#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 -0.78 -0.18 0.66 3.57 -1.99 -1.94 116.94 116.29 1sf8 h PHE 511 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1sf8 h PHE 511 Cb 0.00 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 1sf8 h PHE 511 CO 0.00 -0.44 -0.25 0.82 -2.23 0.00 0.00 178.31 176.21 1sf8 h ILE 512 N -0.69 0.39 -0.36 1.41 2.04 -1.99 0.66 117.51 118.96 1sf8 h ILE 512 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1sf8 h ILE 512 Cb 0.59 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1sf8 h ILE 512 CO 0.01 0.00 0.26 0.44 0.00 0.00 0.00 178.15 178.85 1sf8 h ASP 513 N -0.30 0.07 0.07 1.72 3.32 -1.93 0.56 116.42 119.93 1sf8 h ASP 513 Ca 0.11 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 1sf8 h ASP 513 Cb 0.47 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1sf8 h ASP 513 CO -0.35 0.05 -0.51 -0.09 -1.72 0.00 0.00 179.24 176.62 1sf8 h ARG 514 N 0.08 0.50 -0.11 3.56 2.43 -0.13 -1.47 114.38 119.24 1sf8 h ARG 514 Ca 0.17 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1sf8 h ARG 514 Cb 0.57 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1sf8 h ARG 514 CO -0.02 0.89 -0.37 0.28 -1.51 0.00 0.00 179.97 179.25 1sf8 h VAL 515 N 0.39 1.38 -0.96 0.20 2.07 0.64 -2.91 116.25 117.06 1sf8 h VAL 515 Ca 0.01 -1.69 0.11 0.00 0.82 0.00 0.00 66.70 65.96 1sf8 h VAL 515 Cb 1.04 2.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.88 1sf8 h VAL 515 CO 0.09 0.50 0.60 0.11 0.02 0.00 0.00 177.57 178.89 1sf8 h LYS 516 N 0.02 0.94 -0.31 1.57 1.57 -0.93 0.92 116.57 120.35 1sf8 h LYS 516 Ca -0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1sf8 h LYS 516 Cb 0.99 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1sf8 h LYS 516 CO 0.08 0.62 -0.02 0.00 -0.57 0.00 0.00 179.45 179.56 1sf8 h ALA 517 N 1.51 1.40 0.16 3.86 0.00 -1.22 0.22 119.26 125.20 1sf8 h ALA 517 Ca 0.47 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 1sf8 h ALA 517 Cb 0.43 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.11 1sf8 h ALA 517 CO -0.25 0.42 -1.31 1.25 0.00 0.00 0.00 179.25 179.35 1sf8 h LEU 518 N 0.45 0.79 0.06 0.00 5.85 -0.69 -3.38 115.31 118.40 1sf8 h LEU 518 Ca 0.10 -0.77 -0.20 0.00 0.84 0.00 0.00 57.88 57.85 1sf8 h LEU 518 Cb 0.33 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1sf8 h LEU 518 CO 0.01 1.59 -1.02 -0.07 -0.34 0.00 0.00 178.44 178.61 1sf8 h LEU 519 N 0.20 0.20 0.00 2.25 3.38 -1.06 -3.49 115.31 116.80 1sf8 h LEU 519 Ca -0.20 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.97 1sf8 h LEU 519 Cb 1.99 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1sf8 h LEU 519 CO 0.24 1.43 0.00 0.61 0.09 0.00 0.00 178.44 180.82 1sf8 n GLY 520 N 1.63 2.77 0.02 0.83 0.00 0.78 -2.37 105.19 108.85 1sf8 n GLY 520 Ca -0.23 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1sf8 n GLY 520 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sf8 n GLU 521 N 13.37 0.03 0.25 1.61 1.02 -1.26 -3.10 120.64 132.56 1sf8 n GLU 521 Ca 0.00 0.20 0.17 0.00 -0.02 0.00 0.00 57.16 57.51 1sf8 n GLU 521 Cb 0.00 -1.55 0.88 0.00 -0.02 0.00 0.00 31.44 30.75 1sf8 n GLU 521 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sf8 h ARG 522 N 0.00 0.00 -5.00 3.49 3.08 -1.87 -3.41 114.38 110.66 1sf8 h ARG 522 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1sf8 h ARG 522 Cb 0.35 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.23 1sf8 h ARG 522 CO 0.00 0.00 -0.73 0.08 -1.07 0.00 0.00 179.97 178.25 1sf8 s VAL 523 N -4.58 0.98 0.13 2.04 1.01 -1.18 -4.74 120.40 114.07 1sf8 s VAL 523 Ca -0.05 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.18 1sf8 s VAL 523 Cb 0.15 -1.39 -0.13 0.00 0.00 0.00 0.00 36.38 35.00 1sf8 s VAL 523 CO 0.53 -0.55 1.36 0.50 0.00 0.00 0.00 175.10 176.93 1sf8 h LYS 524 N 3.53 0.68 -1.95 2.72 3.64 -0.74 -3.46 116.57 120.99 1sf8 h LYS 524 Ca -0.37 -0.54 0.18 0.00 -1.27 0.00 0.00 60.65 58.64 1sf8 h LYS 524 Cb 1.19 0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 32.96 1sf8 h LYS 524 CO 0.53 1.16 0.63 0.34 -2.27 0.00 0.00 179.45 179.84 1sf8 s ASP 525 N -7.05 -0.25 -0.08 4.20 2.15 -1.25 -5.03 116.67 109.36 1sf8 s ASP 525 Ca -0.09 -0.03 0.04 0.00 0.43 0.00 0.00 52.55 52.89 1sf8 s ASP 525 Cb 0.09 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 1sf8 s ASP 525 CO 0.88 -0.48 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.52 1sf8 s VAL 526 N -2.84 1.70 0.12 1.11 1.01 -1.26 -0.79 120.40 119.45 1sf8 s VAL 526 Ca 0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1sf8 s VAL 526 Cb -0.01 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1sf8 s VAL 526 CO -0.06 0.48 0.13 -0.13 0.00 0.00 0.00 175.10 175.52 1sf8 s ARG 527 N 0.41 0.92 0.01 2.72 0.52 -0.35 -4.99 118.95 118.18 1sf8 s ARG 527 Ca -0.16 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 53.82 1sf8 s ARG 527 Cb -0.17 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 1sf8 s ARG 527 CO 0.07 -0.28 0.15 -0.51 0.02 0.00 0.00 175.30 174.75 1sf8 s LEU 528 N -2.96 4.20 0.27 2.53 1.43 -1.26 -0.59 118.68 122.30 1sf8 s LEU 528 Ca 0.15 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1sf8 s LEU 528 Cb 0.06 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1sf8 s LEU 528 CO -0.04 0.25 0.11 0.42 0.23 0.00 0.00 176.35 177.32 1sf8 s THR 529 N -1.32 0.50 0.00 5.49 -4.23 -0.20 -4.85 115.64 111.03 1sf8 s THR 529 Ca 0.27 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1sf8 s THR 529 Cb -0.12 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1sf8 s THR 529 CO 0.19 0.00 0.26 1.41 -0.54 0.00 0.00 174.62 175.94 1sf8 n HIS 530 N -0.50 0.00 0.65 3.99 8.25 -1.26 -4.14 115.22 122.20 1sf8 n HIS 530 Ca 0.00 -0.02 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1sf8 n HIS 530 Cb 0.66 -0.00 0.42 0.00 1.12 0.00 0.00 29.99 32.19 1sf8 n HIS 530 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1sf8 n ARG 531 N -0.02 0.03 -3.87 -0.41 1.85 -1.26 -4.78 116.66 108.20 1sf8 n ARG 531 Ca 0.00 0.19 -0.21 0.00 -1.00 0.00 0.00 57.85 56.83 1sf8 n ARG 531 Cb 0.17 -1.54 -0.02 0.00 -1.05 0.00 0.00 32.46 30.02 1sf8 n ARG 531 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1sf8 s LEU 532 N -3.19 4.12 0.00 2.89 1.43 -1.26 -5.06 118.68 117.61 1sf8 s LEU 532 Ca 0.09 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1sf8 s LEU 532 Cb 0.12 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1sf8 s LEU 532 CO 0.37 -0.16 0.00 0.41 0.23 0.00 0.00 176.35 177.20 1sf8 n THR 533 N -1.42 0.00 0.22 5.49 -1.04 -1.26 -4.91 114.28 111.35 1sf8 n THR 533 Ca -0.06 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.05 1sf8 n THR 533 Cb 0.58 -0.20 0.31 0.00 -1.82 0.00 0.00 70.33 69.19 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 -3.35 8.00 3.32 -1.99 -3.43 116.42 118.96 1sf8 h ASP 534 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1sf8 h ASP 534 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1sf8 h ASP 534 CO 0.00 0.15 0.24 -0.89 -1.72 0.00 0.00 179.24 177.02 1sf8 s THR 535 N -3.34 4.96 0.14 0.35 2.01 -1.26 -4.97 115.64 113.52 1sf8 s THR 535 Ca 0.04 1.52 0.07 0.00 0.31 0.00 0.00 61.69 63.62 1sf8 s THR 535 Cb 0.07 -4.08 -0.19 0.00 0.01 0.00 0.00 72.50 68.31 1sf8 s THR 535 CO 0.65 0.13 1.31 1.55 -0.69 0.00 0.00 174.62 177.58 1sf8 h PRO 536 N 7.11 0.02 -3.78 4.92 0.13 -1.93 -3.44 132.00 135.04 1sf8 h PRO 536 Ca -0.35 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 1sf8 h PRO 536 Cb 1.16 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.15 1sf8 h PRO 536 CO 0.79 0.97 -0.42 0.00 -0.23 0.00 0.00 178.00 179.11 1sf8 s ALA 537 N -2.82 -0.18 0.07 -0.56 0.00 -1.26 -0.34 121.76 116.66 1sf8 s ALA 537 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 1sf8 s ALA 537 Cb 0.10 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1sf8 s ALA 537 CO 0.82 -0.44 0.14 -1.50 0.00 0.00 0.00 175.76 174.78 1sf8 s ILE 538 N -3.38 0.15 -0.02 0.00 2.07 -0.36 -4.61 121.20 115.05 1sf8 s ILE 538 Ca 0.01 -1.23 0.03 0.00 -1.41 0.00 0.00 60.65 58.05 1sf8 s ILE 538 Cb 0.03 -1.23 -0.00 0.00 0.13 0.00 0.00 42.46 41.38 1sf8 s ILE 538 CO -0.08 -0.68 -0.10 0.54 -1.91 0.00 0.00 174.94 172.70 1sf8 s VAL 539 N -3.48 0.86 0.31 4.00 0.11 -1.26 -1.02 120.40 119.93 1sf8 s VAL 539 Ca 0.02 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1sf8 s VAL 539 Cb 0.04 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1sf8 s VAL 539 CO -0.09 0.26 0.18 -0.94 -3.33 0.00 0.00 175.10 171.18 1sf8 s SER 540 N 0.03 1.59 0.01 3.54 1.04 -0.38 -4.91 113.70 114.62 1sf8 s SER 540 Ca -0.01 -1.60 0.07 0.00 0.48 0.00 0.00 55.95 54.88 1sf8 s SER 540 Cb -0.07 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 1sf8 s SER 540 CO 0.00 -0.93 -0.20 -0.89 0.98 0.00 0.00 173.24 172.21 1sf8 s THR 541 N -3.57 1.58 0.53 2.02 2.01 -1.26 0.51 115.64 117.45 1sf8 s THR 541 Ca 0.36 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 1sf8 s THR 541 Cb 0.04 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 71.14 1sf8 s THR 541 CO 0.19 0.31 1.10 -1.81 -0.69 0.00 0.00 174.62 173.73 1sf8 s ASP 542 N -0.81 5.89 0.27 3.53 1.01 -1.26 -4.95 116.67 120.35 1sf8 s ASP 542 Ca 0.07 2.10 -0.02 0.00 0.71 0.00 0.00 52.55 55.41 1sf8 s ASP 542 Cb -0.08 -2.57 0.58 0.00 1.01 0.00 0.00 42.92 41.86 1sf8 s ASP 542 CO 0.00 -1.10 1.63 0.00 0.21 0.00 0.00 175.17 175.92 1sf8 h ALA 543 N 1.29 1.03 -0.70 5.23 0.00 -2.02 -2.05 119.26 122.04 1sf8 h ALA 543 Ca -0.50 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sf8 h ALA 543 Cb 1.25 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1sf8 h ALA 543 CO 0.57 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.97 1sf8 n ASP 544 N -5.31 3.89 0.00 0.00 5.75 -1.26 -5.03 116.55 114.58 1sf8 n ASP 544 Ca 0.18 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1sf8 n ASP 544 Cb 0.59 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1sf8 n ASP 544 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sf8 n GLU 545 N 1.51 0.00 -3.71 0.11 1.02 -0.77 -5.26 120.64 113.53 1sf8 n GLU 545 Ca 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.28 1sf8 n GLU 545 Cb 0.63 -0.15 -0.05 0.00 -0.02 0.00 0.00 31.44 31.85 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 -3.46 -0.13 0.15 1.62 1.04 -1.26 -4.74 113.70 106.90 1sf8 s SER 547 Ca 0.00 -0.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.80 1sf8 s SER 547 Cb 0.00 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1sf8 s SER 547 CO 0.00 -0.83 1.68 0.74 0.98 0.00 0.00 173.24 175.81 1sf8 h THR 548 N 2.46 0.66 0.00 2.02 2.02 -1.99 0.44 112.91 118.53 1sf8 h THR 548 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1sf8 h THR 548 Cb 1.24 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1sf8 h THR 548 CO 0.49 0.00 0.00 1.67 0.37 0.00 0.00 175.52 178.05 1sf8 n GLN 549 N -5.27 0.03 0.00 6.66 7.27 -1.26 -2.10 117.38 122.72 1sf8 n GLN 549 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1sf8 n GLN 549 Cb 0.19 -1.24 0.00 0.00 2.41 0.00 0.00 30.24 31.59 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 0.73 0.00 -0.12 1.69 0.00 0.14 -2.12 120.51 120.82 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 0.01 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.62 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 0.83 -0.69 0.00 1.57 -1.69 -2.76 116.57 113.83 1sf8 h LYS 552 Ca 0.00 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1sf8 h LYS 552 Cb 0.00 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 1sf8 h LYS 552 CO 0.00 0.80 0.37 -0.07 -0.57 0.00 0.00 179.45 179.98 1sf8 h LEU 553 N 0.78 0.52 -0.71 2.94 3.38 -1.73 0.06 115.31 120.56 1sf8 h LEU 553 Ca 0.16 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.27 1sf8 h LEU 553 Cb 0.40 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1sf8 h LEU 553 CO 0.01 0.33 0.34 -0.26 0.09 0.00 0.00 178.44 178.95 1sf8 h PHE 554 N 0.66 0.61 -0.26 1.13 -1.00 -1.79 0.13 116.94 116.42 1sf8 h PHE 554 Ca 0.32 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.13 1sf8 h PHE 554 Cb 0.25 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1sf8 h PHE 554 CO -0.09 0.21 0.17 0.00 -1.61 0.00 0.00 178.31 176.99 1sf8 h ALA 555 N 1.44 0.33 -0.38 2.45 0.00 -1.20 0.13 119.26 122.01 1sf8 h ALA 555 Ca 0.35 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1sf8 h ALA 555 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sf8 h ALA 555 CO -0.28 -0.20 0.26 0.00 0.00 0.00 0.00 179.25 179.03 1sf8 h ALA 556 N 1.09 1.91 -0.09 0.00 0.00 0.47 0.27 119.26 122.92 1sf8 h ALA 556 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1sf8 h ALA 556 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1sf8 h ALA 556 CO -0.02 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1sf8 n ALA 557 N -2.51 2.50 -1.13 0.00 0.00 0.30 -4.86 120.51 114.82 1sf8 n ALA 557 Ca 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 1sf8 n ALA 557 Cb 0.19 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 0.69 0.71 3.87 0.00 0.00 0.97 -5.03 105.19 106.40 1sf8 n GLY 558 Ca 0.05 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 3.12 0.35 1.61 -1.52 0.34 -4.99 119.66 116.58 1sf8 s GLN 559 Ca 0.00 -0.84 -0.28 0.00 -1.95 0.00 0.00 55.36 52.28 1sf8 s GLN 559 Cb 0.00 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 29.95 1sf8 s GLN 559 CO 0.00 0.46 1.36 0.15 -0.25 0.00 0.00 175.29 177.01 1sf8 s LYS 560 N -3.50 4.26 -0.08 2.91 1.02 -1.26 -3.32 119.74 119.77 1sf8 s LYS 560 Ca 0.33 2.32 -0.30 0.00 0.02 0.00 0.00 55.97 58.34 1sf8 s LYS 560 Cb -0.09 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1sf8 s LYS 560 CO 0.26 -0.31 1.29 0.08 -0.92 0.00 0.00 175.35 175.76 1sf8 s VAL 561 N -1.14 4.10 0.80 3.17 1.01 -1.26 -4.73 120.40 122.34 1sf8 s VAL 561 Ca 0.50 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 1sf8 s VAL 561 Cb -0.42 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1sf8 s VAL 561 CO 0.56 -0.05 1.11 -2.84 0.00 0.00 0.00 175.10 173.87 1sf8 s PRO 562 N 2.79 2.03 0.35 2.72 0.02 -1.26 -4.96 135.00 136.68 1sf8 s PRO 562 Ca 0.58 1.27 -0.28 0.00 0.02 0.00 0.00 61.00 62.59 1sf8 s PRO 562 Cb -0.26 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.29 1sf8 s PRO 562 CO 0.21 -1.83 1.42 -2.00 -0.33 0.00 0.00 177.00 174.46 1sf8 s GLU 563 N -4.79 4.21 -0.07 5.54 2.12 -1.26 -4.95 118.70 119.50 1sf8 s GLU 563 Ca 0.63 2.42 0.04 0.00 0.36 0.00 0.00 54.97 58.43 1sf8 s GLU 563 Cb -0.19 -3.01 -0.00 0.00 0.26 0.00 0.00 34.13 31.19 1sf8 s GLU 563 CO 0.55 -0.39 -0.22 0.08 -0.54 0.00 0.00 175.26 174.74 1sf8 s VAL 564 N -1.07 1.85 -0.33 3.70 1.01 -1.26 -4.98 120.40 119.33 1sf8 s VAL 564 Ca 0.52 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1sf8 s VAL 564 Cb -0.44 -1.59 0.08 0.00 0.00 0.00 0.00 36.38 34.43 1sf8 s VAL 564 CO 0.58 0.52 0.03 -0.54 0.00 0.00 0.00 175.10 175.69 1sf8 s LYS 565 N 0.18 2.04 0.60 2.72 -0.14 -1.26 -5.03 119.74 118.84 1sf8 s LYS 565 Ca -0.11 -1.57 -0.10 0.00 -1.36 0.00 0.00 55.97 52.83 1sf8 s LYS 565 Cb -0.15 -3.21 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 1sf8 s LYS 565 CO 0.06 -0.79 0.98 0.71 -0.76 0.00 0.00 175.35 175.54 1sf8 s TYR 566 N 1.10 3.56 -0.28 3.18 1.51 -1.26 -4.60 117.35 120.56 1sf8 s TYR 566 Ca 0.01 1.13 -0.08 0.00 -1.01 0.00 0.00 57.07 57.12 1sf8 s TYR 566 Cb -0.20 -2.67 -0.02 0.00 -0.11 0.00 0.00 41.96 38.97 1sf8 s TYR 566 CO -0.04 -0.66 0.11 0.42 -1.11 0.00 0.00 175.55 174.26 1sf8 s ILE 567 N -3.09 4.41 -0.33 2.71 1.01 0.18 -0.08 121.20 126.00 1sf8 s ILE 567 Ca 0.54 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.62 1sf8 s ILE 567 Cb -0.11 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1sf8 s ILE 567 CO 0.51 0.19 0.76 0.12 0.00 0.00 0.00 174.94 176.52 1sf8 s PHE 568 N 1.60 3.16 -0.06 3.97 5.36 0.03 -1.25 117.98 130.79 1sf8 s PHE 568 Ca 0.05 0.64 0.04 0.00 -0.96 0.00 0.00 56.93 56.70 1sf8 s PHE 568 Cb -0.16 -3.26 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 1sf8 s PHE 568 CO 0.05 -0.63 -0.15 -1.21 -1.46 0.00 0.00 175.22 171.81 1sf8 s GLU 569 N 2.96 2.57 0.14 10.12 2.02 -0.19 -1.22 118.70 135.10 1sf8 s GLU 569 Ca 0.30 -0.72 0.10 0.00 0.02 0.00 0.00 54.97 54.68 1sf8 s GLU 569 Cb -0.14 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1sf8 s GLU 569 CO 0.14 0.57 -0.25 -0.51 0.02 0.00 0.00 175.26 175.23 1sf8 s LEU 570 N -0.59 2.34 -0.45 1.80 1.43 0.24 -1.22 118.68 122.23 1sf8 s LEU 570 Ca 0.08 -0.76 -0.18 0.00 -1.03 0.00 0.00 54.13 52.25 1sf8 s LEU 570 Cb -0.11 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 45.01 1sf8 s LEU 570 CO 0.01 0.14 0.48 0.21 0.23 0.00 0.00 176.35 177.42 1sf8 s ASN 571 N -2.16 6.20 0.36 2.29 3.84 0.54 -1.03 114.94 124.97 1sf8 s ASN 571 Ca 0.14 -0.85 0.06 0.00 0.21 0.00 0.00 52.86 52.42 1sf8 s ASN 571 Cb -0.09 -2.24 0.74 0.00 -0.55 0.00 0.00 41.25 39.11 1sf8 s ASN 571 CO 0.06 -0.68 1.95 -0.65 -2.79 0.00 0.00 177.10 174.99 1sf8 h PRO 572 N 8.81 0.74 -0.63 0.43 0.11 -1.89 -2.52 132.00 137.04 1sf8 h PRO 572 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1sf8 h PRO 572 Cb 1.11 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1sf8 h PRO 572 CO 0.86 0.49 0.00 -0.25 -0.21 0.00 0.00 178.00 178.89 1sf8 n ASP 573 N -4.49 2.50 -4.82 -2.05 8.00 -1.26 -4.49 116.55 109.95 1sf8 n ASP 573 Ca 0.11 -2.25 -0.36 0.00 0.71 0.00 0.00 54.79 53.00 1sf8 n ASP 573 Cb 0.25 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.68 3.55 0.19 1.24 2.46 -0.95 -4.99 115.29 115.09 1sf8 s HIS 574 Ca 0.22 0.53 -0.20 0.00 0.47 0.00 0.00 55.06 56.08 1sf8 s HIS 574 Cb 0.15 -2.08 0.13 0.00 -0.13 0.00 0.00 32.58 30.65 1sf8 s HIS 574 CO 0.09 0.55 1.60 0.28 -2.47 0.00 0.00 174.74 174.79 1sf8 h VAL 575 N 4.22 0.22 -0.93 0.89 2.07 -1.89 -0.17 116.25 120.66 1sf8 h VAL 575 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1sf8 h VAL 575 Cb 1.20 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1sf8 h VAL 575 CO 0.65 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.77 1sf8 h LEU 576 N -0.16 1.09 -0.19 2.57 3.38 -1.94 0.17 115.31 120.23 1sf8 h LEU 576 Ca 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1sf8 h LEU 576 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1sf8 h LEU 576 CO -0.64 0.81 0.03 0.58 0.09 0.00 0.00 178.44 179.31 1sf8 h VAL 577 N 1.27 1.23 -0.53 1.22 2.07 -1.57 -0.71 116.25 119.23 1sf8 h VAL 577 Ca 0.34 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1sf8 h VAL 577 Cb -0.11 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1sf8 h VAL 577 CO -0.07 0.23 0.29 0.11 0.02 0.00 0.00 177.57 178.15 1sf8 h LYS 578 N 0.10 0.55 -0.23 1.57 1.57 -0.64 -0.05 116.57 119.44 1sf8 h LYS 578 Ca 0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1sf8 h LYS 578 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1sf8 h LYS 578 CO 0.00 0.37 0.11 -0.09 -0.57 0.00 0.00 179.45 179.27 1sf8 h ARG 579 N 0.57 0.31 -0.06 3.15 2.43 -0.50 0.80 114.38 121.08 1sf8 h ARG 579 Ca 0.23 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.16 1sf8 h ARG 579 Cb 0.09 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1sf8 h ARG 579 CO -0.13 0.25 -0.83 0.00 -1.51 0.00 0.00 179.97 177.75 1sf8 h ALA 580 N 1.80 0.44 -0.27 2.80 0.00 0.50 -1.93 119.26 122.60 1sf8 h ALA 580 Ca 0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 1sf8 h ALA 580 Cb 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sf8 h ALA 580 CO -0.01 0.76 -0.30 0.00 0.00 0.00 0.00 179.25 179.70 1sf8 h ALA 581 N 0.77 0.41 -0.37 0.00 0.00 -0.40 -3.30 119.26 116.37 1sf8 h ALA 581 Ca -0.06 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1sf8 h ALA 581 Cb 1.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1sf8 h ALA 581 CO 0.15 0.43 -0.39 -0.44 0.00 0.00 0.00 179.25 179.00 1sf8 h ASP 582 N 0.42 0.98 -1.62 0.00 3.32 -0.89 -3.44 116.42 115.19 1sf8 h ASP 582 Ca 0.04 -0.47 -0.72 0.00 0.02 0.00 0.00 57.03 55.90 1sf8 h ASP 582 Cb 0.87 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.16 1sf8 h ASP 582 CO 0.07 1.25 0.83 1.07 -1.72 0.00 0.00 179.24 180.74 1sf8 n THR 583 N -4.08 0.26 0.10 0.35 5.66 -0.73 -4.84 114.28 111.01 1sf8 n THR 583 Ca -0.03 -0.05 0.03 0.00 -3.05 0.00 0.00 64.05 60.96 1sf8 n THR 583 Cb 0.55 -1.20 -0.01 0.00 -1.55 0.00 0.00 70.33 68.12 1sf8 n THR 583 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1sf8 h GLU 584 N 6.83 0.00 -6.27 1.09 5.08 -1.90 -3.44 114.58 115.97 1sf8 h GLU 584 Ca -0.47 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.32 1sf8 h GLU 584 Cb 1.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1sf8 h GLU 584 CO 0.92 0.31 1.19 0.34 -1.00 0.00 0.00 179.01 180.78 1sf8 s ASP 585 N -6.03 6.23 0.33 1.42 2.15 -1.26 -4.88 116.67 114.62 1sf8 s ASP 585 Ca 0.01 1.64 0.04 0.00 0.43 0.00 0.00 52.55 54.67 1sf8 s ASP 585 Cb 0.08 -2.53 0.67 0.00 -0.30 0.00 0.00 42.92 40.84 1sf8 s ASP 585 CO 0.77 -1.38 1.91 -0.33 -0.17 0.00 0.00 175.17 175.97 1sf8 h GLU 586 N 11.42 0.83 -0.28 4.34 4.39 -1.99 0.12 114.58 133.41 1sf8 h GLU 586 Ca -0.35 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.23 1sf8 h GLU 586 Cb 1.17 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1sf8 h GLU 586 CO 1.00 0.55 -0.10 0.00 -1.16 0.00 0.00 179.01 179.30 1sf8 h ALA 587 N 1.56 0.39 -0.20 3.43 0.00 -1.99 -2.33 119.26 120.14 1sf8 h ALA 587 Ca 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sf8 h ALA 587 Cb 0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sf8 h ALA 587 CO -0.15 0.24 0.09 -0.22 0.00 0.00 0.00 179.25 179.21 1sf8 h LYS 588 N 0.32 0.29 -0.73 0.00 1.63 -1.80 -2.11 116.57 114.16 1sf8 h LYS 588 Ca 0.07 -0.04 0.16 0.00 -0.85 0.00 0.00 60.65 59.98 1sf8 h LYS 588 Cb 0.60 -0.05 -0.13 0.00 -0.60 0.00 0.00 32.23 32.06 1sf8 h LYS 588 CO 0.03 0.32 0.01 0.35 -3.45 0.00 0.00 179.45 176.72 1sf8 h PHE 589 N 0.18 -0.04 -0.41 1.91 3.57 -0.67 0.15 116.94 121.64 1sf8 h PHE 589 Ca 0.07 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1sf8 h PHE 589 Cb 0.13 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1sf8 h PHE 589 CO -0.02 -0.22 0.26 1.03 -2.23 0.00 0.00 178.31 177.13 1sf8 h SER 590 N 0.11 0.43 -0.64 0.41 0.87 -0.98 -1.71 113.55 112.04 1sf8 h SER 590 Ca 0.39 -0.00 0.08 0.00 -1.23 0.00 0.00 61.79 61.03 1sf8 h SER 590 Cb 0.68 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 1sf8 h SER 590 CO -0.63 0.31 0.30 -0.33 -0.53 0.00 0.00 176.83 175.94 1sf8 h GLU 591 N 0.52 0.51 -0.50 2.24 4.39 -0.09 0.57 114.58 122.23 1sf8 h GLU 591 Ca 0.16 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 1sf8 h GLU 591 Cb -0.02 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1sf8 h GLU 591 CO -0.06 0.34 -0.09 -1.49 -1.16 0.00 0.00 179.01 176.55 1sf8 h TRP 592 N 0.52 0.99 -0.07 4.33 4.06 -0.85 -1.40 115.95 123.53 1sf8 h TRP 592 Ca 0.31 -0.19 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 1sf8 h TRP 592 Cb 0.32 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1sf8 h TRP 592 CO -0.13 0.94 -0.03 0.28 -3.56 0.00 0.00 178.44 175.95 1sf8 h VAL 593 N 0.81 1.31 -0.71 1.49 2.07 -0.68 -0.84 116.25 119.70 1sf8 h VAL 593 Ca 0.13 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.76 1sf8 h VAL 593 Cb 0.61 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1sf8 h VAL 593 CO 0.04 0.28 0.47 -0.33 0.02 0.00 0.00 177.57 178.04 1sf8 h GLU 594 N -0.21 0.57 -0.07 1.57 4.39 -0.86 0.86 114.58 120.82 1sf8 h GLU 594 Ca 0.02 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1sf8 h GLU 594 Cb 0.45 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1sf8 h GLU 594 CO 0.01 0.38 -0.19 1.25 -1.16 0.00 0.00 179.01 179.30 1sf8 h LEU 595 N 0.59 0.29 -0.90 1.33 5.85 -1.01 -2.25 115.31 119.21 1sf8 h LEU 595 Ca 0.32 -0.59 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1sf8 h LEU 595 Cb 0.49 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1sf8 h LEU 595 CO -0.11 0.83 0.38 -0.07 -0.34 0.00 0.00 178.44 179.13 1sf8 h LEU 596 N -0.23 1.07 -0.19 2.25 3.38 -0.47 -1.55 115.31 119.56 1sf8 h LEU 596 Ca -0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1sf8 h LEU 596 Cb 0.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1sf8 h LEU 596 CO 0.04 0.91 0.10 0.25 0.09 0.00 0.00 178.44 179.82 1sf8 h LEU 597 N 1.16 0.25 -1.11 1.67 5.85 -0.88 -2.03 115.31 120.23 1sf8 h LEU 597 Ca 0.28 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1sf8 h LEU 597 Cb 0.13 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1sf8 h LEU 597 CO -0.03 0.29 0.60 0.44 -0.34 0.00 0.00 178.44 179.40 1sf8 h ASP 598 N 0.19 0.99 -0.76 1.25 3.32 -1.07 0.11 116.42 120.46 1sf8 h ASP 598 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1sf8 h ASP 598 Cb 0.10 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.39 1sf8 h ASP 598 CO -0.01 0.68 0.43 1.56 -1.72 0.00 0.00 179.24 180.18 1sf8 h GLN 599 N 1.15 1.04 -0.25 3.56 4.20 -0.88 0.12 115.11 124.06 1sf8 h GLN 599 Ca 0.37 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 1sf8 h GLN 599 Cb 0.02 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1sf8 h GLN 599 CO -0.11 0.76 -0.04 0.00 -0.67 0.00 0.00 178.83 178.77 1sf8 h ALA 600 N 1.23 0.35 -0.32 3.87 0.00 -0.63 -0.24 119.26 123.51 1sf8 h ALA 600 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1sf8 h ALA 600 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sf8 h ALA 600 CO -0.05 0.12 0.04 -0.07 0.00 0.00 0.00 179.25 179.30 1sf8 h LEU 601 N 0.23 0.44 -0.10 0.00 3.38 -0.44 0.41 115.31 119.23 1sf8 h LEU 601 Ca 0.07 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1sf8 h LEU 601 Cb 0.48 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1sf8 h LEU 601 CO 0.02 0.48 -0.75 0.25 0.09 0.00 0.00 178.44 178.53 1sf8 h LEU 602 N 0.47 0.82 -1.47 1.67 5.85 -0.64 0.21 115.31 122.22 1sf8 h LEU 602 Ca 0.11 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 1sf8 h LEU 602 Cb 0.24 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1sf8 h LEU 602 CO 0.00 1.36 -0.23 0.00 -0.34 0.00 0.00 178.44 179.23 1sf8 h ALA 603 N 0.48 1.56 0.00 1.25 0.00 -0.63 0.37 119.26 122.29 1sf8 h ALA 603 Ca -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1sf8 h ALA 603 Cb 1.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1sf8 h ALA 603 CO 0.15 0.32 -0.31 1.49 0.00 0.00 0.00 179.25 180.91 1sf8 h GLU 604 N 0.04 0.00 -0.00 0.00 4.57 -0.76 -3.38 114.58 115.05 1sf8 h GLU 604 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1sf8 h GLU 604 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1sf8 h GLU 604 CO 0.03 0.75 -0.73 0.54 -1.18 0.00 0.00 179.01 178.42 1sf8 n ARG 605 N -4.60 0.14 -1.23 1.92 1.74 0.73 -4.93 116.66 110.43 1sf8 n ARG 605 Ca -0.13 -0.11 -0.08 0.00 -0.77 0.00 0.00 57.85 56.76 1sf8 n ARG 605 Cb 0.42 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.48 0.87 3.44 -0.13 0.00 0.13 -4.92 105.19 106.07 1sf8 n GLY 606 Ca 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.93 0.00 0.12 2.61 -1.32 -1.25 -5.02 115.64 108.84 1sf8 s THR 607 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 1sf8 s THR 607 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1sf8 s THR 607 CO 0.00 0.00 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.51 1sf8 s LEU 608 N -2.43 2.40 0.26 9.08 1.43 -1.26 -4.37 118.68 123.79 1sf8 s LEU 608 Ca -0.01 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 1sf8 s LEU 608 Cb -0.01 -0.53 0.35 0.00 0.03 0.00 0.00 46.19 46.03 1sf8 s LEU 608 CO -0.08 -0.15 1.76 -0.33 0.23 0.00 0.00 176.35 177.78 1sf8 h GLU 609 N 3.57 0.75 -2.44 1.70 3.07 -2.01 -3.35 114.58 115.88 1sf8 h GLU 609 Ca -0.40 -0.21 -0.59 0.00 -0.50 0.00 0.00 59.36 57.66 1sf8 h GLU 609 Cb 1.19 -0.08 -0.39 0.00 -0.84 0.00 0.00 28.75 28.63 1sf8 h GLU 609 CO 0.50 0.78 -0.92 -3.47 -1.40 0.00 0.00 179.01 174.51 1sf8 n ASP 610 N -4.21 0.24 -0.21 1.42 -0.08 -1.26 -4.98 116.55 107.47 1sf8 n ASP 610 Ca 0.02 -2.56 0.00 0.00 -1.51 0.00 0.00 54.79 50.74 1sf8 n ASP 610 Cb 0.31 -0.60 0.11 0.00 2.34 0.00 0.00 41.12 43.29 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 5.39 0.43 -0.54 -0.67 0.11 -1.99 -1.78 132.00 132.95 1sf8 h PRO 611 Ca 0.23 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.33 1sf8 h PRO 611 Cb 0.88 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 1sf8 h PRO 611 CO 0.45 0.29 0.36 -0.91 -0.21 0.00 0.00 178.00 177.97 1sf8 h ASN 612 N 0.45 0.57 -0.30 -2.05 2.35 -1.96 -1.31 115.58 113.34 1sf8 h ASN 612 Ca 0.31 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.02 1sf8 h ASN 612 Cb 0.37 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1sf8 h ASN 612 CO -0.29 0.40 0.07 0.25 -1.65 0.00 0.00 177.43 176.21 1sf8 h LEU 613 N 0.67 0.46 -0.37 1.61 5.85 -1.76 -0.58 115.31 121.18 1sf8 h LEU 613 Ca 0.21 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1sf8 h LEU 613 Cb 0.02 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1sf8 h LEU 613 CO -0.05 0.57 0.05 0.15 -0.34 0.00 0.00 178.44 178.81 1sf8 h PHE 614 N 0.32 0.07 -0.43 1.25 3.57 -1.02 0.14 116.94 120.84 1sf8 h PHE 614 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1sf8 h PHE 614 Cb 0.29 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1sf8 h PHE 614 CO 0.01 -0.02 0.18 0.82 -2.23 0.00 0.00 178.31 177.08 1sf8 h ILE 615 N 0.16 1.19 -0.01 1.41 2.04 -1.09 -2.21 117.51 119.01 1sf8 h ILE 615 Ca 0.18 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1sf8 h ILE 615 Cb 0.23 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1sf8 h ILE 615 CO -0.26 0.22 -0.24 -0.09 0.00 0.00 0.00 178.15 177.78 1sf8 h ARG 616 N 0.54 0.02 -0.77 2.37 2.43 -0.70 -0.79 114.38 117.49 1sf8 h ARG 616 Ca 0.14 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1sf8 h ARG 616 Cb 0.17 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1sf8 h ARG 616 CO -0.01 0.26 0.00 -2.13 -1.51 0.00 0.00 179.97 176.57 1sf8 n ARG 617 N -4.25 0.74 0.00 0.20 0.63 0.45 -2.36 116.66 112.08 1sf8 n ARG 617 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1sf8 n ARG 617 Cb 0.30 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.85 1sf8 n ARG 617 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1sf8 n ASN 619 N 0.16 0.00 -0.17 6.15 3.02 -0.30 -2.91 115.26 121.20 1sf8 n ASN 619 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1sf8 n ASN 619 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 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 0.84 0.00 3.52 1.08 -1.71 -2.62 115.11 116.21 1sf8 h GLN 620 Ca 0.00 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1sf8 h GLN 620 Cb 0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1sf8 h GLN 620 CO 0.00 0.86 0.00 1.28 -0.95 0.00 0.00 178.83 180.02 1sf8 n LEU 621 N -4.37 0.71 0.17 1.46 4.77 -1.15 -1.77 117.00 116.82 1sf8 n LEU 621 Ca 0.01 0.64 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 1sf8 n LEU 621 Cb 0.29 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1sf8 n LEU 621 CO 0.41 -0.44 0.51 -0.07 -1.33 0.00 0.00 177.39 176.47 1sf8 h LEU 622 N 0.00 0.00 0.00 2.23 3.38 -1.78 -3.28 115.31 115.86 1sf8 h LEU 622 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1sf8 h LEU 622 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1sf8 h LEU 622 CO 0.00 0.03 -2.04 0.52 0.09 0.00 0.00 178.44 177.04 1sf8 n VAL 623 N -2.96 1.47 -0.44 1.22 0.31 -0.98 -5.11 118.33 111.85 1sf8 n VAL 623 Ca 0.02 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 1sf8 n VAL 623 Cb 0.55 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1sf8 n VAL 623 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97