#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf8 h PHE 511 N 0.00 0.00 -0.70 7.33 3.57 -1.98 -3.27 116.94 121.89 1sf8 h PHE 511 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1sf8 h PHE 511 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1sf8 h PHE 511 CO 0.00 0.04 0.39 0.82 -2.23 0.00 0.00 178.31 177.33 1sf8 h ILE 512 N -1.00 0.96 0.00 1.41 2.04 -1.99 0.44 117.51 119.37 1sf8 h ILE 512 Ca -0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1sf8 h ILE 512 Cb 0.13 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1sf8 h ILE 512 CO -0.00 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.75 1sf8 n ASP 513 N -4.77 0.00 -0.04 1.72 8.00 -1.26 -1.31 116.55 118.89 1sf8 n ASP 513 Ca 0.09 -0.61 -0.04 0.00 0.71 0.00 0.00 54.79 54.94 1sf8 n ASP 513 Cb 0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1sf8 n ASP 513 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1sf8 n ARG 514 N -0.83 2.31 0.03 -1.24 0.63 0.13 -4.54 116.66 113.15 1sf8 n ARG 514 Ca 0.07 0.01 -0.19 0.00 -0.92 0.00 0.00 57.85 56.82 1sf8 n ARG 514 Cb 0.03 -1.18 -0.13 0.00 0.45 0.00 0.00 32.46 31.63 1sf8 n ARG 514 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1sf8 h VAL 515 N 0.00 1.49 -0.53 5.15 2.07 -0.08 -3.18 116.25 121.17 1sf8 h VAL 515 Ca -0.20 -2.33 0.10 0.00 0.82 0.00 0.00 66.70 65.10 1sf8 h VAL 515 Cb 1.42 2.96 -0.09 0.00 -1.52 0.00 0.00 31.29 34.06 1sf8 h VAL 515 CO 0.00 0.66 0.01 0.11 0.02 0.00 0.00 177.57 178.37 1sf8 h LYS 516 N -0.29 0.12 -0.43 1.57 1.57 -1.47 -0.72 116.57 116.92 1sf8 h LYS 516 Ca -0.11 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1sf8 h LYS 516 Cb 1.47 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.72 1sf8 h LYS 516 CO 0.13 0.08 0.25 0.00 -0.57 0.00 0.00 179.45 179.34 1sf8 h ALA 517 N 1.47 0.54 0.45 3.86 0.00 -1.80 0.58 119.26 124.37 1sf8 h ALA 517 Ca 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1sf8 h ALA 517 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1sf8 h ALA 517 CO -0.44 -0.08 -0.48 1.25 0.00 0.00 0.00 179.25 179.49 1sf8 h LEU 518 N 0.50 -1.34 -1.12 0.00 5.85 -1.19 -2.88 115.31 115.13 1sf8 h LEU 518 Ca 0.17 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 1sf8 h LEU 518 Cb 0.03 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1sf8 h LEU 518 CO -0.09 -0.64 -0.39 -0.07 -0.34 0.00 0.00 178.44 176.91 1sf8 h LEU 519 N -0.95 0.09 0.00 2.25 3.38 -1.04 -3.48 115.31 115.56 1sf8 h LEU 519 Ca -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1sf8 h LEU 519 Cb 0.84 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1sf8 h LEU 519 CO -0.08 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1sf8 n GLY 520 N -0.33 3.16 0.11 0.83 0.00 0.20 -2.42 105.19 106.73 1sf8 n GLY 520 Ca -0.02 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1sf8 n GLY 520 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sf8 n GLU 521 N 13.27 0.35 0.09 1.61 4.07 -1.26 -4.11 120.64 134.65 1sf8 n GLU 521 Ca 0.00 -0.22 0.20 0.00 -0.06 0.00 0.00 57.16 57.09 1sf8 n GLU 521 Cb 0.00 -1.50 0.75 0.00 -0.06 0.00 0.00 31.44 30.63 1sf8 n GLU 521 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sf8 h ARG 522 N 0.53 0.00 -6.37 5.31 3.08 -1.87 -3.40 114.38 111.65 1sf8 h ARG 522 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1sf8 h ARG 522 Cb 0.51 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.35 1sf8 h ARG 522 CO 0.00 0.00 -0.84 0.08 -1.07 0.00 0.00 179.97 178.14 1sf8 s VAL 523 N -4.68 1.88 0.19 2.04 1.01 -1.26 -4.68 120.40 114.91 1sf8 s VAL 523 Ca -0.04 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.35 1sf8 s VAL 523 Cb 0.16 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 1sf8 s VAL 523 CO 0.58 -0.03 1.45 0.50 0.00 0.00 0.00 175.10 177.61 1sf8 h LYS 524 N 3.99 0.22 -2.13 2.72 3.64 -0.16 -3.47 116.57 121.37 1sf8 h LYS 524 Ca -0.47 -0.19 0.17 0.00 -1.27 0.00 0.00 60.65 58.88 1sf8 h LYS 524 Cb 1.18 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.92 1sf8 h LYS 524 CO 0.40 0.88 0.56 0.34 -2.27 0.00 0.00 179.45 179.35 1sf8 s ASP 525 N -6.91 -0.25 -0.12 4.20 2.15 -1.22 -5.02 116.67 109.51 1sf8 s ASP 525 Ca -0.03 -0.15 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 1sf8 s ASP 525 Cb 0.11 0.37 0.03 0.00 -0.30 0.00 0.00 42.92 43.13 1sf8 s ASP 525 CO 0.82 -0.64 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.44 1sf8 s VAL 526 N -3.03 0.88 0.18 1.11 1.01 -1.26 -0.98 120.40 118.31 1sf8 s VAL 526 Ca 0.09 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1sf8 s VAL 526 Cb -0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1sf8 s VAL 526 CO -0.04 0.27 -0.11 -0.13 0.00 0.00 0.00 175.10 175.08 1sf8 s ARG 527 N 1.76 1.20 -0.09 2.72 0.52 -0.58 -5.00 118.95 119.49 1sf8 s ARG 527 Ca 0.04 -1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 53.59 1sf8 s ARG 527 Cb -0.13 -0.86 -0.05 0.00 0.52 0.00 0.00 34.95 34.43 1sf8 s ARG 527 CO -0.07 0.12 0.29 -0.51 0.02 0.00 0.00 175.30 175.14 1sf8 s LEU 528 N -3.25 4.38 0.19 2.53 1.43 -1.26 -1.80 118.68 120.89 1sf8 s LEU 528 Ca 0.20 0.68 0.10 0.00 -1.03 0.00 0.00 54.13 54.08 1sf8 s LEU 528 Cb 0.01 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1sf8 s LEU 528 CO 0.04 0.28 -0.16 0.28 0.23 0.00 0.00 176.35 177.02 1sf8 s THR 529 N -0.57 2.84 -0.48 5.49 -1.32 -0.47 -4.87 115.64 116.26 1sf8 s THR 529 Ca 0.19 -1.81 0.05 0.00 -1.21 0.00 0.00 61.69 58.91 1sf8 s THR 529 Cb -0.14 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 1sf8 s THR 529 CO 0.08 -0.11 0.48 1.41 -2.21 0.00 0.00 174.62 174.26 1sf8 n HIS 530 N 0.14 0.00 -0.39 9.09 -0.00 -1.26 -4.29 115.22 118.51 1sf8 n HIS 530 Ca -0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.47 1sf8 n HIS 530 Cb 0.56 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.67 1sf8 n HIS 530 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1sf8 n ARG 531 N -0.27 1.93 -4.32 -0.41 1.74 -1.26 -4.86 116.66 109.20 1sf8 n ARG 531 Ca 0.02 -1.90 -0.25 0.00 -0.77 0.00 0.00 57.85 54.95 1sf8 n ARG 531 Cb 0.11 -1.76 -0.13 0.00 -1.02 0.00 0.00 32.46 29.66 1sf8 n ARG 531 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sf8 s LEU 532 N -2.05 2.30 0.00 0.55 1.43 -1.26 -5.09 118.68 114.55 1sf8 s LEU 532 Ca 0.36 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1sf8 s LEU 532 Cb 0.30 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1sf8 s LEU 532 CO 0.07 0.08 0.00 0.41 0.23 0.00 0.00 176.35 177.14 1sf8 n THR 533 N 1.10 0.00 0.57 5.49 -1.04 -1.26 -4.89 114.28 114.25 1sf8 n THR 533 Ca -0.19 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.94 1sf8 n THR 533 Cb 0.53 -0.30 0.27 0.00 -1.82 0.00 0.00 70.33 69.02 1sf8 n THR 533 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1sf8 h ASP 534 N 0.00 0.00 -3.63 8.00 3.32 -2.00 -3.44 116.42 118.67 1sf8 h ASP 534 Ca 0.00 -0.10 -0.60 0.00 0.02 0.00 0.00 57.03 56.35 1sf8 h ASP 534 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1sf8 h ASP 534 CO 0.00 0.05 0.55 -0.89 -1.72 0.00 0.00 179.24 177.24 1sf8 s THR 535 N -3.14 4.52 0.41 0.35 2.01 -1.26 -4.93 115.64 113.59 1sf8 s THR 535 Ca 0.08 0.78 0.09 0.00 0.31 0.00 0.00 61.69 62.95 1sf8 s THR 535 Cb 0.12 -4.40 0.22 0.00 0.01 0.00 0.00 72.50 68.45 1sf8 s THR 535 CO 0.66 -0.76 2.00 1.55 -0.69 0.00 0.00 174.62 177.38 1sf8 h PRO 536 N 8.96 0.38 -3.85 4.92 0.13 -1.92 -3.42 132.00 137.20 1sf8 h PRO 536 Ca -0.24 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1sf8 h PRO 536 Cb 1.08 -0.07 -0.15 0.00 0.13 0.00 0.00 31.00 31.99 1sf8 h PRO 536 CO 1.01 0.34 -0.42 0.00 -0.23 0.00 0.00 178.00 178.70 1sf8 s ALA 537 N -5.14 -0.13 0.19 -0.56 0.00 -1.26 -0.65 121.76 114.21 1sf8 s ALA 537 Ca -0.07 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1sf8 s ALA 537 Cb 0.16 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1sf8 s ALA 537 CO 0.73 -0.47 0.42 -1.50 0.00 0.00 0.00 175.76 174.94 1sf8 s ILE 538 N -3.71 0.04 0.12 0.00 2.07 0.50 -4.59 121.20 115.62 1sf8 s ILE 538 Ca 0.04 -1.11 0.04 0.00 -1.41 0.00 0.00 60.65 58.22 1sf8 s ILE 538 Cb 0.05 -1.76 -0.04 0.00 0.13 0.00 0.00 42.46 40.84 1sf8 s ILE 538 CO -0.10 -0.18 -0.11 0.54 -1.91 0.00 0.00 174.94 173.18 1sf8 s VAL 539 N -3.93 1.08 0.33 4.00 0.11 -1.26 -0.51 120.40 120.22 1sf8 s VAL 539 Ca 0.14 -1.80 -0.18 0.00 -2.93 0.00 0.00 61.98 57.21 1sf8 s VAL 539 Cb 0.01 -1.56 0.06 0.00 -1.53 0.00 0.00 36.38 33.36 1sf8 s VAL 539 CO -0.00 -0.60 0.85 -0.94 -3.33 0.00 0.00 175.10 171.08 1sf8 s SER 540 N -2.70 -0.02 0.11 3.54 1.04 -1.07 -4.93 113.70 109.67 1sf8 s SER 540 Ca 0.10 -0.98 0.05 0.00 0.48 0.00 0.00 55.95 55.60 1sf8 s SER 540 Cb -0.01 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.82 1sf8 s SER 540 CO 0.01 -1.48 -0.13 0.42 0.98 0.00 0.00 173.24 173.03 1sf8 s THR 541 N -2.39 1.17 0.44 2.02 -4.23 -1.26 -0.52 115.64 110.87 1sf8 s THR 541 Ca 0.17 -1.63 -0.23 0.00 -1.18 0.00 0.00 61.69 58.82 1sf8 s THR 541 Cb -0.04 -1.40 -0.08 0.00 1.34 0.00 0.00 72.50 72.31 1sf8 s THR 541 CO 0.09 -0.43 1.08 -1.81 -0.54 0.00 0.00 174.62 173.01 1sf8 s ASP 542 N -2.34 6.49 0.00 3.99 1.01 -1.26 -4.88 116.67 119.68 1sf8 s ASP 542 Ca 0.06 2.08 0.00 0.00 0.71 0.00 0.00 52.55 55.40 1sf8 s ASP 542 Cb -0.05 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1sf8 s ASP 542 CO 0.02 -0.69 0.84 0.00 0.21 0.00 0.00 175.17 175.56 1sf8 n ALA 543 N -0.42 0.67 0.04 5.23 0.00 -1.26 -1.19 120.51 123.58 1sf8 n ALA 543 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1sf8 n ALA 543 Cb 0.50 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.34 2.73 0.00 0.00 8.00 -1.26 -5.13 116.55 119.55 1sf8 n ASP 544 Ca -0.00 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1sf8 n ASP 544 Cb 0.17 1.35 0.00 0.00 -0.02 0.00 0.00 41.12 42.62 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 -1.73 0.00 -3.73 -1.24 1.02 -0.33 -5.27 120.64 109.36 1sf8 n GLU 545 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1sf8 n GLU 545 Cb 0.21 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.59 1sf8 n GLU 545 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1sf8 s SER 547 N -1.00 -0.23 0.16 1.62 1.04 -1.26 -4.77 113.70 109.26 1sf8 s SER 547 Ca 0.00 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 1sf8 s SER 547 Cb 0.00 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.72 1sf8 s SER 547 CO 0.00 -0.98 1.79 0.74 0.98 0.00 0.00 173.24 175.77 1sf8 h THR 548 N 2.27 0.99 0.00 2.02 2.02 -1.99 -1.61 112.91 116.63 1sf8 h THR 548 Ca -0.31 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1sf8 h THR 548 Cb 1.26 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1sf8 h THR 548 CO 0.41 0.08 0.00 1.67 0.37 0.00 0.00 175.52 178.05 1sf8 n GLN 549 N -4.90 0.10 0.00 6.66 7.27 -1.26 -2.27 117.38 122.98 1sf8 n GLN 549 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1sf8 n GLN 549 Cb 0.09 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.40 1sf8 n GLN 549 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sf8 n ALA 551 N 0.81 0.00 -0.17 1.69 0.00 -0.61 -2.86 120.51 119.37 1sf8 n ALA 551 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1sf8 n ALA 551 Cb 0.05 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.65 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 0.93 0.35 0.00 1.57 -1.73 -2.75 116.57 114.94 1sf8 h LYS 552 Ca 0.00 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1sf8 h LYS 552 Cb 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1sf8 h LYS 552 CO 0.00 0.81 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.43 1sf8 h LEU 553 N 0.90 -0.47 -0.74 2.94 3.38 -1.84 -1.53 115.31 117.96 1sf8 h LEU 553 Ca 0.20 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.36 1sf8 h LEU 553 Cb 0.29 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.04 1sf8 h LEU 553 CO -0.01 -0.32 0.02 -0.26 0.09 0.00 0.00 178.44 177.97 1sf8 h PHE 554 N -0.51 -0.03 -0.36 1.13 -1.00 -1.84 0.31 116.94 114.64 1sf8 h PHE 554 Ca -0.04 0.05 0.03 0.00 2.81 0.00 0.00 57.97 60.82 1sf8 h PHE 554 Cb 0.41 0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 1sf8 h PHE 554 CO -0.07 -0.22 0.17 0.00 -1.61 0.00 0.00 178.31 176.58 1sf8 h ALA 555 N 1.68 0.44 -0.02 2.45 0.00 -1.21 -1.15 119.26 121.45 1sf8 h ALA 555 Ca 0.40 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1sf8 h ALA 555 Cb 0.70 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1sf8 h ALA 555 CO -0.64 -0.21 0.03 0.00 0.00 0.00 0.00 179.25 178.43 1sf8 h ALA 556 N 1.20 1.49 -0.09 0.00 0.00 0.59 0.13 119.26 122.58 1sf8 h ALA 556 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sf8 h ALA 556 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sf8 h ALA 556 CO -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1sf8 n ALA 557 N -2.29 2.55 -1.20 0.00 0.00 -0.36 -4.92 120.51 114.30 1sf8 n ALA 557 Ca -0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 53.44 52.87 1sf8 n ALA 557 Cb 0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 1.15 0.90 3.98 0.00 0.00 0.44 -5.03 105.19 106.64 1sf8 n GLY 558 Ca 0.18 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.47 2.66 -0.92 1.61 -1.52 -0.87 -5.00 119.66 113.14 1sf8 s GLN 559 Ca 0.00 -0.92 -0.23 0.00 -1.95 0.00 0.00 55.36 52.27 1sf8 s GLN 559 Cb 0.00 -2.58 0.07 0.00 -0.22 0.00 0.00 33.01 30.28 1sf8 s GLN 559 CO 0.00 -0.55 1.31 0.15 -0.25 0.00 0.00 175.29 175.95 1sf8 s LYS 560 N -4.62 3.48 -0.23 2.91 -0.14 -1.26 -4.44 119.74 115.44 1sf8 s LYS 560 Ca 0.56 -1.09 -0.36 0.00 -1.36 0.00 0.00 55.97 53.72 1sf8 s LYS 560 Cb -0.10 -4.96 -0.12 0.00 -1.68 0.00 0.00 37.83 30.96 1sf8 s LYS 560 CO 0.37 -2.07 1.95 0.28 -0.76 0.00 0.00 175.35 175.12 1sf8 n VAL 561 N 6.41 0.37 -0.59 3.17 0.31 -1.26 -4.94 118.33 121.80 1sf8 n VAL 561 Ca 0.23 -0.15 -0.28 0.00 -0.01 0.00 0.00 64.34 64.12 1sf8 n VAL 561 Cb 0.50 -1.64 0.25 0.00 -0.91 0.00 0.00 33.84 32.04 1sf8 n VAL 561 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1sf8 s PRO 562 N 4.69 -0.87 0.89 5.55 0.02 -1.26 -4.98 135.00 139.05 1sf8 s PRO 562 Ca 1.00 0.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.72 1sf8 s PRO 562 Cb -0.84 -1.56 0.13 0.00 0.02 0.00 0.00 34.50 32.24 1sf8 s PRO 562 CO 0.55 -3.68 1.09 -2.00 -0.33 0.00 0.00 177.00 172.63 1sf8 s GLU 563 N -4.50 1.28 -0.32 5.54 2.12 -1.26 -5.04 118.70 116.52 1sf8 s GLU 563 Ca 0.68 0.78 -0.01 0.00 0.36 0.00 0.00 54.97 56.79 1sf8 s GLU 563 Cb -0.25 -1.81 0.10 0.00 0.26 0.00 0.00 34.13 32.43 1sf8 s GLU 563 CO 0.64 -2.22 0.11 0.08 -0.54 0.00 0.00 175.26 173.34 1sf8 s VAL 564 N -2.96 0.77 -0.30 3.70 1.01 -1.26 -5.05 120.40 116.32 1sf8 s VAL 564 Ca 0.63 -1.40 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1sf8 s VAL 564 Cb -0.18 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 1sf8 s VAL 564 CO 0.57 -0.71 0.78 -0.54 0.00 0.00 0.00 175.10 175.20 1sf8 s LYS 565 N 1.58 3.99 0.77 2.72 -0.14 -1.26 -5.04 119.74 122.36 1sf8 s LYS 565 Ca 0.10 0.61 -0.06 0.00 -1.36 0.00 0.00 55.97 55.26 1sf8 s LYS 565 Cb -0.18 -3.72 0.16 0.00 -1.68 0.00 0.00 37.83 32.42 1sf8 s LYS 565 CO -0.24 -0.65 1.05 0.66 -0.76 0.00 0.00 175.35 175.41 1sf8 n TYR 566 N 6.16 -3.39 -3.86 3.18 4.02 -1.26 -4.62 117.16 117.39 1sf8 n TYR 566 Ca 0.04 -1.41 -0.30 0.00 -0.01 0.00 0.00 57.90 56.22 1sf8 n TYR 566 Cb 0.48 -0.79 -0.15 0.00 -0.02 0.00 0.00 39.34 38.86 1sf8 n TYR 566 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1sf8 s ILE 567 N -3.19 1.43 -0.07 -0.72 1.01 0.32 0.51 121.20 120.49 1sf8 s ILE 567 Ca 0.65 -1.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1sf8 s ILE 567 Cb -0.03 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1sf8 s ILE 567 CO 0.44 -0.53 1.46 0.12 0.00 0.00 0.00 174.94 176.43 1sf8 s PHE 568 N 1.35 2.51 -0.12 3.97 5.36 -0.15 -2.59 117.98 128.31 1sf8 s PHE 568 Ca 0.07 0.63 0.02 0.00 -0.96 0.00 0.00 56.93 56.69 1sf8 s PHE 568 Cb -0.18 -3.72 -0.00 0.00 -0.34 0.00 0.00 43.02 38.78 1sf8 s PHE 568 CO -0.16 -2.78 -0.20 -1.21 -1.46 0.00 0.00 175.22 169.41 1sf8 s GLU 569 N 3.34 3.13 0.03 10.12 2.02 0.34 -1.52 118.70 136.16 1sf8 s GLU 569 Ca 0.65 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.87 1sf8 s GLU 569 Cb -0.29 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 1sf8 s GLU 569 CO 0.24 0.12 -0.10 -0.51 0.02 0.00 0.00 175.26 175.03 1sf8 s LEU 570 N 0.51 2.99 -0.59 1.80 1.02 -0.74 -0.37 118.68 123.30 1sf8 s LEU 570 Ca -0.13 -0.26 -0.21 0.00 0.02 0.00 0.00 54.13 53.54 1sf8 s LEU 570 Cb -0.17 -1.74 0.07 0.00 0.02 0.00 0.00 46.19 44.37 1sf8 s LEU 570 CO 0.05 0.26 0.84 0.21 0.02 0.00 0.00 176.35 177.72 1sf8 s ASN 571 N -1.55 6.22 0.66 2.29 2.47 0.17 -1.37 114.94 123.83 1sf8 s ASN 571 Ca 0.17 -0.92 0.44 0.00 0.42 0.00 0.00 52.86 52.98 1sf8 s ASN 571 Cb -0.11 -2.37 2.39 0.00 -1.45 0.00 0.00 41.25 39.70 1sf8 s ASN 571 CO 0.08 -1.22 2.35 1.55 -3.72 0.00 0.00 177.10 176.14 1sf8 h PRO 572 N 9.32 0.00 -0.23 0.43 0.13 -1.88 -2.17 132.00 137.61 1sf8 h PRO 572 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1sf8 h PRO 572 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1sf8 h PRO 572 CO 1.10 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.62 1sf8 n ASP 573 N -3.06 2.48 -4.69 1.44 8.00 -1.26 -4.62 116.55 114.84 1sf8 n ASP 573 Ca -0.03 -1.84 -0.38 0.00 0.71 0.00 0.00 54.79 53.25 1sf8 n ASP 573 Cb 0.08 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.72 3.43 0.16 1.24 2.46 -0.82 -4.99 115.29 115.07 1sf8 s HIS 574 Ca 0.35 0.80 -0.24 0.00 0.47 0.00 0.00 55.06 56.43 1sf8 s HIS 574 Cb 0.20 -2.60 0.02 0.00 -0.13 0.00 0.00 32.58 30.07 1sf8 s HIS 574 CO 0.29 0.02 1.39 0.28 -2.47 0.00 0.00 174.74 174.26 1sf8 n VAL 575 N 4.15 -0.57 -0.26 0.89 0.31 -1.26 0.13 118.33 121.72 1sf8 n VAL 575 Ca -0.06 2.16 0.11 0.00 -0.01 0.00 0.00 64.34 66.54 1sf8 n VAL 575 Cb 0.51 -2.72 0.38 0.00 -0.91 0.00 0.00 33.84 31.09 1sf8 n VAL 575 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sf8 h LEU 576 N 0.00 0.65 -0.22 7.52 3.38 -1.95 0.43 115.31 125.13 1sf8 h LEU 576 Ca 0.19 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 1sf8 h LEU 576 Cb 0.42 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1sf8 h LEU 576 CO -0.86 0.34 -0.38 0.58 0.09 0.00 0.00 178.44 178.21 1sf8 h VAL 577 N 0.70 1.32 0.03 1.22 2.07 -0.58 -2.06 116.25 118.95 1sf8 h VAL 577 Ca 0.43 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1sf8 h VAL 577 Cb 0.67 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1sf8 h VAL 577 CO -0.19 0.50 -0.02 0.11 0.02 0.00 0.00 177.57 177.99 1sf8 h LYS 578 N 0.34 -0.04 -0.44 1.57 1.57 -0.15 -1.71 116.57 117.70 1sf8 h LYS 578 Ca 0.01 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1sf8 h LYS 578 Cb 0.98 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1sf8 h LYS 578 CO 0.09 0.10 0.38 -0.09 -0.57 0.00 0.00 179.45 179.36 1sf8 h ARG 579 N -0.18 0.00 0.00 3.15 2.43 -0.16 0.52 114.38 120.14 1sf8 h ARG 579 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sf8 h ARG 579 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sf8 h ARG 579 CO 0.01 0.00 -0.11 0.00 -1.51 0.00 0.00 179.97 178.35 1sf8 n ALA 580 N -2.48 2.55 -0.03 2.80 0.00 -0.68 -3.47 120.51 119.21 1sf8 n ALA 580 Ca 0.08 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 1sf8 n ALA 580 Cb 0.58 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 1sf8 n ALA 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sf8 h ALA 581 N 2.89 0.33 0.00 0.00 0.00 0.38 -3.34 119.26 119.52 1sf8 h ALA 581 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1sf8 h ALA 581 Cb 0.55 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sf8 h ALA 581 CO 0.00 1.03 0.00 -0.25 0.00 0.00 0.00 179.25 180.03 1sf8 n ASP 582 N -3.86 0.00 -4.56 0.00 8.00 -1.01 -4.49 116.55 110.63 1sf8 n ASP 582 Ca -0.31 0.04 -0.40 0.00 0.71 0.00 0.00 54.79 54.84 1sf8 n ASP 582 Cb 0.91 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1sf8 n ASP 582 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sf8 s THR 583 N -2.60 3.92 -1.20 -3.53 2.01 -1.23 -4.79 115.64 108.22 1sf8 s THR 583 Ca 0.18 -0.92 0.16 0.00 0.31 0.00 0.00 61.69 61.41 1sf8 s THR 583 Cb 0.13 -5.01 0.20 0.00 0.01 0.00 0.00 72.50 67.82 1sf8 s THR 583 CO 0.30 -1.88 1.47 -0.62 -0.69 0.00 0.00 174.62 173.20 1sf8 n GLU 584 N 8.80 0.11 -2.74 4.92 1.02 -1.26 -4.63 120.64 126.86 1sf8 n GLU 584 Ca 0.36 0.19 -0.40 0.00 -0.02 0.00 0.00 57.16 57.29 1sf8 n GLU 584 Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 1sf8 n GLU 584 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sf8 s ASP 585 N -2.80 7.62 0.01 1.62 2.15 -1.26 -5.01 116.67 119.00 1sf8 s ASP 585 Ca 0.11 1.96 -0.19 0.00 0.43 0.00 0.00 52.55 54.86 1sf8 s ASP 585 Cb 0.10 -2.61 -0.10 0.00 -0.30 0.00 0.00 42.92 40.01 1sf8 s ASP 585 CO 0.26 0.14 0.97 -0.33 -0.17 0.00 0.00 175.17 176.04 1sf8 h GLU 586 N 4.09 -0.65 0.03 4.34 4.39 -1.99 -2.33 114.58 122.45 1sf8 h GLU 586 Ca -0.45 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.32 1sf8 h GLU 586 Cb 1.20 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.95 1sf8 h GLU 586 CO 0.68 -0.44 -0.40 0.00 -1.16 0.00 0.00 179.01 177.69 1sf8 h ALA 587 N -1.46 -0.65 -0.83 3.43 0.00 -1.98 0.28 119.26 118.06 1sf8 h ALA 587 Ca -0.07 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.96 1sf8 h ALA 587 Cb 0.52 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1sf8 h ALA 587 CO 0.11 -0.94 0.55 -0.22 0.00 0.00 0.00 179.25 178.75 1sf8 h LYS 588 N -0.57 0.44 0.25 0.00 1.63 -1.96 -0.57 116.57 115.78 1sf8 h LYS 588 Ca 0.04 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1sf8 h LYS 588 Cb 0.64 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1sf8 h LYS 588 CO -0.29 0.29 -0.12 0.35 -3.45 0.00 0.00 179.45 176.24 1sf8 h PHE 589 N 0.46 -0.31 -0.47 1.91 3.57 -0.73 -2.85 116.94 118.52 1sf8 h PHE 589 Ca 0.42 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.04 1sf8 h PHE 589 Cb 0.94 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1sf8 h PHE 589 CO -0.00 0.06 0.46 1.03 -2.23 0.00 0.00 178.31 177.63 1sf8 h SER 590 N -0.78 0.00 -0.02 0.41 0.87 0.17 -0.95 113.55 113.25 1sf8 h SER 590 Ca -0.03 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1sf8 h SER 590 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1sf8 h SER 590 CO 0.06 0.00 -0.06 -0.33 -0.53 0.00 0.00 176.83 175.97 1sf8 h GLU 591 N 0.00 0.08 -0.67 2.24 5.08 -1.00 -2.68 114.58 117.63 1sf8 h GLU 591 Ca 0.22 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1sf8 h GLU 591 Cb 1.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1sf8 h GLU 591 CO -0.00 0.67 0.29 -1.49 -1.00 0.00 0.00 179.01 177.48 1sf8 h TRP 592 N -0.51 0.97 -0.04 4.33 4.06 -0.97 -1.33 115.95 122.47 1sf8 h TRP 592 Ca -0.00 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 1sf8 h TRP 592 Cb 0.68 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1sf8 h TRP 592 CO 0.14 0.73 0.01 0.28 -3.56 0.00 0.00 178.44 176.04 1sf8 h VAL 593 N 0.96 1.21 -0.89 1.49 2.07 -1.47 -0.41 116.25 119.21 1sf8 h VAL 593 Ca 0.23 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1sf8 h VAL 593 Cb 0.15 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1sf8 h VAL 593 CO -0.02 0.17 0.58 -0.33 0.02 0.00 0.00 177.57 177.99 1sf8 h GLU 594 N -0.18 1.00 0.12 1.57 4.39 -1.26 0.65 114.58 120.88 1sf8 h GLU 594 Ca 0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1sf8 h GLU 594 Cb 0.27 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1sf8 h GLU 594 CO 0.00 0.66 -0.06 1.25 -1.16 0.00 0.00 179.01 179.71 1sf8 h LEU 595 N 1.03 -0.14 -0.57 1.33 5.85 -1.03 -1.08 115.31 120.71 1sf8 h LEU 595 Ca 0.38 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1sf8 h LEU 595 Cb 0.16 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1sf8 h LEU 595 CO -0.13 0.16 0.16 -0.07 -0.34 0.00 0.00 178.44 178.22 1sf8 h LEU 596 N -0.45 0.84 -0.53 2.25 3.38 -0.52 0.11 115.31 120.39 1sf8 h LEU 596 Ca -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1sf8 h LEU 596 Cb 0.36 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1sf8 h LEU 596 CO 0.03 0.84 0.34 0.25 0.09 0.00 0.00 178.44 179.99 1sf8 h LEU 597 N 0.80 0.62 -0.51 1.67 5.85 0.29 -0.50 115.31 123.53 1sf8 h LEU 597 Ca 0.18 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 1sf8 h LEU 597 Cb 0.31 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1sf8 h LEU 597 CO -0.00 0.47 -0.06 0.44 -0.34 0.00 0.00 178.44 178.95 1sf8 h ASP 598 N 0.72 0.93 -0.49 1.25 3.32 -0.94 -0.28 116.42 120.93 1sf8 h ASP 598 Ca 0.19 -0.33 0.08 0.00 0.02 0.00 0.00 57.03 56.99 1sf8 h ASP 598 Cb -0.06 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.17 1sf8 h ASP 598 CO -0.04 1.04 0.13 1.56 -1.72 0.00 0.00 179.24 180.21 1sf8 h GLN 599 N 0.80 0.27 -0.49 3.56 4.20 -0.27 0.64 115.11 123.81 1sf8 h GLN 599 Ca 0.14 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1sf8 h GLN 599 Cb 0.60 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1sf8 h GLN 599 CO 0.04 0.18 -0.06 0.00 -0.67 0.00 0.00 178.83 178.31 1sf8 h ALA 600 N 1.36 0.96 -0.40 3.87 0.00 -0.87 -0.86 119.26 123.33 1sf8 h ALA 600 Ca 0.24 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1sf8 h ALA 600 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1sf8 h ALA 600 CO -0.29 0.62 -0.26 -0.07 0.00 0.00 0.00 179.25 179.25 1sf8 h LEU 601 N 0.79 0.92 -0.31 0.00 3.38 0.09 -1.57 115.31 118.61 1sf8 h LEU 601 Ca 0.14 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1sf8 h LEU 601 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1sf8 h LEU 601 CO 0.03 1.15 0.11 0.25 0.09 0.00 0.00 178.44 180.07 1sf8 h LEU 602 N 0.69 0.44 -1.45 1.67 5.85 0.42 0.31 115.31 123.24 1sf8 h LEU 602 Ca 0.08 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1sf8 h LEU 602 Cb 0.83 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1sf8 h LEU 602 CO 0.07 0.51 0.12 0.00 -0.34 0.00 0.00 178.44 178.80 1sf8 h ALA 603 N 0.94 1.57 0.12 1.25 0.00 -1.08 0.60 119.26 122.66 1sf8 h ALA 603 Ca 0.10 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1sf8 h ALA 603 Cb 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1sf8 h ALA 603 CO -0.01 0.33 -0.74 1.49 0.00 0.00 0.00 179.25 180.33 1sf8 h GLU 604 N 0.49 0.26 0.00 0.00 4.57 -0.92 -3.39 114.58 115.59 1sf8 h GLU 604 Ca 0.12 -0.44 -0.09 0.00 -1.18 0.00 0.00 59.36 57.77 1sf8 h GLU 604 Cb 0.13 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1sf8 h GLU 604 CO -0.01 1.21 -1.91 0.54 -1.18 0.00 0.00 179.01 177.66 1sf8 n ARG 605 N -4.18 0.66 -0.94 1.92 1.74 0.11 -4.96 116.66 111.00 1sf8 n ARG 605 Ca -0.14 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1sf8 n ARG 605 Cb 0.78 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 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 1.36 0.96 3.34 -0.13 0.00 0.21 -4.97 105.19 105.96 1sf8 n GLY 606 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1sf8 n GLY 606 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sf8 s THR 607 N -3.83 0.05 0.06 2.61 -4.23 -1.26 -5.02 115.64 104.03 1sf8 s THR 607 Ca 0.00 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.12 1sf8 s THR 607 Cb 0.00 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 1sf8 s THR 607 CO 0.00 -0.25 -0.17 -0.76 -0.54 0.00 0.00 174.62 172.90 1sf8 s LEU 608 N -2.79 2.22 0.00 4.79 1.43 -1.26 -4.51 118.68 118.56 1sf8 s LEU 608 Ca 0.03 -0.56 0.19 0.00 -1.03 0.00 0.00 54.13 52.76 1sf8 s LEU 608 Cb 0.01 -0.75 0.90 0.00 0.03 0.00 0.00 46.19 46.38 1sf8 s LEU 608 CO -0.12 0.05 1.61 1.21 0.23 0.00 0.00 176.35 179.33 1sf8 n GLU 609 N 1.57 0.14 -2.83 1.70 2.13 -1.26 -3.96 120.64 118.12 1sf8 n GLU 609 Ca -0.19 0.14 -0.11 0.00 0.66 0.00 0.00 57.16 57.66 1sf8 n GLU 609 Cb 0.54 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.78 1sf8 n GLU 609 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1sf8 n ASP 610 N -1.40 -2.38 -0.13 4.31 -0.08 -1.26 -5.03 116.55 110.58 1sf8 n ASP 610 Ca 0.07 -3.18 -0.05 0.00 -1.51 0.00 0.00 54.79 50.12 1sf8 n ASP 610 Cb 0.19 1.39 0.02 0.00 2.34 0.00 0.00 41.12 45.06 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 4.05 -0.04 -0.89 -0.67 0.11 -2.00 -2.38 132.00 130.19 1sf8 h PRO 611 Ca -0.10 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.16 1sf8 h PRO 611 Cb 1.01 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 1sf8 h PRO 611 CO 0.34 -0.03 0.57 -0.91 -0.21 0.00 0.00 178.00 177.77 1sf8 h ASN 612 N -0.04 0.64 -0.21 -2.05 2.35 -1.95 0.73 115.58 115.05 1sf8 h ASN 612 Ca 0.20 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1sf8 h ASN 612 Cb 0.35 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1sf8 h ASN 612 CO -0.45 0.32 0.06 0.25 -1.65 0.00 0.00 177.43 175.96 1sf8 h LEU 613 N 0.68 0.31 -1.25 1.61 5.85 -1.86 -0.71 115.31 119.92 1sf8 h LEU 613 Ca 0.45 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1sf8 h LEU 613 Cb 0.74 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1sf8 h LEU 613 CO -0.20 0.44 0.48 0.15 -0.34 0.00 0.00 178.44 178.97 1sf8 h PHE 614 N 0.15 0.94 -0.27 1.25 3.57 -0.96 -2.03 116.94 119.58 1sf8 h PHE 614 Ca 0.07 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1sf8 h PHE 614 Cb 0.25 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1sf8 h PHE 614 CO 0.01 0.60 0.00 0.82 -2.23 0.00 0.00 178.31 177.51 1sf8 h ILE 615 N 1.00 1.25 -1.01 1.41 2.04 -0.50 -2.96 117.51 118.75 1sf8 h ILE 615 Ca 0.27 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1sf8 h ILE 615 Cb -0.10 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1sf8 h ILE 615 CO -0.06 0.29 0.66 0.03 0.00 0.00 0.00 178.15 179.07 1sf8 h ARG 616 N 0.26 1.25 -0.85 2.37 3.08 -0.75 -2.15 114.38 117.59 1sf8 h ARG 616 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sf8 h ARG 616 Cb 0.42 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1sf8 h ARG 616 CO 0.01 0.82 0.00 0.54 -1.07 0.00 0.00 179.97 180.28 1sf8 n ARG 617 N -4.43 0.13 0.00 0.04 1.74 -0.80 -1.84 116.66 111.50 1sf8 n ARG 617 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1sf8 n ARG 617 Cb 0.09 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1sf8 n ARG 617 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1sf8 n ASN 619 N 0.64 0.00 0.41 0.55 3.02 -0.81 -1.95 115.26 117.13 1sf8 n ASN 619 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1sf8 n ASN 619 Cb 0.05 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.07 -0.05 3.52 4.20 -1.64 -1.17 115.11 118.90 1sf8 h GLN 620 Ca 0.00 0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.80 1sf8 h GLN 620 Cb 0.00 0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1sf8 h GLN 620 CO 0.00 -0.71 0.26 -0.07 -0.67 0.00 0.00 178.83 177.64 1sf8 h LEU 621 N -1.11 0.00 0.16 1.46 3.38 -1.67 0.70 115.31 118.24 1sf8 h LEU 621 Ca -0.10 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.58 1sf8 h LEU 621 Cb 0.88 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.64 1sf8 h LEU 621 CO 0.12 0.00 -1.33 -0.07 0.09 0.00 0.00 178.44 177.25 1sf8 h LEU 622 N 0.00 0.54 0.00 1.67 3.38 -1.53 -3.39 115.31 115.98 1sf8 h LEU 622 Ca 0.02 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1sf8 h LEU 622 Cb 0.55 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1sf8 h LEU 622 CO -0.00 1.46 0.00 0.52 0.09 0.00 0.00 178.44 180.51 1sf8 n VAL 623 N -3.58 0.00 0.00 1.22 0.31 0.23 -5.09 118.33 111.42 1sf8 n VAL 623 Ca -0.11 0.57 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 1sf8 n VAL 623 Cb 1.05 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1sf8 n VAL 623 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97