.25 -0.43 1.41 2.04 -0.98 -2.44 117.51 118.67 1sf8 h ILE 615 Ca 0.10 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1sf8 h ILE 615 Cb 0.08 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 1sf8 h ILE 615 CO -0.01 0.26 0.08 -0.09 0.00 0.00 0.00 178.15 178.38 1sf8 h ARG 616 N 1.25 0.71 0.00 2.37 2.43 -0.85 -2.50 114.38 117.80 1sf8 h ARG 616 Ca 0.33 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1sf8 h ARG 616 Cb -0.07 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1sf8 h ARG 616 CO -0.06 0.73 0.00 -2.13 -1.51 0.00 0.00 179.97 177.00 1sf8 n ARG 617 N -4.50 0.00 0.00 0.20 3.00 -0.77 -1.46 116.66 113.14 1sf8 n ARG 617 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1sf8 n ARG 617 Cb 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 32.46 31.83 1sf8 n ARG 617 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1sf8 n ASN 619 N 0.30 0.00 -0.02 6.15 3.02 -0.94 -1.08 115.26 122.69 1sf8 n ASN 619 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1sf8 n ASN 619 Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 1sf8 n ASN 619 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1sf8 h GLN 620 N 0.00 0.10 0.00 3.52 4.20 -1.53 -2.76 115.11 118.64 1sf8 h GLN 620 Ca 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1sf8 h GLN 620 Cb 0.00 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1sf8 h GLN 620 CO 0.00 0.50 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.48 1sf8 h LEU 621 N -0.31 0.00 -1.28 1.46 3.38 -1.37 -0.01 115.31 117.18 1sf8 h LEU 621 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1sf8 h LEU 621 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sf8 h LEU 621 CO 0.01 0.11 -0.12 -0.07 0.09 0.00 0.00 178.44 178.46 1sf8 h LEU 622 N 0.00 0.00 0.00 1.67 3.38 -1.75 -2.71 115.31 115.90 1sf8 h LEU 622 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sf8 h LEU 622 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sf8 h LEU 622 CO 0.01 0.12 -1.12 0.52 0.09 0.00 0.00 178.44 178.06 1sf8 n VAL 623 N -3.27 0.12 0.24 1.22 0.31 -0.18 -5.09 118.33 111.69 1sf8 n VAL 623 Ca 0.00 -0.23 0.02 0.00 -0.01 0.00 0.00 64.34 64.12 1sf8 n VAL 623 Cb 0.37 0.31 0.12 0.00 -0.91 0.00 0.00 33.84 33.72 1sf8 n VAL 623 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97