#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 -1.03 -0.63 0.66 3.57 -1.98 0.66 116.94 118.19 1sf8 h PHE 511 Ca 0.00 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.61 1sf8 h PHE 511 Cb 0.00 0.36 -0.10 0.00 2.79 0.00 0.00 35.95 39.00 1sf8 h PHE 511 CO 0.00 -0.59 0.08 0.82 -2.23 0.00 0.00 178.31 176.40 1sf8 h ILE 512 N -0.98 0.56 -0.66 1.41 2.04 -1.99 0.38 117.51 118.27 1sf8 h ILE 512 Ca -0.09 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1sf8 h ILE 512 Cb 0.78 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1sf8 h ILE 512 CO 0.10 0.04 0.16 0.44 0.00 0.00 0.00 178.15 178.89 1sf8 h ASP 513 N 0.20 1.00 -0.01 1.72 3.32 -1.94 -0.43 116.42 120.29 1sf8 h ASP 513 Ca 0.34 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1sf8 h ASP 513 Cb 0.53 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1sf8 h ASP 513 CO -0.47 0.97 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.88 1sf8 h ARG 514 N 0.98 0.14 0.12 3.56 2.43 0.10 -0.05 114.38 121.67 1sf8 h ARG 514 Ca 0.21 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 59.14 1sf8 h ARG 514 Cb 0.36 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1sf8 h ARG 514 CO 0.00 0.20 -0.93 0.28 -1.51 0.00 0.00 179.97 178.01 1sf8 h VAL 515 N 0.14 1.42 -0.25 0.20 2.07 -0.51 -2.97 116.25 116.36 1sf8 h VAL 515 Ca 0.03 -2.45 0.04 0.00 0.82 0.00 0.00 66.70 65.15 1sf8 h VAL 515 Cb 0.18 2.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.87 1sf8 h VAL 515 CO 0.01 0.71 -0.01 0.11 0.02 0.00 0.00 177.57 178.40 1sf8 h LYS 516 N -0.13 0.06 -0.20 1.57 1.57 -0.59 -0.82 116.57 118.03 1sf8 h LYS 516 Ca -0.15 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1sf8 h LYS 516 Cb 1.69 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.93 1sf8 h LYS 516 CO 0.18 0.04 -0.17 0.00 -0.57 0.00 0.00 179.45 178.92 1sf8 h ALA 517 N 1.22 -0.04 -0.01 3.86 0.00 -1.10 0.13 119.26 123.33 1sf8 h ALA 517 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1sf8 h ALA 517 Cb 0.16 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1sf8 h ALA 517 CO -0.22 -0.60 -0.12 1.25 0.00 0.00 0.00 179.25 179.56 1sf8 h LEU 518 N -0.18 -0.36 -0.69 0.00 5.85 -1.27 -2.78 115.31 115.88 1sf8 h LEU 518 Ca 0.12 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1sf8 h LEU 518 Cb 0.36 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1sf8 h LEU 518 CO -0.31 -0.17 0.00 -0.07 -0.34 0.00 0.00 178.44 177.55 1sf8 h LEU 519 N -0.20 0.00 0.00 2.25 3.38 -0.89 -3.48 115.31 116.37 1sf8 h LEU 519 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1sf8 h LEU 519 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sf8 h LEU 519 CO -0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1sf8 n GLY 520 N 0.52 3.42 0.62 0.83 0.00 0.45 -1.70 105.19 109.33 1sf8 n GLY 520 Ca 0.03 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 14.00 1.86 0.12 1.61 1.02 -1.26 -4.06 120.64 133.93 1sf8 n GLU 521 Ca 0.00 -1.24 0.08 0.00 -0.02 0.00 0.00 57.16 55.98 1sf8 n GLU 521 Cb 0.00 -1.47 0.43 0.00 -0.02 0.00 0.00 31.44 30.38 1sf8 n GLU 521 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sf8 n ARG 522 N 0.51 0.10 -4.07 3.49 1.74 -0.69 -4.54 116.66 113.21 1sf8 n ARG 522 Ca 0.18 0.60 -0.13 0.00 -0.77 0.00 0.00 57.85 57.72 1sf8 n ARG 522 Cb 0.42 -1.86 -0.11 0.00 -1.02 0.00 0.00 32.46 29.89 1sf8 n ARG 522 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sf8 s VAL 523 N -3.39 0.57 0.17 1.55 1.01 -1.26 -4.65 120.40 114.40 1sf8 s VAL 523 Ca -0.02 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 1sf8 s VAL 523 Cb 0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 36.38 35.71 1sf8 s VAL 523 CO 0.14 -0.36 1.45 0.50 0.00 0.00 0.00 175.10 176.84 1sf8 h LYS 524 N 4.52 0.59 -2.35 2.72 3.64 0.54 -3.47 116.57 122.75 1sf8 h LYS 524 Ca -0.36 -0.40 0.16 0.00 -1.27 0.00 0.00 60.65 58.78 1sf8 h LYS 524 Cb 1.20 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 1sf8 h LYS 524 CO 0.41 1.02 0.48 0.34 -2.27 0.00 0.00 179.45 179.43 1sf8 s ASP 525 N -6.96 -0.21 -0.08 4.20 2.15 -1.24 -5.01 116.67 109.53 1sf8 s ASP 525 Ca -0.08 -0.35 -0.01 0.00 0.43 0.00 0.00 52.55 52.54 1sf8 s ASP 525 Cb 0.11 0.48 0.03 0.00 -0.30 0.00 0.00 42.92 43.23 1sf8 s ASP 525 CO 0.85 -0.87 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.29 1sf8 s VAL 526 N -3.28 0.47 0.20 1.11 1.01 -1.26 -1.25 120.40 117.41 1sf8 s VAL 526 Ca 0.11 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1sf8 s VAL 526 Cb -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1sf8 s VAL 526 CO 0.01 0.25 -0.02 -0.13 0.00 0.00 0.00 175.10 175.20 1sf8 s ARG 527 N 1.93 1.24 -0.21 2.72 0.52 -0.56 -5.00 118.95 119.58 1sf8 s ARG 527 Ca 0.05 -1.60 -0.06 0.00 -0.52 0.00 0.00 55.73 53.59 1sf8 s ARG 527 Cb -0.13 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 34.77 1sf8 s ARG 527 CO -0.06 -0.07 0.04 -0.51 0.02 0.00 0.00 175.30 174.72 1sf8 s LEU 528 N -3.25 3.43 -0.06 2.53 1.43 -1.26 -1.08 118.68 120.41 1sf8 s LEU 528 Ca 0.25 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1sf8 s LEU 528 Cb 0.05 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1sf8 s LEU 528 CO 0.06 0.05 -0.22 0.28 0.23 0.00 0.00 176.35 176.75 1sf8 s THR 529 N 1.09 2.34 -0.32 5.49 -1.32 -0.64 -4.91 115.64 117.37 1sf8 s THR 529 Ca 0.03 -0.97 0.01 0.00 -1.21 0.00 0.00 61.69 59.55 1sf8 s THR 529 Cb -0.14 -1.87 0.34 0.00 -1.51 0.00 0.00 72.50 69.32 1sf8 s THR 529 CO 0.02 0.57 1.74 1.41 -2.21 0.00 0.00 174.62 176.15 1sf8 n HIS 530 N 2.79 1.86 -1.12 9.09 8.25 -1.26 -4.22 115.22 130.61 1sf8 n HIS 530 Ca -0.17 -1.66 -0.30 0.00 -0.26 0.00 0.00 57.72 55.33 1sf8 n HIS 530 Cb 0.52 -0.83 -0.05 0.00 1.12 0.00 0.00 29.99 30.75 1sf8 n HIS 530 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1sf8 n ARG 531 N -0.26 3.02 -0.76 -0.41 0.63 -1.26 -4.92 116.66 112.69 1sf8 n ARG 531 Ca 0.36 -1.79 -0.26 0.00 -0.92 0.00 0.00 57.85 55.24 1sf8 n ARG 531 Cb 0.96 -2.56 -0.01 0.00 0.45 0.00 0.00 32.46 31.30 1sf8 n ARG 531 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1sf8 n LEU 532 N 3.47 -1.11 0.00 6.15 4.32 -1.26 -4.94 117.00 123.62 1sf8 n LEU 532 Ca 0.64 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 57.19 1sf8 n LEU 532 Cb 0.34 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1sf8 n LEU 532 CO 0.68 -1.99 0.00 1.07 -1.22 0.00 0.00 177.39 175.93 1sf8 n THR 533 N -0.25 0.00 0.54 -5.08 5.66 -1.26 -4.95 114.28 108.94 1sf8 n THR 533 Ca 0.08 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.21 1sf8 n THR 533 Cb 0.18 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.18 1sf8 n THR 533 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1sf8 h ASP 534 N 0.00 0.00 -3.01 1.09 3.32 -2.02 -3.46 116.42 112.34 1sf8 h ASP 534 Ca 0.00 -0.14 -0.56 0.00 0.02 0.00 0.00 57.03 56.35 1sf8 h ASP 534 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1sf8 h ASP 534 CO 0.00 0.07 0.80 -0.89 -1.72 0.00 0.00 179.24 177.50 1sf8 s THR 535 N -3.16 4.31 -0.48 0.35 2.01 -1.26 -4.93 115.64 112.48 1sf8 s THR 535 Ca 0.07 1.61 0.24 0.00 0.31 0.00 0.00 61.69 63.91 1sf8 s THR 535 Cb 0.12 -4.03 0.25 0.00 0.01 0.00 0.00 72.50 68.86 1sf8 s THR 535 CO 0.69 -0.08 1.53 1.55 -0.69 0.00 0.00 174.62 177.62 1sf8 h PRO 536 N 7.80 0.00 -2.82 4.92 0.13 -1.92 -3.43 132.00 136.68 1sf8 h PRO 536 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1sf8 h PRO 536 Cb 1.13 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.07 1sf8 h PRO 536 CO 0.93 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.58 1sf8 s ALA 537 N -3.21 -1.07 0.07 -0.56 0.00 -1.26 -1.21 121.76 114.52 1sf8 s ALA 537 Ca 0.06 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.47 1sf8 s ALA 537 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1sf8 s ALA 537 CO 0.68 -0.35 0.15 -1.50 0.00 0.00 0.00 175.76 174.74 1sf8 s ILE 538 N -1.70 0.15 0.04 0.00 2.07 0.04 -4.55 121.20 117.25 1sf8 s ILE 538 Ca -0.10 -1.20 0.05 0.00 -1.41 0.00 0.00 60.65 57.98 1sf8 s ILE 538 Cb -0.03 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.30 1sf8 s ILE 538 CO 0.03 -0.66 -0.13 0.54 -1.91 0.00 0.00 174.94 172.80 1sf8 s VAL 539 N -3.51 1.04 0.18 4.00 0.11 -1.26 -0.63 120.40 120.33 1sf8 s VAL 539 Ca 0.02 -1.01 -0.19 0.00 -2.93 0.00 0.00 61.98 57.88 1sf8 s VAL 539 Cb 0.04 -0.96 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1sf8 s VAL 539 CO -0.09 -0.04 0.53 -0.94 -3.33 0.00 0.00 175.10 171.23 1sf8 s SER 540 N -1.20 -0.32 0.18 3.54 1.04 -0.70 -4.93 113.70 111.32 1sf8 s SER 540 Ca 0.00 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1sf8 s SER 540 Cb -0.08 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1sf8 s SER 540 CO 0.01 -1.02 -0.06 0.42 0.98 0.00 0.00 173.24 173.57 1sf8 s THR 541 N -3.84 3.35 0.54 2.02 -4.23 -1.26 0.57 115.64 112.79 1sf8 s THR 541 Ca 0.07 -1.61 -0.17 0.00 -1.18 0.00 0.00 61.69 58.80 1sf8 s THR 541 Cb -0.01 -2.68 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 1sf8 s THR 541 CO -0.06 -0.13 1.01 -1.81 -0.54 0.00 0.00 174.62 173.10 1sf8 s ASP 542 N -2.91 6.34 0.04 3.99 1.01 -1.26 -4.98 116.67 118.90 1sf8 s ASP 542 Ca 0.26 1.67 -0.07 0.00 0.71 0.00 0.00 52.55 55.12 1sf8 s ASP 542 Cb -0.09 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1sf8 s ASP 542 CO 0.16 -0.78 0.53 0.00 0.21 0.00 0.00 175.17 175.29 1sf8 n ALA 543 N -1.67 -0.14 -2.91 5.23 0.00 -1.26 -2.12 120.51 117.64 1sf8 n ALA 543 Ca 0.07 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 1sf8 n ALA 543 Cb 0.54 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.58 5.31 0.07 0.00 8.00 -1.26 -5.03 116.55 120.06 1sf8 n ASP 544 Ca 0.00 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.85 1sf8 n ASP 544 Cb 0.06 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 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 -0.00 0.00 -3.66 -1.24 1.02 -0.90 -5.26 120.64 110.60 1sf8 n GLU 545 Ca 0.35 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.36 1sf8 n GLU 545 Cb 0.35 -0.02 -0.06 0.00 -0.02 0.00 0.00 31.44 31.69 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 -4.56 -0.30 0.52 1.62 1.04 -1.26 -4.83 113.70 105.93 1sf8 s SER 547 Ca 0.00 0.04 0.17 0.00 0.48 0.00 0.00 55.95 56.64 1sf8 s SER 547 Cb 0.00 0.42 1.28 0.00 0.10 0.00 0.00 66.02 67.82 1sf8 s SER 547 CO 0.00 -0.65 2.13 0.00 0.98 0.00 0.00 173.24 175.70 1sf8 h THR 548 N 3.06 0.97 0.00 2.02 1.03 -1.99 0.35 112.91 118.34 1sf8 h THR 548 Ca -0.31 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 1sf8 h THR 548 Cb 1.20 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1sf8 h THR 548 CO 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.94 1sf8 n GLN 549 N -4.52 0.41 0.00 0.00 6.02 -1.26 -2.49 117.38 115.55 1sf8 n GLN 549 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1sf8 n GLN 549 Cb 0.15 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 0.41 0.00 0.16 -1.58 0.00 0.11 -2.76 120.51 116.84 1sf8 n ALA 551 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1sf8 n ALA 551 Cb 0.13 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.79 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 0.00 -0.37 0.00 1.57 -1.75 -2.92 116.57 113.10 1sf8 h LYS 552 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1sf8 h LYS 552 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1sf8 h LYS 552 CO 0.00 0.52 -0.07 1.25 -0.57 0.00 0.00 179.45 180.57 1sf8 h LEU 553 N 0.00 0.60 -0.31 2.94 5.85 -1.81 -0.64 115.31 121.94 1sf8 h LEU 553 Ca -0.01 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1sf8 h LEU 553 Cb 1.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1sf8 h LEU 553 CO 0.07 0.72 -0.12 -0.26 -0.34 0.00 0.00 178.44 178.51 1sf8 h PHE 554 N 0.58 0.72 -0.60 1.25 -1.00 -1.84 -2.14 116.94 113.92 1sf8 h PHE 554 Ca 0.11 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 1sf8 h PHE 554 Cb 0.48 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 1sf8 h PHE 554 CO 0.02 0.84 0.36 0.00 -1.61 0.00 0.00 178.31 177.91 1sf8 h ALA 555 N 0.78 0.76 0.00 2.45 0.00 -1.38 0.11 119.26 121.98 1sf8 h ALA 555 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sf8 h ALA 555 Cb 0.63 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sf8 h ALA 555 CO 0.04 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1sf8 n ALA 556 N -2.29 1.44 -0.13 0.00 0.00 -0.27 -1.31 120.51 117.94 1sf8 n ALA 556 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1sf8 n ALA 556 Cb 0.06 -1.18 0.15 0.00 0.00 0.00 0.00 19.45 18.49 1sf8 n ALA 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sf8 n ALA 557 N -1.53 2.21 -0.87 0.00 0.00 -0.48 -4.96 120.51 114.87 1sf8 n ALA 557 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1sf8 n ALA 557 Cb 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 0.58 0.85 3.92 0.00 0.00 -0.43 -5.03 105.19 105.07 1sf8 n GLY 558 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.13 3.55 0.49 1.61 -1.52 -0.10 -4.99 119.66 118.58 1sf8 s GLN 559 Ca 0.00 -0.06 -0.20 0.00 -1.95 0.00 0.00 55.36 53.15 1sf8 s GLN 559 Cb 0.00 -2.56 -0.08 0.00 -0.22 0.00 0.00 33.01 30.15 1sf8 s GLN 559 CO 0.00 0.05 1.07 0.15 -0.25 0.00 0.00 175.29 176.31 1sf8 s LYS 560 N -4.24 3.71 -0.19 2.91 1.02 -1.26 -3.55 119.74 118.15 1sf8 s LYS 560 Ca 0.44 1.45 -0.29 0.00 0.02 0.00 0.00 55.97 57.58 1sf8 s LYS 560 Cb -0.10 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1sf8 s LYS 560 CO 0.37 -0.52 1.40 0.08 -0.92 0.00 0.00 175.35 175.76 1sf8 s VAL 561 N -1.89 4.04 0.57 3.17 1.01 -1.26 -4.73 120.40 121.30 1sf8 s VAL 561 Ca 0.68 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 1sf8 s VAL 561 Cb -0.19 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1sf8 s VAL 561 CO 0.23 -0.23 1.28 -2.84 0.00 0.00 0.00 175.10 173.54 1sf8 s PRO 562 N 3.95 3.03 0.33 2.72 0.02 -1.26 -4.92 135.00 138.86 1sf8 s PRO 562 Ca 0.61 2.03 -0.29 0.00 0.02 0.00 0.00 61.00 63.37 1sf8 s PRO 562 Cb -0.23 -2.09 -0.11 0.00 0.02 0.00 0.00 34.50 32.09 1sf8 s PRO 562 CO 0.21 -1.22 1.56 -2.00 -0.33 0.00 0.00 177.00 175.23 1sf8 s GLU 563 N -3.11 4.11 -0.23 5.54 2.12 -1.26 -4.91 118.70 120.96 1sf8 s GLU 563 Ca 0.75 2.59 -0.00 0.00 0.36 0.00 0.00 54.97 58.66 1sf8 s GLU 563 Cb -0.36 -3.00 0.03 0.00 0.26 0.00 0.00 34.13 31.07 1sf8 s GLU 563 CO 0.40 -0.60 -0.11 0.08 -0.54 0.00 0.00 175.26 174.49 1sf8 s VAL 564 N -0.45 2.54 -0.54 3.70 1.01 -1.26 -5.00 120.40 120.40 1sf8 s VAL 564 Ca 0.59 -1.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1sf8 s VAL 564 Cb -0.47 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 33.68 1sf8 s VAL 564 CO 0.54 0.25 0.82 -0.54 0.00 0.00 0.00 175.10 176.18 1sf8 s LYS 565 N 1.28 3.24 0.38 2.72 -0.14 -1.26 -4.98 119.74 120.98 1sf8 s LYS 565 Ca -0.00 -0.54 -0.09 0.00 -1.36 0.00 0.00 55.97 53.98 1sf8 s LYS 565 Cb -0.16 -4.08 -0.06 0.00 -1.68 0.00 0.00 37.83 31.85 1sf8 s LYS 565 CO -0.07 -1.41 0.72 0.71 -0.76 0.00 0.00 175.35 174.54 1sf8 s TYR 566 N 3.45 3.48 -0.28 3.18 1.51 -1.26 -4.62 117.35 122.81 1sf8 s TYR 566 Ca 0.24 0.92 -0.08 0.00 -1.01 0.00 0.00 57.07 57.14 1sf8 s TYR 566 Cb -0.15 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 1sf8 s TYR 566 CO 0.16 -0.05 0.10 0.42 -1.11 0.00 0.00 175.55 175.07 1sf8 s ILE 567 N -2.34 4.37 -0.36 2.71 1.01 0.19 0.11 121.20 126.90 1sf8 s ILE 567 Ca 0.49 -0.32 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 1sf8 s ILE 567 Cb -0.10 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.24 1sf8 s ILE 567 CO 0.32 0.21 0.72 0.12 0.00 0.00 0.00 174.94 176.31 1sf8 s PHE 568 N 1.60 3.13 -0.16 3.97 5.36 -0.38 -1.72 117.98 129.78 1sf8 s PHE 568 Ca 0.05 0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 56.48 1sf8 s PHE 568 Cb -0.16 -3.29 -0.01 0.00 -0.34 0.00 0.00 43.02 39.22 1sf8 s PHE 568 CO 0.04 -0.69 -0.13 -1.21 -1.46 0.00 0.00 175.22 171.77 1sf8 s GLU 569 N 2.93 3.28 -0.03 10.12 2.02 0.19 -1.50 118.70 135.71 1sf8 s GLU 569 Ca 0.28 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1sf8 s GLU 569 Cb -0.14 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 1sf8 s GLU 569 CO 0.16 0.04 -0.00 -0.51 0.02 0.00 0.00 175.26 174.96 1sf8 s LEU 570 N 0.78 3.51 -0.54 1.80 1.43 -0.24 -0.78 118.68 124.63 1sf8 s LEU 570 Ca -0.05 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 1sf8 s LEU 570 Cb -0.15 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.19 1sf8 s LEU 570 CO 0.01 0.31 0.78 0.21 0.23 0.00 0.00 176.35 177.89 1sf8 s ASN 571 N -1.31 6.26 0.62 2.29 3.84 -0.35 -1.61 114.94 124.67 1sf8 s ASN 571 Ca 0.17 -0.74 0.40 0.00 0.21 0.00 0.00 52.86 52.90 1sf8 s ASN 571 Cb -0.11 -2.36 1.98 0.00 -0.55 0.00 0.00 41.25 40.21 1sf8 s ASN 571 CO 0.07 -1.08 2.21 -0.65 -2.79 0.00 0.00 177.10 174.86 1sf8 h PRO 572 N 9.18 0.00 0.00 0.43 0.11 -1.89 -2.05 132.00 137.78 1sf8 h PRO 572 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1sf8 h PRO 572 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1sf8 h PRO 572 CO 1.04 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.58 1sf8 n ASP 573 N -3.11 0.00 -4.78 -2.05 8.00 -1.26 -4.51 116.55 108.84 1sf8 n ASP 573 Ca -0.02 0.33 -0.39 0.00 0.71 0.00 0.00 54.79 55.43 1sf8 n ASP 573 Cb 0.17 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.89 3.90 0.24 1.24 2.46 -0.77 -4.97 115.29 114.50 1sf8 s HIS 574 Ca 0.17 1.64 -0.06 0.00 0.47 0.00 0.00 55.06 57.29 1sf8 s HIS 574 Cb 0.19 -2.78 0.32 0.00 -0.13 0.00 0.00 32.58 30.18 1sf8 s HIS 574 CO 0.49 0.50 1.85 0.28 -2.47 0.00 0.00 174.74 175.39 1sf8 h VAL 575 N 3.27 1.05 -0.17 0.89 2.07 -1.88 -0.94 116.25 120.53 1sf8 h VAL 575 Ca -0.47 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 1sf8 h VAL 575 Cb 1.20 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1sf8 h VAL 575 CO 0.66 0.18 -0.44 -0.07 0.02 0.00 0.00 177.57 177.92 1sf8 h LEU 576 N 0.98 0.45 -0.19 2.57 3.38 -1.93 -0.36 115.31 120.21 1sf8 h LEU 576 Ca 0.37 -0.20 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 1sf8 h LEU 576 Cb 0.16 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1sf8 h LEU 576 CO -0.17 0.83 -0.79 0.58 0.09 0.00 0.00 178.44 178.98 1sf8 h VAL 577 N 0.34 1.29 -0.71 1.22 2.07 -1.72 -1.32 116.25 117.43 1sf8 h VAL 577 Ca 0.03 -2.02 -0.03 0.00 0.82 0.00 0.00 66.70 65.49 1sf8 h VAL 577 Cb 0.91 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1sf8 h VAL 577 CO 0.08 0.63 0.31 0.11 0.02 0.00 0.00 177.57 178.72 1sf8 h LYS 578 N 0.49 1.04 0.09 1.57 1.57 -1.07 -1.27 116.57 119.00 1sf8 h LYS 578 Ca -0.05 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1sf8 h LYS 578 Cb 1.42 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1sf8 h LYS 578 CO 0.16 0.85 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.75 1sf8 h ARG 579 N 1.00 -0.11 -0.37 3.15 2.43 -0.95 -1.66 114.38 117.87 1sf8 h ARG 579 Ca 0.24 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.50 1sf8 h ARG 579 Cb 0.17 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 1sf8 h ARG 579 CO -0.02 -0.04 -0.21 0.00 -1.51 0.00 0.00 179.97 178.19 1sf8 h ALA 580 N 0.75 0.04 -0.63 2.80 0.00 -0.93 -0.77 119.26 120.52 1sf8 h ALA 580 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1sf8 h ALA 580 Cb 0.13 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1sf8 h ALA 580 CO 0.02 -0.59 0.42 0.00 0.00 0.00 0.00 179.25 179.10 1sf8 h ALA 581 N 1.06 1.70 0.00 0.00 0.00 -1.04 -1.89 119.26 119.09 1sf8 h ALA 581 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sf8 h ALA 581 Cb 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sf8 h ALA 581 CO -0.46 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 1sf8 n ASP 582 N -4.47 0.00 -4.67 0.00 8.00 -0.37 -4.80 116.55 110.25 1sf8 n ASP 582 Ca 0.08 0.24 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 1sf8 n ASP 582 Cb 0.16 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 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 -2.82 4.40 -0.10 -3.53 2.01 -0.71 -4.92 115.64 109.96 1sf8 s THR 583 Ca 0.19 1.69 -0.23 0.00 0.31 0.00 0.00 61.69 63.65 1sf8 s THR 583 Cb 0.19 -4.09 -0.28 0.00 0.01 0.00 0.00 72.50 68.32 1sf8 s THR 583 CO 0.48 -0.10 0.75 -0.33 -0.69 0.00 0.00 174.62 174.73 1sf8 h GLU 584 N 7.77 0.17 -6.57 4.92 5.08 -1.88 -3.44 114.58 120.63 1sf8 h GLU 584 Ca -0.27 -0.30 -0.59 0.00 -1.00 0.00 0.00 59.36 57.20 1sf8 h GLU 584 Cb 1.11 0.11 0.13 0.00 0.50 0.00 0.00 28.75 30.60 1sf8 h GLU 584 CO 0.94 1.14 0.09 -3.47 -1.00 0.00 0.00 179.01 176.71 1sf8 n ASP 585 N -4.27 1.01 -0.05 1.42 2.03 -1.26 -4.91 116.55 110.53 1sf8 n ASP 585 Ca -0.16 1.05 -0.14 0.00 0.52 0.00 0.00 54.79 56.06 1sf8 n ASP 585 Cb 0.72 -1.31 -0.12 0.00 -0.72 0.00 0.00 41.12 39.69 1sf8 n ASP 585 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1sf8 h GLU 586 N 1.54 0.02 -0.75 -0.67 5.08 -1.99 -2.49 114.58 115.32 1sf8 h GLU 586 Ca -0.43 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1sf8 h GLU 586 Cb 1.35 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 1sf8 h GLU 586 CO 0.57 0.84 0.48 0.00 -1.00 0.00 0.00 179.01 179.90 1sf8 h ALA 587 N 0.18 0.98 0.03 3.43 0.00 -1.99 -1.00 119.26 120.89 1sf8 h ALA 587 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sf8 h ALA 587 Cb 0.85 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sf8 h ALA 587 CO 0.01 0.28 -0.01 -0.22 0.00 0.00 0.00 179.25 179.31 1sf8 h LYS 588 N 0.94 -0.04 -0.86 0.00 1.63 -1.96 -0.89 116.57 115.39 1sf8 h LYS 588 Ca 0.30 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.31 1sf8 h LYS 588 Cb 0.00 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 1sf8 h LYS 588 CO -0.10 0.22 0.58 0.35 -3.45 0.00 0.00 179.45 177.05 1sf8 h PHE 589 N -0.30 0.40 -0.12 1.91 3.57 -1.10 -0.46 116.94 120.84 1sf8 h PHE 589 Ca -0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1sf8 h PHE 589 Cb 0.28 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1sf8 h PHE 589 CO 0.01 0.11 -0.32 1.03 -2.23 0.00 0.00 178.31 176.91 1sf8 h SER 590 N 0.30 0.49 -0.91 0.41 0.87 -0.54 -2.63 113.55 111.54 1sf8 h SER 590 Ca 0.44 -0.59 0.13 0.00 -1.23 0.00 0.00 61.79 60.54 1sf8 h SER 590 Cb 1.24 -0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 1sf8 h SER 590 CO -0.13 0.99 0.54 -0.33 -0.53 0.00 0.00 176.83 177.36 1sf8 h GLU 591 N 0.01 0.80 0.44 2.24 5.08 0.29 0.61 114.58 124.05 1sf8 h GLU 591 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1sf8 h GLU 591 Cb 0.93 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1sf8 h GLU 591 CO 0.07 0.53 -0.21 -1.49 -1.00 0.00 0.00 179.01 176.91 1sf8 h TRP 592 N 0.83 -0.55 -0.37 4.33 4.06 -1.40 0.13 115.95 122.99 1sf8 h TRP 592 Ca 0.47 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.48 1sf8 h TRP 592 Cb 0.53 0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 28.80 1sf8 h TRP 592 CO -0.04 -0.23 -0.05 0.28 -3.56 0.00 0.00 178.44 174.84 1sf8 h VAL 593 N -0.87 0.67 -0.64 1.49 2.07 -1.16 0.27 116.25 118.08 1sf8 h VAL 593 Ca -0.06 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1sf8 h VAL 593 Cb 0.56 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1sf8 h VAL 593 CO 0.10 0.01 0.36 -0.33 0.02 0.00 0.00 177.57 177.73 1sf8 h GLU 594 N 0.04 0.66 -0.54 1.57 4.39 -0.86 0.18 114.58 120.02 1sf8 h GLU 594 Ca 0.18 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1sf8 h GLU 594 Cb 0.26 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1sf8 h GLU 594 CO -0.34 0.44 0.09 1.25 -1.16 0.00 0.00 179.01 179.28 1sf8 h LEU 595 N 0.68 0.80 -0.20 1.33 5.85 0.71 -1.41 115.31 123.06 1sf8 h LEU 595 Ca 0.28 -0.16 -0.21 0.00 0.84 0.00 0.00 57.88 58.63 1sf8 h LEU 595 Cb 0.15 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1sf8 h LEU 595 CO -0.16 0.81 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.95 1sf8 h LEU 596 N 0.81 0.94 0.03 2.25 3.38 0.17 -2.48 115.31 120.41 1sf8 h LEU 596 Ca 0.17 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1sf8 h LEU 596 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sf8 h LEU 596 CO 0.01 1.39 -0.01 0.25 0.09 0.00 0.00 178.44 180.16 1sf8 h LEU 597 N 0.57 -0.04 -1.71 1.67 5.85 -0.51 -1.05 115.31 120.10 1sf8 h LEU 597 Ca -0.04 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1sf8 h LEU 597 Cb 1.34 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1sf8 h LEU 597 CO 0.15 0.17 0.24 0.44 -0.34 0.00 0.00 178.44 179.11 1sf8 h ASP 598 N -0.25 0.33 0.10 1.25 3.32 -1.29 0.10 116.42 119.98 1sf8 h ASP 598 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1sf8 h ASP 598 Cb 0.23 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1sf8 h ASP 598 CO 0.01 0.23 -0.05 -0.61 -1.72 0.00 0.00 179.24 177.09 1sf8 h GLN 599 N 0.38 -0.13 -0.29 3.56 4.15 -1.17 0.45 115.11 122.06 1sf8 h GLN 599 Ca 0.15 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1sf8 h GLN 599 Cb 0.11 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1sf8 h GLN 599 CO -0.03 0.11 0.18 0.00 -1.93 0.00 0.00 178.83 177.15 1sf8 h ALA 600 N 0.51 0.36 -0.58 3.38 0.00 -0.43 -1.81 119.26 120.69 1sf8 h ALA 600 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sf8 h ALA 600 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1sf8 h ALA 600 CO 0.02 -0.15 0.37 -0.07 0.00 0.00 0.00 179.25 179.43 1sf8 h LEU 601 N 0.37 0.63 -1.71 0.00 3.38 -0.63 -0.76 115.31 116.58 1sf8 h LEU 601 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sf8 h LEU 601 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1sf8 h LEU 601 CO -0.02 0.45 0.19 0.25 0.09 0.00 0.00 178.44 179.40 1sf8 h LEU 602 N 0.75 0.33 -0.23 1.67 5.85 0.28 -0.83 115.31 123.14 1sf8 h LEU 602 Ca 0.22 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.72 1sf8 h LEU 602 Cb -0.04 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 40.91 1sf8 h LEU 602 CO -0.07 0.24 -0.77 0.00 -0.34 0.00 0.00 178.44 177.51 1sf8 h ALA 603 N 1.82 0.39 0.05 1.25 0.00 -0.46 0.92 119.26 123.23 1sf8 h ALA 603 Ca 0.11 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1sf8 h ALA 603 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sf8 h ALA 603 CO -0.02 0.71 -0.03 1.49 0.00 0.00 0.00 179.25 181.40 1sf8 h GLU 604 N 0.47 -0.07 -0.05 0.00 4.57 -0.43 -3.35 114.58 115.71 1sf8 h GLU 604 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1sf8 h GLU 604 Cb 1.38 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1sf8 h GLU 604 CO 0.15 0.29 0.00 2.89 -1.18 0.00 0.00 179.01 181.16 1sf8 n ARG 605 N -4.95 1.02 -1.06 1.92 1.85 -0.39 -4.97 116.66 110.08 1sf8 n ARG 605 Ca -0.08 -1.37 -0.02 0.00 -1.00 0.00 0.00 57.85 55.38 1sf8 n ARG 605 Cb 0.21 -1.26 -0.01 0.00 -1.05 0.00 0.00 32.46 30.35 1sf8 n ARG 605 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1sf8 n GLY 606 N 0.74 0.24 3.24 2.89 0.00 0.32 -4.91 105.19 107.70 1sf8 n GLY 606 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1sf8 n GLY 606 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sf8 s THR 607 N -1.26 0.11 0.09 2.61 2.01 -1.25 -5.03 115.64 112.92 1sf8 s THR 607 Ca 0.00 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.11 1sf8 s THR 607 Cb 0.00 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1sf8 s THR 607 CO 0.00 -0.52 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.53 1sf8 s LEU 608 N -2.69 2.35 0.04 4.42 1.43 -1.26 -4.37 118.68 118.59 1sf8 s LEU 608 Ca 0.02 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.18 1sf8 s LEU 608 Cb 0.03 -0.44 -0.15 0.00 0.03 0.00 0.00 46.19 45.66 1sf8 s LEU 608 CO -0.10 -0.16 1.46 -0.08 0.23 0.00 0.00 176.35 177.71 1sf8 h GLU 609 N 3.88 0.16 -2.67 1.70 4.81 -2.00 -3.37 114.58 117.09 1sf8 h GLU 609 Ca -0.39 -0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.18 1sf8 h GLU 609 Cb 1.19 -0.01 -0.41 0.00 0.63 0.00 0.00 28.75 30.15 1sf8 h GLU 609 CO 0.47 0.43 -0.69 -3.47 -0.73 0.00 0.00 179.01 175.02 1sf8 n ASP 610 N -4.82 2.39 -0.24 1.04 -0.08 -1.26 -4.97 116.55 108.61 1sf8 n ASP 610 Ca -0.06 -3.09 0.04 0.00 -1.51 0.00 0.00 54.79 50.16 1sf8 n ASP 610 Cb 0.20 -0.69 0.14 0.00 2.34 0.00 0.00 41.12 43.10 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 5.03 0.11 -0.01 -0.67 0.11 -1.99 0.13 132.00 134.71 1sf8 h PRO 611 Ca 0.18 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1sf8 h PRO 611 Cb 0.77 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1sf8 h PRO 611 CO 0.67 0.07 -0.22 -0.91 -0.21 0.00 0.00 178.00 177.40 1sf8 h ASN 612 N 0.12 0.02 -0.26 -2.05 2.35 -1.96 -1.43 115.58 112.36 1sf8 h ASN 612 Ca 0.38 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.99 1sf8 h ASN 612 Cb 0.65 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1sf8 h ASN 612 CO -0.61 0.24 -0.33 0.25 -1.65 0.00 0.00 177.43 175.34 1sf8 h LEU 613 N 0.02 0.82 0.17 1.61 5.85 -1.40 -0.52 115.31 121.85 1sf8 h LEU 613 Ca 0.00 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1sf8 h LEU 613 Cb 0.41 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1sf8 h LEU 613 CO 0.03 1.07 -0.08 0.15 -0.34 0.00 0.00 178.44 179.27 1sf8 h PHE 614 N 0.66 -0.21 -0.45 1.25 3.57 -1.05 -0.56 116.94 120.14 1sf8 h PHE 614 Ca 0.07 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1sf8 h PHE 614 Cb 0.87 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1sf8 h PHE 614 CO 0.05 -0.07 0.26 0.82 -2.23 0.00 0.00 178.31 177.14 1sf8 h ILE 615 N -0.31 1.13 -0.01 1.41 2.04 -1.19 -2.76 117.51 117.82 1sf8 h ILE 615 Ca -0.02 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1sf8 h ILE 615 Cb 0.24 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1sf8 h ILE 615 CO 0.04 0.14 -0.01 -0.09 0.00 0.00 0.00 178.15 178.23 1sf8 h ARG 616 N 0.61 0.02 -1.70 2.37 2.43 -0.70 -2.27 114.38 115.15 1sf8 h ARG 616 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1sf8 h ARG 616 Cb -0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1sf8 h ARG 616 CO -0.03 0.47 0.00 2.89 -1.51 0.00 0.00 179.97 181.79 1sf8 n ARG 617 N -4.85 0.39 0.00 0.20 1.85 -0.25 -1.54 116.66 112.45 1sf8 n ARG 617 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1sf8 n ARG 617 Cb 0.24 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 1sf8 n ARG 617 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1sf8 n ASN 619 N 1.04 0.00 -0.19 2.89 3.02 -0.86 -2.33 115.26 118.84 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 0.20 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.38 1sf8 n ASN 619 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1sf8 h GLN 620 N 0.00 1.00 0.00 3.52 5.75 -1.54 -2.11 115.11 121.73 1sf8 h GLN 620 Ca 0.00 -0.35 0.00 0.00 -0.15 0.00 0.00 58.65 58.15 1sf8 h GLN 620 Cb 0.00 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1sf8 h GLN 620 CO 0.00 1.03 0.00 -0.07 -2.65 0.00 0.00 178.83 177.14 1sf8 h LEU 621 N 0.88 0.00 -0.02 -2.39 3.38 -1.75 -2.59 115.31 112.82 1sf8 h LEU 621 Ca 0.15 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1sf8 h LEU 621 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1sf8 h LEU 621 CO 0.04 0.00 -0.22 -0.07 0.09 0.00 0.00 178.44 178.28 1sf8 h LEU 622 N 0.00 0.00 0.00 1.67 3.38 -1.69 -3.32 115.31 115.35 1sf8 h LEU 622 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1sf8 h LEU 622 Cb 0.76 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1sf8 h LEU 622 CO 0.00 0.22 -2.19 0.52 0.09 0.00 0.00 178.44 177.07 1sf8 n VAL 623 N -3.16 0.82 1.43 1.22 0.31 -0.85 -5.07 118.33 113.04 1sf8 n VAL 623 Ca 0.03 -0.69 0.11 0.00 -0.01 0.00 0.00 64.34 63.78 1sf8 n VAL 623 Cb 0.62 -0.29 0.68 0.00 -0.91 0.00 0.00 33.84 33.94 1sf8 n VAL 623 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97