#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnl s LYS 515 N 0.00 3.60 0.30 1.61 0.00 -0.91 -4.69 119.74 119.65 2pnl s LYS 515 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 55.97 55.71 2pnl s LYS 515 Cb 0.00 -3.18 -0.13 0.00 0.00 0.00 0.00 37.83 34.52 2pnl s LYS 515 CO 0.00 0.73 1.32 0.34 0.00 0.00 0.00 175.35 177.74 2pnl n PHE 516 N 1.78 2.17 -3.50 1.78 -0.00 -1.25 -1.82 117.46 116.62 2pnl n PHE 516 Ca -0.17 0.52 -0.25 0.00 -0.00 0.00 0.00 57.45 57.55 2pnl n PHE 516 Cb 0.54 -2.42 -0.13 0.00 -0.00 0.00 0.00 39.48 37.46 2pnl n PHE 516 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2pnl s SER 517 N -0.09 2.91 0.26 -2.13 0.15 0.00 -4.81 113.70 109.99 2pnl s SER 517 Ca 0.60 -1.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.11 2pnl s SER 517 Cb -0.61 -0.07 0.30 0.00 -1.71 0.00 0.00 66.02 63.93 2pnl s SER 517 CO 0.57 -0.42 1.90 -0.09 1.20 0.00 0.00 173.24 176.40 2pnl h ARG 518 N 8.36 1.19 -0.21 5.44 9.65 -1.94 -1.21 114.38 135.67 2pnl h ARG 518 Ca -0.18 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.55 2pnl h ARG 518 Cb 1.03 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 2pnl h ARG 518 CO 0.40 0.84 0.00 0.00 2.80 0.00 0.00 179.97 184.02 2pnl h ALA 519 N 1.35 0.28 0.30 2.80 0.00 -1.98 0.63 119.26 122.64 2pnl h ALA 519 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pnl h ALA 519 Cb -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2pnl h ALA 519 CO -0.06 -0.01 -0.47 1.25 0.00 0.00 0.00 179.25 179.97 2pnl h LEU 520 N 0.13 -1.34 -0.93 0.00 6.46 -1.93 -0.33 115.31 117.36 2pnl h LEU 520 Ca 0.06 0.13 0.28 0.00 -0.12 0.00 0.00 57.88 58.23 2pnl h LEU 520 Cb 0.39 0.47 -0.15 0.00 -0.73 0.00 0.00 40.66 40.64 2pnl h LEU 520 CO 0.01 -0.58 0.30 0.50 -0.62 0.00 0.00 178.44 178.06 2pnl h LYS 521 N -0.82 0.17 0.03 1.25 3.64 -1.10 0.90 116.57 120.64 2pnl h LYS 521 Ca -0.02 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 2pnl h LYS 521 Cb 0.77 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2pnl h LYS 521 CO -0.16 0.11 -0.99 -0.91 -2.27 0.00 0.00 179.45 175.23 2pnl h ASN 522 N 0.17 0.29 0.48 4.20 2.35 -0.34 -2.53 115.58 120.20 2pnl h ASN 522 Ca 0.63 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 2pnl h ASN 522 Cb 1.37 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2pnl h ASN 522 CO -0.70 1.12 -0.23 0.03 -1.65 0.00 0.00 177.43 175.99 2pnl h ARG 523 N 0.10 -0.62 -0.17 0.81 3.08 0.84 -2.78 114.38 115.64 2pnl h ARG 523 Ca -0.07 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2pnl h ARG 523 Cb 1.66 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.85 2pnl h ARG 523 CO 0.15 -0.33 -0.04 -0.07 -1.07 0.00 0.00 179.97 178.61 2pnl h LEU 524 N -0.82 0.32 -1.74 3.04 3.38 -1.12 -3.16 115.31 115.21 2pnl h LEU 524 Ca -0.07 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2pnl h LEU 524 Cb 0.57 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2pnl h LEU 524 CO 0.11 0.62 -0.08 -0.33 0.09 0.00 0.00 178.44 178.85 2pnl h GLU 525 N 0.03 0.00 0.00 1.13 5.08 -1.57 -1.84 114.58 117.41 2pnl h GLU 525 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2pnl h GLU 525 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2pnl h GLU 525 CO 0.02 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 176.97 2pnl n SER 526 N -3.29 0.21 -0.47 1.42 3.41 -1.05 -0.99 113.62 112.85 2pnl n SER 526 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 2pnl n SER 526 Cb 0.28 -0.61 0.16 0.00 -0.26 0.00 0.00 64.21 63.78 2pnl n SER 526 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pnl n ALA 527 N -1.59 3.23 -1.66 7.33 0.00 -0.69 -4.94 120.51 122.19 2pnl n ALA 527 Ca 0.01 -0.56 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 2pnl n ALA 527 Cb 0.11 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.67 2pnl n ALA 527 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnl n ASN 528 N -0.05 1.56 -3.79 0.00 5.03 -0.16 -4.55 115.26 113.29 2pnl n ASN 528 Ca 0.11 0.93 -0.08 0.00 0.87 0.00 0.00 54.58 56.41 2pnl n ASN 528 Cb 0.44 -1.44 -0.02 0.00 -1.02 0.00 0.00 39.78 37.73 2pnl n ASN 528 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2pnl s TYR 529 N -1.38 -0.22 -1.12 3.10 -0.85 0.17 -5.00 117.35 112.04 2pnl s TYR 529 Ca 0.71 -0.19 -0.22 0.00 -0.52 0.00 0.00 57.07 56.85 2pnl s TYR 529 Cb -0.45 0.65 -0.00 0.00 0.38 0.00 0.00 41.96 42.53 2pnl s TYR 529 CO 0.50 -1.15 0.78 0.39 -1.52 0.00 0.00 175.55 174.55 2pnl n GLU 530 N -0.44 -1.10 -2.95 -3.49 1.02 -1.26 -1.47 120.64 110.94 2pnl n GLU 530 Ca -0.06 0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 57.17 2pnl n GLU 530 Cb 0.60 -3.90 -0.06 0.00 -0.02 0.00 0.00 31.44 28.06 2pnl n GLU 530 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2pnl s GLU 531 N -6.04 4.37 0.28 3.49 -6.30 -1.26 -3.87 118.70 109.37 2pnl s GLU 531 Ca 0.45 1.06 0.09 0.00 -2.50 0.00 0.00 54.97 54.07 2pnl s GLU 531 Cb -0.17 -2.76 -0.06 0.00 0.00 0.00 0.00 34.13 31.14 2pnl s GLU 531 CO 0.87 0.30 -0.11 0.54 0.02 0.00 0.00 175.26 176.88 2pnl s VAL 532 N -1.64 1.97 -0.35 3.70 0.11 0.81 -4.98 120.40 120.03 2pnl s VAL 532 Ca 0.48 -2.22 -0.08 0.00 -2.93 0.00 0.00 61.98 57.22 2pnl s VAL 532 Cb -0.16 -2.38 0.03 0.00 -1.53 0.00 0.00 36.38 32.34 2pnl s VAL 532 CO 0.21 -0.36 0.15 -0.70 -3.33 0.00 0.00 175.10 171.07 2pnl s GLU 533 N -3.64 2.80 0.16 1.54 2.56 -1.26 -2.43 118.70 118.42 2pnl s GLU 533 Ca 0.29 -1.08 -0.12 0.00 0.00 0.00 0.00 54.97 54.06 2pnl s GLU 533 Cb 0.01 -3.57 -0.07 0.00 2.00 0.00 0.00 34.13 32.50 2pnl s GLU 533 CO 0.12 -0.64 0.51 -0.51 -0.56 0.00 0.00 175.26 174.19 2pnl s LEU 534 N 1.49 4.29 0.71 2.70 1.43 0.46 -4.98 118.68 124.76 2pnl s LEU 534 Ca 0.01 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 2pnl s LEU 534 Cb -0.19 -3.34 0.02 0.00 0.03 0.00 0.00 46.19 42.71 2pnl s LEU 534 CO 0.05 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 2pnl s PRO 535 N -2.24 2.61 0.21 1.29 0.04 -1.26 -1.59 135.00 134.07 2pnl s PRO 535 Ca 0.40 1.21 -0.32 0.00 0.04 0.00 0.00 61.00 62.33 2pnl s PRO 535 Cb -0.13 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 2pnl s PRO 535 CO 0.20 -1.37 1.69 -2.30 0.04 0.00 0.00 177.00 175.26 2pnl n PRO 536 N -2.99 2.70 -2.25 0.56 -0.02 -1.26 -4.52 135.00 127.22 2pnl n PRO 536 Ca 0.09 0.97 -0.38 0.00 -2.02 0.00 0.00 63.50 62.16 2pnl n PRO 536 Cb 0.53 -2.81 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 2pnl n PRO 536 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2pnl s PRO 537 N 0.96 4.05 0.29 0.52 0.02 -1.26 -4.94 135.00 134.63 2pnl s PRO 537 Ca 0.74 1.89 0.01 0.00 0.02 0.00 0.00 61.00 63.66 2pnl s PRO 537 Cb -0.52 -2.70 0.52 0.00 0.02 0.00 0.00 34.50 31.82 2pnl s PRO 537 CO 0.35 -0.34 1.87 0.66 -0.33 0.00 0.00 177.00 179.20 2pnl h SER 538 N 2.67 0.94 -5.52 2.53 4.64 -1.93 -3.39 113.55 113.48 2pnl h SER 538 Ca -0.49 0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 60.64 2pnl h SER 538 Cb 1.24 -0.17 -0.12 0.00 -0.31 0.00 0.00 62.40 63.04 2pnl h SER 538 CO 0.63 0.55 -0.39 -1.59 -0.87 0.00 0.00 176.83 175.15 2pnl s LYS 539 N -5.95 1.48 0.00 4.77 -2.85 -1.26 -0.40 119.74 115.52 2pnl s LYS 539 Ca -0.12 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.26 2pnl s LYS 539 Cb 0.21 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 2pnl s LYS 539 CO 0.81 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 176.11 2pnl n GLY 540 N -0.39 1.04 3.12 0.59 0.00 -1.07 -4.21 105.19 104.27 2pnl n GLY 540 Ca 0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 2pnl n GLY 540 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnl s VAL 541 N -2.00 0.91 -0.07 1.61 0.11 -1.10 -4.06 120.40 115.80 2pnl s VAL 541 Ca 0.00 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 57.96 2pnl s VAL 541 Cb 0.00 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2pnl s VAL 541 CO 0.00 -0.22 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.68 2pnl s ILE 542 N -1.19 1.94 0.11 7.04 1.01 -1.26 -0.37 121.20 128.47 2pnl s ILE 542 Ca -0.04 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.66 2pnl s ILE 542 Cb -0.09 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2pnl s ILE 542 CO 0.01 0.54 -0.09 -0.69 0.00 0.00 0.00 174.94 174.71 2pnl s VAL 543 N 0.02 0.92 0.12 2.92 1.01 0.04 -2.23 120.40 123.19 2pnl s VAL 543 Ca -0.08 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.11 2pnl s VAL 543 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2pnl s VAL 543 CO 0.05 -0.68 0.28 -2.16 0.00 0.00 0.00 175.10 172.59 2pnl s PRO 544 N -3.23 3.47 -0.03 2.72 0.04 -1.26 0.67 135.00 137.38 2pnl s PRO 544 Ca 0.09 -0.44 0.04 0.00 0.04 0.00 0.00 61.00 60.73 2pnl s PRO 544 Cb 0.00 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2pnl s PRO 544 CO -0.01 0.53 -0.15 0.08 0.04 0.00 0.00 177.00 177.49 2pnl s VAL 545 N -1.66 1.21 -0.16 -0.36 1.01 0.12 -4.91 120.40 115.64 2pnl s VAL 545 Ca 0.36 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2pnl s VAL 545 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2pnl s VAL 545 CO 0.28 0.35 0.14 -0.69 0.00 0.00 0.00 175.10 175.17 2pnl s VAL 546 N -0.11 5.46 -0.06 2.92 1.01 -1.26 -0.88 120.40 127.48 2pnl s VAL 546 Ca 0.01 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.24 2pnl s VAL 546 Cb -0.08 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2pnl s VAL 546 CO 0.01 0.54 -0.20 -1.00 0.00 0.00 0.00 175.10 174.44 2pnl s HIS 547 N -0.40 2.55 0.17 5.22 3.76 0.13 -4.97 115.29 121.75 2pnl s HIS 547 Ca 0.12 -0.49 -0.09 0.00 -0.15 0.00 0.00 55.06 54.45 2pnl s HIS 547 Cb -0.12 -1.63 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 2pnl s HIS 547 CO 0.01 -0.06 0.29 -0.08 -0.85 0.00 0.00 174.74 174.05 2pnl s THR 548 N -0.35 0.06 -0.12 1.30 -1.32 -1.26 -2.43 115.64 111.52 2pnl s THR 548 Ca 0.02 -1.38 -0.23 0.00 -1.21 0.00 0.00 61.69 58.89 2pnl s THR 548 Cb -0.12 -1.85 0.05 0.00 -1.51 0.00 0.00 72.50 69.07 2pnl s THR 548 CO 0.02 -0.29 0.56 0.54 -2.21 0.00 0.00 174.62 173.25 2pnl s VAL 549 N -3.97 0.01 0.38 5.08 0.11 -1.26 -5.07 120.40 115.68 2pnl s VAL 549 Ca 0.17 -0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.20 2pnl s VAL 549 Cb 0.03 -0.84 0.22 0.00 -1.53 0.00 0.00 36.38 34.26 2pnl s VAL 549 CO 0.00 -0.05 1.98 0.50 -3.33 0.00 0.00 175.10 174.21 2pnl h LYS 550 N 4.22 0.49 -0.00 1.54 1.63 -1.99 -1.92 116.57 120.54 2pnl h LYS 550 Ca -0.28 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2pnl h LYS 550 Cb 1.16 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2pnl h LYS 550 CO 0.27 0.42 -0.02 -1.13 -3.45 0.00 0.00 179.45 175.54 2pnl n SER 551 N -4.39 0.28 -3.28 4.20 3.41 -1.26 -3.94 113.62 108.65 2pnl n SER 551 Ca 0.02 -0.79 -0.26 0.00 -0.26 0.00 0.00 58.87 57.58 2pnl n SER 551 Cb 0.14 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 2pnl n SER 551 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pnl n ALA 552 N -0.91 3.64 -0.02 7.33 0.00 -0.72 -5.00 120.51 124.83 2pnl n ALA 552 Ca 0.19 -4.34 -0.09 0.00 0.00 0.00 0.00 53.44 49.19 2pnl n ALA 552 Cb 0.20 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2pnl n ALA 552 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2pnl h PRO 553 N 3.87 0.02 0.00 0.00 0.13 -1.74 -2.43 132.00 131.85 2pnl h PRO 553 Ca 0.15 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2pnl h PRO 553 Cb 0.71 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 2pnl h PRO 553 CO 0.72 0.01 -0.01 0.78 -0.23 0.00 0.00 178.00 179.27 2pnl h GLY 554 N 0.02 0.00 -3.85 1.56 0.00 -1.94 -3.36 103.07 95.49 2pnl h GLY 554 Ca 0.07 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.79 2pnl h GLY 554 CO -0.14 0.00 -0.64 -0.54 0.00 0.00 0.00 176.54 175.22 2pnl s GLU 555 N -4.30 2.53 0.09 4.80 2.02 -0.92 0.09 118.70 123.02 2pnl s GLU 555 Ca -0.04 -0.99 -0.12 0.00 0.02 0.00 0.00 54.97 53.83 2pnl s GLU 555 Cb 0.14 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.92 2pnl s GLU 555 CO 0.48 0.48 0.28 0.00 0.02 0.00 0.00 175.26 176.52 2pnl s ALA 556 N -1.62 -0.53 0.23 5.21 0.00 -0.76 -4.18 121.76 120.11 2pnl s ALA 556 Ca 0.28 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 2pnl s ALA 556 Cb -0.10 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2pnl s ALA 556 CO 0.19 -0.52 0.31 -0.59 0.00 0.00 0.00 175.76 175.15 2pnl s PHE 557 N -3.53 0.81 0.34 0.00 -0.12 -1.02 -0.82 117.98 113.65 2pnl s PHE 557 Ca 0.02 -1.09 0.07 0.00 -0.05 0.00 0.00 56.93 55.88 2pnl s PHE 557 Cb 0.03 -0.21 -0.07 0.00 -0.63 0.00 0.00 43.02 42.14 2pnl s PHE 557 CO -0.09 -0.83 -0.02 0.20 -0.05 0.00 0.00 175.22 174.42 2pnl s GLY 558 N -3.11 2.14 0.00 1.99 0.00 -1.26 0.20 107.32 107.29 2pnl s GLY 558 Ca 0.31 -2.09 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2pnl s GLY 558 CO 0.11 -1.95 0.00 -1.14 0.00 0.00 0.00 173.10 170.13 2pnl n SER 559 N -0.75 0.00 -4.19 1.64 3.41 -0.06 -4.74 113.62 108.93 2pnl n SER 559 Ca -0.05 -0.91 -0.24 0.00 -0.26 0.00 0.00 58.87 57.41 2pnl n SER 559 Cb 0.65 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.45 2pnl n SER 559 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pnl s LEU 560 N 0.00 2.10 -0.08 1.04 1.43 -1.26 0.11 118.68 122.01 2pnl s LEU 560 Ca 0.00 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2pnl s LEU 560 Cb 0.00 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.36 2pnl s LEU 560 CO 0.00 0.17 -0.20 0.00 0.23 0.00 0.00 176.35 176.54 2pnl s ALA 561 N -0.60 1.86 -0.14 4.21 0.00 0.21 -0.03 121.76 127.27 2pnl s ALA 561 Ca 0.06 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 2pnl s ALA 561 Cb -0.07 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2pnl s ALA 561 CO 0.00 0.26 0.07 -1.50 0.00 0.00 0.00 175.76 174.60 2pnl s ILE 562 N 0.31 4.86 -0.26 0.00 2.07 0.81 -0.78 121.20 128.21 2pnl s ILE 562 Ca -0.14 -0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.04 2pnl s ILE 562 Cb -0.16 -3.13 0.01 0.00 0.13 0.00 0.00 42.46 39.31 2pnl s ILE 562 CO 0.06 0.54 -0.01 -0.63 -1.91 0.00 0.00 174.94 172.99 2pnl s ILE 563 N -0.32 3.34 0.18 2.00 1.01 0.50 -0.85 121.20 127.07 2pnl s ILE 563 Ca 0.09 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.00 2pnl s ILE 563 Cb -0.12 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2pnl s ILE 563 CO 0.02 0.19 -0.16 0.27 0.00 0.00 0.00 174.94 175.26 2pnl s ILE 564 N 1.41 1.73 0.27 2.92 -4.36 -0.86 -2.71 121.20 119.61 2pnl s ILE 564 Ca 0.02 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.07 2pnl s ILE 564 Cb -0.16 -1.91 -0.10 0.00 1.25 0.00 0.00 42.46 41.54 2pnl s ILE 564 CO -0.02 -0.47 1.26 -2.84 0.24 0.00 0.00 174.94 173.12 2pnl s PRO 565 N -3.20 4.43 0.00 0.37 0.02 -1.26 -1.90 135.00 133.46 2pnl s PRO 565 Ca 0.18 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2pnl s PRO 565 Cb -0.03 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2pnl s PRO 565 CO 0.06 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 2pnl n GLY 566 N 1.42 1.01 3.40 0.52 0.00 0.35 -4.85 105.19 107.04 2pnl n GLY 566 Ca 0.02 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.69 2pnl n GLY 566 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 567 N -2.22 3.01 -0.57 1.61 2.02 -1.26 -2.79 118.70 118.49 2pnl s GLU 567 Ca 0.00 -1.25 0.04 0.00 0.02 0.00 0.00 54.97 53.79 2pnl s GLU 567 Cb 0.00 -4.12 0.36 0.00 0.10 0.00 0.00 34.13 30.47 2pnl s GLU 567 CO 0.00 -1.05 1.08 0.66 0.02 0.00 0.00 175.26 175.96 2pnl n TYR 568 N 5.39 3.77 0.07 1.61 4.01 -1.26 -4.86 117.16 125.89 2pnl n TYR 568 Ca -0.11 -3.61 -0.12 0.00 -0.16 0.00 0.00 57.90 53.90 2pnl n TYR 568 Cb 0.44 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 2pnl n TYR 568 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2pnl h PRO 569 N 2.92 0.33 -0.63 -0.72 0.13 -1.95 -2.38 132.00 129.70 2pnl h PRO 569 Ca 0.22 -0.35 0.18 0.00 -0.87 0.00 0.00 66.00 65.18 2pnl h PRO 569 Cb 0.61 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 2pnl h PRO 569 CO 0.87 1.05 0.75 1.05 -0.23 0.00 0.00 178.00 181.48 2pnl h GLU 570 N 0.18 0.00 -0.02 0.86 9.09 -2.00 0.64 114.58 123.34 2pnl h GLU 570 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2pnl h GLU 570 Cb 1.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.65 2pnl h GLU 570 CO 0.15 0.00 -0.00 1.28 0.05 0.00 0.00 179.01 180.49 2pnl n LEU 571 N -3.47 1.60 -4.77 3.06 4.77 -0.90 -4.88 117.00 112.41 2pnl n LEU 571 Ca 0.13 -0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 55.26 2pnl n LEU 571 Cb 0.97 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.99 2pnl n LEU 571 CO 0.25 0.27 -0.26 -0.76 -1.33 0.00 0.00 177.39 175.55 2pnl s LEU 572 N -2.01 3.82 0.45 2.23 1.43 0.22 -4.60 118.68 120.23 2pnl s LEU 572 Ca 0.37 0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 53.29 2pnl s LEU 572 Cb 0.21 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 2pnl s LEU 572 CO 0.34 0.23 1.43 -0.67 0.23 0.00 0.00 176.35 177.91 2pnl n ASP 573 N 0.92 3.34 0.26 2.29 2.03 -1.26 -4.84 116.55 119.29 2pnl n ASP 573 Ca -0.11 1.13 0.14 0.00 0.52 0.00 0.00 54.79 56.46 2pnl n ASP 573 Cb 0.52 -1.60 0.71 0.00 -0.72 0.00 0.00 41.12 40.03 2pnl n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pnl h ALA 574 N 2.32 1.16 0.00 -1.67 0.00 -1.92 0.18 119.26 119.33 2pnl h ALA 574 Ca -0.51 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2pnl h ALA 574 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2pnl h ALA 574 CO 0.61 0.14 0.00 0.09 0.00 0.00 0.00 179.25 180.09 2pnl n ASN 575 N -3.45 0.60 -0.31 0.00 4.13 -1.26 -2.02 115.26 112.94 2pnl n ASN 575 Ca -0.01 0.64 0.10 0.00 1.68 0.00 0.00 54.58 57.00 2pnl n ASN 575 Cb 0.27 -0.77 -0.05 0.00 -1.54 0.00 0.00 39.78 37.69 2pnl n ASN 575 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pnl n GLN 576 N -2.16 0.82 -1.00 3.52 6.02 0.61 -3.49 117.38 121.70 2pnl n GLN 576 Ca 0.02 -0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 56.07 2pnl n GLN 576 Cb 0.23 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 2pnl n GLN 576 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pnl n GLN 577 N -0.57 2.04 -4.37 -1.09 6.02 -0.86 -3.29 117.38 115.26 2pnl n GLN 577 Ca 0.07 -1.73 -0.25 0.00 -0.01 0.00 0.00 57.00 55.08 2pnl n GLN 577 Cb 0.41 -2.70 -0.12 0.00 1.02 0.00 0.00 30.24 28.85 2pnl n GLN 577 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pnl s VAL 578 N 3.88 2.07 -0.08 5.09 1.01 -1.26 -4.99 120.40 126.12 2pnl s VAL 578 Ca 0.48 -1.88 0.04 0.00 0.00 0.00 0.00 61.98 60.63 2pnl s VAL 578 Cb 0.12 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2pnl s VAL 578 CO 0.01 -0.14 -0.20 -0.22 0.00 0.00 0.00 175.10 174.55 2pnl s LEU 579 N -2.45 2.34 -0.08 3.92 2.96 -1.26 -1.26 118.68 122.85 2pnl s LEU 579 Ca 0.16 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2pnl s LEU 579 Cb -0.08 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.17 2pnl s LEU 579 CO 0.07 0.22 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.87 2pnl s SER 580 N -0.03 1.63 -0.04 3.68 0.01 -0.96 -4.96 113.70 113.03 2pnl s SER 580 Ca -0.06 -0.12 -0.10 0.00 1.31 0.00 0.00 55.95 56.98 2pnl s SER 580 Cb -0.15 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 2pnl s SER 580 CO 0.05 -0.17 0.27 -1.00 0.41 0.00 0.00 173.24 172.80 2pnl s HIS 581 N 1.84 3.64 0.41 2.43 0.09 -1.26 -0.39 115.29 122.06 2pnl s HIS 581 Ca 0.04 0.71 -0.25 0.00 -0.00 0.00 0.00 55.06 55.56 2pnl s HIS 581 Cb -0.12 -2.08 -0.08 0.00 -0.00 0.00 0.00 32.58 30.29 2pnl s HIS 581 CO -0.05 0.67 1.21 -0.06 -0.00 0.00 0.00 174.74 176.50 2pnl s PHE 582 N -1.13 2.95 0.26 1.40 0.40 0.85 -2.52 117.98 120.19 2pnl s PHE 582 Ca 0.22 1.51 -0.27 0.00 -0.60 0.00 0.00 56.93 57.79 2pnl s PHE 582 Cb -0.14 -3.48 -0.16 0.00 0.51 0.00 0.00 43.02 39.75 2pnl s PHE 582 CO 0.11 -1.60 0.56 0.00 0.70 0.00 0.00 175.22 174.99 2pnl n ALA 583 N -0.03 -2.34 -0.85 5.36 0.00 -0.50 -4.32 120.51 117.84 2pnl n ALA 583 Ca 0.05 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.91 2pnl n ALA 583 Cb 0.46 -1.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 2pnl n ALA 583 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnl n ASN 584 N 1.85 -5.09 -3.15 0.00 3.02 -1.26 -3.90 115.26 106.74 2pnl n ASN 584 Ca 0.15 0.36 -0.35 0.00 -0.03 0.00 0.00 54.58 54.71 2pnl n ASN 584 Cb 0.29 -1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 38.38 2pnl n ASN 584 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pnl n ASP 585 N -3.59 7.75 -0.17 6.41 4.64 -1.26 -4.54 116.55 125.79 2pnl n ASP 585 Ca 0.00 -2.95 0.05 0.00 -1.38 0.00 0.00 54.79 50.51 2pnl n ASP 585 Cb 0.15 -1.39 0.10 0.00 -1.04 0.00 0.00 41.12 38.93 2pnl n ASP 585 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2pnl n THR 586 N 2.11 1.49 0.00 5.18 -2.24 -1.25 -4.93 114.28 114.65 2pnl n THR 586 Ca 0.63 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 2pnl n THR 586 Cb 0.35 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2pnl n THR 586 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnl n GLY 587 N -0.81 2.86 3.28 3.38 0.00 -1.26 -0.41 105.19 112.23 2pnl n GLY 587 Ca 0.10 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 2pnl n GLY 587 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pnl s SER 588 N 0.00 0.04 -0.07 1.61 0.01 -1.26 -0.11 113.70 113.93 2pnl s SER 588 Ca 0.00 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 2pnl s SER 588 Cb 0.00 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.66 2pnl s SER 588 CO 0.00 -0.82 0.03 -0.69 0.41 0.00 0.00 173.24 172.17 2pnl s VAL 589 N -3.90 0.14 0.47 3.43 1.01 0.48 -0.91 120.40 121.11 2pnl s VAL 589 Ca 0.10 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 2pnl s VAL 589 Cb 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 2pnl s VAL 589 CO -0.06 0.17 1.39 0.26 0.00 0.00 0.00 175.10 176.86 2pnl s TRP 590 N 2.07 2.45 0.00 5.22 0.52 0.15 -2.27 118.94 127.09 2pnl s TRP 590 Ca 0.05 1.31 0.00 0.00 0.02 0.00 0.00 56.10 57.48 2pnl s TRP 590 Cb -0.13 -3.85 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 2pnl s TRP 590 CO -0.05 -2.81 0.00 0.41 0.02 0.00 0.00 176.95 174.52 2pnl n GLY 591 N 0.62 2.16 3.87 0.98 0.00 -0.39 -0.06 105.19 112.38 2pnl n GLY 591 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2pnl n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnl s ILE 592 N -2.58 5.05 0.00 -0.61 1.01 -1.25 -2.02 121.20 120.79 2pnl s ILE 592 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 2pnl s ILE 592 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 2pnl s ILE 592 CO 0.00 0.18 0.71 1.23 0.00 0.00 0.00 174.94 177.06 2pnl h GLY 593 N 3.34 -0.17 -1.75 6.18 0.00 -0.54 -3.40 103.07 106.73 2pnl h GLY 593 Ca -0.48 0.06 -0.51 0.00 0.00 0.00 0.00 47.33 46.40 2pnl h GLY 593 CO 0.68 -0.06 -0.27 -1.83 0.00 0.00 0.00 176.54 175.06 2pnl s GLU 594 N -2.68 2.41 0.54 4.80 1.03 -1.26 -4.87 118.70 118.68 2pnl s GLU 594 Ca -0.02 -1.69 -0.18 0.00 0.03 0.00 0.00 54.97 53.10 2pnl s GLU 594 Cb 0.00 -2.40 -0.06 0.00 -0.80 0.00 0.00 34.13 30.88 2pnl s GLU 594 CO 0.07 -0.51 1.07 -0.51 -1.33 0.00 0.00 175.26 174.05 2pnl s ASP 595 N -4.34 5.95 -0.23 0.83 1.01 -1.26 -4.67 116.67 113.97 2pnl s ASP 595 Ca 0.48 1.94 -0.10 0.00 0.71 0.00 0.00 52.55 55.58 2pnl s ASP 595 Cb -0.04 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 2pnl s ASP 595 CO 0.29 -1.05 0.13 0.27 0.21 0.00 0.00 175.17 175.02 2pnl s ILE 596 N -2.13 5.18 -0.71 0.77 -4.36 -1.05 -4.99 121.20 113.91 2pnl s ILE 596 Ca 0.67 0.11 0.00 0.00 -0.26 0.00 0.00 60.65 61.17 2pnl s ILE 596 Cb -0.18 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.14 2pnl s ILE 596 CO 0.28 0.37 0.46 -2.65 0.24 0.00 0.00 174.94 173.64 2pnl n PRO 597 N 4.13 0.71 -4.13 0.37 -0.02 -1.26 -2.27 135.00 132.53 2pnl n PRO 597 Ca -0.15 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.22 2pnl n PRO 597 Cb 0.52 -1.29 -0.09 0.00 -0.02 0.00 0.00 33.50 32.61 2pnl n PRO 597 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2pnl s PHE 598 N -0.62 0.84 0.50 6.00 -0.12 -1.26 -4.84 117.98 118.48 2pnl s PHE 598 Ca 0.00 -1.18 -0.21 0.00 -0.05 0.00 0.00 56.93 55.49 2pnl s PHE 598 Cb 0.00 -0.42 -0.07 0.00 -0.63 0.00 0.00 43.02 41.91 2pnl s PHE 598 CO 0.00 -0.59 1.13 -1.21 -0.05 0.00 0.00 175.22 174.50 2pnl s GLU 599 N -4.06 3.59 0.00 1.99 0.41 -1.26 -1.41 118.70 117.96 2pnl s GLU 599 Ca 0.26 1.64 0.00 0.00 -0.41 0.00 0.00 54.97 56.46 2pnl s GLU 599 Cb 0.07 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.23 2pnl s GLU 599 CO 0.04 -0.66 0.00 0.41 -0.49 0.00 0.00 175.26 174.56 2pnl n GLY 600 N 0.22 2.47 2.04 -1.39 0.00 -1.25 -4.90 105.19 102.39 2pnl n GLY 600 Ca 0.09 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 2pnl n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pnl n ASP 601 N 0.00 5.15 -3.07 1.61 5.75 -1.18 -4.91 116.55 119.91 2pnl n ASP 601 Ca 0.00 -3.75 -0.11 0.00 -0.01 0.00 0.00 54.79 50.92 2pnl n ASP 601 Cb 0.00 -0.39 0.01 0.00 -1.03 0.00 0.00 41.12 39.71 2pnl n ASP 601 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2pnl n ASN 602 N -0.73 -7.36 -4.02 -1.12 5.03 0.45 -5.01 115.26 102.50 2pnl n ASN 602 Ca 0.46 0.16 -0.21 0.00 0.87 0.00 0.00 54.58 55.86 2pnl n ASN 602 Cb 0.94 -4.60 -0.15 0.00 -1.02 0.00 0.00 39.78 34.95 2pnl n ASN 602 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pnl s TYR 605 N 0.10 1.67 -0.06 0.00 2.02 -0.09 0.13 117.35 121.12 2pnl s TYR 605 Ca -0.02 -0.99 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 2pnl s TYR 605 Cb -0.08 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 2pnl s TYR 605 CO 0.00 -0.09 -0.04 0.99 -1.57 0.00 0.00 175.55 174.85 2pnl s THR 606 N -3.46 0.61 -0.43 -0.71 2.01 -0.80 -0.67 115.64 112.20 2pnl s THR 606 Ca 0.33 -0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 2pnl s THR 606 Cb 0.07 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.94 2pnl s THR 606 CO 0.12 0.27 0.99 0.00 -0.69 0.00 0.00 174.62 175.30 2pnl s ALA 607 N 1.32 3.29 -0.14 7.40 0.00 0.91 -2.03 121.76 132.51 2pnl s ALA 607 Ca -0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 2pnl s ALA 607 Cb -0.14 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 2pnl s ALA 607 CO -0.02 -1.92 -0.08 -0.51 0.00 0.00 0.00 175.76 173.22 2pnl s LEU 608 N 3.83 2.98 -0.02 0.00 2.01 -0.03 -4.64 118.68 122.81 2pnl s LEU 608 Ca 0.41 -0.22 -0.40 0.00 0.01 0.00 0.00 54.13 53.92 2pnl s LEU 608 Cb -0.10 -1.69 -0.19 0.00 0.01 0.00 0.00 46.19 44.21 2pnl s LEU 608 CO 0.24 0.17 1.17 -2.65 1.01 0.00 0.00 176.35 176.30 2pnl n PRO 609 N 3.48 0.25 -3.72 1.29 -0.01 -1.26 -0.13 135.00 134.90 2pnl n PRO 609 Ca -0.18 0.09 -0.37 0.00 -0.01 0.00 0.00 63.50 63.03 2pnl n PRO 609 Cb 0.53 -1.62 -0.12 0.00 -0.01 0.00 0.00 33.50 32.27 2pnl n PRO 609 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 175.50 174.32 2pnl s LEU 610 N 0.37 3.72 -0.18 2.45 2.96 0.95 -3.40 118.68 125.55 2pnl s LEU 610 Ca 0.91 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 2pnl s LEU 610 Cb -1.22 -1.95 -0.22 0.00 0.50 0.00 0.00 46.19 43.30 2pnl s LEU 610 CO 0.57 -0.10 0.14 1.17 -1.32 0.00 0.00 176.35 176.80 2pnl n LYS 611 N 4.94 0.69 -3.64 1.98 4.81 -0.22 -4.55 118.16 122.17 2pnl n LYS 611 Ca -0.15 0.28 -0.08 0.00 -0.87 0.00 0.00 58.31 57.49 2pnl n LYS 611 Cb 0.50 -1.65 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 2pnl n LYS 611 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2pnl s GLU 612 N -2.52 0.71 -0.43 1.64 2.12 -0.60 -4.98 118.70 114.65 2pnl s GLU 612 Ca -0.28 1.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.96 2pnl s GLU 612 Cb 0.08 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.69 2pnl s GLU 612 CO 0.68 -0.13 0.57 0.42 -0.54 0.00 0.00 175.26 176.26 2pnl s ILE 613 N 1.27 4.92 0.75 -3.70 1.09 -1.26 0.11 121.20 124.38 2pnl s ILE 613 Ca -0.07 -0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.34 2pnl s ILE 613 Cb -0.05 -4.14 0.05 0.00 -1.06 0.00 0.00 42.46 37.26 2pnl s ILE 613 CO -0.14 -0.52 1.12 -0.54 -0.10 0.00 0.00 174.94 174.75 2pnl s LYS 614 N 2.58 2.27 0.20 2.79 -0.14 0.16 -4.88 119.74 122.73 2pnl s LYS 614 Ca 0.19 1.35 0.19 0.00 -1.36 0.00 0.00 55.97 56.34 2pnl s LYS 614 Cb -0.15 -1.89 0.86 0.00 -1.68 0.00 0.00 37.83 34.98 2pnl s LYS 614 CO 0.17 -1.66 1.58 0.54 -0.76 0.00 0.00 175.35 175.22 2pnl n ARG 615 N -3.16 0.13 0.00 1.68 1.74 -1.26 -0.67 116.66 115.11 2pnl n ARG 615 Ca 0.10 0.46 0.13 0.00 -0.77 0.00 0.00 57.85 57.78 2pnl n ARG 615 Cb 0.52 -1.79 0.39 0.00 -1.02 0.00 0.00 32.46 30.56 2pnl n ARG 615 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2pnl n ASN 616 N -2.04 1.64 0.00 0.55 0.23 -1.26 -4.98 115.26 109.40 2pnl n ASN 616 Ca 0.01 -1.43 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 2pnl n ASN 616 Cb 0.14 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2pnl n ASN 616 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pnl n GLY 617 N 1.26 2.60 3.62 4.83 0.00 0.15 -4.91 105.19 112.75 2pnl n GLY 617 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2pnl n GLY 617 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pnl n ASN 618 N 0.00 1.45 -4.83 1.61 4.13 -1.26 -4.19 115.26 112.18 2pnl n ASN 618 Ca 0.00 1.04 -0.36 0.00 1.68 0.00 0.00 54.58 56.94 2pnl n ASN 618 Cb 0.00 -1.38 -0.07 0.00 -1.54 0.00 0.00 39.78 36.80 2pnl n ASN 618 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2pnl s ILE 619 N -1.26 5.41 -0.24 2.41 -4.36 -0.62 0.39 121.20 122.92 2pnl s ILE 619 Ca 0.63 0.18 -0.09 0.00 -0.26 0.00 0.00 60.65 61.10 2pnl s ILE 619 Cb -0.55 -3.38 -0.04 0.00 1.25 0.00 0.00 42.46 39.74 2pnl s ILE 619 CO 0.57 0.57 0.13 -0.69 0.24 0.00 0.00 174.94 175.75 2pnl s VAL 620 N -0.65 4.95 0.11 8.37 1.01 0.30 -0.41 120.40 134.09 2pnl s VAL 620 Ca 0.13 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2pnl s VAL 620 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2pnl s VAL 620 CO 0.02 0.34 -0.12 0.54 0.00 0.00 0.00 175.10 175.88 2pnl s VAL 621 N 1.29 1.12 0.27 2.92 0.11 -1.02 -1.06 120.40 124.03 2pnl s VAL 621 Ca 0.06 -1.68 -0.05 0.00 -2.93 0.00 0.00 61.98 57.39 2pnl s VAL 621 Cb -0.14 -1.44 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 2pnl s VAL 621 CO 0.05 -0.50 0.37 -1.83 -3.33 0.00 0.00 175.10 169.87 2pnl s GLU 622 N -2.74 1.60 -0.09 1.54 -1.05 -1.22 -0.13 118.70 116.61 2pnl s GLU 622 Ca 0.07 -1.59 -0.13 0.00 -0.15 0.00 0.00 54.97 53.17 2pnl s GLU 622 Cb -0.04 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 34.00 2pnl s GLU 622 CO 0.01 -0.63 0.32 0.15 0.95 0.00 0.00 175.26 176.06 2pnl s LYS 623 N -3.67 3.99 0.10 -4.83 1.02 -0.54 -4.42 119.74 111.37 2pnl s LYS 623 Ca 0.31 0.19 0.09 0.00 0.02 0.00 0.00 55.97 56.58 2pnl s LYS 623 Cb 0.02 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2pnl s LYS 623 CO 0.15 0.50 -0.23 0.96 -0.92 0.00 0.00 175.35 175.81 2pnl s ILE 624 N -0.37 1.87 -0.68 2.17 -4.36 -1.26 -0.66 121.20 117.91 2pnl s ILE 624 Ca 0.19 -1.54 -0.21 0.00 -0.26 0.00 0.00 60.65 58.84 2pnl s ILE 624 Cb -0.14 -1.67 0.09 0.00 1.25 0.00 0.00 42.46 41.99 2pnl s ILE 624 CO 0.08 0.04 0.90 0.12 0.24 0.00 0.00 174.94 176.32 2pnl s PHE 625 N -1.06 2.88 -0.19 1.37 5.36 -1.26 -4.60 117.98 120.48 2pnl s PHE 625 Ca 0.09 -0.86 -0.33 0.00 -0.96 0.00 0.00 56.93 54.87 2pnl s PHE 625 Cb -0.10 -4.19 0.14 0.00 -0.34 0.00 0.00 43.02 38.54 2pnl s PHE 625 CO 0.04 -1.49 1.19 0.00 -1.46 0.00 0.00 175.22 173.50 2pnl s ALA 626 N 3.29 -2.05 1.16 11.12 0.00 -1.26 -5.07 121.76 128.95 2pnl s ALA 626 Ca 0.20 1.62 -0.19 0.00 0.00 0.00 0.00 51.96 53.59 2pnl s ALA 626 Cb -0.17 -0.39 0.27 0.00 0.00 0.00 0.00 23.12 22.83 2pnl s ALA 626 CO 0.05 -0.51 1.15 0.20 0.00 0.00 0.00 175.76 176.66 2pnl s GLY 627 N -1.88 1.62 0.86 0.00 0.00 -1.26 -4.07 107.32 102.59 2pnl s GLY 627 Ca 0.08 -1.01 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 2pnl s GLY 627 CO -0.05 -0.14 1.15 -4.14 0.00 0.00 0.00 173.10 169.92 2pnl s PRO 628 N -5.51 1.59 0.88 2.90 0.02 -1.23 -4.74 135.00 128.90 2pnl s PRO 628 Ca 0.72 0.26 -0.12 0.00 0.02 0.00 0.00 61.00 61.87 2pnl s PRO 628 Cb -0.08 -1.89 0.12 0.00 0.02 0.00 0.00 34.50 32.66 2pnl s PRO 628 CO 0.55 -1.88 1.16 0.42 -0.33 0.00 0.00 177.00 176.92 2pnl s ILE 629 N -3.39 1.99 0.38 2.83 1.01 -0.86 -4.66 121.20 118.52 2pnl s ILE 629 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.28 2pnl s ILE 629 Cb -0.13 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2pnl s ILE 629 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2pnl n GLY 631 N -2.71 -2.42 0.05 6.18 0.00 -1.26 0.17 105.19 105.19 2pnl n GLY 631 Ca 0.08 -1.18 0.11 0.00 0.00 0.00 0.00 46.02 45.03 2pnl n GLY 631 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pnl n PRO 632 N -3.94 0.09 0.00 1.61 -0.04 -1.26 -4.41 135.00 127.05 2pnl n PRO 632 Ca -0.03 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.77 2pnl n PRO 632 Cb 0.55 -1.63 0.52 0.00 -0.04 0.00 0.00 33.50 32.90 2pnl n PRO 632 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2pnl n SER 633 N -1.79 0.77 -0.58 3.54 7.64 -1.26 -1.66 113.62 120.28 2pnl n SER 633 Ca 0.05 -0.80 0.10 0.00 1.01 0.00 0.00 58.87 59.22 2pnl n SER 633 Cb 0.28 0.02 0.33 0.00 -1.01 0.00 0.00 64.21 63.83 2pnl n SER 633 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pnl n ALA 634 N -0.73 2.50 -0.02 -0.43 0.00 -1.26 -1.72 120.51 118.86 2pnl n ALA 634 Ca 0.14 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 2pnl n ALA 634 Cb 0.31 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 2pnl n ALA 634 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2pnl h GLN 635 N 2.20 0.15 -0.37 0.00 4.20 -1.43 -2.01 115.11 117.85 2pnl h GLN 635 Ca 0.00 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.76 2pnl h GLN 635 Cb 0.49 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 2pnl h GLN 635 CO 0.00 0.25 -0.09 1.25 -0.67 0.00 0.00 178.83 179.57 2pnl h LEU 636 N 0.01 -0.35 -0.40 1.46 5.85 -1.34 -0.37 115.31 120.17 2pnl h LEU 636 Ca 0.03 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2pnl h LEU 636 Cb 0.16 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 2pnl h LEU 636 CO -0.00 -0.12 -0.20 1.23 -0.34 0.00 0.00 178.44 179.00 2pnl h GLY 637 N -0.00 0.08 0.94 3.75 0.00 -1.77 -1.52 103.07 104.55 2pnl h GLY 637 Ca 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 2pnl h GLY 637 CO -0.38 -0.20 -0.09 1.41 0.00 0.00 0.00 176.54 177.28 2pnl h LEU 638 N -0.13 -0.22 -0.01 3.11 -0.00 -0.79 -1.35 115.31 115.91 2pnl h LEU 638 Ca 0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2pnl h LEU 638 Cb 0.43 0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2pnl h LEU 638 CO -0.48 -0.10 -0.01 -1.28 -0.00 0.00 0.00 178.44 176.57 2pnl h SER 639 N -0.33 -0.03 -1.04 -0.43 0.87 -0.97 -1.92 113.55 109.72 2pnl h SER 639 Ca -0.03 0.00 0.28 0.00 -1.23 0.00 0.00 61.79 60.82 2pnl h SER 639 Cb 0.25 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.16 2pnl h SER 639 CO 0.04 -0.00 0.71 -0.07 -0.53 0.00 0.00 176.83 176.98 2pnl h LEU 640 N -0.00 0.23 -0.30 2.23 3.38 -1.13 -1.03 115.31 118.70 2pnl h LEU 640 Ca 0.00 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2pnl h LEU 640 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pnl h LEU 640 CO -0.01 0.05 -0.71 0.25 0.09 0.00 0.00 178.44 178.12 2pnl h LEU 641 N 0.21 0.77 0.00 1.67 5.85 -0.49 0.42 115.31 123.74 2pnl h LEU 641 Ca 0.54 -0.48 -0.29 0.00 0.84 0.00 0.00 57.88 58.49 2pnl h LEU 641 Cb 1.71 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 2pnl h LEU 641 CO -0.15 1.25 -1.92 1.33 -0.34 0.00 0.00 178.44 178.61 2pnl n VAL 642 N -3.92 1.38 -0.04 1.05 0.24 -0.87 -4.10 118.33 112.07 2pnl n VAL 642 Ca -0.06 -0.79 -0.18 0.00 -2.04 0.00 0.00 64.34 61.28 2pnl n VAL 642 Cb 0.70 -0.73 -0.14 0.00 -1.47 0.00 0.00 33.84 32.21 2pnl n VAL 642 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pnl n ASN 643 N -2.87 1.71 0.00 -1.34 5.03 -0.43 -4.54 115.26 112.82 2pnl n ASN 643 Ca -0.21 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.38 2pnl n ASN 643 Cb 1.03 -0.47 0.00 0.00 -1.02 0.00 0.00 39.78 39.32 2pnl n ASN 643 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2pnl n ASP 644 N -3.30 3.28 -4.84 6.41 8.00 -0.01 -5.03 116.55 121.06 2pnl n ASP 644 Ca -0.33 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.82 2pnl n ASP 644 Cb 1.04 0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 42.39 2pnl n ASP 644 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnl s ILE 645 N -1.67 4.78 -0.02 0.53 1.09 0.13 -4.96 121.20 121.08 2pnl s ILE 645 Ca 0.00 0.94 -0.00 0.00 -1.10 0.00 0.00 60.65 60.48 2pnl s ILE 645 Cb 0.00 -3.76 -0.01 0.00 -1.06 0.00 0.00 42.46 37.63 2pnl s ILE 645 CO 0.00 0.21 -0.02 -0.62 -0.10 0.00 0.00 174.94 174.41 2pnl n GLU 646 N 0.70 0.04 -3.68 2.79 -0.58 -1.26 -4.80 120.64 113.85 2pnl n GLU 646 Ca -0.04 0.01 -0.14 0.00 -0.42 0.00 0.00 57.16 56.57 2pnl n GLU 646 Cb 0.52 -0.78 -0.08 0.00 -0.57 0.00 0.00 31.44 30.52 2pnl n GLU 646 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pnl s ASP 647 N -4.70 -0.48 0.00 1.62 1.11 -1.26 -4.66 116.67 108.29 2pnl s ASP 647 Ca -0.02 0.79 0.00 0.00 0.18 0.00 0.00 52.55 53.50 2pnl s ASP 647 Cb 0.01 0.82 0.00 0.00 1.07 0.00 0.00 42.92 44.82 2pnl s ASP 647 CO 0.04 -0.30 0.00 0.61 1.18 0.00 0.00 175.17 176.70 2pnl n GLY 648 N 2.21 -1.05 3.00 0.21 0.00 0.46 -4.91 105.19 105.11 2pnl n GLY 648 Ca -0.16 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2pnl n GLY 648 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnl s VAL 649 N -1.19 1.64 -0.40 1.61 1.01 -1.26 -2.60 120.40 119.21 2pnl s VAL 649 Ca 0.00 -0.95 -0.39 0.00 0.00 0.00 0.00 61.98 60.64 2pnl s VAL 649 Cb 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 36.38 34.55 2pnl s VAL 649 CO 0.00 0.22 2.15 -2.65 0.00 0.00 0.00 175.10 174.82 2pnl n PRO 650 N 4.69 0.69 -2.06 2.72 -0.02 -1.26 -5.04 135.00 134.73 2pnl n PRO 650 Ca -0.15 0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.18 2pnl n PRO 650 Cb 0.47 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 2pnl n PRO 650 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pnl n ARG 651 N 7.79 2.03 -3.44 -0.52 5.12 -1.26 -4.76 116.66 121.62 2pnl n ARG 651 Ca 0.45 -2.59 -0.19 0.00 -1.93 0.00 0.00 57.85 53.59 2pnl n ARG 651 Cb 0.13 -3.55 -0.11 0.00 -1.16 0.00 0.00 32.46 27.76 2pnl n ARG 651 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2pnl s VAL 653 N 8.29 -0.34 -0.07 1.55 1.01 -0.45 -4.57 120.40 125.83 2pnl s VAL 653 Ca 0.63 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 2pnl s VAL 653 Cb 0.03 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2pnl s VAL 653 CO 0.11 -0.47 0.67 -0.36 0.00 0.00 0.00 175.10 175.05 2pnl s PHE 654 N 2.32 3.57 -0.00 5.22 0.08 -0.95 -0.91 117.98 127.31 2pnl s PHE 654 Ca 0.09 1.21 0.01 0.00 0.12 0.00 0.00 56.93 58.36 2pnl s PHE 654 Cb -0.14 -2.77 -0.00 0.00 -0.57 0.00 0.00 43.02 39.53 2pnl s PHE 654 CO -0.31 0.10 -0.04 -0.08 -0.10 0.00 0.00 175.22 174.80 2pnl s THR 655 N 0.75 0.35 0.00 0.64 -1.32 -0.61 -4.28 115.64 111.16 2pnl s THR 655 Ca 0.36 -0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 2pnl s THR 655 Cb -0.17 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 2pnl s THR 655 CO 0.17 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 2pnl n GLY 656 N 3.03 4.62 3.78 6.08 0.00 -0.70 -4.45 105.19 117.56 2pnl n GLY 656 Ca -0.13 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 2pnl n GLY 656 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pnl s GLU 657 N -4.32 3.64 -0.23 1.61 2.12 -1.21 -1.12 118.70 119.19 2pnl s GLU 657 Ca 0.00 1.53 -0.19 0.00 0.36 0.00 0.00 54.97 56.67 2pnl s GLU 657 Cb 0.00 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 32.23 2pnl s GLU 657 CO 0.00 -0.59 0.54 0.42 -0.54 0.00 0.00 175.26 175.09 2pnl s ILE 658 N -1.81 5.07 1.03 -3.70 1.01 -1.26 -0.76 121.20 120.78 2pnl s ILE 658 Ca 0.68 0.97 -0.12 0.00 0.00 0.00 0.00 60.65 62.18 2pnl s ILE 658 Cb -0.21 -3.86 0.21 0.00 0.01 0.00 0.00 42.46 38.60 2pnl s ILE 658 CO 0.25 0.11 1.07 0.00 0.00 0.00 0.00 174.94 176.38 2pnl s ALA 659 N 2.06 0.61 0.56 9.38 0.00 -0.62 -4.79 121.76 128.95 2pnl s ALA 659 Ca 0.24 -0.19 0.30 0.00 0.00 0.00 0.00 51.96 52.30 2pnl s ALA 659 Cb -0.16 -3.19 1.46 0.00 0.00 0.00 0.00 23.12 21.24 2pnl s ALA 659 CO 0.09 -3.08 1.90 0.22 0.00 0.00 0.00 175.76 174.88 2pnl h ASP 660 N -2.08 0.00 0.09 0.00 3.58 -1.98 0.25 116.42 116.28 2pnl h ASP 660 Ca -0.55 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.89 2pnl h ASP 660 Cb 1.32 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 2pnl h ASP 660 CO 0.54 0.00 -0.01 -2.24 -2.88 0.00 0.00 179.24 174.65 2pnl h ASP 661 N 0.00 0.00 -1.89 2.28 2.03 -1.95 -3.46 116.42 113.43 2pnl h ASP 661 Ca 0.33 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.33 2pnl h ASP 661 Cb 1.45 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.92 2pnl h ASP 661 CO -0.00 0.01 -0.37 1.21 -1.03 0.00 0.00 179.24 179.06 2pnl n GLU 662 N -3.27 -1.17 0.06 4.15 2.13 0.88 -4.90 120.64 118.52 2pnl n GLU 662 Ca -0.03 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2pnl n GLU 662 Cb 0.10 -5.08 0.00 0.00 0.27 0.00 0.00 31.44 26.73 2pnl n GLU 662 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2pnl n GLU 663 N -2.46 0.00 -1.62 5.31 1.02 -1.26 -4.77 120.64 116.85 2pnl n GLU 663 Ca -0.17 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.49 2pnl n GLU 663 Cb 0.61 -0.20 -0.04 0.00 -0.02 0.00 0.00 31.44 31.79 2pnl n GLU 663 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2pnl n THR 664 N -3.15 0.62 -3.10 2.62 -1.04 -1.26 -1.47 114.28 107.49 2pnl n THR 664 Ca 0.00 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 2pnl n THR 664 Cb 0.00 -1.13 -0.05 0.00 -1.82 0.00 0.00 70.33 67.32 2pnl n THR 664 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2pnl s ILE 665 N 0.13 5.03 0.28 12.58 1.09 -0.82 -1.59 121.20 137.90 2pnl s ILE 665 Ca 0.74 1.24 0.07 0.00 -1.10 0.00 0.00 60.65 61.60 2pnl s ILE 665 Cb -0.78 -3.96 -0.03 0.00 -1.06 0.00 0.00 42.46 36.62 2pnl s ILE 665 CO 0.48 0.15 0.31 0.27 -0.10 0.00 0.00 174.94 176.05 2pnl s ILE 666 N 1.63 4.36 0.70 2.92 -4.36 0.06 -4.95 121.20 121.56 2pnl s ILE 666 Ca 0.31 -1.22 -0.15 0.00 -0.26 0.00 0.00 60.65 59.33 2pnl s ILE 666 Cb -0.16 -3.46 0.02 0.00 1.25 0.00 0.00 42.46 40.11 2pnl s ILE 666 CO 0.12 -0.27 1.16 -2.16 0.24 0.00 0.00 174.94 174.03 2pnl s PRO 667 N -3.97 2.43 -0.06 0.37 0.04 -1.26 -3.28 135.00 129.26 2pnl s PRO 667 Ca 0.37 1.59 0.06 0.00 0.04 0.00 0.00 61.00 63.06 2pnl s PRO 667 Cb -0.08 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2pnl s PRO 667 CO 0.27 -1.58 -0.25 0.96 0.04 0.00 0.00 177.00 176.45 2pnl s ILE 668 N -2.15 2.09 0.40 0.56 -5.25 -1.26 -4.62 121.20 110.97 2pnl s ILE 668 Ca 0.71 -1.05 -0.17 0.00 -0.99 0.00 0.00 60.65 59.15 2pnl s ILE 668 Cb -0.25 -1.76 -0.09 0.00 2.95 0.00 0.00 42.46 43.31 2pnl s ILE 668 CO 0.43 0.57 0.87 0.00 -1.79 0.00 0.00 174.94 175.02 2pnl n GLY 670 N -0.75 -0.70 0.24 0.00 0.00 -1.26 -4.95 105.19 97.77 2pnl n GLY 670 Ca 0.05 0.34 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 2pnl n GLY 670 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pnl h VAL 671 N -0.54 1.27 -0.61 1.61 3.04 -1.96 -3.07 116.25 116.00 2pnl h VAL 671 Ca -0.35 -1.80 0.09 0.00 -1.01 0.00 0.00 66.70 63.63 2pnl h VAL 671 Cb 1.18 1.74 -0.07 0.00 -2.01 0.00 0.00 31.29 32.13 2pnl h VAL 671 CO 0.30 0.58 0.24 -2.24 -1.01 0.00 0.00 177.57 175.44 2pnl h ASP 672 N 0.63 0.26 0.00 3.17 -0.00 -1.93 -1.58 116.42 116.97 2pnl h ASP 672 Ca -0.01 0.07 0.02 0.00 -0.00 0.00 0.00 57.03 57.11 2pnl h ASP 672 Cb 1.23 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 40.58 2pnl h ASP 672 CO 0.13 0.16 -0.12 0.40 -0.00 0.00 0.00 179.24 179.81 2pnl h ILE 673 N 0.43 0.70 -0.77 4.15 1.08 -1.94 0.16 117.51 121.33 2pnl h ILE 673 Ca 0.30 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.86 2pnl h ILE 673 Cb 0.35 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 2pnl h ILE 673 CO -0.29 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 177.60 2pnl h ALA 674 N 0.76 1.08 -0.27 1.87 0.00 -1.38 -1.86 119.26 119.45 2pnl h ALA 674 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2pnl h ALA 674 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pnl h ALA 674 CO -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 179.25 179.15 2pnl h ALA 675 N 1.43 0.37 -0.30 0.00 0.00 -0.83 0.11 119.26 120.04 2pnl h ALA 675 Ca 0.37 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2pnl h ALA 675 Cb 0.32 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2pnl h ALA 675 CO -0.24 0.16 -0.28 0.82 0.00 0.00 0.00 179.25 179.71 2pnl h ILE 676 N 0.27 0.31 -0.73 0.00 2.04 -0.49 0.53 117.51 119.44 2pnl h ILE 676 Ca 0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.04 2pnl h ILE 676 Cb 0.50 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 2pnl h ILE 676 CO 0.02 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.51 2pnl h ALA 677 N 0.75 1.01 0.33 1.87 0.00 -1.14 0.12 119.26 122.21 2pnl h ALA 677 Ca 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2pnl h ALA 677 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2pnl h ALA 677 CO -0.45 -0.11 -0.16 0.00 0.00 0.00 0.00 179.25 178.53 2pnl h ALA 678 N 1.48 -0.45 -0.45 0.00 0.00 0.37 -3.21 119.26 116.99 2pnl h ALA 678 Ca 0.38 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2pnl h ALA 678 Cb 0.47 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2pnl h ALA 678 CO -0.32 -0.59 0.31 0.45 0.00 0.00 0.00 179.25 179.10 2pnl h HIS 679 N -0.78 0.33 0.00 0.00 3.86 0.21 -1.66 115.15 117.12 2pnl h HIS 679 Ca -0.05 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2pnl h HIS 679 Cb 0.51 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 2pnl h HIS 679 CO 0.02 0.18 -0.02 0.93 0.86 0.00 0.00 177.93 179.90 2pnl h GLU 680 N 0.33 0.00 -0.45 2.45 5.08 -0.77 0.19 114.58 121.42 2pnl h GLU 680 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2pnl h GLU 680 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2pnl h GLU 680 CO -0.05 0.02 0.00 1.04 -1.00 0.00 0.00 179.01 179.03 2pnl n GLN 681 N -3.61 2.59 -2.45 2.33 6.02 -0.90 -4.97 117.38 116.39 2pnl n GLN 681 Ca -0.03 -2.20 -0.05 0.00 -0.01 0.00 0.00 57.00 54.71 2pnl n GLN 681 Cb 0.11 -1.39 0.01 0.00 1.02 0.00 0.00 30.24 29.99 2pnl n GLN 681 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnl n GLY 682 N 1.01 0.40 3.24 1.08 0.00 0.66 -5.01 105.19 106.58 2pnl n GLY 682 Ca 0.16 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 2pnl n GLY 682 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnl s LEU 683 N -1.97 2.10 0.42 0.99 1.43 -0.67 -4.97 118.68 116.00 2pnl s LEU 683 Ca 0.07 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 2pnl s LEU 683 Cb -0.03 -1.06 -0.08 0.00 0.03 0.00 0.00 46.19 45.05 2pnl s LEU 683 CO 0.09 0.22 1.21 -2.16 0.23 0.00 0.00 176.35 175.94 2pnl s PRO 684 N -0.80 3.93 -0.21 1.29 0.04 -1.26 -3.06 135.00 134.93 2pnl s PRO 684 Ca 0.08 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 2pnl s PRO 684 Cb -0.09 -2.62 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 2pnl s PRO 684 CO 0.00 -0.45 0.64 -1.17 0.04 0.00 0.00 177.00 176.06 2pnl s LEU 685 N -2.64 4.13 -0.25 -3.56 2.96 -1.26 -1.34 118.68 116.71 2pnl s LEU 685 Ca 0.59 0.82 -0.05 0.00 -0.22 0.00 0.00 54.13 55.27 2pnl s LEU 685 Cb -0.32 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.47 2pnl s LEU 685 CO 0.40 -0.30 0.01 -0.63 -1.32 0.00 0.00 176.35 174.52 2pnl s ILE 686 N 2.04 3.60 0.00 6.68 -1.09 -0.09 -1.36 121.20 130.99 2pnl s ILE 686 Ca 0.28 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 2pnl s ILE 686 Cb -0.16 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 2pnl s ILE 686 CO 0.10 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 2pnl n GLY 687 N 4.81 1.49 2.25 6.18 0.00 -0.89 -1.57 105.19 117.47 2pnl n GLY 687 Ca -0.16 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 2pnl n GLY 687 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pnl n ASN 688 N -0.30 -0.05 -3.77 1.61 4.05 -1.25 -0.48 115.26 115.07 2pnl n ASN 688 Ca 0.00 -2.63 0.02 0.00 0.45 0.00 0.00 54.58 52.43 2pnl n ASN 688 Cb 0.00 -0.57 0.01 0.00 1.23 0.00 0.00 39.78 40.46 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnl n GLN 689 N 1.76 0.22 -0.80 1.20 10.64 -1.26 -4.84 117.38 124.29 2pnl n GLN 689 Ca 0.23 -0.82 -0.31 0.00 -1.83 0.00 0.00 57.00 54.27 2pnl n GLN 689 Cb 0.52 1.33 0.09 0.00 -0.86 0.00 0.00 30.24 31.32 2pnl n GLN 689 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2pnl n PRO 690 N -0.90 -0.86 -0.00 2.61 -0.02 -1.26 -3.64 135.00 130.93 2pnl n PRO 690 Ca 0.04 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 2pnl n PRO 690 Cb 0.57 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2pnl n PRO 690 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnl n GLY 691 N 2.81 1.44 3.73 -1.23 0.00 -1.26 -4.93 105.19 105.76 2pnl n GLY 691 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2pnl n GLY 691 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnl s VAL 692 N -1.96 5.27 0.61 1.61 0.11 -1.24 -4.89 120.40 119.90 2pnl s VAL 692 Ca 0.00 0.66 0.43 0.00 -2.93 0.00 0.00 61.98 60.15 2pnl s VAL 692 Cb 0.00 -3.68 0.44 0.00 -1.53 0.00 0.00 36.38 31.61 2pnl s VAL 692 CO 0.00 0.38 2.33 0.44 -3.33 0.00 0.00 175.10 174.92 2pnl h ASP 693 N 6.57 0.00 -2.27 3.54 3.32 -1.57 -3.42 116.42 122.59 2pnl h ASP 693 Ca -0.42 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.71 2pnl h ASP 693 Cb 1.17 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 2pnl h ASP 693 CO 0.75 0.00 0.07 -1.61 -1.72 0.00 0.00 179.24 176.72 2pnl s GLU 694 N -4.10 0.54 -0.67 3.56 2.02 -1.05 -4.93 118.70 114.08 2pnl s GLU 694 Ca -0.05 1.13 -0.15 0.00 0.02 0.00 0.00 54.97 55.92 2pnl s GLU 694 Cb 0.13 0.42 0.17 0.00 0.10 0.00 0.00 34.13 34.95 2pnl s GLU 694 CO 0.41 -0.15 0.62 -2.00 0.02 0.00 0.00 175.26 174.15 2pnl s GLU 695 N 2.14 3.25 -0.18 1.61 2.12 -1.25 -2.09 118.70 124.29 2pnl s GLU 695 Ca -0.07 -2.06 -0.07 0.00 0.36 0.00 0.00 54.97 53.13 2pnl s GLU 695 Cb -0.07 -4.34 -0.04 0.00 0.26 0.00 0.00 34.13 29.93 2pnl s GLU 695 CO -0.18 -1.31 0.06 0.14 -0.54 0.00 0.00 175.26 173.43 2pnl s VAL 696 N 0.94 4.79 -2.47 3.70 -7.23 0.37 -4.95 120.40 115.56 2pnl s VAL 696 Ca 0.10 -0.03 0.25 0.00 -1.81 0.00 0.00 61.98 60.48 2pnl s VAL 696 Cb -0.21 -3.15 0.21 0.00 0.56 0.00 0.00 36.38 33.79 2pnl s VAL 696 CO -0.02 0.47 1.35 -2.11 -0.31 0.00 0.00 175.10 174.47 2pnl n ARG 697 N 3.44 1.69 -3.88 4.82 0.00 -1.26 -3.78 116.66 117.68 2pnl n ARG 697 Ca -0.17 -1.29 -0.09 0.00 -0.00 0.00 0.00 57.85 56.30 2pnl n ARG 697 Cb 0.52 -1.47 -0.01 0.00 -0.00 0.00 0.00 32.46 31.50 2pnl n ARG 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2pnl s ASN 698 N -2.20 0.04 0.18 2.89 2.20 -1.26 -1.94 114.94 114.84 2pnl s ASN 698 Ca 0.27 -1.01 -0.13 0.00 -0.94 0.00 0.00 52.86 51.04 2pnl s ASN 698 Cb 0.20 0.76 0.12 0.00 -2.00 0.00 0.00 41.25 40.33 2pnl s ASN 698 CO 0.41 -1.48 1.79 0.71 -2.94 0.00 0.00 177.10 175.59 2pnl h THR 699 N 2.04 0.97 0.14 0.54 1.35 -1.56 -2.52 112.91 113.87 2pnl h THR 699 Ca -0.27 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 2pnl h THR 699 Cb 1.25 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2pnl h THR 699 CO 0.35 0.09 -0.06 0.28 -0.25 0.00 0.00 175.52 175.92 2pnl h SER 700 N 0.50 -0.15 -0.99 5.36 0.02 -1.95 0.87 113.55 117.20 2pnl h SER 700 Ca 0.21 -0.03 0.13 0.00 -0.84 0.00 0.00 61.79 61.26 2pnl h SER 700 Cb 0.11 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 62.60 2pnl h SER 700 CO -0.14 -0.07 0.63 -0.07 -1.14 0.00 0.00 176.83 176.03 2pnl h LEU 701 N -0.23 0.89 -0.36 5.07 3.38 -1.96 0.16 115.31 122.26 2pnl h LEU 701 Ca -0.02 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 2pnl h LEU 701 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2pnl h LEU 701 CO 0.03 0.46 -0.49 0.00 0.09 0.00 0.00 178.44 178.52 2pnl h ALA 702 N 1.56 0.54 0.00 1.53 0.00 -1.13 -2.19 119.26 119.56 2pnl h ALA 702 Ca 0.50 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2pnl h ALA 702 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2pnl h ALA 702 CO -0.27 0.68 -0.83 0.00 0.00 0.00 0.00 179.25 178.83 2pnl h ALA 703 N 0.76 0.55 -0.37 0.00 0.00 -0.30 -2.50 119.26 117.39 2pnl h ALA 703 Ca 0.03 -0.75 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 2pnl h ALA 703 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2pnl h ALA 703 CO 0.11 1.03 -0.24 1.25 0.00 0.00 0.00 179.25 181.41 2pnl h HIS 704 N 0.00 0.85 -0.29 0.00 6.17 -0.73 -3.24 115.15 117.91 2pnl h HIS 704 Ca -0.01 -0.20 -0.12 0.00 0.71 0.00 0.00 60.37 60.75 2pnl h HIS 704 Cb 1.54 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 31.26 2pnl h HIS 704 CO 0.00 0.91 -0.33 1.25 0.71 0.00 0.00 177.93 180.47 2pnl h LEU 705 N 0.65 0.66 -1.47 0.26 5.85 -1.06 -1.05 115.31 119.15 2pnl h LEU 705 Ca 0.09 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2pnl h LEU 705 Cb 0.75 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2pnl h LEU 705 CO 0.06 0.94 0.36 0.40 -0.34 0.00 0.00 178.44 179.86 2pnl h ILE 706 N 0.54 1.13 -0.10 4.05 2.04 -1.53 0.28 117.51 123.92 2pnl h ILE 706 Ca 0.06 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2pnl h ILE 706 Cb 0.83 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2pnl h ILE 706 CO 0.07 0.13 -0.01 -0.61 0.00 0.00 0.00 178.15 177.73 2pnl h GLN 707 N 0.73 0.18 0.00 2.37 5.75 -1.45 -3.29 115.11 119.39 2pnl h GLN 707 Ca 0.20 -0.06 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 2pnl h GLN 707 Cb -0.07 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2pnl h GLN 707 CO -0.05 0.46 -0.55 1.79 -2.65 0.00 0.00 178.83 177.83 2pnl h THR 708 N -0.12 0.98 0.00 2.39 1.35 -1.10 -3.47 112.91 112.94 2pnl h THR 708 Ca 0.03 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 2pnl h THR 708 Cb 0.38 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2pnl h THR 708 CO 0.01 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 2pnl n GLY 709 N 1.09 0.46 3.86 5.82 0.00 0.96 -4.83 105.19 112.54 2pnl n GLY 709 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2pnl n GLY 709 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pnl s THR 710 N 0.00 2.61 -0.35 2.61 2.01 -1.26 -4.96 115.64 116.30 2pnl s THR 710 Ca 0.00 -1.39 -0.19 0.00 0.31 0.00 0.00 61.69 60.42 2pnl s THR 710 Cb 0.00 -3.00 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 2pnl s THR 710 CO 0.00 0.00 0.56 -0.22 -0.69 0.00 0.00 174.62 174.27 2pnl s LEU 711 N -4.10 4.32 0.23 4.42 2.96 -1.26 -4.93 118.68 120.31 2pnl s LEU 711 Ca 0.47 0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 54.14 2pnl s LEU 711 Cb -0.02 -2.67 -0.16 0.00 0.50 0.00 0.00 46.19 43.84 2pnl s LEU 711 CO 0.27 -0.53 0.57 -2.65 -1.32 0.00 0.00 176.35 172.69 2pnl n PRO 712 N 5.87 0.22 -4.19 0.98 -0.02 -1.26 -4.98 135.00 131.63 2pnl n PRO 712 Ca -0.03 0.08 -0.34 0.00 -2.02 0.00 0.00 63.50 61.18 2pnl n PRO 712 Cb 0.49 -1.14 -0.10 0.00 -0.02 0.00 0.00 33.50 32.72 2pnl n PRO 712 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pnl s VAL 713 N -1.06 4.46 -0.58 -1.45 1.01 -1.26 -5.07 120.40 116.45 2pnl s VAL 713 Ca 0.63 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 2pnl s VAL 713 Cb -0.87 -2.97 0.14 0.00 0.00 0.00 0.00 36.38 32.69 2pnl s VAL 713 CO 0.57 0.50 0.53 -1.10 0.00 0.00 0.00 175.10 175.60 2pnl s GLN 714 N 0.07 3.04 -0.50 2.72 -0.21 -1.26 -5.05 119.66 118.47 2pnl s GLN 714 Ca 0.03 -1.83 -0.16 0.00 0.02 0.00 0.00 55.36 53.42 2pnl s GLN 714 Cb -0.13 -4.29 0.09 0.00 1.00 0.00 0.00 33.01 29.68 2pnl s GLN 714 CO 0.01 -1.31 0.46 -0.98 -2.12 0.00 0.00 175.29 171.36 2pnl s ARG 715 N 1.36 3.00 0.00 2.91 1.04 -1.26 -5.36 118.95 120.64 2pnl s ARG 715 Ca 0.06 -1.37 0.00 0.00 -1.04 0.00 0.00 55.73 53.37 2pnl s ARG 715 Cb -0.27 -4.17 0.00 0.00 -2.04 0.00 0.00 34.95 28.47 2pnl s ARG 715 CO 0.01 -1.15 0.47 0.00 -0.04 0.00 0.00 175.30 174.59