#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnl n LYS 515 N 0.00 0.64 -1.68 1.61 2.85 -0.95 -3.54 118.16 117.09 2pnl n LYS 515 Ca 0.00 0.23 -0.46 0.00 -1.05 0.00 0.00 58.31 57.03 2pnl n LYS 515 Cb 0.00 -1.82 -0.04 0.00 -0.65 0.00 0.00 35.03 32.52 2pnl n LYS 515 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2pnl n PHE 516 N 2.66 2.33 -3.92 5.58 -0.00 -1.26 -2.91 117.46 119.95 2pnl n PHE 516 Ca 0.21 0.12 -0.29 0.00 -0.00 0.00 0.00 57.45 57.49 2pnl n PHE 516 Cb 0.12 -2.61 -0.16 0.00 -0.00 0.00 0.00 39.48 36.83 2pnl n PHE 516 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2pnl s SER 517 N 2.30 2.87 0.17 -2.13 1.04 -0.58 -4.91 113.70 112.46 2pnl s SER 517 Ca 0.84 -0.66 -0.20 0.00 0.48 0.00 0.00 55.95 56.41 2pnl s SER 517 Cb -0.66 -0.99 0.08 0.00 0.10 0.00 0.00 66.02 64.56 2pnl s SER 517 CO 0.43 -0.16 1.62 -0.09 0.98 0.00 0.00 173.24 176.02 2pnl h ARG 518 N 8.09 -0.17 -0.21 4.02 9.65 -1.94 0.25 114.38 134.07 2pnl h ARG 518 Ca -0.26 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.68 2pnl h ARG 518 Cb 1.11 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.67 2pnl h ARG 518 CO 0.43 -0.11 -0.21 0.00 2.80 0.00 0.00 179.97 182.88 2pnl h ALA 519 N 1.02 -0.09 0.08 2.80 0.00 -1.99 0.16 119.26 121.24 2pnl h ALA 519 Ca 0.19 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2pnl h ALA 519 Cb 0.46 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2pnl h ALA 519 CO -0.48 -0.64 -0.12 1.25 0.00 0.00 0.00 179.25 179.26 2pnl h LEU 520 N -0.22 -0.32 -0.65 0.00 7.12 -1.91 -1.70 115.31 117.63 2pnl h LEU 520 Ca 0.13 0.04 0.11 0.00 0.13 0.00 0.00 57.88 58.28 2pnl h LEU 520 Cb 0.41 0.12 -0.12 0.00 -0.53 0.00 0.00 40.66 40.55 2pnl h LEU 520 CO -0.34 -0.18 -0.37 0.50 -0.13 0.00 0.00 178.44 177.92 2pnl h LYS 521 N -0.24 -0.15 -0.17 1.25 1.63 -0.01 -2.62 116.57 116.26 2pnl h LYS 521 Ca 0.02 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.74 2pnl h LYS 521 Cb 0.25 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2pnl h LYS 521 CO -0.06 -0.10 -0.28 -0.91 -3.45 0.00 0.00 179.45 174.65 2pnl h ASN 522 N -0.15 0.32 -0.06 4.20 2.35 -0.56 -1.97 115.58 119.72 2pnl h ASN 522 Ca 0.24 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2pnl h ASN 522 Cb 0.56 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2pnl h ASN 522 CO -0.73 0.60 -0.20 0.03 -1.65 0.00 0.00 177.43 175.48 2pnl h ARG 523 N 0.29 0.24 0.00 0.81 3.08 -0.96 -1.67 114.38 116.16 2pnl h ARG 523 Ca 0.04 -0.18 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 2pnl h ARG 523 Cb 0.64 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2pnl h ARG 523 CO 0.05 0.81 -0.78 -0.07 -1.07 0.00 0.00 179.97 178.91 2pnl h LEU 524 N -0.29 0.00 0.00 3.04 3.38 -1.55 -3.17 115.31 116.72 2pnl h LEU 524 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pnl h LEU 524 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2pnl h LEU 524 CO 0.04 0.78 -0.02 -0.33 0.09 0.00 0.00 178.44 179.01 2pnl h GLU 525 N 0.00 0.00 0.00 1.13 5.08 -1.40 -3.05 114.58 116.34 2pnl h GLU 525 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2pnl h GLU 525 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2pnl h GLU 525 CO 0.10 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.77 2pnl h SER 526 N 0.00 0.00 0.46 1.42 4.64 -1.27 -2.16 113.55 116.64 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 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2pnl h SER 526 CO 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.50 2pnl n ALA 527 N -2.04 3.46 -1.65 5.18 0.00 -1.15 -4.95 120.51 119.35 2pnl n ALA 527 Ca -0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 2pnl n ALA 527 Cb 0.08 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.36 1.76 -3.78 0.00 5.03 -0.81 -4.74 115.26 111.34 2pnl n ASN 528 Ca 0.07 1.05 -0.08 0.00 0.87 0.00 0.00 54.58 56.49 2pnl n ASN 528 Cb 0.34 -1.41 -0.02 0.00 -1.02 0.00 0.00 39.78 37.66 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 -1.25 -0.03 -1.38 3.10 -0.85 -0.25 -4.96 117.35 111.73 2pnl s TYR 529 Ca 0.63 -0.43 -0.04 0.00 -0.52 0.00 0.00 57.07 56.71 2pnl s TYR 529 Cb -0.53 0.61 0.02 0.00 0.38 0.00 0.00 41.96 42.44 2pnl s TYR 529 CO 0.57 -1.22 0.76 0.39 -1.52 0.00 0.00 175.55 174.52 2pnl n GLU 530 N -0.45 -4.98 -1.84 -3.49 1.02 -1.26 0.49 120.64 110.12 2pnl n GLU 530 Ca -0.04 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.27 2pnl n GLU 530 Cb 0.60 -5.22 -0.03 0.00 -0.02 0.00 0.00 31.44 26.77 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 -6.20 3.80 0.16 3.49 2.12 -1.26 -4.16 118.70 116.64 2pnl s GLU 531 Ca 0.19 2.12 0.08 0.00 0.36 0.00 0.00 54.97 57.72 2pnl s GLU 531 Cb -0.10 -4.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 2pnl s GLU 531 CO 0.82 -1.32 -0.16 0.14 -0.54 0.00 0.00 175.26 174.20 2pnl s VAL 532 N 5.56 1.66 -0.37 3.70 -7.23 -0.27 -5.00 120.40 118.45 2pnl s VAL 532 Ca 0.84 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.03 2pnl s VAL 532 Cb -0.34 -1.80 0.07 0.00 0.56 0.00 0.00 36.38 34.87 2pnl s VAL 532 CO 0.35 -0.41 0.15 -0.70 -0.31 0.00 0.00 175.10 174.18 2pnl s GLU 533 N -2.95 2.42 0.55 4.82 2.12 -1.26 -0.84 118.70 123.55 2pnl s GLU 533 Ca 0.15 -1.44 -0.16 0.00 0.36 0.00 0.00 54.97 53.88 2pnl s GLU 533 Cb -0.04 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 2pnl s GLU 533 CO 0.06 -0.84 1.01 -0.51 -0.54 0.00 0.00 175.26 174.44 2pnl s LEU 534 N 1.31 3.56 0.94 2.70 1.43 -0.10 -4.94 118.68 123.57 2pnl s LEU 534 Ca 0.01 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 2pnl s LEU 534 Cb -0.21 -4.52 0.15 0.00 0.03 0.00 0.00 46.19 41.64 2pnl s LEU 534 CO -0.00 -0.82 1.09 -2.16 0.23 0.00 0.00 176.35 174.69 2pnl s PRO 535 N -4.13 0.93 0.10 1.29 0.04 -1.26 -1.87 135.00 130.11 2pnl s PRO 535 Ca 0.60 0.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 2pnl s PRO 535 Cb -0.12 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.56 2pnl s PRO 535 CO 0.34 -2.44 1.50 -2.14 0.04 0.00 0.00 177.00 174.30 2pnl s PRO 536 N -4.92 4.26 0.10 0.56 0.02 -1.26 -4.29 135.00 129.47 2pnl s PRO 536 Ca 0.64 2.20 -0.30 0.00 0.02 0.00 0.00 61.00 63.56 2pnl s PRO 536 Cb -0.18 -3.35 -0.06 0.00 0.02 0.00 0.00 34.50 30.93 2pnl s PRO 536 CO 0.57 -0.57 0.97 -2.14 -0.33 0.00 0.00 177.00 175.50 2pnl s PRO 537 N 1.65 4.69 0.31 5.54 0.02 -1.26 -4.96 135.00 140.99 2pnl s PRO 537 Ca 0.68 1.46 0.07 0.00 0.02 0.00 0.00 61.00 63.22 2pnl s PRO 537 Cb -0.39 -3.38 0.85 0.00 0.02 0.00 0.00 34.50 31.60 2pnl s PRO 537 CO 0.30 0.19 1.66 0.66 -0.33 0.00 0.00 177.00 179.49 2pnl h SER 538 N 5.65 0.24 -4.85 2.53 4.64 -1.96 -3.42 113.55 116.38 2pnl h SER 538 Ca -0.43 0.19 -0.48 0.00 -0.47 0.00 0.00 61.79 60.60 2pnl h SER 538 Cb 1.21 0.20 -0.13 0.00 -0.31 0.00 0.00 62.40 63.37 2pnl h SER 538 CO 0.72 -0.12 -0.47 2.29 -0.87 0.00 0.00 176.83 178.38 2pnl n LYS 539 N -5.13 0.42 0.00 4.77 2.85 -1.26 -1.14 118.16 118.66 2pnl n LYS 539 Ca 0.25 -3.34 0.00 0.00 -1.05 0.00 0.00 58.31 54.18 2pnl n LYS 539 Cb 0.78 2.68 0.00 0.00 -0.65 0.00 0.00 35.03 37.84 2pnl n LYS 539 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pnl n GLY 540 N -0.65 2.92 3.18 2.58 0.00 -1.20 -4.47 105.19 107.55 2pnl n GLY 540 Ca 0.07 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.71 1.44 -0.11 1.61 0.11 -0.96 -3.95 120.40 116.82 2pnl s VAL 541 Ca 0.00 -0.81 -0.03 0.00 -2.93 0.00 0.00 61.98 58.21 2pnl s VAL 541 Cb 0.00 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 2pnl s VAL 541 CO 0.00 0.38 0.01 -0.63 -3.33 0.00 0.00 175.10 171.53 2pnl s ILE 542 N -0.46 4.38 0.13 7.04 1.01 -1.26 -1.39 121.20 130.64 2pnl s ILE 542 Ca 0.07 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2pnl s ILE 542 Cb -0.07 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2pnl s ILE 542 CO -0.00 0.57 -0.11 0.68 0.00 0.00 0.00 174.94 176.08 2pnl s VAL 543 N -0.51 1.11 0.49 2.92 -7.23 -0.88 -1.51 120.40 114.78 2pnl s VAL 543 Ca 0.09 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2pnl s VAL 543 Cb -0.12 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.20 2pnl s VAL 543 CO 0.02 -0.64 0.70 -2.16 -0.31 0.00 0.00 175.10 172.71 2pnl s PRO 544 N -3.28 2.78 -0.05 4.82 0.04 -1.26 -1.62 135.00 136.43 2pnl s PRO 544 Ca 0.12 -0.73 -0.07 0.00 0.04 0.00 0.00 61.00 60.36 2pnl s PRO 544 Cb -0.00 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 32.00 2pnl s PRO 544 CO 0.01 -0.48 0.18 0.08 0.04 0.00 0.00 177.00 176.82 2pnl s VAL 545 N -2.62 0.02 -0.01 -0.36 1.01 -0.28 -4.82 120.40 113.35 2pnl s VAL 545 Ca 0.53 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2pnl s VAL 545 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2pnl s VAL 545 CO 0.37 -0.11 -0.12 -0.69 0.00 0.00 0.00 175.10 174.55 2pnl s VAL 546 N -0.35 3.22 -0.07 2.92 1.01 -1.26 -0.15 120.40 125.72 2pnl s VAL 546 Ca -0.04 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.15 2pnl s VAL 546 Cb -0.03 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2pnl s VAL 546 CO 0.01 0.47 -0.23 -1.00 0.00 0.00 0.00 175.10 174.34 2pnl s HIS 547 N -0.87 2.34 0.12 5.22 3.76 0.61 -4.98 115.29 121.49 2pnl s HIS 547 Ca 0.14 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 54.28 2pnl s HIS 547 Cb -0.11 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 2pnl s HIS 547 CO 0.04 -0.28 -0.08 -0.08 -0.85 0.00 0.00 174.74 173.48 2pnl s THR 548 N 0.07 0.90 0.03 1.30 -1.32 -1.26 -2.36 115.64 113.00 2pnl s THR 548 Ca -0.09 -1.95 0.02 0.00 -1.21 0.00 0.00 61.69 58.45 2pnl s THR 548 Cb -0.15 -1.71 -0.02 0.00 -1.51 0.00 0.00 72.50 69.11 2pnl s THR 548 CO 0.05 -0.79 -0.07 0.54 -2.21 0.00 0.00 174.62 172.14 2pnl s VAL 549 N -3.38 0.46 0.43 5.08 0.11 -1.26 -5.06 120.40 116.79 2pnl s VAL 549 Ca 0.13 -0.94 0.11 0.00 -2.93 0.00 0.00 61.98 58.35 2pnl s VAL 549 Cb 0.03 -0.53 0.21 0.00 -1.53 0.00 0.00 36.38 34.56 2pnl s VAL 549 CO -0.02 -0.33 2.00 0.07 -3.33 0.00 0.00 175.10 173.49 2pnl h LYS 550 N 4.73 0.22 0.00 1.54 -0.00 -2.00 -2.85 116.57 118.20 2pnl h LYS 550 Ca -0.34 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 60.27 2pnl h LYS 550 Cb 1.20 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 2pnl h LYS 550 CO 0.42 0.27 0.00 -1.13 -0.00 0.00 0.00 179.45 179.01 2pnl n SER 551 N -4.38 0.00 -3.91 7.07 3.41 -1.26 -4.46 113.62 110.09 2pnl n SER 551 Ca -0.01 -0.82 -0.30 0.00 -0.26 0.00 0.00 58.87 57.49 2pnl n SER 551 Cb 0.18 -0.03 -0.16 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 s ALA 552 N -2.06 1.77 0.02 7.33 0.00 -1.08 -5.07 121.76 122.67 2pnl s ALA 552 Ca 0.41 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2pnl s ALA 552 Cb 0.20 -1.33 -0.25 0.00 0.00 0.00 0.00 23.12 21.73 2pnl s ALA 552 CO 0.34 -1.09 0.90 -1.00 0.00 0.00 0.00 175.76 174.91 2pnl h PRO 553 N 8.02 0.12 -0.39 0.00 0.13 -1.82 -3.31 132.00 134.75 2pnl h PRO 553 Ca -0.20 -0.21 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 2pnl h PRO 553 Cb 1.09 0.08 -0.33 0.00 0.13 0.00 0.00 31.00 31.96 2pnl h PRO 553 CO 0.41 0.93 -0.88 0.41 -0.23 0.00 0.00 178.00 178.63 2pnl n GLY 554 N 1.57 3.90 3.07 1.56 0.00 -1.26 -5.06 105.19 108.97 2pnl n GLY 554 Ca -0.13 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.00 1.39 0.16 1.61 2.02 -1.25 -2.24 118.70 117.39 2pnl s GLU 555 Ca 0.39 -0.47 -0.14 0.00 0.02 0.00 0.00 54.97 54.77 2pnl s GLU 555 Cb 0.37 -1.24 0.02 0.00 0.10 0.00 0.00 34.13 33.38 2pnl s GLU 555 CO -0.04 0.19 0.39 0.00 0.02 0.00 0.00 175.26 175.82 2pnl s ALA 556 N 0.09 -0.58 0.07 5.21 0.00 -1.14 -4.64 121.76 120.76 2pnl s ALA 556 Ca -0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 2pnl s ALA 556 Cb -0.10 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.83 2pnl s ALA 556 CO 0.01 -0.69 0.39 -0.59 0.00 0.00 0.00 175.76 174.88 2pnl s PHE 557 N -3.89 -0.22 0.22 0.00 -0.12 -1.00 -1.53 117.98 111.45 2pnl s PHE 557 Ca 0.10 0.09 0.06 0.00 -0.05 0.00 0.00 56.93 57.13 2pnl s PHE 557 Cb 0.02 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 2pnl s PHE 557 CO -0.05 -0.60 0.19 0.20 -0.05 0.00 0.00 175.22 174.91 2pnl s GLY 558 N -2.23 1.50 0.25 1.99 0.00 -1.26 -0.28 107.32 107.29 2pnl s GLY 558 Ca -0.03 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.37 2pnl s GLY 558 CO -0.05 -1.37 0.15 -0.45 0.00 0.00 0.00 173.10 171.38 2pnl s SER 559 N -3.61 0.87 0.13 1.64 0.15 0.79 -4.71 113.70 108.96 2pnl s SER 559 Ca 0.32 -1.48 0.11 0.00 0.70 0.00 0.00 55.95 55.60 2pnl s SER 559 Cb -0.09 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 2pnl s SER 559 CO 0.25 -0.86 -0.26 -0.76 1.20 0.00 0.00 173.24 172.80 2pnl s LEU 560 N -3.27 2.33 0.06 3.45 1.43 -1.26 -1.13 118.68 120.29 2pnl s LEU 560 Ca 0.38 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2pnl s LEU 560 Cb 0.06 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.06 2pnl s LEU 560 CO 0.16 0.17 -0.10 0.00 0.23 0.00 0.00 176.35 176.80 2pnl s ALA 561 N -1.10 0.82 -0.02 4.21 0.00 -0.64 -1.08 121.76 123.94 2pnl s ALA 561 Ca 0.14 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.28 2pnl s ALA 561 Cb -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2pnl s ALA 561 CO 0.06 0.04 -0.20 -1.50 0.00 0.00 0.00 175.76 174.17 2pnl s ILE 562 N -1.43 1.56 -0.22 0.00 2.07 -0.41 -2.08 121.20 120.69 2pnl s ILE 562 Ca -0.06 -0.84 0.02 0.00 -1.41 0.00 0.00 60.65 58.36 2pnl s ILE 562 Cb -0.09 -1.30 0.04 0.00 0.13 0.00 0.00 42.46 41.24 2pnl s ILE 562 CO 0.01 0.44 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.70 2pnl s ILE 563 N -0.43 2.09 0.13 2.00 1.01 -0.49 0.25 121.20 125.75 2pnl s ILE 563 Ca 0.07 -1.29 0.06 0.00 0.00 0.00 0.00 60.65 59.49 2pnl s ILE 563 Cb -0.08 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2pnl s ILE 563 CO -0.01 0.23 -0.14 0.27 0.00 0.00 0.00 174.94 175.29 2pnl s ILE 564 N 1.20 1.39 1.09 2.92 -0.00 -0.78 -2.26 121.20 124.76 2pnl s ILE 564 Ca -0.02 -1.76 -0.13 0.00 -0.00 0.00 0.00 60.65 58.73 2pnl s ILE 564 Cb -0.17 -1.59 0.20 0.00 -0.00 0.00 0.00 42.46 40.90 2pnl s ILE 564 CO -0.09 -0.42 0.77 -2.65 -0.00 0.00 0.00 174.94 172.55 2pnl n PRO 565 N 0.46 -1.64 -0.38 0.37 -0.02 -1.26 -0.51 135.00 132.02 2pnl n PRO 565 Ca -0.15 -0.44 0.05 0.00 -2.02 0.00 0.00 63.50 60.94 2pnl n PRO 565 Cb 0.57 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 2pnl n PRO 565 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnl n GLY 566 N 1.12 -1.65 3.37 -1.23 0.00 0.48 -4.53 105.19 102.75 2pnl n GLY 566 Ca 0.05 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.63 3.41 -0.31 1.61 2.02 -1.26 -3.10 118.70 119.44 2pnl s GLU 567 Ca 0.00 -0.66 0.19 0.00 0.02 0.00 0.00 54.97 54.52 2pnl s GLU 567 Cb 0.00 -2.74 0.47 0.00 0.10 0.00 0.00 34.13 31.96 2pnl s GLU 567 CO 0.00 0.13 1.02 0.66 0.02 0.00 0.00 175.26 177.09 2pnl n TYR 568 N 3.80 0.93 -0.29 1.61 4.01 -1.26 -4.97 117.16 120.99 2pnl n TYR 568 Ca -0.18 -2.57 0.13 0.00 -0.16 0.00 0.00 57.90 55.11 2pnl n TYR 568 Cb 0.52 -0.21 0.37 0.00 -0.31 0.00 0.00 39.34 39.72 2pnl n TYR 568 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2pnl h PRO 569 N 2.82 0.68 0.00 -0.72 0.11 -1.96 0.87 132.00 133.80 2pnl h PRO 569 Ca -0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2pnl h PRO 569 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pnl h PRO 569 CO 0.38 0.45 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 2pnl n GLU 570 N -4.60 0.22 0.01 1.05 4.71 -1.26 -0.15 120.64 120.63 2pnl n GLU 570 Ca 0.19 0.12 0.11 0.00 -0.01 0.00 0.00 57.16 57.57 2pnl n GLU 570 Cb 0.51 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.39 2pnl n GLU 570 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2pnl n LEU 571 N -1.18 0.61 -4.55 -4.62 4.77 0.30 -4.91 117.00 107.41 2pnl n LEU 571 Ca 0.06 -0.16 -0.35 0.00 -0.03 0.00 0.00 56.01 55.54 2pnl n LEU 571 Cb 0.06 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 2pnl n LEU 571 CO 0.07 0.10 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.18 2pnl s LEU 572 N -3.73 3.57 0.59 2.23 1.43 0.79 -4.45 118.68 119.11 2pnl s LEU 572 Ca 0.03 -0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 2pnl s LEU 572 Cb 0.15 -1.90 -0.13 0.00 0.03 0.00 0.00 46.19 44.34 2pnl s LEU 572 CO 0.84 0.12 -0.02 -0.67 0.23 0.00 0.00 176.35 176.85 2pnl n ASP 573 N 3.85 -3.21 -0.26 2.29 2.03 -1.26 -4.68 116.55 115.31 2pnl n ASP 573 Ca -0.17 0.61 -0.01 0.00 0.52 0.00 0.00 54.79 55.74 2pnl n ASP 573 Cb 0.52 -0.94 0.10 0.00 -0.72 0.00 0.00 41.12 40.09 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 -0.11 0.99 -0.02 -1.67 0.00 -1.92 -1.01 119.26 115.51 2pnl h ALA 574 Ca -0.43 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2pnl h ALA 574 Cb 1.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pnl h ALA 574 CO 0.41 0.17 0.08 -0.91 0.00 0.00 0.00 179.25 178.99 2pnl h ASN 575 N 0.82 0.00 0.33 0.00 4.21 -1.89 -0.42 115.58 118.63 2pnl h ASN 575 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 2pnl h ASN 575 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2pnl h ASN 575 CO -0.16 0.00 -0.35 0.00 -1.29 0.00 0.00 177.43 175.63 2pnl n GLN 576 N -3.22 0.53 -1.93 0.81 6.02 -0.39 -3.20 117.38 116.00 2pnl n GLN 576 Ca -0.02 -0.31 -0.42 0.00 -0.01 0.00 0.00 57.00 56.23 2pnl n GLN 576 Cb 0.15 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.96 3.03 -4.11 -1.09 6.02 -0.17 -3.49 117.38 116.60 2pnl n GLN 577 Ca 0.10 -2.84 -0.17 0.00 -0.01 0.00 0.00 57.00 54.08 2pnl n GLN 577 Cb 0.34 -3.24 -0.15 0.00 1.02 0.00 0.00 30.24 28.21 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 2.74 0.38 0.10 5.09 1.01 -1.26 -5.00 120.40 123.47 2pnl s VAL 578 Ca 0.46 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 2pnl s VAL 578 Cb 0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 36.06 2pnl s VAL 578 CO -0.06 0.14 0.69 -0.22 0.00 0.00 0.00 175.10 175.66 2pnl s LEU 579 N 0.35 4.53 0.08 3.92 2.96 -1.26 -2.12 118.68 127.14 2pnl s LEU 579 Ca -0.04 1.45 0.09 0.00 -0.22 0.00 0.00 54.13 55.41 2pnl s LEU 579 Cb -0.07 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 2pnl s LEU 579 CO -0.00 0.18 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.53 2pnl s SER 580 N -0.84 2.87 0.11 3.68 0.01 -1.06 -4.98 113.70 113.49 2pnl s SER 580 Ca 0.34 -0.64 0.05 0.00 1.31 0.00 0.00 55.95 57.01 2pnl s SER 580 Cb -0.21 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 2pnl s SER 580 CO 0.23 0.16 -0.01 -1.00 0.41 0.00 0.00 173.24 173.03 2pnl s HIS 581 N -0.95 2.94 1.04 2.43 3.76 -1.26 -1.01 115.29 122.24 2pnl s HIS 581 Ca 0.10 -0.06 -0.15 0.00 -0.15 0.00 0.00 55.06 54.80 2pnl s HIS 581 Cb -0.10 -1.50 0.21 0.00 1.11 0.00 0.00 32.58 32.30 2pnl s HIS 581 CO 0.04 0.48 1.14 -0.06 -0.85 0.00 0.00 174.74 175.48 2pnl s PHE 582 N -1.36 1.64 0.31 1.40 0.40 -0.41 0.16 117.98 120.12 2pnl s PHE 582 Ca 0.26 0.70 -0.24 0.00 -0.60 0.00 0.00 56.93 57.04 2pnl s PHE 582 Cb -0.11 -3.47 -0.16 0.00 0.51 0.00 0.00 43.02 39.78 2pnl s PHE 582 CO 0.18 -3.03 0.28 0.00 0.70 0.00 0.00 175.22 173.34 2pnl n ALA 583 N -4.20 -2.95 -0.83 5.36 0.00 0.27 -4.62 120.51 113.55 2pnl n ALA 583 Ca 0.09 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2pnl n ALA 583 Cb 0.59 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 2.19 0.00 -1.88 0.00 4.13 -1.26 -3.12 115.26 115.32 2pnl n ASN 584 Ca 0.14 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.42 2pnl n ASN 584 Cb 0.33 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.60 2pnl n ASN 584 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2pnl n ASP 585 N 10.42 0.83 -0.34 6.41 2.03 -1.26 -4.95 116.55 129.68 2pnl n ASP 585 Ca 0.00 -2.02 0.06 0.00 0.52 0.00 0.00 54.79 53.35 2pnl n ASP 585 Cb 0.00 -0.24 0.02 0.00 -0.72 0.00 0.00 41.12 40.18 2pnl n ASP 585 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pnl n THR 586 N 0.04 0.00 0.00 5.18 -2.24 -1.18 -4.97 114.28 111.11 2pnl n THR 586 Ca 0.02 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2pnl n THR 586 Cb 0.99 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.40 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 0.84 0.93 3.64 3.38 0.00 -1.26 -0.95 105.19 111.78 2pnl n GLY 587 Ca 0.06 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.41 -0.16 1.61 0.01 -1.26 -1.29 113.70 112.19 2pnl s SER 588 Ca 0.00 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 2pnl s SER 588 Cb 0.00 0.67 0.08 0.00 0.21 0.00 0.00 66.02 66.97 2pnl s SER 588 CO 0.00 -1.16 0.20 -0.69 0.41 0.00 0.00 173.24 172.00 2pnl s VAL 589 N -3.84 -0.30 0.27 3.43 1.01 -0.18 -0.60 120.40 120.19 2pnl s VAL 589 Ca 0.06 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 2pnl s VAL 589 Cb -0.04 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.69 2pnl s VAL 589 CO -0.03 -0.09 1.32 0.26 0.00 0.00 0.00 175.10 176.56 2pnl s TRP 590 N 2.31 3.14 0.00 5.22 0.52 -0.81 -2.56 118.94 126.77 2pnl s TRP 590 Ca 0.05 1.30 0.00 0.00 0.02 0.00 0.00 56.10 57.47 2pnl s TRP 590 Cb -0.14 -3.66 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 2pnl s TRP 590 CO -0.10 -1.94 0.00 0.41 0.02 0.00 0.00 176.95 175.34 2pnl n GLY 591 N 1.60 3.29 3.75 0.98 0.00 -0.90 -1.21 105.19 112.69 2pnl n GLY 591 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.84 4.98 0.10 -0.61 -1.09 -1.21 0.13 121.20 120.66 2pnl s ILE 592 Ca 0.00 1.26 -0.08 0.00 -2.23 0.00 0.00 60.65 59.59 2pnl s ILE 592 Cb 0.00 -3.94 -0.21 0.00 -1.58 0.00 0.00 42.46 36.73 2pnl s ILE 592 CO 0.00 0.37 1.25 1.23 -1.23 0.00 0.00 174.94 176.55 2pnl h GLY 593 N 6.05 0.57 -2.67 6.18 0.00 0.12 -3.36 103.07 109.96 2pnl h GLY 593 Ca -0.44 -1.03 -0.51 0.00 0.00 0.00 0.00 47.33 45.35 2pnl h GLY 593 CO 0.72 0.91 -0.52 -0.54 0.00 0.00 0.00 176.54 177.11 2pnl s GLU 594 N -3.23 2.71 1.10 4.80 0.41 -1.26 -4.98 118.70 118.25 2pnl s GLU 594 Ca -0.07 -1.24 -0.16 0.00 -0.41 0.00 0.00 54.97 53.08 2pnl s GLU 594 Cb 0.08 -2.43 0.24 0.00 -1.78 0.00 0.00 34.13 30.24 2pnl s GLU 594 CO 0.89 0.27 1.12 -0.51 -0.49 0.00 0.00 175.26 176.54 2pnl s ASP 595 N -3.86 1.77 -0.08 -0.19 1.11 -1.26 -4.64 116.67 109.52 2pnl s ASP 595 Ca 0.36 0.79 0.02 0.00 0.18 0.00 0.00 52.55 53.89 2pnl s ASP 595 Cb -0.06 -1.17 0.01 0.00 1.07 0.00 0.00 42.92 42.77 2pnl s ASP 595 CO 0.24 -3.61 -0.13 0.27 1.18 0.00 0.00 175.17 173.13 2pnl s ILE 596 N -3.08 1.20 -0.58 0.77 -5.25 0.42 -4.89 121.20 109.79 2pnl s ILE 596 Ca 0.69 -0.50 0.15 0.00 -0.99 0.00 0.00 60.65 60.00 2pnl s ILE 596 Cb -0.12 -1.11 0.15 0.00 2.95 0.00 0.00 42.46 44.33 2pnl s ILE 596 CO 0.56 0.37 1.47 -2.65 -1.79 0.00 0.00 174.94 172.90 2pnl n PRO 597 N 3.97 0.09 -4.45 0.37 -0.02 -1.26 -0.56 135.00 133.13 2pnl n PRO 597 Ca -0.21 0.50 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 2pnl n PRO 597 Cb 0.52 -1.76 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 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 -3.28 1.79 0.24 6.00 -0.12 -1.26 -4.68 117.98 116.66 2pnl s PHE 598 Ca 0.01 -1.19 -0.30 0.00 -0.05 0.00 0.00 56.93 55.40 2pnl s PHE 598 Cb 0.06 -1.13 -0.09 0.00 -0.63 0.00 0.00 43.02 41.23 2pnl s PHE 598 CO 0.19 -0.24 1.01 -1.21 -0.05 0.00 0.00 175.22 174.93 2pnl s GLU 599 N -3.81 4.75 0.00 1.99 2.02 -1.26 -1.54 118.70 120.84 2pnl s GLU 599 Ca 0.30 1.62 0.00 0.00 0.02 0.00 0.00 54.97 56.91 2pnl s GLU 599 Cb 0.05 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 31.03 2pnl s GLU 599 CO 0.15 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.19 2pnl n GLY 600 N 1.50 0.69 2.21 -1.39 0.00 -1.26 -4.97 105.19 101.97 2pnl n GLY 600 Ca -0.01 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.21 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 4.22 -3.25 1.61 5.75 -1.24 -4.96 116.55 118.68 2pnl n ASP 601 Ca 0.00 -3.39 -0.16 0.00 -0.01 0.00 0.00 54.79 51.23 2pnl n ASP 601 Cb 0.00 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 39.73 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 -0.68 -6.75 -4.33 -1.12 5.03 -0.13 -5.04 115.26 102.24 2pnl n ASN 602 Ca 0.36 -0.10 -0.18 0.00 0.87 0.00 0.00 54.58 55.54 2pnl n ASN 602 Cb 0.92 -3.81 -0.10 0.00 -1.02 0.00 0.00 39.78 35.78 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 -3.02 0.62 -0.01 0.00 2.02 0.23 -0.39 117.35 116.79 2pnl s TYR 605 Ca 0.22 -0.94 -0.00 0.00 -0.37 0.00 0.00 57.07 55.98 2pnl s TYR 605 Cb -0.00 -0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.51 2pnl s TYR 605 CO 0.06 -0.87 0.03 0.99 -1.57 0.00 0.00 175.55 174.19 2pnl s THR 606 N -4.06 -0.03 -0.36 -0.71 2.01 0.34 -1.92 115.64 110.90 2pnl s THR 606 Ca 0.28 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.26 2pnl s THR 606 Cb 0.02 -0.06 0.00 0.00 0.01 0.00 0.00 72.50 72.47 2pnl s THR 606 CO 0.10 0.04 0.24 0.00 -0.69 0.00 0.00 174.62 174.31 2pnl s ALA 607 N 0.55 3.44 -0.12 7.40 0.00 -0.35 -1.87 121.76 130.82 2pnl s ALA 607 Ca -0.05 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2pnl s ALA 607 Cb -0.06 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 2pnl s ALA 607 CO -0.02 -1.16 -0.18 -0.51 0.00 0.00 0.00 175.76 173.90 2pnl s LEU 608 N 1.68 2.44 -0.43 0.00 1.43 0.14 -4.71 118.68 119.23 2pnl s LEU 608 Ca 0.05 -0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 52.41 2pnl s LEU 608 Cb -0.18 -1.52 -0.10 0.00 0.03 0.00 0.00 46.19 44.42 2pnl s LEU 608 CO 0.09 0.16 2.32 -2.65 0.23 0.00 0.00 176.35 176.50 2pnl n PRO 609 N 3.53 1.14 -3.04 1.29 -0.02 -1.26 -1.28 135.00 135.37 2pnl n PRO 609 Ca -0.19 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 2pnl n PRO 609 Cb 0.53 -2.80 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 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 9.10 4.21 0.11 2.45 2.96 -0.24 -2.09 118.68 135.17 2pnl s LEU 610 Ca 1.07 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 2pnl s LEU 610 Cb -0.60 -2.90 -0.20 0.00 0.50 0.00 0.00 46.19 42.99 2pnl s LEU 610 CO 0.40 -0.67 1.25 0.50 -1.32 0.00 0.00 176.35 176.50 2pnl h LYS 611 N 8.49 0.12 -1.48 1.98 3.64 -0.43 -3.40 116.57 125.50 2pnl h LYS 611 Ca -0.25 -0.19 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 2pnl h LYS 611 Cb 1.10 0.07 -0.28 0.00 -0.41 0.00 0.00 32.23 32.71 2pnl h LYS 611 CO 0.88 1.06 0.46 -2.00 -2.27 0.00 0.00 179.45 177.58 2pnl s GLU 612 N -2.77 0.35 -0.14 1.90 2.12 -0.93 -4.97 118.70 114.27 2pnl s GLU 612 Ca -0.01 0.56 -0.07 0.00 0.36 0.00 0.00 54.97 55.81 2pnl s GLU 612 Cb 0.09 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 2pnl s GLU 612 CO 0.84 -0.07 0.10 0.96 -0.54 0.00 0.00 175.26 176.55 2pnl s ILE 613 N 1.05 5.13 0.15 -3.70 -5.25 -1.26 0.14 121.20 117.45 2pnl s ILE 613 Ca -0.06 0.07 0.04 0.00 -0.99 0.00 0.00 60.65 59.72 2pnl s ILE 613 Cb -0.04 -3.25 -0.04 0.00 2.95 0.00 0.00 42.46 42.08 2pnl s ILE 613 CO -0.13 0.56 0.15 -0.54 -1.79 0.00 0.00 174.94 173.19 2pnl s LYS 614 N -0.50 2.98 0.17 0.37 -0.14 -0.35 -5.00 119.74 117.28 2pnl s LYS 614 Ca 0.11 -0.79 -0.04 0.00 -1.36 0.00 0.00 55.97 53.89 2pnl s LYS 614 Cb -0.12 -2.71 0.31 0.00 -1.68 0.00 0.00 37.83 33.63 2pnl s LYS 614 CO 0.02 0.51 0.96 -2.13 -0.76 0.00 0.00 175.35 173.95 2pnl n ARG 615 N -0.22 -0.05 0.00 1.68 0.63 -1.26 -0.12 116.66 117.31 2pnl n ARG 615 Ca -0.08 0.96 0.12 0.00 -0.92 0.00 0.00 57.85 57.93 2pnl n ARG 615 Cb 0.54 -1.44 0.66 0.00 0.45 0.00 0.00 32.46 32.67 2pnl n ARG 615 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2pnl n ASN 616 N -4.98 0.00 0.00 6.15 0.23 -1.26 -4.90 115.26 110.50 2pnl n ASN 616 Ca 0.10 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 2pnl n ASN 616 Cb 0.33 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 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 0.69 1.57 3.76 4.83 0.00 0.82 -4.93 105.19 111.94 2pnl n GLY 617 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.63 6.03 -0.22 1.61 -0.87 -1.26 -4.01 114.94 114.59 2pnl s ASN 618 Ca 0.00 2.71 -0.00 0.00 -1.57 0.00 0.00 52.86 54.00 2pnl s ASN 618 Cb 0.00 -2.64 0.02 0.00 -0.02 0.00 0.00 41.25 38.61 2pnl s ASN 618 CO 0.00 -1.05 -0.11 0.27 -2.57 0.00 0.00 177.10 173.64 2pnl s ILE 619 N -1.28 2.57 -0.32 0.60 -4.36 -0.78 -1.21 121.20 116.43 2pnl s ILE 619 Ca 0.61 -1.00 -0.23 0.00 -0.26 0.00 0.00 60.65 59.76 2pnl s ILE 619 Cb -0.39 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.08 2pnl s ILE 619 CO 0.50 0.32 0.79 -0.69 0.24 0.00 0.00 174.94 176.09 2pnl s VAL 620 N 1.30 4.78 0.16 8.37 1.01 0.12 -0.93 120.40 135.22 2pnl s VAL 620 Ca 0.01 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.22 2pnl s VAL 620 Cb -0.15 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2pnl s VAL 620 CO -0.07 -0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 173.96 2pnl s VAL 621 N 2.99 3.26 0.22 2.92 1.01 -0.02 0.32 120.40 131.09 2pnl s VAL 621 Ca 0.32 -1.55 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 2pnl s VAL 621 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 2pnl s VAL 621 CO 0.13 -0.06 0.43 -1.83 0.00 0.00 0.00 175.10 173.78 2pnl s GLU 622 N -2.68 1.42 -0.06 2.72 -1.05 -0.89 -1.11 118.70 117.04 2pnl s GLU 622 Ca 0.24 -1.18 -0.04 0.00 -0.15 0.00 0.00 54.97 53.84 2pnl s GLU 622 Cb -0.09 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 2pnl s GLU 622 CO 0.15 -0.58 0.13 0.15 0.95 0.00 0.00 175.26 176.06 2pnl s LYS 623 N -3.99 3.32 0.08 -4.83 1.02 0.18 -4.27 119.74 111.25 2pnl s LYS 623 Ca 0.19 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 55.95 2pnl s LYS 623 Cb 0.00 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2pnl s LYS 623 CO 0.05 0.72 -0.11 0.96 -0.92 0.00 0.00 175.35 176.05 2pnl s ILE 624 N -1.12 0.94 -0.86 2.17 -4.36 -1.26 -1.09 121.20 115.61 2pnl s ILE 624 Ca 0.20 -1.41 -0.19 0.00 -0.26 0.00 0.00 60.65 58.99 2pnl s ILE 624 Cb -0.12 -1.11 0.12 0.00 1.25 0.00 0.00 42.46 42.60 2pnl s ILE 624 CO 0.10 -0.40 1.06 0.12 0.24 0.00 0.00 174.94 176.06 2pnl s PHE 625 N -1.79 3.08 0.23 1.37 5.36 -1.26 -4.64 117.98 120.33 2pnl s PHE 625 Ca -0.00 -1.27 -0.23 0.00 -0.96 0.00 0.00 56.93 54.47 2pnl s PHE 625 Cb -0.07 -4.25 0.04 0.00 -0.34 0.00 0.00 43.02 38.40 2pnl s PHE 625 CO 0.01 -1.48 0.81 0.00 -1.46 0.00 0.00 175.22 173.10 2pnl s ALA 626 N 2.76 -1.39 1.08 11.12 0.00 -1.26 -5.11 121.76 128.96 2pnl s ALA 626 Ca 0.29 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 2pnl s ALA 626 Cb -0.08 0.77 0.13 0.00 0.00 0.00 0.00 23.12 23.94 2pnl s ALA 626 CO -0.06 -1.04 0.52 0.41 0.00 0.00 0.00 175.76 175.59 2pnl n GLY 627 N -0.46 -2.25 3.89 0.00 0.00 -1.26 -4.09 105.19 101.02 2pnl n GLY 627 Ca -0.05 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -4.16 1.07 0.98 1.61 0.05 -1.19 -4.61 135.00 128.76 2pnl s PRO 628 Ca 0.32 -0.15 -0.15 0.00 0.05 0.00 0.00 61.00 61.07 2pnl s PRO 628 Cb -0.02 -1.87 0.19 0.00 0.05 0.00 0.00 34.50 32.84 2pnl s PRO 628 CO 0.24 -2.16 1.20 0.42 0.05 0.00 0.00 177.00 176.75 2pnl s ILE 629 N -3.68 1.91 0.00 0.56 1.01 0.36 -4.63 121.20 116.72 2pnl s ILE 629 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.34 2pnl s ILE 629 Cb -0.08 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.58 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 -2.63 -2.21 0.45 6.18 0.00 -1.26 0.16 105.19 105.88 2pnl n GLY 631 Ca 0.11 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.19 1.15 0.00 1.61 -0.04 -1.26 -4.66 135.00 131.61 2pnl n PRO 632 Ca 0.00 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.55 2pnl n PRO 632 Cb 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 2pnl n PRO 632 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pnl n SER 633 N -0.13 0.00 -0.17 3.54 3.41 -1.26 -2.52 113.62 116.49 2pnl n SER 633 Ca 0.10 0.43 0.03 0.00 -0.26 0.00 0.00 58.87 59.17 2pnl n SER 633 Cb 0.45 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2pnl n SER 633 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pnl n ALA 634 N -1.42 2.60 -0.27 7.33 0.00 -1.26 -1.01 120.51 126.48 2pnl n ALA 634 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 2pnl n ALA 634 Cb 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 19.45 19.32 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 0.83 1.16 0.15 0.00 4.20 -1.49 -1.10 115.11 118.85 2pnl h GLN 635 Ca 0.00 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.48 2pnl h GLN 635 Cb 0.23 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2pnl h GLN 635 CO 0.00 0.98 -0.43 1.25 -0.67 0.00 0.00 178.83 179.96 2pnl h LEU 636 N 1.11 -1.27 -0.31 1.46 5.85 -0.44 -0.79 115.31 120.92 2pnl h LEU 636 Ca 0.24 0.14 0.04 0.00 0.84 0.00 0.00 57.88 59.14 2pnl h LEU 636 Cb 0.30 0.47 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 2pnl h LEU 636 CO -0.01 -0.50 -0.54 1.23 -0.34 0.00 0.00 178.44 178.27 2pnl h GLY 637 N -0.68 -1.00 -0.03 3.75 0.00 -1.66 -2.32 103.07 101.12 2pnl h GLY 637 Ca 0.01 0.69 0.22 0.00 0.00 0.00 0.00 47.33 48.25 2pnl h GLY 637 CO -0.23 -0.15 0.57 1.41 0.00 0.00 0.00 176.54 178.13 2pnl h LEU 638 N -0.46 0.67 -1.07 3.11 -0.00 -1.11 0.26 115.31 116.71 2pnl h LEU 638 Ca 0.06 0.12 -0.09 0.00 -0.00 0.00 0.00 57.88 57.97 2pnl h LEU 638 Cb 0.63 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 2pnl h LEU 638 CO -0.54 0.16 -0.45 -1.28 -0.00 0.00 0.00 178.44 176.33 2pnl h SER 639 N 0.63 0.00 0.08 -0.43 0.87 -0.59 -2.82 113.55 111.28 2pnl h SER 639 Ca 0.60 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.94 2pnl h SER 639 Cb 1.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 2pnl h SER 639 CO -0.44 0.45 -1.13 -0.07 -0.53 0.00 0.00 176.83 175.11 2pnl h LEU 640 N 0.00 0.27 -1.58 2.23 3.38 -0.98 -2.78 115.31 115.84 2pnl h LEU 640 Ca -0.00 -0.83 0.22 0.00 0.09 0.00 0.00 57.88 57.36 2pnl h LEU 640 Cb 0.83 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2pnl h LEU 640 CO 0.06 1.49 0.82 0.25 0.09 0.00 0.00 178.44 181.15 2pnl h LEU 641 N -0.52 0.00 -0.30 1.67 5.85 -0.50 0.83 115.31 122.34 2pnl h LEU 641 Ca -0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2pnl h LEU 641 Cb 1.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.60 2pnl h LEU 641 CO 0.01 0.00 0.00 1.33 -0.34 0.00 0.00 178.44 179.44 2pnl n VAL 642 N -3.52 0.00 -0.01 1.05 0.24 -1.07 -4.62 118.33 110.40 2pnl n VAL 642 Ca 0.16 -0.45 -0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2pnl n VAL 642 Cb 1.07 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 34.46 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 -0.61 4.61 0.04 -1.34 5.03 -0.99 -4.60 115.26 117.39 2pnl n ASN 643 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2pnl n ASN 643 Cb 0.01 0.65 0.00 0.00 -1.02 0.00 0.00 39.78 39.42 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 -1.96 0.24 -4.70 6.41 8.00 0.12 -5.03 116.55 119.63 2pnl n ASP 644 Ca -0.02 0.14 -0.34 0.00 0.71 0.00 0.00 54.79 55.27 2pnl n ASP 644 Cb 0.45 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.66 2pnl n ASP 644 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2pnl n ILE 645 N -3.10 2.77 0.00 0.53 5.41 -0.25 -4.95 119.36 119.77 2pnl n ILE 645 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.47 2pnl n ILE 645 Cb 0.15 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 2pnl n ILE 645 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2pnl n GLU 646 N -2.95 0.00 -4.74 0.38 1.02 -1.26 -4.76 120.64 108.34 2pnl n GLU 646 Ca 0.14 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.04 2pnl n GLU 646 Cb 0.50 -0.19 -0.16 0.00 -0.02 0.00 0.00 31.44 31.57 2pnl n GLU 646 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pnl s ASP 647 N -1.73 1.92 0.26 1.62 1.11 -1.26 -4.66 116.67 113.93 2pnl s ASP 647 Ca 0.00 -0.31 0.00 0.00 0.18 0.00 0.00 52.55 52.42 2pnl s ASP 647 Cb 0.00 -0.45 0.00 0.00 1.07 0.00 0.00 42.92 43.54 2pnl s ASP 647 CO 0.00 0.15 0.00 0.61 1.18 0.00 0.00 175.17 177.11 2pnl n GLY 648 N 3.05 -1.82 3.41 0.21 0.00 -0.29 -4.74 105.19 105.00 2pnl n GLY 648 Ca -0.17 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.04 4.82 0.03 1.61 1.01 -1.26 -3.28 120.40 121.31 2pnl s VAL 649 Ca 0.00 -0.79 -0.38 0.00 0.00 0.00 0.00 61.98 60.81 2pnl s VAL 649 Cb 0.00 -3.69 -0.18 0.00 0.00 0.00 0.00 36.38 32.51 2pnl s VAL 649 CO 0.00 -0.26 1.24 -2.65 0.00 0.00 0.00 175.10 173.43 2pnl n PRO 650 N 5.06 0.65 -2.76 2.72 -0.02 -1.25 -5.03 135.00 134.36 2pnl n PRO 650 Ca -0.11 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.17 2pnl n PRO 650 Cb 0.46 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.37 3.94 -0.23 -0.52 3.00 -1.26 -4.74 118.95 119.51 2pnl s ARG 651 Ca 0.88 -2.10 -0.04 0.00 0.00 0.00 0.00 55.73 54.47 2pnl s ARG 651 Cb -1.10 -5.27 0.08 0.00 0.00 0.00 0.00 34.95 28.66 2pnl s ARG 651 CO 0.52 -2.01 0.09 0.08 0.00 0.00 0.00 175.30 173.98 2pnl s VAL 653 N 3.13 0.19 -0.36 3.52 1.01 0.30 -4.36 120.40 123.84 2pnl s VAL 653 Ca 0.46 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2pnl s VAL 653 Cb -0.00 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2pnl s VAL 653 CO 0.01 -0.45 0.84 -0.36 0.00 0.00 0.00 175.10 175.14 2pnl s PHE 654 N 1.99 3.11 0.01 5.22 0.08 -0.57 -0.37 117.98 127.45 2pnl s PHE 654 Ca 0.04 0.68 0.05 0.00 0.12 0.00 0.00 56.93 57.82 2pnl s PHE 654 Cb -0.16 -3.46 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 2pnl s PHE 654 CO -0.19 -0.74 -0.11 -0.08 -0.10 0.00 0.00 175.22 173.99 2pnl s THR 655 N 3.22 3.29 0.00 0.64 -1.32 -0.20 -4.18 115.64 117.08 2pnl s THR 655 Ca 0.34 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 2pnl s THR 655 Cb -0.13 -2.40 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 2pnl s THR 655 CO 0.17 0.40 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 2pnl n GLY 656 N 1.65 4.24 3.85 6.08 0.00 -0.18 -4.37 105.19 116.46 2pnl n GLY 656 Ca -0.16 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.03 3.93 -0.27 1.61 2.12 -0.50 0.21 118.70 122.76 2pnl s GLU 657 Ca 0.00 0.41 -0.13 0.00 0.36 0.00 0.00 54.97 55.61 2pnl s GLU 657 Cb 0.00 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2pnl s GLU 657 CO 0.00 0.50 0.30 0.42 -0.54 0.00 0.00 175.26 175.95 2pnl s ILE 658 N -1.44 5.23 0.99 -3.70 -1.09 -1.26 0.15 121.20 120.08 2pnl s ILE 658 Ca 0.36 0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 59.09 2pnl s ILE 658 Cb -0.15 -3.63 0.19 0.00 -1.58 0.00 0.00 42.46 37.28 2pnl s ILE 658 CO 0.19 0.20 1.08 0.00 -1.23 0.00 0.00 174.94 175.18 2pnl s ALA 659 N 1.92 0.82 0.32 9.38 0.00 -0.52 -4.84 121.76 128.84 2pnl s ALA 659 Ca 0.12 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.29 2pnl s ALA 659 Cb -0.16 -3.29 0.93 0.00 0.00 0.00 0.00 23.12 20.60 2pnl s ALA 659 CO 0.10 -2.99 1.69 -0.44 0.00 0.00 0.00 175.76 174.12 2pnl h ASP 660 N -2.02 0.50 0.33 0.00 3.45 -1.98 0.11 116.42 116.81 2pnl h ASP 660 Ca -0.52 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.11 2pnl h ASP 660 Cb 1.30 0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.18 2pnl h ASP 660 CO 0.49 -0.03 0.00 -0.90 -1.57 0.00 0.00 179.24 177.23 2pnl n ASP 661 N -5.00 0.00 -0.54 6.45 5.68 -1.26 -4.86 116.55 117.02 2pnl n ASP 661 Ca 0.28 0.28 -0.07 0.00 -0.50 0.00 0.00 54.79 54.78 2pnl n ASP 661 Cb 0.82 -0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.39 2pnl n ASP 661 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pnl n GLU 662 N -1.38 -0.47 0.00 0.11 1.02 0.37 -4.76 120.64 115.54 2pnl n GLU 662 Ca 0.05 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2pnl n GLU 662 Cb 0.12 -4.46 0.00 0.00 -0.02 0.00 0.00 31.44 27.08 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 -2.64 0.00 -1.75 3.49 1.02 -1.26 -4.90 120.64 114.60 2pnl n GLU 663 Ca -0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 2pnl n GLU 663 Cb 0.26 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.67 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 -2.51 1.29 -3.79 2.62 -1.04 -1.26 -1.47 114.28 108.12 2pnl n THR 664 Ca 0.00 -0.32 -0.36 0.00 -2.04 0.00 0.00 64.05 61.33 2pnl n THR 664 Cb 0.00 -1.94 -0.13 0.00 -1.82 0.00 0.00 70.33 66.44 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 -0.31 4.11 -0.22 12.58 1.01 -1.19 -1.44 121.20 135.74 2pnl s ILE 665 Ca 0.61 -0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.84 2pnl s ILE 665 Cb -0.50 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2pnl s ILE 665 CO 0.53 0.36 0.51 -0.63 0.00 0.00 0.00 174.94 175.71 2pnl s ILE 666 N 1.58 5.10 1.02 2.92 1.01 0.12 -4.86 121.20 128.09 2pnl s ILE 666 Ca 0.06 0.93 -0.15 0.00 0.00 0.00 0.00 60.65 61.49 2pnl s ILE 666 Cb -0.15 -3.84 0.08 0.00 0.01 0.00 0.00 42.46 38.56 2pnl s ILE 666 CO 0.02 0.15 0.33 -2.65 0.00 0.00 0.00 174.94 172.79 2pnl n PRO 667 N 5.01 -0.84 -4.64 2.79 -0.02 -1.26 -1.41 135.00 134.63 2pnl n PRO 667 Ca -0.05 -0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 60.93 2pnl n PRO 667 Cb 0.50 -1.84 -0.09 0.00 -0.02 0.00 0.00 33.50 32.05 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 -2.35 1.46 0.14 4.25 -5.25 -1.26 -4.62 121.20 113.57 2pnl s ILE 668 Ca 0.57 -2.00 -0.10 0.00 -0.99 0.00 0.00 60.65 58.14 2pnl s ILE 668 Cb -0.18 -2.60 -0.06 0.00 2.95 0.00 0.00 42.46 42.57 2pnl s ILE 668 CO 0.66 0.00 0.47 0.00 -1.79 0.00 0.00 174.94 174.28 2pnl n GLY 670 N 0.47 -0.19 0.37 0.00 0.00 -1.26 -4.95 105.19 99.63 2pnl n GLY 670 Ca -0.04 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.00 2pnl n GLY 670 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2pnl h VAL 671 N -1.78 1.14 0.00 1.61 -1.51 -1.93 -2.38 116.25 111.39 2pnl h VAL 671 Ca -0.45 -0.38 -0.04 0.00 -1.23 0.00 0.00 66.70 64.61 2pnl h VAL 671 Cb 1.27 -0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 2pnl h VAL 671 CO 0.41 0.20 -0.18 0.44 -1.23 0.00 0.00 177.57 177.21 2pnl h ASP 672 N 1.11 0.00 0.25 4.19 3.32 -1.92 0.12 116.42 123.49 2pnl h ASP 672 Ca 0.36 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 57.07 2pnl h ASP 672 Cb 0.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.63 2pnl h ASP 672 CO -0.11 0.18 -1.61 0.40 -1.72 0.00 0.00 179.24 176.38 2pnl h ILE 673 N 0.00 1.11 0.00 0.35 1.08 -1.86 -2.95 117.51 115.25 2pnl h ILE 673 Ca -0.00 -2.63 -0.11 0.00 -0.39 0.00 0.00 64.86 61.73 2pnl h ILE 673 Cb 0.43 2.89 -0.02 0.00 -3.07 0.00 0.00 36.82 37.05 2pnl h ILE 673 CO 0.02 0.84 -0.51 0.00 -0.69 0.00 0.00 178.15 177.81 2pnl h ALA 674 N 0.17 1.07 0.20 1.87 0.00 -0.93 -2.61 119.26 119.03 2pnl h ALA 674 Ca -0.30 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 2pnl h ALA 674 Cb 2.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2pnl h ALA 674 CO 0.22 0.64 -0.10 0.00 0.00 0.00 0.00 179.25 180.02 2pnl h ALA 675 N 1.49 -0.91 -0.77 0.00 0.00 -0.84 -1.40 119.26 116.83 2pnl h ALA 675 Ca -0.01 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2pnl h ALA 675 Cb 0.96 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 2pnl h ALA 675 CO 0.07 -0.89 -0.38 -0.89 0.00 0.00 0.00 179.25 177.16 2pnl n ILE 676 N -2.82 -0.47 -0.14 0.00 5.41 -1.11 0.08 119.36 120.31 2pnl n ILE 676 Ca -0.03 1.84 -0.10 0.00 1.00 0.00 0.00 62.75 65.46 2pnl n ILE 676 Cb 0.11 -2.35 -0.07 0.00 -0.71 0.00 0.00 39.64 36.62 2pnl n ILE 676 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pnl h ALA 677 N 0.71 -0.61 -0.73 -1.39 0.00 -1.53 0.18 119.26 115.89 2pnl h ALA 677 Ca 0.19 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.26 2pnl h ALA 677 Cb 0.39 1.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 2pnl h ALA 677 CO -0.75 -0.82 0.28 0.00 0.00 0.00 0.00 179.25 177.96 2pnl h ALA 678 N -0.31 1.01 0.00 0.00 0.00 0.81 -2.47 119.26 118.31 2pnl h ALA 678 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pnl h ALA 678 Cb 0.41 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2pnl h ALA 678 CO -0.48 -0.23 -0.07 0.45 0.00 0.00 0.00 179.25 178.93 2pnl h HIS 679 N 0.41 0.00 0.00 0.00 3.86 -0.29 -1.65 115.15 117.48 2pnl h HIS 679 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2pnl h HIS 679 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2pnl h HIS 679 CO -0.18 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.00 2pnl n GLU 680 N -2.46 0.96 -0.42 2.45 1.02 -0.00 -3.36 120.64 118.82 2pnl n GLU 680 Ca 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.22 2pnl n GLU 680 Cb 0.46 -1.01 0.05 0.00 -0.02 0.00 0.00 31.44 30.91 2pnl n GLU 680 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2pnl n GLN 681 N -0.51 0.43 -1.58 3.49 6.02 -0.70 -5.00 117.38 119.53 2pnl n GLN 681 Ca 0.01 -1.60 -0.19 0.00 -0.01 0.00 0.00 57.00 55.21 2pnl n GLN 681 Cb 0.00 -0.81 -0.08 0.00 1.02 0.00 0.00 30.24 30.38 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 -0.44 1.74 3.77 1.08 0.00 -1.21 -4.98 105.19 105.15 2pnl n GLY 682 Ca 0.06 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.34 3.83 0.14 0.99 1.43 -0.74 -5.01 118.68 114.99 2pnl s LEU 683 Ca 0.00 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.00 2pnl s LEU 683 Cb 0.00 -2.30 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 2pnl s LEU 683 CO 0.00 0.25 0.62 -2.16 0.23 0.00 0.00 176.35 175.29 2pnl s PRO 684 N -1.89 4.17 -0.20 1.29 0.04 -1.26 -3.70 135.00 133.45 2pnl s PRO 684 Ca 0.24 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 2pnl s PRO 684 Cb -0.12 -3.04 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 2pnl s PRO 684 CO 0.16 0.51 0.96 -1.17 0.04 0.00 0.00 177.00 177.50 2pnl s LEU 685 N -1.63 4.13 -0.25 -3.56 2.96 -1.26 -0.54 118.68 118.53 2pnl s LEU 685 Ca 0.36 1.31 -0.04 0.00 -0.22 0.00 0.00 54.13 55.54 2pnl s LEU 685 Cb -0.18 -3.43 0.01 0.00 0.50 0.00 0.00 46.19 43.09 2pnl s LEU 685 CO 0.20 -0.56 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.04 2pnl s ILE 686 N 2.77 3.46 0.00 6.68 -1.09 0.50 0.70 121.20 134.22 2pnl s ILE 686 Ca 0.42 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2pnl s ILE 686 Cb -0.16 -2.70 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2pnl s ILE 686 CO 0.09 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 2pnl n GLY 687 N 4.79 2.51 2.83 6.18 0.00 -1.10 -1.03 105.19 119.37 2pnl n GLY 687 Ca -0.16 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.14 3.99 -3.58 1.61 4.05 -1.26 -0.85 115.26 119.08 2pnl n ASN 688 Ca 0.00 -3.59 -0.06 0.00 0.45 0.00 0.00 54.58 51.38 2pnl n ASN 688 Cb 0.00 -0.57 -0.02 0.00 1.23 0.00 0.00 39.78 40.42 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 -3.32 0.75 0.65 1.20 -2.07 -1.26 -4.46 119.66 111.14 2pnl s GLN 689 Ca 0.48 -0.32 -0.18 0.00 -1.82 0.00 0.00 55.36 53.52 2pnl s GLN 689 Cb 0.29 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 32.51 2pnl s GLN 689 CO -0.13 -0.33 1.25 -2.14 -1.32 0.00 0.00 175.29 172.61 2pnl s PRO 690 N -2.95 2.60 0.00 9.60 0.02 -1.26 -3.27 135.00 139.74 2pnl s PRO 690 Ca 0.08 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2pnl s PRO 690 Cb -0.01 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2pnl s PRO 690 CO -0.06 -1.52 0.00 0.41 -0.33 0.00 0.00 177.00 175.50 2pnl n GLY 691 N 0.67 2.88 3.90 0.52 0.00 -1.26 -4.95 105.19 106.95 2pnl n GLY 691 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2pnl n GLY 691 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnl s VAL 692 N -2.75 4.12 -0.16 1.61 1.01 -1.20 -4.80 120.40 118.23 2pnl s VAL 692 Ca 0.00 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 2pnl s VAL 692 Cb 0.00 -3.63 -0.24 0.00 0.00 0.00 0.00 36.38 32.51 2pnl s VAL 692 CO 0.00 -0.71 0.57 0.44 0.00 0.00 0.00 175.10 175.41 2pnl h ASP 693 N -0.18 0.04 -3.37 3.32 3.32 -0.08 -3.46 116.42 116.01 2pnl h ASP 693 Ca -0.45 -0.82 -0.57 0.00 0.02 0.00 0.00 57.03 55.21 2pnl h ASP 693 Cb 1.23 -0.01 -0.34 0.00 0.22 0.00 0.00 39.33 40.43 2pnl h ASP 693 CO 0.62 1.22 -0.83 -1.61 -1.72 0.00 0.00 179.24 176.91 2pnl s GLU 694 N -2.29 2.12 -0.12 3.56 2.02 -1.02 -5.02 118.70 117.96 2pnl s GLU 694 Ca -0.22 -0.55 -0.11 0.00 0.02 0.00 0.00 54.97 54.10 2pnl s GLU 694 Cb 0.01 -1.71 -0.05 0.00 0.10 0.00 0.00 34.13 32.48 2pnl s GLU 694 CO 0.67 0.05 0.24 -1.21 0.02 0.00 0.00 175.26 175.03 2pnl s GLU 695 N 0.64 3.90 -0.13 1.61 2.02 -1.26 -2.72 118.70 122.76 2pnl s GLU 695 Ca -0.14 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 2pnl s GLU 695 Cb -0.16 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.80 2pnl s GLU 695 CO 0.04 0.53 -0.03 0.14 0.02 0.00 0.00 175.26 175.96 2pnl s VAL 696 N -0.38 0.79 0.42 2.63 -7.23 -0.03 -4.97 120.40 111.64 2pnl s VAL 696 Ca 0.16 -0.31 0.12 0.00 -1.81 0.00 0.00 61.98 60.14 2pnl s VAL 696 Cb -0.13 -0.97 0.18 0.00 0.56 0.00 0.00 36.38 36.02 2pnl s VAL 696 CO 0.05 0.18 1.97 0.03 -0.31 0.00 0.00 175.10 177.02 2pnl h ARG 697 N 8.21 0.10 -3.11 4.82 2.47 -1.95 -3.36 114.38 121.56 2pnl h ARG 697 Ca -0.23 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.43 2pnl h ARG 697 Cb 1.12 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.42 2pnl h ARG 697 CO 0.35 0.26 0.23 0.54 0.56 0.00 0.00 179.97 181.90 2pnl s ASN 698 N -6.95 0.08 0.29 7.04 2.20 -1.26 -3.20 114.94 113.15 2pnl s ASN 698 Ca -0.05 -1.15 0.15 0.00 -0.94 0.00 0.00 52.86 50.88 2pnl s ASN 698 Cb 0.16 0.83 0.24 0.00 -2.00 0.00 0.00 41.25 40.47 2pnl s ASN 698 CO 0.71 -1.64 1.52 0.71 -2.94 0.00 0.00 177.10 175.46 2pnl h THR 699 N 2.01 0.95 -0.12 0.54 1.35 -1.60 -2.13 112.91 113.92 2pnl h THR 699 Ca -0.31 -2.12 0.03 0.00 -0.55 0.00 0.00 66.41 63.46 2pnl h THR 699 Cb 1.25 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.95 2pnl h THR 699 CO 0.40 0.50 -0.04 0.28 -0.25 0.00 0.00 175.52 176.41 2pnl h SER 700 N 0.00 -0.14 -0.51 5.36 0.02 -1.96 0.19 113.55 116.51 2pnl h SER 700 Ca -0.01 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2pnl h SER 700 Cb 1.27 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.87 2pnl h SER 700 CO 0.07 -0.05 0.20 -0.07 -1.14 0.00 0.00 176.83 175.83 2pnl h LEU 701 N -0.02 0.71 -0.95 5.07 3.38 -1.92 0.32 115.31 121.89 2pnl h LEU 701 Ca 0.06 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2pnl h LEU 701 Cb 0.11 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2pnl h LEU 701 CO -0.13 0.69 0.63 0.00 0.09 0.00 0.00 178.44 179.72 2pnl h ALA 702 N 1.04 1.21 0.94 1.53 0.00 -1.25 0.84 119.26 123.58 2pnl h ALA 702 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2pnl h ALA 702 Cb 0.21 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pnl h ALA 702 CO -0.01 0.60 -0.45 0.00 0.00 0.00 0.00 179.25 179.39 2pnl h ALA 703 N 1.35 -1.27 -0.99 0.00 0.00 -0.48 -2.08 119.26 115.79 2pnl h ALA 703 Ca 0.35 -0.28 0.30 0.00 0.00 0.00 0.00 54.91 55.28 2pnl h ALA 703 Cb -0.15 0.49 -0.18 0.00 0.00 0.00 0.00 17.79 17.95 2pnl h ALA 703 CO -0.08 -1.18 0.13 1.25 0.00 0.00 0.00 179.25 179.38 2pnl h HIS 704 N -1.33 0.13 -0.68 0.00 6.17 -0.77 -1.61 115.15 117.05 2pnl h HIS 704 Ca -0.13 0.06 -0.04 0.00 0.71 0.00 0.00 60.37 60.97 2pnl h HIS 704 Cb 0.97 0.11 -0.03 0.00 2.52 0.00 0.00 27.41 30.97 2pnl h HIS 704 CO 0.00 -0.43 0.25 1.25 0.71 0.00 0.00 177.93 179.71 2pnl h LEU 705 N 0.02 0.94 -0.89 0.26 6.46 -0.60 -2.48 115.31 119.02 2pnl h LEU 705 Ca 0.64 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 58.28 2pnl h LEU 705 Cb 1.41 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 41.05 2pnl h LEU 705 CO -0.88 0.85 0.58 0.40 -0.62 0.00 0.00 178.44 178.77 2pnl h ILE 706 N 0.99 1.19 -0.86 4.05 2.04 -0.59 -0.54 117.51 123.78 2pnl h ILE 706 Ca 0.23 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2pnl h ILE 706 Cb 0.23 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 2pnl h ILE 706 CO -0.02 0.21 0.46 1.56 0.00 0.00 0.00 178.15 180.36 2pnl h GLN 707 N 1.16 1.22 0.00 2.37 1.08 -1.13 -3.15 115.11 116.66 2pnl h GLN 707 Ca 0.34 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2pnl h GLN 707 Cb -0.07 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.13 2pnl h GLN 707 CO -0.09 0.91 -1.04 0.25 -0.95 0.00 0.00 178.83 177.90 2pnl n THR 708 N -4.34 0.29 0.00 -0.54 -2.24 -1.06 -4.95 114.28 101.44 2pnl n THR 708 Ca 0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2pnl n THR 708 Cb 0.11 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 2pnl n THR 708 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnl n GLY 709 N 1.31 0.94 3.26 3.38 0.00 -0.23 -4.86 105.19 109.00 2pnl n GLY 709 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2pnl n GLY 709 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pnl s THR 710 N 0.00 1.19 0.12 2.61 -4.23 -1.26 -4.91 115.64 109.16 2pnl s THR 710 Ca 0.00 -2.07 -0.31 0.00 -1.18 0.00 0.00 61.69 58.14 2pnl s THR 710 Cb 0.00 -1.87 -0.07 0.00 1.34 0.00 0.00 72.50 71.90 2pnl s THR 710 CO 0.00 -0.73 1.27 -0.22 -0.54 0.00 0.00 174.62 174.40 2pnl s LEU 711 N -3.18 4.39 0.52 4.79 2.96 -1.26 -4.98 118.68 121.93 2pnl s LEU 711 Ca 0.17 2.21 -0.20 0.00 -0.22 0.00 0.00 54.13 56.09 2pnl s LEU 711 Cb 0.03 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.04 2pnl s LEU 711 CO 0.01 -0.51 0.79 -2.65 -1.32 0.00 0.00 176.35 172.67 2pnl n PRO 712 N 3.45 0.86 -4.42 0.98 -0.02 -1.26 -5.02 135.00 129.58 2pnl n PRO 712 Ca 0.08 0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 2pnl n PRO 712 Cb 0.44 -1.92 -0.11 0.00 -0.02 0.00 0.00 33.50 31.90 2pnl n PRO 712 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2pnl s VAL 713 N -1.51 3.10 -0.09 -1.45 -7.23 -1.26 -5.12 120.40 106.85 2pnl s VAL 713 Ca 0.69 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.66 2pnl s VAL 713 Cb -0.48 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 2pnl s VAL 713 CO 0.53 0.22 -0.13 -1.10 -0.31 0.00 0.00 175.10 174.31 2pnl s GLN 714 N -1.82 2.90 -0.10 4.82 -0.21 -1.26 -5.11 119.66 118.88 2pnl s GLN 714 Ca 0.18 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 54.88 2pnl s GLN 714 Cb -0.11 -2.50 0.02 0.00 1.00 0.00 0.00 33.01 31.42 2pnl s GLN 714 CO 0.09 0.44 -0.10 1.03 -2.12 0.00 0.00 175.29 174.64 2pnl s ARG 715 N -0.25 1.62 0.00 2.91 3.00 -1.26 -5.34 118.95 119.63 2pnl s ARG 715 Ca 0.02 -0.33 0.15 0.00 0.00 0.00 0.00 55.73 55.57 2pnl s ARG 715 Cb -0.13 -1.53 0.12 0.00 0.00 0.00 0.00 34.95 33.41 2pnl s ARG 715 CO 0.03 -0.15 0.99 0.00 0.00 0.00 0.00 175.30 176.16