#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 2.54 0.12 1.61 1.02 0.63 -4.76 119.74 120.90 2pnl s LYS 515 Ca 0.00 -0.76 -0.35 0.00 0.02 0.00 0.00 55.97 54.87 2pnl s LYS 515 Cb 0.00 -2.51 -0.16 0.00 -0.52 0.00 0.00 37.83 34.64 2pnl s LYS 515 CO 0.00 0.58 1.32 0.34 -0.92 0.00 0.00 175.35 176.67 2pnl n PHE 516 N 1.23 1.55 -3.70 3.18 -0.00 -1.26 -1.21 117.46 117.25 2pnl n PHE 516 Ca -0.14 0.61 -0.28 0.00 -0.00 0.00 0.00 57.45 57.63 2pnl n PHE 516 Cb 0.52 -2.34 -0.16 0.00 -0.00 0.00 0.00 39.48 37.50 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 0.38 3.18 0.21 -2.13 0.15 0.68 -4.78 113.70 111.39 2pnl s SER 517 Ca 0.80 -1.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.34 2pnl s SER 517 Cb -0.89 -0.60 0.15 0.00 -1.71 0.00 0.00 66.02 62.98 2pnl s SER 517 CO 0.47 -0.35 1.77 -0.09 1.20 0.00 0.00 173.24 176.25 2pnl h ARG 518 N 8.24 1.18 -0.48 5.44 9.65 -1.94 -1.63 114.38 134.85 2pnl h ARG 518 Ca -0.16 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.46 2pnl h ARG 518 Cb 1.09 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.46 2pnl h ARG 518 CO 0.37 0.96 0.15 0.00 2.80 0.00 0.00 179.97 184.26 2pnl h ALA 519 N 1.16 0.63 -0.46 2.80 0.00 -1.97 -1.27 119.26 120.14 2pnl h ALA 519 Ca 0.26 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2pnl h ALA 519 Cb 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2pnl h ALA 519 CO -0.02 0.28 0.25 1.25 0.00 0.00 0.00 179.25 181.00 2pnl h LEU 520 N 0.64 0.38 0.05 0.00 6.46 -1.88 -2.21 115.31 118.75 2pnl h LEU 520 Ca 0.16 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2pnl h LEU 520 Cb 0.26 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 2pnl h LEU 520 CO -0.01 0.27 -0.32 0.50 -0.62 0.00 0.00 178.44 178.26 2pnl h LYS 521 N 0.49 -0.49 -0.55 1.25 3.64 -1.12 -1.65 116.57 118.16 2pnl h LYS 521 Ca 0.19 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2pnl h LYS 521 Cb 0.07 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2pnl h LYS 521 CO -0.12 -0.32 0.23 -0.91 -2.27 0.00 0.00 179.45 176.06 2pnl h ASN 522 N -0.50 0.71 0.15 4.20 2.35 -1.13 -1.23 115.58 120.12 2pnl h ASN 522 Ca 0.05 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2pnl h ASN 522 Cb 0.57 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2pnl h ASN 522 CO -0.24 0.63 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.01 2pnl h ARG 523 N 0.78 -0.19 -0.16 0.81 2.43 -1.12 -2.27 114.38 114.66 2pnl h ARG 523 Ca 0.19 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.17 2pnl h ARG 523 Cb 0.13 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2pnl h ARG 523 CO -0.02 0.13 -0.70 -0.07 -1.51 0.00 0.00 179.97 177.81 2pnl h LEU 524 N -0.53 0.77 -1.11 3.80 3.38 -1.27 -3.02 115.31 117.33 2pnl h LEU 524 Ca -0.02 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2pnl h LEU 524 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2pnl h LEU 524 CO 0.03 1.24 0.00 -0.33 0.09 0.00 0.00 178.44 179.48 2pnl h GLU 525 N 0.47 0.00 0.00 1.13 5.08 -1.31 -2.68 114.58 117.27 2pnl h GLU 525 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2pnl h GLU 525 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2pnl h GLU 525 CO 0.14 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.81 2pnl h SER 526 N 0.00 0.00 0.49 1.42 4.64 -1.26 -1.62 113.55 117.22 2pnl h SER 526 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnl h SER 526 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2pnl h SER 526 CO 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 176.83 175.24 2pnl n ALA 527 N -1.90 3.52 -1.64 5.18 0.00 -1.01 -4.95 120.51 119.71 2pnl n ALA 527 Ca 0.00 -0.37 -0.44 0.00 0.00 0.00 0.00 53.44 52.63 2pnl n ALA 527 Cb 0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.73 2.05 -3.59 0.00 5.03 -0.61 -4.72 115.26 111.69 2pnl n ASN 528 Ca 0.04 1.19 -0.12 0.00 0.87 0.00 0.00 54.58 56.56 2pnl n ASN 528 Cb 0.38 -1.38 -0.05 0.00 -1.02 0.00 0.00 39.78 37.71 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 -0.96 0.73 -1.21 3.10 -0.85 0.45 -4.97 117.35 113.64 2pnl s TYR 529 Ca 0.58 -1.05 -0.20 0.00 -0.52 0.00 0.00 57.07 55.89 2pnl s TYR 529 Cb -0.64 0.05 0.00 0.00 0.38 0.00 0.00 41.96 41.75 2pnl s TYR 529 CO 0.60 -1.07 0.69 0.39 -1.52 0.00 0.00 175.55 174.63 2pnl n GLU 530 N -0.47 -1.37 -2.13 -3.49 1.02 -1.26 -0.16 120.64 112.78 2pnl n GLU 530 Ca -0.01 0.35 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 2pnl n GLU 530 Cb 0.62 -3.83 -0.03 0.00 -0.02 0.00 0.00 31.44 28.18 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 -6.43 4.32 0.09 3.49 2.12 -1.26 -3.79 118.70 117.23 2pnl s GLU 531 Ca 0.39 2.13 0.04 0.00 0.36 0.00 0.00 54.97 57.89 2pnl s GLU 531 Cb -0.16 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 2pnl s GLU 531 CO 0.89 -0.40 -0.11 0.54 -0.54 0.00 0.00 175.26 175.64 2pnl s VAL 532 N 0.68 0.98 -0.19 3.70 0.11 0.14 -4.97 120.40 120.85 2pnl s VAL 532 Ca 0.62 -1.53 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 2pnl s VAL 532 Cb -0.38 -1.25 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 2pnl s VAL 532 CO 0.34 -0.46 -0.05 -0.70 -3.33 0.00 0.00 175.10 170.90 2pnl s GLU 533 N -2.46 3.48 0.17 1.54 2.12 -1.26 -0.93 118.70 121.35 2pnl s GLU 533 Ca 0.03 -0.60 0.06 0.00 0.36 0.00 0.00 54.97 54.82 2pnl s GLU 533 Cb -0.05 -2.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 2pnl s GLU 533 CO 0.01 -0.00 0.09 -0.51 -0.54 0.00 0.00 175.26 174.30 2pnl s LEU 534 N 0.98 3.61 1.03 2.70 1.43 0.33 -4.97 118.68 123.79 2pnl s LEU 534 Ca 0.00 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 2pnl s LEU 534 Cb -0.15 -2.23 0.11 0.00 0.03 0.00 0.00 46.19 43.95 2pnl s LEU 534 CO 0.01 0.07 0.48 -0.81 0.23 0.00 0.00 176.35 176.33 2pnl n PRO 535 N -0.31 -1.03 -1.86 1.29 -0.04 -1.26 -1.95 135.00 129.84 2pnl n PRO 535 Ca -0.09 -0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 62.69 2pnl n PRO 535 Cb 0.55 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 2pnl n PRO 535 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2pnl s PRO 536 N -3.84 4.18 0.57 0.54 0.02 -1.25 -4.26 135.00 130.96 2pnl s PRO 536 Ca 0.60 2.43 -0.20 0.00 0.02 0.00 0.00 61.00 63.85 2pnl s PRO 536 Cb -0.19 -3.39 -0.04 0.00 0.02 0.00 0.00 34.50 30.90 2pnl s PRO 536 CO 0.65 -0.72 1.24 -1.25 -0.33 0.00 0.00 177.00 176.60 2pnl s PRO 537 N 1.99 3.06 0.47 5.54 0.04 -1.26 -4.91 135.00 139.93 2pnl s PRO 537 Ca 0.74 1.93 0.15 0.00 0.04 0.00 0.00 61.00 63.86 2pnl s PRO 537 Cb -0.44 -2.05 1.12 0.00 0.04 0.00 0.00 34.50 33.17 2pnl s PRO 537 CO 0.33 -1.16 2.05 0.66 0.04 0.00 0.00 177.00 178.91 2pnl h SER 538 N 1.12 0.23 -5.16 6.66 4.64 -1.94 -3.40 113.55 115.70 2pnl h SER 538 Ca -0.50 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.94 2pnl h SER 538 Cb 1.30 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 2pnl h SER 538 CO 0.56 0.15 0.39 -1.59 -0.87 0.00 0.00 176.83 175.47 2pnl s LYS 539 N -5.26 1.38 0.00 4.77 -2.85 -1.26 -0.40 119.74 116.12 2pnl s LYS 539 Ca -0.07 -0.74 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 2pnl s LYS 539 Cb 0.18 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 2pnl s LYS 539 CO 0.72 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 175.95 2pnl n GLY 540 N -0.45 0.81 3.11 0.59 0.00 -1.05 -4.24 105.19 103.97 2pnl n GLY 540 Ca -0.06 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 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 0.15 -0.08 1.61 0.11 -0.83 -4.17 120.40 115.18 2pnl s VAL 541 Ca 0.00 -1.22 0.05 0.00 -2.93 0.00 0.00 61.98 57.88 2pnl s VAL 541 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2pnl s VAL 541 CO 0.00 -0.67 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.24 2pnl s ILE 542 N -2.87 1.96 0.10 7.04 1.01 -1.26 -0.81 121.20 126.36 2pnl s ILE 542 Ca -0.03 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.67 2pnl s ILE 542 Cb 0.00 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 2pnl s ILE 542 CO -0.06 0.54 -0.10 0.68 0.00 0.00 0.00 174.94 176.00 2pnl s VAL 543 N 0.14 0.96 0.21 2.92 -7.23 -0.46 -1.37 120.40 115.57 2pnl s VAL 543 Ca -0.12 -1.61 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 2pnl s VAL 543 Cb -0.16 -1.33 -0.06 0.00 0.56 0.00 0.00 36.38 35.39 2pnl s VAL 543 CO 0.06 -0.53 0.48 -2.16 -0.31 0.00 0.00 175.10 172.65 2pnl s PRO 544 N -2.69 3.70 -0.02 4.82 0.04 -1.26 -0.75 135.00 138.84 2pnl s PRO 544 Ca 0.05 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.21 2pnl s PRO 544 Cb -0.04 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 2pnl s PRO 544 CO 0.00 0.35 -0.15 0.08 0.04 0.00 0.00 177.00 177.33 2pnl s VAL 545 N -1.81 1.22 -0.16 -0.36 1.01 -0.06 -4.82 120.40 115.43 2pnl s VAL 545 Ca 0.44 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2pnl s VAL 545 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2pnl s VAL 545 CO 0.24 0.35 0.05 -0.69 0.00 0.00 0.00 175.10 175.06 2pnl s VAL 546 N -0.21 4.72 -0.16 2.92 1.01 -1.26 -0.46 120.40 126.96 2pnl s VAL 546 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 2pnl s VAL 546 Cb -0.08 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2pnl s VAL 546 CO 0.00 0.51 -0.02 -1.00 0.00 0.00 0.00 175.10 174.59 2pnl s HIS 547 N -0.01 3.07 0.09 5.22 3.76 0.77 -4.97 115.29 123.21 2pnl s HIS 547 Ca 0.06 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 2pnl s HIS 547 Cb -0.12 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 2pnl s HIS 547 CO 0.01 0.00 -0.07 0.95 -0.85 0.00 0.00 174.74 174.78 2pnl s THR 548 N 0.35 0.72 0.03 1.30 -4.23 -1.26 -2.92 115.64 109.63 2pnl s THR 548 Ca -0.03 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 2pnl s THR 548 Cb -0.14 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 2pnl s THR 548 CO 0.02 -0.74 -0.06 0.54 -0.54 0.00 0.00 174.62 173.85 2pnl s VAL 549 N -3.04 0.43 0.39 2.29 0.11 -1.26 -5.07 120.40 114.25 2pnl s VAL 549 Ca 0.07 -0.87 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 2pnl s VAL 549 Cb 0.01 -0.48 0.20 0.00 -1.53 0.00 0.00 36.38 34.57 2pnl s VAL 549 CO -0.03 -0.30 1.96 0.50 -3.33 0.00 0.00 175.10 173.90 2pnl h LYS 550 N 4.84 0.37 0.00 1.54 3.64 -2.02 -2.51 116.57 122.42 2pnl h LYS 550 Ca -0.33 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2pnl h LYS 550 Cb 1.20 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2pnl h LYS 550 CO 0.43 0.38 0.00 -1.13 -2.27 0.00 0.00 179.45 176.86 2pnl n SER 551 N -4.35 0.00 -3.26 4.20 3.41 -1.26 -3.84 113.62 108.52 2pnl n SER 551 Ca 0.01 -0.56 -0.25 0.00 -0.26 0.00 0.00 58.87 57.81 2pnl n SER 551 Cb 0.19 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.12 3.50 -1.66 7.33 0.00 -0.95 -5.12 120.51 122.49 2pnl n ALA 552 Ca 0.18 -4.24 -0.34 0.00 0.00 0.00 0.00 53.44 49.04 2pnl n ALA 552 Cb 0.15 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 18.77 2pnl n ALA 552 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pnl s PRO 553 N -2.26 3.12 0.00 0.00 0.04 -1.25 -2.88 135.00 131.77 2pnl s PRO 553 Ca 0.40 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2pnl s PRO 553 Cb 0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2pnl s PRO 553 CO -0.07 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2pnl n GLY 554 N -0.12 0.74 3.74 0.56 0.00 -1.26 -5.01 105.19 103.83 2pnl n GLY 554 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2pnl n GLY 554 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 555 N -0.38 2.97 0.18 1.61 2.02 -1.14 -0.27 118.70 123.70 2pnl s GLU 555 Ca 0.00 -0.51 -0.13 0.00 0.02 0.00 0.00 54.97 54.36 2pnl s GLU 555 Cb 0.00 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.44 2pnl s GLU 555 CO 0.00 0.65 0.40 0.00 0.02 0.00 0.00 175.26 176.33 2pnl s ALA 556 N -1.11 -0.43 0.05 5.21 0.00 -0.35 -4.69 121.76 120.45 2pnl s ALA 556 Ca 0.20 -0.59 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 2pnl s ALA 556 Cb -0.12 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.93 2pnl s ALA 556 CO 0.11 -0.73 0.56 -0.59 0.00 0.00 0.00 175.76 175.11 2pnl s PHE 557 N -3.93 -0.49 0.28 0.00 -0.12 -1.15 -0.23 117.98 112.35 2pnl s PHE 557 Ca 0.14 0.57 0.08 0.00 -0.05 0.00 0.00 56.93 57.66 2pnl s PHE 557 Cb 0.01 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 2pnl s PHE 557 CO -0.01 -0.67 0.15 0.20 -0.05 0.00 0.00 175.22 174.84 2pnl s GLY 558 N -1.96 1.60 0.33 1.99 0.00 -1.26 -0.16 107.32 107.85 2pnl s GLY 558 Ca -0.05 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.13 2pnl s GLY 558 CO -0.02 -1.58 0.37 -1.14 0.00 0.00 0.00 173.10 170.73 2pnl n SER 559 N -1.13 -1.00 -4.57 1.64 3.41 0.39 -4.71 113.62 107.63 2pnl n SER 559 Ca -0.06 -2.95 -0.32 0.00 -0.26 0.00 0.00 58.87 55.28 2pnl n SER 559 Cb 0.59 2.03 -0.11 0.00 -0.26 0.00 0.00 64.21 66.47 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 3.08 -0.02 1.04 1.43 -1.26 -0.88 118.68 122.07 2pnl s LEU 560 Ca 0.33 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 2pnl s LEU 560 Cb 0.00 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2pnl s LEU 560 CO 0.23 0.27 -0.23 0.00 0.23 0.00 0.00 176.35 176.86 2pnl s ALA 561 N -1.00 1.88 -0.16 4.21 0.00 0.07 -0.70 121.76 126.06 2pnl s ALA 561 Ca 0.17 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2pnl s ALA 561 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2pnl s ALA 561 CO 0.08 0.45 0.06 -1.50 0.00 0.00 0.00 175.76 174.85 2pnl s ILE 562 N -0.50 4.83 -0.25 0.00 2.07 0.55 -1.36 121.20 126.54 2pnl s ILE 562 Ca 0.08 -0.03 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 2pnl s ILE 562 Cb -0.09 -3.15 -0.03 0.00 0.13 0.00 0.00 42.46 39.32 2pnl s ILE 562 CO -0.01 0.50 0.09 -0.63 -1.91 0.00 0.00 174.94 172.99 2pnl s ILE 563 N 0.00 4.47 0.10 2.00 1.01 0.01 0.35 121.20 129.13 2pnl s ILE 563 Ca 0.06 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.65 2pnl s ILE 563 Cb -0.12 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2pnl s ILE 563 CO 0.01 0.32 -0.16 0.27 0.00 0.00 0.00 174.94 175.39 2pnl s ILE 564 N 1.64 1.34 0.50 2.92 -4.36 0.18 -1.97 121.20 121.44 2pnl s ILE 564 Ca 0.06 -1.53 -0.22 0.00 -0.26 0.00 0.00 60.65 58.71 2pnl s ILE 564 Cb -0.15 -1.37 -0.06 0.00 1.25 0.00 0.00 42.46 42.13 2pnl s ILE 564 CO 0.05 -0.27 1.18 -2.84 0.24 0.00 0.00 174.94 173.30 2pnl s PRO 565 N -2.16 3.51 0.00 0.37 0.02 -1.26 -0.31 135.00 135.18 2pnl s PRO 565 Ca 0.04 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.86 2pnl s PRO 565 Cb -0.08 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.19 2pnl s PRO 565 CO 0.03 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2pnl n GLY 566 N 0.42 1.48 3.16 0.52 0.00 0.55 -4.74 105.19 106.59 2pnl n GLY 566 Ca 0.09 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.71 2.27 -0.39 1.61 2.02 -1.26 -2.36 118.70 118.89 2pnl s GLU 567 Ca 0.00 -1.48 0.07 0.00 0.02 0.00 0.00 54.97 53.58 2pnl s GLU 567 Cb 0.00 -3.39 0.44 0.00 0.10 0.00 0.00 34.13 31.28 2pnl s GLU 567 CO 0.00 -0.81 1.11 0.66 0.02 0.00 0.00 175.26 176.24 2pnl n TYR 568 N 4.63 2.99 -0.34 1.61 4.01 -1.26 -4.88 117.16 123.93 2pnl n TYR 568 Ca -0.08 -2.86 0.26 0.00 -0.16 0.00 0.00 57.90 55.05 2pnl n TYR 568 Cb 0.43 -0.17 0.55 0.00 -0.31 0.00 0.00 39.34 39.84 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 2.54 0.30 -0.33 -0.72 0.13 -1.96 0.78 132.00 132.74 2pnl h PRO 569 Ca 0.26 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.46 2pnl h PRO 569 Cb 1.09 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2pnl h PRO 569 CO 0.78 0.20 0.24 1.05 -0.23 0.00 0.00 178.00 180.03 2pnl h GLU 570 N 0.31 0.04 -0.01 0.86 4.11 -1.98 -1.15 114.58 116.76 2pnl h GLU 570 Ca 0.62 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 2pnl h GLU 570 Cb 1.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.96 2pnl h GLU 570 CO -0.29 0.03 -0.07 1.28 0.07 0.00 0.00 179.01 180.03 2pnl n LEU 571 N -4.45 0.61 -4.84 3.06 4.77 0.27 -4.85 117.00 111.57 2pnl n LEU 571 Ca 0.05 -0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.56 2pnl n LEU 571 Cb 0.38 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2pnl n LEU 571 CO 0.36 0.11 -0.20 -0.76 -1.33 0.00 0.00 177.39 175.56 2pnl s LEU 572 N -2.29 4.19 0.28 2.23 1.43 -0.44 -4.61 118.68 119.46 2pnl s LEU 572 Ca 0.34 0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 53.54 2pnl s LEU 572 Cb 0.21 -2.10 -0.15 0.00 0.03 0.00 0.00 46.19 44.18 2pnl s LEU 572 CO 0.43 0.38 0.69 -0.67 0.23 0.00 0.00 176.35 177.40 2pnl n ASP 573 N 1.83 -0.32 0.28 2.29 2.03 -1.26 -4.84 116.55 116.55 2pnl n ASP 573 Ca -0.18 1.10 0.12 0.00 0.52 0.00 0.00 54.79 56.35 2pnl n ASP 573 Cb 0.54 -1.10 0.78 0.00 -0.72 0.00 0.00 41.12 40.63 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 1.30 1.53 0.00 -1.67 0.00 -1.92 -1.53 119.26 116.98 2pnl h ALA 574 Ca -0.35 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2pnl h ALA 574 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2pnl h ALA 574 CO 0.57 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.98 2pnl n ASN 575 N -3.92 0.71 -0.84 0.00 4.13 -1.26 -1.67 115.26 112.41 2pnl n ASN 575 Ca -0.03 0.68 0.12 0.00 1.68 0.00 0.00 54.58 57.03 2pnl n ASN 575 Cb 0.15 -0.83 0.20 0.00 -1.54 0.00 0.00 39.78 37.76 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 -2.28 2.15 -1.60 3.52 6.02 -0.58 -3.50 117.38 121.12 2pnl n GLN 576 Ca 0.02 -1.68 -0.41 0.00 -0.01 0.00 0.00 57.00 54.91 2pnl n GLN 576 Cb 0.23 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 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 1.05 2.91 -4.52 -1.09 6.02 -0.67 -3.12 117.38 117.95 2pnl n GLN 577 Ca 0.15 -2.46 -0.24 0.00 -0.01 0.00 0.00 57.00 54.45 2pnl n GLN 577 Cb 0.54 -3.16 -0.14 0.00 1.02 0.00 0.00 30.24 28.50 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 3.13 1.49 -0.23 5.09 1.01 -1.26 -4.98 120.40 124.66 2pnl s VAL 578 Ca 0.52 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2pnl s VAL 578 Cb 0.15 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.24 2pnl s VAL 578 CO -0.07 0.12 -0.13 -0.22 0.00 0.00 0.00 175.10 174.80 2pnl s LEU 579 N -1.22 2.87 0.26 3.92 2.96 -1.26 -0.98 118.68 125.23 2pnl s LEU 579 Ca 0.05 -0.97 0.08 0.00 -0.22 0.00 0.00 54.13 53.08 2pnl s LEU 579 Cb -0.09 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2pnl s LEU 579 CO 0.02 -0.10 0.09 -0.44 -1.32 0.00 0.00 176.35 174.60 2pnl s SER 580 N 1.23 5.03 0.03 3.68 0.01 -0.82 -4.92 113.70 117.95 2pnl s SER 580 Ca -0.01 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.87 2pnl s SER 580 Cb -0.16 -1.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.92 2pnl s SER 580 CO -0.08 -0.01 -0.20 -1.00 0.41 0.00 0.00 173.24 172.36 2pnl s HIS 581 N -2.21 1.73 1.05 2.43 0.09 -1.26 0.24 115.29 117.36 2pnl s HIS 581 Ca 0.32 -0.36 -0.15 0.00 -0.00 0.00 0.00 55.06 54.87 2pnl s HIS 581 Cb -0.07 -1.04 0.21 0.00 -0.00 0.00 0.00 32.58 31.68 2pnl s HIS 581 CO 0.22 0.07 1.12 -0.06 -0.00 0.00 0.00 174.74 176.09 2pnl s PHE 582 N -0.75 1.64 0.64 1.40 0.40 -0.66 -0.85 117.98 119.80 2pnl s PHE 582 Ca 0.07 0.77 -0.17 0.00 -0.60 0.00 0.00 56.93 56.99 2pnl s PHE 582 Cb -0.08 -3.39 -0.01 0.00 0.51 0.00 0.00 43.02 40.04 2pnl s PHE 582 CO 0.01 -3.12 1.20 0.00 0.70 0.00 0.00 175.22 174.01 2pnl s ALA 583 N -3.08 2.42 0.00 5.36 0.00 -0.52 -4.54 121.76 121.41 2pnl s ALA 583 Ca 0.67 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2pnl s ALA 583 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2pnl s ALA 583 CO 0.56 -1.37 0.00 0.09 0.00 0.00 0.00 175.76 175.04 2pnl n ASN 584 N -1.97 0.00 -3.93 0.00 3.02 -1.26 -3.34 115.26 107.79 2pnl n ASN 584 Ca 0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.39 2pnl n ASN 584 Cb 0.50 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.56 2pnl n ASN 584 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pnl s ASP 585 N -4.00 4.98 -0.19 6.41 3.68 -1.26 -4.85 116.67 121.44 2pnl s ASP 585 Ca 0.00 -3.84 0.20 0.00 2.13 0.00 0.00 52.55 51.04 2pnl s ASP 585 Cb 0.00 -1.67 0.47 0.00 -1.45 0.00 0.00 42.92 40.27 2pnl s ASP 585 CO 0.00 -0.10 1.15 0.35 0.13 0.00 0.00 175.17 176.70 2pnl n THR 586 N 2.01 1.24 0.00 1.71 -2.24 -1.21 -4.92 114.28 110.88 2pnl n THR 586 Ca 0.20 -2.67 0.00 0.00 -2.27 0.00 0.00 64.05 59.31 2pnl n THR 586 Cb 0.35 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.38 1.73 3.38 3.38 0.00 -1.26 -1.95 105.19 110.08 2pnl n GLY 587 Ca 0.14 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.08 -0.04 1.61 0.01 -1.26 -1.66 113.70 112.28 2pnl s SER 588 Ca 0.00 -0.64 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 2pnl s SER 588 Cb 0.00 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.73 2pnl s SER 588 CO 0.00 -0.92 0.00 -0.69 0.41 0.00 0.00 173.24 172.05 2pnl s VAL 589 N -3.90 0.21 0.32 3.43 1.01 0.14 -0.69 120.40 120.91 2pnl s VAL 589 Ca 0.11 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.94 2pnl s VAL 589 Cb 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.98 2pnl s VAL 589 CO -0.04 0.18 1.03 0.26 0.00 0.00 0.00 175.10 176.53 2pnl s TRP 590 N 1.34 3.56 0.00 5.22 0.52 0.43 -1.94 118.94 128.07 2pnl s TRP 590 Ca -0.05 1.73 0.00 0.00 0.02 0.00 0.00 56.10 57.80 2pnl s TRP 590 Cb -0.13 -3.12 0.00 0.00 -1.15 0.00 0.00 33.47 29.07 2pnl s TRP 590 CO -0.02 -0.27 0.00 0.41 0.02 0.00 0.00 176.95 177.08 2pnl n GLY 591 N 0.84 0.74 3.31 0.98 0.00 -0.15 -0.38 105.19 110.53 2pnl n GLY 591 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.45 2.66 -1.23 -0.61 1.01 -1.25 -1.46 121.20 117.87 2pnl s ILE 592 Ca 0.00 -0.80 0.26 0.00 0.00 0.00 0.00 60.65 60.11 2pnl s ILE 592 Cb 0.00 -2.09 0.12 0.00 0.01 0.00 0.00 42.46 40.50 2pnl s ILE 592 CO 0.00 0.54 1.52 0.61 0.00 0.00 0.00 174.94 177.61 2pnl n GLY 593 N 3.54 -1.09 3.08 6.18 0.00 -0.03 -3.52 105.19 113.35 2pnl n GLY 593 Ca -0.18 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 2pnl n GLY 593 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnl s GLU 594 N -2.84 0.95 0.82 1.61 2.02 -1.26 -4.97 118.70 115.03 2pnl s GLU 594 Ca 0.16 -0.46 -0.12 0.00 0.02 0.00 0.00 54.97 54.56 2pnl s GLU 594 Cb 0.18 -0.92 0.09 0.00 0.10 0.00 0.00 34.13 33.58 2pnl s GLU 594 CO 0.63 0.25 1.17 -0.51 0.02 0.00 0.00 175.26 176.82 2pnl s ASP 595 N -0.38 3.64 -0.21 -0.19 1.01 -1.26 -4.68 116.67 114.59 2pnl s ASP 595 Ca 0.04 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.46 2pnl s ASP 595 Cb -0.05 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 2pnl s ASP 595 CO -0.00 -2.63 0.05 -0.63 0.21 0.00 0.00 175.17 172.17 2pnl s ILE 596 N -2.38 4.46 -1.71 0.77 1.01 -0.03 -4.92 121.20 118.39 2pnl s ILE 596 Ca 0.69 -0.14 0.18 0.00 0.00 0.00 0.00 60.65 61.38 2pnl s ILE 596 Cb -0.25 -3.04 0.41 0.00 0.01 0.00 0.00 42.46 39.59 2pnl s ILE 596 CO 0.52 0.41 1.50 -0.81 0.00 0.00 0.00 174.94 176.56 2pnl n PRO 597 N 4.18 0.40 -4.56 2.79 -0.04 -1.26 -2.21 135.00 134.30 2pnl n PRO 597 Ca -0.16 0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 63.10 2pnl n PRO 597 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 2pnl n PRO 597 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2pnl s PHE 598 N -2.29 1.93 0.43 0.54 -0.12 -1.26 -4.71 117.98 112.51 2pnl s PHE 598 Ca 0.22 -1.05 -0.15 0.00 -0.05 0.00 0.00 56.93 55.89 2pnl s PHE 598 Cb 0.12 -1.36 -0.08 0.00 -0.63 0.00 0.00 43.02 41.07 2pnl s PHE 598 CO 0.24 -0.02 0.87 -1.21 -0.05 0.00 0.00 175.22 175.05 2pnl s GLU 599 N -3.80 3.95 0.00 1.99 2.02 -1.26 -1.43 118.70 120.17 2pnl s GLU 599 Ca 0.25 0.78 0.00 0.00 0.02 0.00 0.00 54.97 56.02 2pnl s GLU 599 Cb 0.05 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 32.00 2pnl s GLU 599 CO 0.13 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.74 2pnl n GLY 600 N -1.11 3.81 0.84 -1.39 0.00 -1.23 -4.90 105.19 101.21 2pnl n GLY 600 Ca 0.05 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 44.08 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 2.21 -1.22 1.61 5.75 -1.22 -4.93 116.55 118.75 2pnl n ASP 601 Ca 0.00 -3.75 -0.03 0.00 -0.01 0.00 0.00 54.79 51.00 2pnl n ASP 601 Cb 0.00 -0.57 0.01 0.00 -1.03 0.00 0.00 41.12 39.53 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 -1.12 -2.34 -3.96 -1.12 5.03 -0.82 -5.00 115.26 105.93 2pnl n ASN 602 Ca 0.26 -0.10 -0.16 0.00 0.87 0.00 0.00 54.58 55.45 2pnl n ASN 602 Cb 0.86 -1.26 -0.14 0.00 -1.02 0.00 0.00 39.78 38.21 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 -0.14 1.89 -0.06 0.00 2.02 0.13 -0.33 117.35 120.87 2pnl s TYR 605 Ca 0.02 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 55.92 2pnl s TYR 605 Cb -0.02 -1.15 0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2pnl s TYR 605 CO -0.00 0.13 -0.13 0.99 -1.57 0.00 0.00 175.55 174.97 2pnl s THR 606 N -3.18 1.18 -0.37 -0.71 2.01 0.58 -0.43 115.64 114.72 2pnl s THR 606 Ca 0.32 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 2pnl s THR 606 Cb 0.06 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2pnl s THR 606 CO 0.13 0.36 0.50 0.00 -0.69 0.00 0.00 174.62 174.92 2pnl s ALA 607 N 0.49 3.45 -0.03 7.40 0.00 0.49 -0.65 121.76 132.92 2pnl s ALA 607 Ca -0.12 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.78 2pnl s ALA 607 Cb -0.14 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 2pnl s ALA 607 CO 0.03 -1.34 -0.25 -0.51 0.00 0.00 0.00 175.76 173.70 2pnl s LEU 608 N 2.37 2.11 0.06 0.00 1.43 0.15 -4.62 118.68 120.20 2pnl s LEU 608 Ca 0.17 -0.45 -0.33 0.00 -1.03 0.00 0.00 54.13 52.49 2pnl s LEU 608 Cb -0.16 -1.36 -0.12 0.00 0.03 0.00 0.00 46.19 44.57 2pnl s LEU 608 CO 0.14 0.31 1.74 -2.65 0.23 0.00 0.00 176.35 176.12 2pnl n PRO 609 N 2.53 2.29 -3.58 1.29 -0.02 -1.26 -0.33 135.00 135.92 2pnl n PRO 609 Ca -0.16 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.75 2pnl n PRO 609 Cb 0.51 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 2pnl n PRO 609 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2pnl s LEU 610 N 2.42 4.49 -0.09 2.45 2.96 0.12 -3.44 118.68 127.58 2pnl s LEU 610 Ca 0.84 -0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 54.01 2pnl s LEU 610 Cb -0.64 -2.07 -0.28 0.00 0.50 0.00 0.00 46.19 43.70 2pnl s LEU 610 CO 0.43 -0.28 0.53 0.50 -1.32 0.00 0.00 176.35 176.21 2pnl h LYS 611 N 8.45 0.30 -2.02 1.98 3.64 -1.02 -3.40 116.57 124.50 2pnl h LYS 611 Ca -0.30 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 58.54 2pnl h LYS 611 Cb 1.14 0.19 -0.21 0.00 -0.41 0.00 0.00 32.23 32.94 2pnl h LYS 611 CO 0.65 1.24 0.09 -2.00 -2.27 0.00 0.00 179.45 177.16 2pnl s GLU 612 N -2.53 0.80 -0.26 1.90 2.12 -1.08 -4.98 118.70 114.66 2pnl s GLU 612 Ca -0.20 1.04 -0.08 0.00 0.36 0.00 0.00 54.97 56.10 2pnl s GLU 612 Cb 0.05 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.75 2pnl s GLU 612 CO 0.79 -0.11 0.10 0.42 -0.54 0.00 0.00 175.26 175.92 2pnl s ILE 613 N 0.68 4.54 0.86 -3.70 1.01 -1.26 0.08 121.20 123.40 2pnl s ILE 613 Ca -0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 2pnl s ILE 613 Cb -0.05 -3.15 0.11 0.00 0.01 0.00 0.00 42.46 39.38 2pnl s ILE 613 CO -0.04 0.30 1.19 -0.54 0.00 0.00 0.00 174.94 175.85 2pnl s LYS 614 N 1.64 1.57 0.15 2.79 1.02 -0.44 -4.99 119.74 121.48 2pnl s LYS 614 Ca 0.06 0.07 -0.04 0.00 0.02 0.00 0.00 55.97 56.09 2pnl s LYS 614 Cb -0.15 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.23 2pnl s LYS 614 CO 0.05 -1.86 1.38 0.00 -0.92 0.00 0.00 175.35 174.00 2pnl h ARG 615 N -1.25 0.46 0.00 1.68 3.08 -2.00 -2.59 114.38 113.76 2pnl h ARG 615 Ca -0.47 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.18 2pnl h ARG 615 Cb 1.32 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.46 2pnl h ARG 615 CO 0.61 1.05 0.00 0.27 -1.07 0.00 0.00 179.97 180.83 2pnl n ASN 616 N -3.83 0.00 0.00 7.04 0.23 -1.26 -4.86 115.26 112.58 2pnl n ASN 616 Ca -0.05 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2pnl n ASN 616 Cb 0.75 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 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 -0.99 2.60 3.75 4.83 0.00 -0.98 -4.82 105.19 109.58 2pnl n GLY 617 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2pnl n GLY 617 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pnl s ASN 618 N -1.51 5.37 -0.08 1.61 -0.87 -1.26 -3.97 114.94 114.23 2pnl s ASN 618 Ca 0.00 2.61 0.04 0.00 -1.57 0.00 0.00 52.86 53.94 2pnl s ASN 618 Cb 0.00 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.60 2pnl s ASN 618 CO 0.00 -1.49 -0.23 0.27 -2.57 0.00 0.00 177.10 173.08 2pnl s ILE 619 N -1.40 2.18 -0.13 0.60 -4.36 -0.82 -1.33 121.20 115.93 2pnl s ILE 619 Ca 0.72 -1.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.01 2pnl s ILE 619 Cb -0.36 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2pnl s ILE 619 CO 0.42 0.56 0.21 -0.69 0.24 0.00 0.00 174.94 175.69 2pnl s VAL 620 N 0.11 5.37 0.02 8.37 1.01 0.11 -0.52 120.40 134.88 2pnl s VAL 620 Ca -0.11 0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2pnl s VAL 620 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2pnl s VAL 620 CO 0.06 0.51 0.03 -0.69 0.00 0.00 0.00 175.10 175.01 2pnl s VAL 621 N -0.32 0.11 0.34 2.92 1.01 -0.11 -0.39 120.40 123.96 2pnl s VAL 621 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2pnl s VAL 621 Cb -0.13 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2pnl s VAL 621 CO 0.04 -0.52 0.43 -1.84 0.00 0.00 0.00 175.10 173.21 2pnl n GLU 622 N 1.34 0.62 -3.77 2.72 0.28 -1.22 0.23 120.64 120.85 2pnl n GLU 622 Ca -0.22 -2.87 -0.37 0.00 -0.16 0.00 0.00 57.16 53.53 2pnl n GLU 622 Cb 0.56 2.66 -0.06 0.00 1.43 0.00 0.00 31.44 36.03 2pnl n GLU 622 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2pnl s LYS 623 N -2.91 3.63 0.04 3.44 1.02 0.77 -4.44 119.74 121.28 2pnl s LYS 623 Ca 0.31 0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.39 2pnl s LYS 623 Cb -0.00 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 2pnl s LYS 623 CO 0.22 0.71 -0.24 0.96 -0.92 0.00 0.00 175.35 176.08 2pnl s ILE 624 N -0.91 1.94 -0.86 2.17 -4.36 -1.26 -0.41 121.20 117.51 2pnl s ILE 624 Ca 0.17 -1.28 -0.21 0.00 -0.26 0.00 0.00 60.65 59.07 2pnl s ILE 624 Cb -0.13 -1.66 0.09 0.00 1.25 0.00 0.00 42.46 42.01 2pnl s ILE 624 CO 0.06 0.33 1.15 0.12 0.24 0.00 0.00 174.94 176.84 2pnl s PHE 625 N -0.77 2.82 0.20 1.37 5.36 -1.26 -4.53 117.98 121.16 2pnl s PHE 625 Ca 0.10 -0.95 -0.24 0.00 -0.96 0.00 0.00 56.93 54.88 2pnl s PHE 625 Cb -0.09 -4.39 0.05 0.00 -0.34 0.00 0.00 43.02 38.24 2pnl s PHE 625 CO 0.02 -1.66 0.86 0.00 -1.46 0.00 0.00 175.22 172.97 2pnl s ALA 626 N 3.74 -1.50 0.93 11.12 0.00 -1.26 -5.08 121.76 129.71 2pnl s ALA 626 Ca 0.32 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 2pnl s ALA 626 Cb -0.08 0.72 0.18 0.00 0.00 0.00 0.00 23.12 23.94 2pnl s ALA 626 CO -0.02 -1.02 1.08 0.41 0.00 0.00 0.00 175.76 176.21 2pnl n GLY 627 N -0.46 -1.01 3.69 0.00 0.00 -1.26 -3.95 105.19 102.20 2pnl n GLY 627 Ca -0.06 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2pnl n GLY 627 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pnl s PRO 628 N -5.34 0.94 0.73 1.61 0.04 -1.23 -4.73 135.00 127.02 2pnl s PRO 628 Ca 0.63 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 2pnl s PRO 628 Cb -0.02 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2pnl s PRO 628 CO 0.44 -2.46 1.07 0.42 0.04 0.00 0.00 177.00 176.51 2pnl s ILE 629 N -2.88 3.74 0.37 0.56 1.01 -0.54 -4.56 121.20 118.90 2pnl s ILE 629 Ca 0.64 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.86 2pnl s ILE 629 Cb -0.19 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2pnl s ILE 629 CO 0.58 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 175.39 2pnl n GLY 631 N -1.66 -2.74 0.76 6.18 0.00 -1.26 -0.85 105.19 105.63 2pnl n GLY 631 Ca 0.08 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.68 2.03 0.18 1.61 -0.04 -1.26 -4.53 135.00 129.31 2pnl n PRO 632 Ca -0.04 -1.52 0.12 0.00 -0.04 0.00 0.00 63.50 62.02 2pnl n PRO 632 Cb 0.46 -1.46 0.17 0.00 -0.04 0.00 0.00 33.50 32.64 2pnl n PRO 632 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pnl h SER 633 N 3.40 0.00 0.31 3.54 4.64 -1.97 -2.86 113.55 120.62 2pnl h SER 633 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2pnl h SER 633 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2pnl h SER 633 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2pnl n ALA 634 N -2.06 1.39 -0.26 5.18 0.00 -1.26 -2.16 120.51 121.34 2pnl n ALA 634 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 2pnl n ALA 634 Cb 0.52 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 0.00 1.00 0.30 0.00 4.20 -1.50 -1.92 115.11 117.19 2pnl h GLN 635 Ca 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2pnl h GLN 635 Cb 0.16 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2pnl h GLN 635 CO 0.00 0.74 -0.41 1.25 -0.67 0.00 0.00 178.83 179.74 2pnl h LEU 636 N 1.00 -1.15 -1.30 1.46 5.85 -1.37 0.12 115.31 119.92 2pnl h LEU 636 Ca 0.26 0.11 0.08 0.00 0.84 0.00 0.00 57.88 59.17 2pnl h LEU 636 Cb 0.02 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2pnl h LEU 636 CO -0.04 -0.53 0.53 1.23 -0.34 0.00 0.00 178.44 179.29 2pnl h GLY 637 N -0.76 1.11 0.95 3.75 0.00 -1.73 -2.01 103.07 104.37 2pnl h GLY 637 Ca -0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 2pnl h GLY 637 CO -0.13 0.21 -0.36 1.41 0.00 0.00 0.00 176.54 177.68 2pnl h LEU 638 N 0.81 0.72 -0.80 3.11 -0.00 -1.00 0.50 115.31 118.64 2pnl h LEU 638 Ca 0.36 -0.52 0.05 0.00 -0.00 0.00 0.00 57.88 57.78 2pnl h LEU 638 Cb 0.35 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 40.75 2pnl h LEU 638 CO -0.14 1.10 0.49 -1.28 -0.00 0.00 0.00 178.44 178.61 2pnl h SER 639 N 0.36 0.78 0.19 -0.43 0.87 -0.46 -2.55 113.55 112.31 2pnl h SER 639 Ca 0.02 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.43 2pnl h SER 639 Cb 0.94 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2pnl h SER 639 CO 0.08 0.51 -0.64 -0.07 -0.53 0.00 0.00 176.83 176.18 2pnl h LEU 640 N 0.91 0.49 -0.74 2.23 3.38 -1.22 -2.06 115.31 118.31 2pnl h LEU 640 Ca 0.34 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2pnl h LEU 640 Cb 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2pnl h LEU 640 CO -0.16 1.00 0.30 0.25 0.09 0.00 0.00 178.44 179.92 2pnl h LEU 641 N 0.31 1.01 0.00 1.67 5.85 -0.52 -0.72 115.31 122.91 2pnl h LEU 641 Ca -0.01 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.39 2pnl h LEU 641 Cb 1.18 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2pnl h LEU 641 CO 0.11 0.90 -1.38 1.33 -0.34 0.00 0.00 178.44 179.06 2pnl n VAL 642 N -4.35 1.11 -0.09 1.05 0.24 -0.99 -4.29 118.33 111.02 2pnl n VAL 642 Ca 0.06 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.34 61.58 2pnl n VAL 642 Cb 0.17 -0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 31.75 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 -2.86 1.78 -0.00 -1.34 4.13 -0.78 -4.56 115.26 111.64 2pnl n ASN 643 Ca -0.09 -0.05 -0.04 0.00 1.68 0.00 0.00 54.58 56.08 2pnl n ASN 643 Cb 0.81 0.34 -0.01 0.00 -1.54 0.00 0.00 39.78 39.37 2pnl n ASN 643 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2pnl n ASP 644 N -2.80 1.05 -4.69 6.41 8.00 -0.38 -5.01 116.55 119.13 2pnl n ASP 644 Ca -0.29 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 54.94 2pnl n ASP 644 Cb 0.94 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.20 2.54 -0.16 0.53 1.01 -0.60 -4.91 121.20 117.41 2pnl s ILE 645 Ca -0.08 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 2pnl s ILE 645 Cb 0.02 -3.06 -0.10 0.00 0.01 0.00 0.00 42.46 39.33 2pnl s ILE 645 CO 0.11 0.00 -0.15 -0.62 0.00 0.00 0.00 174.94 174.29 2pnl n GLU 646 N 5.49 0.38 -3.80 2.79 -0.58 -1.26 -4.81 120.64 118.86 2pnl n GLU 646 Ca 0.17 0.10 -0.16 0.00 -0.42 0.00 0.00 57.16 56.85 2pnl n GLU 646 Cb 0.38 -1.27 -0.16 0.00 -0.57 0.00 0.00 31.44 29.82 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 -5.65 0.23 0.29 1.62 -0.00 -1.26 -4.73 116.67 107.17 2pnl s ASP 647 Ca -0.21 0.03 0.00 0.00 -0.00 0.00 0.00 52.55 52.37 2pnl s ASP 647 Cb 0.06 -0.11 0.00 0.00 -0.00 0.00 0.00 42.92 42.87 2pnl s ASP 647 CO 0.35 -0.13 0.00 0.61 -0.00 0.00 0.00 175.17 175.99 2pnl n GLY 648 N 4.26 -1.71 3.02 0.21 0.00 0.47 -4.87 105.19 106.57 2pnl n GLY 648 Ca -0.26 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 1.69 0.25 1.61 1.01 -1.26 -2.52 120.40 121.19 2pnl s VAL 649 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 2pnl s VAL 649 Cb 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 36.38 34.57 2pnl s VAL 649 CO 0.00 0.28 1.65 -2.65 0.00 0.00 0.00 175.10 174.39 2pnl n PRO 650 N 4.69 2.73 -2.84 2.72 -0.02 -1.26 -5.02 135.00 136.01 2pnl n PRO 650 Ca -0.16 0.98 -0.44 0.00 -2.02 0.00 0.00 63.50 61.86 2pnl n PRO 650 Cb 0.48 -2.79 -0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2pnl n PRO 650 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pnl s ARG 651 N 0.26 3.99 -0.08 -0.52 0.52 -1.26 -4.73 118.95 117.13 2pnl s ARG 651 Ca 0.69 -2.28 -0.03 0.00 -0.52 0.00 0.00 55.73 53.59 2pnl s ARG 651 Cb -0.50 -5.18 0.04 0.00 0.52 0.00 0.00 34.95 29.83 2pnl s ARG 651 CO 0.41 -1.91 0.14 0.08 0.02 0.00 0.00 175.30 174.04 2pnl s VAL 653 N 2.51 -0.23 -0.16 3.52 1.01 -0.53 -4.53 120.40 121.99 2pnl s VAL 653 Ca 0.45 0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 2pnl s VAL 653 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2pnl s VAL 653 CO 0.01 0.14 0.10 -0.36 0.00 0.00 0.00 175.10 174.99 2pnl s PHE 654 N 2.27 3.40 -0.02 5.22 0.08 -0.47 0.23 117.98 128.69 2pnl s PHE 654 Ca 0.04 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.39 2pnl s PHE 654 Cb -0.12 -2.04 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2pnl s PHE 654 CO -0.05 0.40 0.03 -0.08 -0.10 0.00 0.00 175.22 175.42 2pnl s THR 655 N -0.14 -0.03 0.00 0.64 -1.32 -0.45 -4.17 115.64 110.17 2pnl s THR 655 Ca 0.09 0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 2pnl s THR 655 Cb -0.12 -0.07 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 2pnl s THR 655 CO 0.01 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 2pnl n GLY 656 N 3.63 3.79 3.79 6.08 0.00 -0.92 -4.41 105.19 117.15 2pnl n GLY 656 Ca -0.20 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.80 4.46 -0.18 1.61 2.12 -0.61 -1.29 118.70 123.00 2pnl s GLU 657 Ca 0.00 1.04 -0.08 0.00 0.36 0.00 0.00 54.97 56.28 2pnl s GLU 657 Cb 0.00 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2pnl s GLU 657 CO 0.00 0.58 0.09 0.42 -0.54 0.00 0.00 175.26 175.82 2pnl s ILE 658 N -1.16 5.08 0.91 -3.70 -1.09 -1.26 0.13 121.20 120.11 2pnl s ILE 658 Ca 0.34 0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.68 2pnl s ILE 658 Cb -0.22 -3.29 0.16 0.00 -1.58 0.00 0.00 42.46 37.53 2pnl s ILE 658 CO 0.24 0.46 1.28 0.00 -1.23 0.00 0.00 174.94 175.69 2pnl s ALA 659 N 0.26 2.36 0.48 9.38 0.00 -0.05 -4.90 121.76 129.28 2pnl s ALA 659 Ca 0.06 -1.03 0.37 0.00 0.00 0.00 0.00 51.96 51.37 2pnl s ALA 659 Cb -0.12 -2.84 1.94 0.00 0.00 0.00 0.00 23.12 22.10 2pnl s ALA 659 CO -0.01 -2.20 2.22 -0.44 0.00 0.00 0.00 175.76 175.33 2pnl h ASP 660 N -1.46 0.00 1.31 0.00 3.45 -1.98 -0.75 116.42 116.98 2pnl h ASP 660 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 2pnl h ASP 660 Cb 1.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 2pnl h ASP 660 CO 0.47 0.03 0.00 -2.24 -1.57 0.00 0.00 179.24 175.92 2pnl h ASP 661 N 0.00 0.00 -0.00 6.45 3.04 -1.93 -3.47 116.42 120.51 2pnl h ASP 661 Ca -0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2pnl h ASP 661 Cb 0.18 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.47 2pnl h ASP 661 CO 0.00 0.00 -0.00 -0.62 -2.04 0.00 0.00 179.24 176.58 2pnl n GLU 662 N -2.49 -0.16 0.00 4.15 1.02 -0.29 -4.83 120.64 118.04 2pnl n GLU 662 Ca 0.04 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2pnl n GLU 662 Cb 0.38 -3.18 0.00 0.00 -0.02 0.00 0.00 31.44 28.61 2pnl n GLU 662 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pnl n GLU 663 N -2.69 0.07 -2.52 3.49 -0.58 -1.26 -4.77 120.64 112.38 2pnl n GLU 663 Ca -0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2pnl n GLU 663 Cb 0.04 -0.96 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 2pnl n GLU 663 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2pnl s THR 664 N -1.92 4.35 -0.24 2.62 2.01 -1.26 -2.11 115.64 119.08 2pnl s THR 664 Ca 0.00 1.67 -0.12 0.00 0.31 0.00 0.00 61.69 63.55 2pnl s THR 664 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2pnl s THR 664 CO 0.00 0.07 0.24 -0.63 -0.69 0.00 0.00 174.62 173.61 2pnl s ILE 665 N 1.59 5.30 -0.21 1.82 1.01 -1.26 -0.88 121.20 128.57 2pnl s ILE 665 Ca 0.55 0.33 -0.12 0.00 0.00 0.00 0.00 60.65 61.41 2pnl s ILE 665 Cb -0.25 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2pnl s ILE 665 CO 0.25 0.29 0.24 -0.63 0.00 0.00 0.00 174.94 175.09 2pnl s ILE 666 N 1.36 5.32 0.59 2.92 1.01 0.12 -4.89 121.20 127.63 2pnl s ILE 666 Ca 0.11 0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.94 2pnl s ILE 666 Cb -0.14 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2pnl s ILE 666 CO 0.07 0.34 1.12 -2.65 0.00 0.00 0.00 174.94 173.82 2pnl n PRO 667 N 4.10 1.12 -4.01 2.79 -0.02 -1.26 -1.57 135.00 136.15 2pnl n PRO 667 Ca -0.13 0.43 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 2pnl n PRO 667 Cb 0.52 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 2pnl n PRO 667 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2pnl s ILE 668 N -1.43 2.14 0.28 4.25 -5.25 -1.26 -4.75 121.20 115.18 2pnl s ILE 668 Ca 0.76 -1.60 -0.01 0.00 -0.99 0.00 0.00 60.65 58.81 2pnl s ILE 668 Cb -0.42 -2.74 -0.04 0.00 2.95 0.00 0.00 42.46 42.22 2pnl s ILE 668 CO 0.46 0.00 0.49 0.00 -1.79 0.00 0.00 174.94 174.11 2pnl n GLY 670 N -1.21 0.11 0.36 0.00 0.00 -1.26 -4.96 105.19 98.22 2pnl n GLY 670 Ca -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.34 1.23 -0.51 1.61 3.04 -1.95 -1.39 116.25 117.93 2pnl h VAL 671 Ca -0.22 -0.43 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 2pnl h VAL 671 Cb 1.15 -0.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 2pnl h VAL 671 CO 0.24 0.23 0.07 0.44 -1.01 0.00 0.00 177.57 177.54 2pnl h ASP 672 N 1.26 0.76 -0.41 3.17 3.32 -1.93 -0.45 116.42 122.13 2pnl h ASP 672 Ca 0.35 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pnl h ASP 672 Cb -0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 2pnl h ASP 672 CO -0.08 0.78 0.25 0.40 -1.72 0.00 0.00 179.24 178.87 2pnl h ILE 673 N 0.77 1.13 -0.60 0.35 1.08 -1.76 -2.51 117.51 115.97 2pnl h ILE 673 Ca 0.16 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2pnl h ILE 673 Cb 0.36 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 2pnl h ILE 673 CO 0.01 0.13 0.32 0.00 -0.69 0.00 0.00 178.15 177.92 2pnl h ALA 674 N 1.12 0.76 -0.27 1.87 0.00 -0.84 -2.60 119.26 119.30 2pnl h ALA 674 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pnl h ALA 674 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2pnl h ALA 674 CO -0.03 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.66 2pnl h ALA 675 N 1.15 0.33 -0.10 0.00 0.00 -1.02 -0.83 119.26 118.80 2pnl h ALA 675 Ca 0.21 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2pnl h ALA 675 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2pnl h ALA 675 CO -0.03 -0.24 -0.07 0.82 0.00 0.00 0.00 179.25 179.73 2pnl h ILE 676 N 0.31 0.79 -0.15 0.00 2.04 -1.26 0.49 117.51 119.73 2pnl h ILE 676 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 2pnl h ILE 676 Cb 0.01 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2pnl h ILE 676 CO -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.05 2pnl h ALA 677 N 1.00 0.09 -0.21 1.87 0.00 -1.25 -0.45 119.26 120.31 2pnl h ALA 677 Ca 0.06 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2pnl h ALA 677 Cb 0.17 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2pnl h ALA 677 CO -0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 179.25 178.60 2pnl h ALA 678 N 1.13 0.17 -0.36 0.00 0.00 -0.85 -3.15 119.26 116.19 2pnl h ALA 678 Ca 0.07 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2pnl h ALA 678 Cb 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2pnl h ALA 678 CO -0.16 -0.45 -0.15 0.45 0.00 0.00 0.00 179.25 178.94 2pnl h HIS 679 N 0.04 0.72 -0.26 0.00 3.86 -0.75 -0.10 115.15 118.66 2pnl h HIS 679 Ca 0.10 -0.13 0.07 0.00 -1.16 0.00 0.00 60.37 59.25 2pnl h HIS 679 Cb 0.14 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2pnl h HIS 679 CO -0.20 0.77 0.29 0.93 0.86 0.00 0.00 177.93 180.58 2pnl h GLU 680 N 0.59 0.00 -0.38 2.45 5.08 -1.04 0.83 114.58 122.10 2pnl h GLU 680 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2pnl h GLU 680 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2pnl h GLU 680 CO 0.04 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.09 2pnl n GLN 681 N -3.74 3.63 -2.01 2.33 6.02 -0.17 -4.96 117.38 118.47 2pnl n GLN 681 Ca 0.03 -2.94 -0.13 0.00 -0.01 0.00 0.00 57.00 53.95 2pnl n GLN 681 Cb 0.43 -1.98 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 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 -0.06 0.25 3.44 1.08 0.00 0.29 -5.00 105.19 105.19 2pnl n GLY 682 Ca 0.23 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.56 2.53 0.35 0.99 1.43 -0.46 -4.99 118.68 114.96 2pnl s LEU 683 Ca 0.00 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 2pnl s LEU 683 Cb 0.00 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 2pnl s LEU 683 CO 0.00 0.23 1.03 -2.16 0.23 0.00 0.00 176.35 175.67 2pnl s PRO 684 N -1.66 4.40 -0.15 1.29 0.04 -1.26 -3.35 135.00 134.31 2pnl s PRO 684 Ca 0.15 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 2pnl s PRO 684 Cb -0.10 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2pnl s PRO 684 CO 0.06 0.07 0.48 -1.17 0.04 0.00 0.00 177.00 176.48 2pnl s LEU 685 N -2.18 4.23 -0.15 -3.56 2.96 -1.26 -1.45 118.68 117.27 2pnl s LEU 685 Ca 0.52 0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 55.16 2pnl s LEU 685 Cb -0.23 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 2pnl s LEU 685 CO 0.29 -0.06 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.56 2pnl s ILE 686 N 0.98 3.57 -0.00 6.68 -1.09 0.14 -0.54 121.20 130.93 2pnl s ILE 686 Ca 0.25 -0.47 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 2pnl s ILE 686 Cb -0.15 -2.54 0.04 0.00 -1.58 0.00 0.00 42.46 38.23 2pnl s ILE 686 CO 0.10 0.50 0.53 0.61 -1.23 0.00 0.00 174.94 175.46 2pnl n GLY 687 N 3.56 0.51 2.80 6.18 0.00 -1.07 -1.35 105.19 115.82 2pnl n GLY 687 Ca -0.18 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.58 5.02 -3.56 1.61 4.05 -1.25 -1.11 115.26 119.44 2pnl n ASN 688 Ca 0.02 -3.70 -0.07 0.00 0.45 0.00 0.00 54.58 51.27 2pnl n ASN 688 Cb 0.25 -0.63 -0.03 0.00 1.23 0.00 0.00 39.78 40.60 2pnl n ASN 688 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnl s GLN 689 N -3.62 0.56 0.51 1.20 -2.07 -1.26 -4.56 119.66 110.42 2pnl s GLN 689 Ca 0.48 -0.14 -0.23 0.00 -1.82 0.00 0.00 55.36 53.66 2pnl s GLN 689 Cb 0.31 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 32.43 2pnl s GLN 689 CO -0.16 -0.23 1.32 -2.14 -1.32 0.00 0.00 175.29 172.75 2pnl s PRO 690 N -2.39 3.38 0.00 9.60 0.02 -1.26 -3.35 135.00 140.99 2pnl s PRO 690 Ca 0.05 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.22 2pnl s PRO 690 Cb -0.01 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 32.15 2pnl s PRO 690 CO -0.05 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.05 2pnl n GLY 691 N 0.65 0.39 3.90 0.52 0.00 -1.26 -4.97 105.19 104.41 2pnl n GLY 691 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 5.03 0.12 1.61 0.11 -1.21 -4.76 120.40 119.29 2pnl s VAL 692 Ca 0.00 0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.08 2pnl s VAL 692 Cb 0.00 -3.69 -0.14 0.00 -1.53 0.00 0.00 36.38 31.02 2pnl s VAL 692 CO 0.00 -0.22 1.34 0.44 -3.33 0.00 0.00 175.10 173.33 2pnl h ASP 693 N 2.02 0.84 -3.45 3.54 3.32 -1.18 -3.45 116.42 118.06 2pnl h ASP 693 Ca -0.47 -0.55 -0.41 0.00 0.02 0.00 0.00 57.03 55.62 2pnl h ASP 693 Cb 1.18 -0.25 -0.34 0.00 0.22 0.00 0.00 39.33 40.14 2pnl h ASP 693 CO 0.68 1.33 -0.77 -1.61 -1.72 0.00 0.00 179.24 177.15 2pnl s GLU 694 N -3.74 0.83 -0.13 3.56 2.02 -1.04 -5.00 118.70 115.20 2pnl s GLU 694 Ca -0.09 -0.10 -0.18 0.00 0.02 0.00 0.00 54.97 54.62 2pnl s GLU 694 Cb 0.09 -0.85 -0.04 0.00 0.10 0.00 0.00 34.13 33.43 2pnl s GLU 694 CO 0.89 -0.09 0.45 -1.21 0.02 0.00 0.00 175.26 175.32 2pnl s GLU 695 N 0.96 4.33 -0.25 1.61 2.02 -1.26 -2.59 118.70 123.52 2pnl s GLU 695 Ca -0.10 0.40 0.01 0.00 0.02 0.00 0.00 54.97 55.29 2pnl s GLU 695 Cb -0.14 -3.44 0.06 0.00 0.10 0.00 0.00 34.13 30.72 2pnl s GLU 695 CO -0.00 0.17 -0.05 0.14 0.02 0.00 0.00 175.26 175.54 2pnl s VAL 696 N 0.61 1.62 0.51 2.63 -7.23 -0.27 -4.96 120.40 113.32 2pnl s VAL 696 Ca 0.25 -1.35 0.18 0.00 -1.81 0.00 0.00 61.98 59.25 2pnl s VAL 696 Cb -0.15 -1.90 0.27 0.00 0.56 0.00 0.00 36.38 35.16 2pnl s VAL 696 CO 0.09 -0.15 2.13 -0.09 -0.31 0.00 0.00 175.10 176.77 2pnl h ARG 697 N 7.92 0.00 -3.63 4.82 9.65 -1.95 -3.34 114.38 127.85 2pnl h ARG 697 Ca -0.17 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.59 2pnl h ARG 697 Cb 1.06 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.58 2pnl h ARG 697 CO 0.43 0.04 -0.03 0.54 2.80 0.00 0.00 179.97 183.75 2pnl s ASN 698 N -6.87 0.29 0.31 -3.80 2.20 -1.26 -4.16 114.94 101.65 2pnl s ASN 698 Ca -0.05 -1.17 0.12 0.00 -0.94 0.00 0.00 52.86 50.83 2pnl s ASN 698 Cb 0.16 0.69 0.48 0.00 -2.00 0.00 0.00 41.25 40.58 2pnl s ASN 698 CO 0.65 -1.35 1.68 0.71 -2.94 0.00 0.00 177.10 175.85 2pnl h THR 699 N 2.12 1.33 -0.63 0.54 1.35 -1.73 -2.06 112.91 113.84 2pnl h THR 699 Ca -0.28 -1.85 0.03 0.00 -0.55 0.00 0.00 66.41 63.76 2pnl h THR 699 Cb 1.25 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 69.64 2pnl h THR 699 CO 0.37 0.52 0.39 -1.28 -0.25 0.00 0.00 175.52 175.27 2pnl h SER 700 N 0.00 0.64 0.24 5.36 0.87 -1.92 0.28 113.55 119.03 2pnl h SER 700 Ca -0.01 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 2pnl h SER 700 Cb 0.97 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2pnl h SER 700 CO 0.07 0.44 -0.59 -0.07 -0.53 0.00 0.00 176.83 176.15 2pnl h LEU 701 N 0.76 0.39 -0.67 2.23 3.38 -1.89 -0.99 115.31 118.53 2pnl h LEU 701 Ca 0.25 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2pnl h LEU 701 Cb 0.02 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2pnl h LEU 701 CO -0.10 0.89 0.23 0.00 0.09 0.00 0.00 178.44 179.55 2pnl h ALA 702 N 1.11 0.88 -0.35 1.53 0.00 -1.23 -1.38 119.26 119.82 2pnl h ALA 702 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2pnl h ALA 702 Cb 1.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2pnl h ALA 702 CO 0.10 0.54 0.21 0.00 0.00 0.00 0.00 179.25 180.10 2pnl h ALA 703 N 1.10 0.45 -0.87 0.00 0.00 -0.79 -1.78 119.26 117.37 2pnl h ALA 703 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2pnl h ALA 703 Cb 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2pnl h ALA 703 CO -0.01 -0.05 0.54 1.25 0.00 0.00 0.00 179.25 180.98 2pnl h HIS 704 N 0.46 0.99 -0.49 0.00 6.17 -1.02 -2.03 115.15 119.23 2pnl h HIS 704 Ca 0.13 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.17 2pnl h HIS 704 Cb 0.02 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 29.61 2pnl h HIS 704 CO -0.04 0.48 0.04 1.25 0.71 0.00 0.00 177.93 180.38 2pnl h LEU 705 N 0.96 0.74 -0.47 0.26 5.85 -1.00 -0.17 115.31 121.48 2pnl h LEU 705 Ca 0.39 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2pnl h LEU 705 Cb 0.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2pnl h LEU 705 CO -0.19 0.78 0.24 0.40 -0.34 0.00 0.00 178.44 179.33 2pnl h ILE 706 N 0.74 1.18 -0.01 4.05 2.04 -0.64 0.25 117.51 125.13 2pnl h ILE 706 Ca 0.15 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2pnl h ILE 706 Cb 0.39 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2pnl h ILE 706 CO 0.01 0.20 -0.04 1.56 0.00 0.00 0.00 178.15 179.88 2pnl h GLN 707 N 0.62 -0.07 -0.25 2.37 4.20 -0.87 -2.94 115.11 118.17 2pnl h GLN 707 Ca 0.16 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 2pnl h GLN 707 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2pnl h GLN 707 CO -0.02 -0.04 -0.20 1.79 -0.67 0.00 0.00 178.83 179.68 2pnl h THR 708 N -0.07 1.25 0.00 -0.54 1.35 -0.98 -3.46 112.91 110.46 2pnl h THR 708 Ca 0.02 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2pnl h THR 708 Cb 0.10 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2pnl h THR 708 CO -0.05 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2pnl n GLY 709 N -0.50 2.39 3.06 5.82 0.00 0.89 -4.92 105.19 111.93 2pnl n GLY 709 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2pnl n GLY 709 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pnl s THR 710 N -0.77 0.18 0.03 2.61 -1.32 -1.26 -4.93 115.64 110.18 2pnl s THR 710 Ca 0.00 -1.51 -0.30 0.00 -1.21 0.00 0.00 61.69 58.66 2pnl s THR 710 Cb 0.00 -1.11 -0.07 0.00 -1.51 0.00 0.00 72.50 69.81 2pnl s THR 710 CO 0.00 -0.83 1.53 -0.22 -2.21 0.00 0.00 174.62 172.89 2pnl s LEU 711 N -2.44 4.34 0.52 9.08 2.96 -1.26 -4.95 118.68 126.92 2pnl s LEU 711 Ca -0.00 2.29 -0.21 0.00 -0.22 0.00 0.00 54.13 55.98 2pnl s LEU 711 Cb 0.02 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 2pnl s LEU 711 CO -0.07 -0.81 0.94 -2.65 -1.32 0.00 0.00 176.35 172.44 2pnl n PRO 712 N 5.59 1.06 -3.89 0.98 -0.02 -1.26 -4.98 135.00 132.49 2pnl n PRO 712 Ca 0.15 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 2pnl n PRO 712 Cb 0.42 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.44 5.33 -0.20 -1.45 1.01 -1.26 -5.10 120.40 117.30 2pnl s VAL 713 Ca 0.69 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2pnl s VAL 713 Cb -0.48 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2pnl s VAL 713 CO 0.52 0.56 -0.08 -1.10 0.00 0.00 0.00 175.10 174.99 2pnl s GLN 714 N -0.53 3.32 -0.21 2.72 -0.21 -1.26 -5.09 119.66 118.41 2pnl s GLN 714 Ca 0.12 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.84 2pnl s GLN 714 Cb -0.12 -2.87 0.05 0.00 1.00 0.00 0.00 33.01 31.07 2pnl s GLN 714 CO 0.02 -0.11 -0.10 0.50 -2.12 0.00 0.00 175.29 173.48 2pnl s ARG 715 N 1.21 2.00 0.00 2.91 3.52 -1.26 -5.34 118.95 121.99 2pnl s ARG 715 Ca 0.02 -0.92 0.22 0.00 -0.13 0.00 0.00 55.73 54.92 2pnl s ARG 715 Cb -0.14 -2.50 1.29 0.00 -1.56 0.00 0.00 34.95 32.04 2pnl s ARG 715 CO -0.03 -0.47 1.67 0.00 -0.81 0.00 0.00 175.30 175.66