#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnl s LYS 515 N 0.00 3.67 -0.10 1.61 0.00 -0.17 -4.69 119.74 120.07 2pnl s LYS 515 Ca 0.00 0.11 -0.39 0.00 0.00 0.00 0.00 55.97 55.69 2pnl s LYS 515 Cb 0.00 -3.16 -0.17 0.00 0.00 0.00 0.00 37.83 34.50 2pnl s LYS 515 CO 0.00 0.70 1.47 0.34 0.00 0.00 0.00 175.35 177.86 2pnl n PHE 516 N 1.65 1.62 -3.81 1.78 -0.00 -1.25 -1.58 117.46 115.88 2pnl n PHE 516 Ca -0.15 0.69 -0.29 0.00 -0.00 0.00 0.00 57.45 57.70 2pnl n PHE 516 Cb 0.53 -2.34 -0.16 0.00 -0.00 0.00 0.00 39.48 37.52 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 1.69 3.71 0.35 -2.13 0.15 0.92 -4.82 113.70 113.57 2pnl s SER 517 Ca 0.92 -1.31 0.14 0.00 0.70 0.00 0.00 55.95 56.39 2pnl s SER 517 Cb -1.07 -0.92 0.64 0.00 -1.71 0.00 0.00 66.02 62.96 2pnl s SER 517 CO 0.57 -0.33 1.76 -0.09 1.20 0.00 0.00 173.24 176.35 2pnl h ARG 518 N 8.07 0.00 -0.34 5.44 2.43 -1.93 -0.93 114.38 127.12 2pnl h ARG 518 Ca -0.15 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.98 2pnl h ARG 518 Cb 1.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2pnl h ARG 518 CO 0.42 0.43 0.06 0.00 -1.51 0.00 0.00 179.97 179.37 2pnl h ALA 519 N 1.57 0.45 -0.12 2.80 0.00 -1.97 -0.38 119.26 121.61 2pnl h ALA 519 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2pnl h ALA 519 Cb 0.80 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2pnl h ALA 519 CO 0.06 0.15 0.04 1.25 0.00 0.00 0.00 179.25 180.74 2pnl h LEU 520 N 0.39 0.17 -0.69 0.00 5.85 -1.86 -1.35 115.31 117.82 2pnl h LEU 520 Ca 0.10 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.75 2pnl h LEU 520 Cb 0.35 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.21 2pnl h LEU 520 CO 0.01 0.32 -0.31 0.50 -0.34 0.00 0.00 178.44 178.62 2pnl h LYS 521 N 0.01 -0.10 -0.43 1.25 3.64 -1.08 -1.41 116.57 118.44 2pnl h LYS 521 Ca 0.04 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2pnl h LYS 521 Cb 0.21 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2pnl h LYS 521 CO -0.00 -0.06 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.15 2pnl h ASN 522 N -0.10 0.72 0.04 4.20 2.35 -0.62 -0.85 115.58 121.31 2pnl h ASN 522 Ca 0.28 -0.19 -0.27 0.00 -0.55 0.00 0.00 56.30 55.57 2pnl h ASN 522 Cb 0.56 -0.19 0.02 0.00 0.05 0.00 0.00 38.32 38.76 2pnl h ASN 522 CO -0.75 0.82 -1.08 0.08 -1.65 0.00 0.00 177.43 174.86 2pnl h ARG 523 N 0.68 0.65 -0.25 0.81 0.11 -0.73 -2.70 114.38 112.96 2pnl h ARG 523 Ca 0.13 -0.76 -0.20 0.00 0.10 0.00 0.00 59.98 59.25 2pnl h ARG 523 Cb 0.51 0.23 0.00 0.00 1.11 0.00 0.00 29.97 31.82 2pnl h ARG 523 CO 0.03 1.33 -0.61 -0.07 0.10 0.00 0.00 179.97 180.75 2pnl h LEU 524 N 0.30 0.97 -0.01 0.08 3.38 -1.28 -3.17 115.31 115.58 2pnl h LEU 524 Ca -0.15 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2pnl h LEU 524 Cb 1.74 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2pnl h LEU 524 CO 0.21 1.36 0.00 -0.62 0.09 0.00 0.00 178.44 179.48 2pnl n GLU 525 N -4.00 0.01 0.24 1.13 1.02 -0.33 -2.29 120.64 116.41 2pnl n GLU 525 Ca -0.05 0.19 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 2pnl n GLU 525 Cb 0.66 -1.51 0.60 0.00 -0.02 0.00 0.00 31.44 31.17 2pnl n GLU 525 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pnl h SER 526 N 0.00 0.00 0.28 1.62 4.64 -1.44 -1.70 113.55 116.95 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 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2pnl h SER 526 CO 0.00 0.19 -0.12 0.00 -0.87 0.00 0.00 176.83 176.04 2pnl n ALA 527 N -2.32 2.79 -1.73 5.18 0.00 -0.97 -4.92 120.51 118.54 2pnl n ALA 527 Ca -0.01 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 2pnl n ALA 527 Cb 0.31 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.53 2pnl n ALA 527 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnl n ASN 528 N -0.79 2.21 -3.89 0.00 5.03 -0.64 -4.64 115.26 112.55 2pnl n ASN 528 Ca 0.15 0.86 -0.08 0.00 0.87 0.00 0.00 54.58 56.38 2pnl n ASN 528 Cb 0.29 -1.56 -0.04 0.00 -1.02 0.00 0.00 39.78 37.45 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 -1.36 0.03 -1.21 3.10 -0.85 0.15 -4.99 117.35 112.21 2pnl s TYR 529 Ca 0.80 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.89 2pnl s TYR 529 Cb -0.39 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 2pnl s TYR 529 CO 0.42 -1.08 0.83 0.39 -1.52 0.00 0.00 175.55 174.58 2pnl n GLU 530 N -0.41 -4.46 -1.65 -3.49 1.02 -1.26 -0.16 120.64 110.22 2pnl n GLU 530 Ca -0.04 0.71 -0.47 0.00 -0.02 0.00 0.00 57.16 57.33 2pnl n GLU 530 Cb 0.61 -5.35 -0.04 0.00 -0.02 0.00 0.00 31.44 26.63 2pnl n GLU 530 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2pnl n GLU 531 N -4.04 1.93 -3.81 3.49 2.13 -1.26 -3.83 120.64 115.25 2pnl n GLU 531 Ca -0.23 0.69 -0.13 0.00 0.66 0.00 0.00 57.16 58.15 2pnl n GLU 531 Cb 0.66 -2.42 -0.14 0.00 0.27 0.00 0.00 31.44 29.81 2pnl n GLU 531 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2pnl s VAL 532 N 0.66 -0.02 -0.17 6.31 0.11 0.00 -4.97 120.40 122.31 2pnl s VAL 532 Ca 0.78 0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.82 2pnl s VAL 532 Cb -0.73 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 2pnl s VAL 532 CO 0.42 0.03 0.12 -0.70 -3.33 0.00 0.00 175.10 171.63 2pnl s GLU 533 N 0.44 3.93 0.20 1.54 2.12 -1.26 -0.65 118.70 125.01 2pnl s GLU 533 Ca -0.03 -0.23 0.11 0.00 0.36 0.00 0.00 54.97 55.18 2pnl s GLU 533 Cb -0.05 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 2pnl s GLU 533 CO -0.02 0.43 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.39 2pnl s LEU 534 N -0.02 2.45 0.93 2.70 1.43 -0.52 -5.01 118.68 120.64 2pnl s LEU 534 Ca 0.09 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 2pnl s LEU 534 Cb -0.11 -1.13 0.15 0.00 0.03 0.00 0.00 46.19 45.12 2pnl s LEU 534 CO -0.00 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.62 2pnl s PRO 535 N -2.75 0.97 0.16 1.29 0.05 -1.26 -2.30 135.00 131.16 2pnl s PRO 535 Ca 0.21 0.53 -0.34 0.00 0.05 0.00 0.00 61.00 61.45 2pnl s PRO 535 Cb -0.07 -1.80 -0.14 0.00 0.05 0.00 0.00 34.50 32.54 2pnl s PRO 535 CO 0.10 -2.37 1.60 -2.30 0.05 0.00 0.00 177.00 174.08 2pnl n PRO 536 N -3.92 2.22 -1.82 0.56 -0.02 -1.25 -4.46 135.00 126.31 2pnl n PRO 536 Ca 0.06 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 2pnl n PRO 536 Cb 0.57 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 2pnl n PRO 536 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2pnl s PRO 537 N 1.02 4.13 0.30 0.52 0.04 -1.26 -4.93 135.00 134.81 2pnl s PRO 537 Ca 0.79 2.55 0.02 0.00 0.04 0.00 0.00 61.00 64.40 2pnl s PRO 537 Cb -0.66 -3.00 0.58 0.00 0.04 0.00 0.00 34.50 31.46 2pnl s PRO 537 CO 0.38 -0.54 1.87 0.66 0.04 0.00 0.00 177.00 179.40 2pnl h SER 538 N 3.68 0.89 -5.25 6.66 4.64 -1.93 -3.40 113.55 118.85 2pnl h SER 538 Ca -0.49 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 2pnl h SER 538 Cb 1.23 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 63.08 2pnl h SER 538 CO 0.70 0.51 -0.11 -1.59 -0.87 0.00 0.00 176.83 175.46 2pnl s LYS 539 N -5.90 1.57 0.00 4.77 -2.85 -1.26 -0.56 119.74 115.50 2pnl s LYS 539 Ca -0.11 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 2pnl s LYS 539 Cb 0.21 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.46 2pnl s LYS 539 CO 0.80 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.01 2pnl n GLY 540 N -0.39 -0.36 3.22 0.59 0.00 -0.92 -4.25 105.19 103.08 2pnl n GLY 540 Ca -0.02 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 0.06 -0.12 1.61 0.11 -0.98 -4.14 120.40 114.94 2pnl s VAL 541 Ca 0.00 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 2pnl s VAL 541 Cb 0.00 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2pnl s VAL 541 CO 0.00 -0.27 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.71 2pnl s ILE 542 N -1.28 2.77 0.11 7.04 1.01 -1.26 -1.11 121.20 128.47 2pnl s ILE 542 Ca -0.13 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2pnl s ILE 542 Cb -0.05 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2pnl s ILE 542 CO 0.04 0.53 -0.12 0.68 0.00 0.00 0.00 174.94 176.07 2pnl s VAL 543 N 0.37 1.10 0.23 2.92 -7.23 -0.78 -1.45 120.40 115.55 2pnl s VAL 543 Ca -0.13 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2pnl s VAL 543 Cb -0.16 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 2pnl s VAL 543 CO 0.06 -0.50 0.47 -2.16 -0.31 0.00 0.00 175.10 172.67 2pnl s PRO 544 N -2.72 3.63 -0.04 4.82 0.04 -1.26 -0.97 135.00 138.49 2pnl s PRO 544 Ca 0.07 -0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.09 2pnl s PRO 544 Cb -0.04 -2.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 2pnl s PRO 544 CO 0.01 0.33 -0.18 0.08 0.04 0.00 0.00 177.00 177.28 2pnl s VAL 545 N -1.90 1.53 -0.19 -0.36 1.01 -0.17 -4.88 120.40 115.45 2pnl s VAL 545 Ca 0.42 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 2pnl s VAL 545 Cb -0.11 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2pnl s VAL 545 CO 0.27 0.44 0.13 -0.69 0.00 0.00 0.00 175.10 175.25 2pnl s VAL 546 N -0.01 5.42 -0.11 2.92 1.01 -1.26 -1.17 120.40 127.19 2pnl s VAL 546 Ca -0.03 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2pnl s VAL 546 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2pnl s VAL 546 CO 0.02 0.46 -0.04 -1.00 0.00 0.00 0.00 175.10 174.55 2pnl s HIS 547 N 0.20 3.03 0.15 5.22 3.76 0.23 -4.96 115.29 122.91 2pnl s HIS 547 Ca 0.09 -0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 2pnl s HIS 547 Cb -0.11 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 2pnl s HIS 547 CO -0.01 0.20 0.08 0.95 -0.85 0.00 0.00 174.74 175.11 2pnl s THR 548 N -0.32 0.08 -0.05 1.30 -4.23 -1.26 -2.59 115.64 108.57 2pnl s THR 548 Ca 0.05 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 2pnl s THR 548 Cb -0.12 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.59 2pnl s THR 548 CO 0.02 -0.35 0.21 0.54 -0.54 0.00 0.00 174.62 174.50 2pnl s VAL 549 N -4.07 0.03 0.45 2.29 0.11 -1.26 -5.07 120.40 112.88 2pnl s VAL 549 Ca 0.27 -0.24 0.13 0.00 -2.93 0.00 0.00 61.98 59.21 2pnl s VAL 549 Cb 0.07 -0.38 0.30 0.00 -1.53 0.00 0.00 36.38 34.84 2pnl s VAL 549 CO 0.04 -0.13 2.05 0.07 -3.33 0.00 0.00 175.10 173.80 2pnl h LYS 550 N 5.17 0.33 -0.00 1.54 -0.00 -2.02 -2.27 116.57 119.33 2pnl h LYS 550 Ca -0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.36 2pnl h LYS 550 Cb 1.19 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 2pnl h LYS 550 CO 0.38 0.22 0.00 -1.13 -0.00 0.00 0.00 179.45 178.92 2pnl n SER 551 N -4.48 0.07 -3.24 7.07 3.41 -1.26 -3.87 113.62 111.33 2pnl n SER 551 Ca 0.04 -1.11 -0.26 0.00 -0.26 0.00 0.00 58.87 57.28 2pnl n SER 551 Cb 0.21 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 2pnl n SER 551 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pnl n ALA 552 N -0.90 3.83 -1.58 7.33 0.00 -0.85 -5.09 120.51 123.24 2pnl n ALA 552 Ca 0.22 -4.44 -0.50 0.00 0.00 0.00 0.00 53.44 48.71 2pnl n ALA 552 Cb 0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 2pnl n ALA 552 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pnl n PRO 553 N 0.59 1.10 -1.00 0.00 -0.02 -1.25 -2.39 135.00 132.04 2pnl n PRO 553 Ca 0.29 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2pnl n PRO 553 Cb 0.44 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2pnl n PRO 553 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnl n GLY 554 N 2.15 0.93 3.65 -1.23 0.00 -1.26 -5.01 105.19 104.43 2pnl n GLY 554 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.00 2.37 0.10 1.61 2.02 -1.00 -1.00 118.70 122.79 2pnl s GLU 555 Ca 0.00 -1.12 -0.25 0.00 0.02 0.00 0.00 54.97 53.61 2pnl s GLU 555 Cb 0.00 -2.34 0.08 0.00 0.10 0.00 0.00 34.13 31.97 2pnl s GLU 555 CO 0.00 0.45 0.75 0.00 0.02 0.00 0.00 175.26 176.48 2pnl s ALA 556 N -1.73 -1.67 0.21 5.21 0.00 -0.61 -4.46 121.76 118.71 2pnl s ALA 556 Ca 0.27 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 2pnl s ALA 556 Cb -0.09 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2pnl s ALA 556 CO 0.18 -0.77 0.53 -0.59 0.00 0.00 0.00 175.76 175.11 2pnl s PHE 557 N -3.48 -0.04 0.26 0.00 -0.12 -1.07 -0.05 117.98 113.48 2pnl s PHE 557 Ca 0.04 -0.31 0.11 0.00 -0.05 0.00 0.00 56.93 56.71 2pnl s PHE 557 Cb -0.01 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 2pnl s PHE 557 CO -0.09 -0.96 -0.10 0.20 -0.05 0.00 0.00 175.22 174.22 2pnl s GLY 558 N -2.90 1.76 0.30 1.99 0.00 -1.26 0.75 107.32 107.96 2pnl s GLY 558 Ca 0.11 -1.74 -0.10 0.00 0.00 0.00 0.00 44.72 43.00 2pnl s GLY 558 CO -0.00 -1.81 0.52 -1.35 0.00 0.00 0.00 173.10 170.47 2pnl s SER 559 N -3.50 0.28 0.07 1.64 1.04 -0.32 -4.76 113.70 108.16 2pnl s SER 559 Ca 0.30 -1.16 0.06 0.00 0.48 0.00 0.00 55.95 55.63 2pnl s SER 559 Cb -0.06 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2pnl s SER 559 CO 0.17 -1.28 -0.11 -0.76 0.98 0.00 0.00 173.24 172.24 2pnl s LEU 560 N -3.10 2.98 0.04 2.42 1.43 -1.26 -0.99 118.68 120.19 2pnl s LEU 560 Ca 0.24 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2pnl s LEU 560 Cb -0.01 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2pnl s LEU 560 CO 0.13 0.22 -0.17 0.00 0.23 0.00 0.00 176.35 176.76 2pnl s ALA 561 N -1.11 1.40 -0.10 4.21 0.00 -0.14 -1.50 121.76 124.51 2pnl s ALA 561 Ca 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2pnl s ALA 561 Cb -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2pnl s ALA 561 CO 0.11 0.29 -0.09 -1.50 0.00 0.00 0.00 175.76 174.56 2pnl s ILE 562 N -0.80 3.43 -0.35 0.00 2.07 0.33 -1.87 121.20 124.01 2pnl s ILE 562 Ca 0.04 -0.55 -0.10 0.00 -1.41 0.00 0.00 60.65 58.63 2pnl s ILE 562 Cb -0.08 -2.43 0.02 0.00 0.13 0.00 0.00 42.46 40.10 2pnl s ILE 562 CO 0.01 0.55 0.17 -0.63 -1.91 0.00 0.00 174.94 173.14 2pnl s ILE 563 N -0.17 4.42 0.13 2.00 1.01 -0.26 -0.47 121.20 127.86 2pnl s ILE 563 Ca 0.01 -0.79 0.11 0.00 0.00 0.00 0.00 60.65 59.97 2pnl s ILE 563 Cb -0.13 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2pnl s ILE 563 CO 0.03 -0.14 -0.25 0.27 0.00 0.00 0.00 174.94 174.85 2pnl s ILE 564 N 1.54 2.41 0.40 2.92 -4.36 -0.87 -2.31 121.20 120.93 2pnl s ILE 564 Ca 0.02 -1.73 -0.26 0.00 -0.26 0.00 0.00 60.65 58.42 2pnl s ILE 564 Cb -0.19 -2.09 -0.08 0.00 1.25 0.00 0.00 42.46 41.35 2pnl s ILE 564 CO 0.06 0.07 1.23 -2.84 0.24 0.00 0.00 174.94 173.70 2pnl s PRO 565 N -2.15 4.02 0.00 0.37 0.02 -1.26 -1.42 135.00 134.58 2pnl s PRO 565 Ca 0.16 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.16 2pnl s PRO 565 Cb -0.10 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.70 2pnl s PRO 565 CO 0.07 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2pnl n GLY 566 N 0.67 2.11 3.11 0.52 0.00 0.21 -4.80 105.19 107.01 2pnl n GLY 566 Ca 0.04 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.85 2.11 -0.46 1.61 2.02 -1.26 -2.27 118.70 118.61 2pnl s GLU 567 Ca 0.00 -1.54 0.07 0.00 0.02 0.00 0.00 54.97 53.53 2pnl s GLU 567 Cb 0.00 -3.24 0.40 0.00 0.10 0.00 0.00 34.13 31.39 2pnl s GLU 567 CO 0.00 -0.79 1.01 0.66 0.02 0.00 0.00 175.26 176.16 2pnl n TYR 568 N 4.51 3.01 -0.05 1.61 4.01 -1.26 -4.89 117.16 124.10 2pnl n TYR 568 Ca -0.07 -3.40 0.09 0.00 -0.16 0.00 0.00 57.90 54.36 2pnl n TYR 568 Cb 0.42 -0.27 0.47 0.00 -0.31 0.00 0.00 39.34 39.65 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 2.80 0.45 0.00 -0.72 0.13 -1.96 -1.43 132.00 131.27 2pnl h PRO 569 Ca 0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2pnl h PRO 569 Cb 0.84 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2pnl h PRO 569 CO 0.76 0.30 0.00 1.05 -0.23 0.00 0.00 178.00 179.88 2pnl h GLU 570 N 0.47 0.00 -0.00 0.86 9.09 -1.99 -1.20 114.58 121.81 2pnl h GLU 570 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 2pnl h GLU 570 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 2pnl h GLU 570 CO -0.06 0.00 -0.35 1.28 0.05 0.00 0.00 179.01 179.93 2pnl n LEU 571 N -2.31 0.74 -4.88 3.06 4.77 -0.54 -4.87 117.00 112.97 2pnl n LEU 571 Ca -0.00 -0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.50 2pnl n LEU 571 Cb 0.11 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2pnl n LEU 571 CO 0.14 0.15 -0.13 -0.76 -1.33 0.00 0.00 177.39 175.46 2pnl s LEU 572 N -2.73 4.39 0.27 2.23 1.43 -0.45 -4.50 118.68 119.32 2pnl s LEU 572 Ca 0.18 0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 53.49 2pnl s LEU 572 Cb 0.18 -2.33 -0.14 0.00 0.03 0.00 0.00 46.19 43.94 2pnl s LEU 572 CO 0.60 0.35 1.09 -0.67 0.23 0.00 0.00 176.35 177.95 2pnl n ASP 573 N 1.59 1.56 0.09 2.29 2.03 -1.26 -4.80 116.55 118.05 2pnl n ASP 573 Ca -0.16 1.17 0.18 0.00 0.52 0.00 0.00 54.79 56.50 2pnl n ASP 573 Cb 0.54 -1.31 0.72 0.00 -0.72 0.00 0.00 41.12 40.35 2pnl n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pnl h ALA 574 N 2.45 2.24 0.00 -1.67 0.00 -1.92 0.32 119.26 120.68 2pnl h ALA 574 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2pnl h ALA 574 Cb 1.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2pnl h ALA 574 CO 0.64 -0.47 0.00 -0.91 0.00 0.00 0.00 179.25 178.50 2pnl h ASN 575 N 0.00 0.00 -0.02 0.00 4.21 -1.88 -0.82 115.58 117.07 2pnl h ASN 575 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 2pnl h ASN 575 Cb 0.74 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 2pnl h ASN 575 CO -0.00 0.00 -0.21 0.00 -1.29 0.00 0.00 177.43 175.93 2pnl n GLN 576 N -2.64 1.79 -1.74 0.81 6.02 0.11 -3.44 117.38 118.30 2pnl n GLN 576 Ca -0.01 -1.46 -0.42 0.00 -0.01 0.00 0.00 57.00 55.10 2pnl n GLN 576 Cb 0.13 -1.47 -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 0.67 2.79 -3.90 -1.09 6.02 -0.32 -2.58 117.38 118.98 2pnl n GLN 577 Ca 0.12 -2.59 -0.14 0.00 -0.01 0.00 0.00 57.00 54.38 2pnl n GLN 577 Cb 0.53 -3.28 -0.15 0.00 1.02 0.00 0.00 30.24 28.36 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 3.35 0.08 -0.24 5.09 1.01 -1.26 -4.99 120.40 123.44 2pnl s VAL 578 Ca 0.48 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 2pnl s VAL 578 Cb 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.35 2pnl s VAL 578 CO -0.07 0.06 0.16 -0.76 0.00 0.00 0.00 175.10 174.48 2pnl s LEU 579 N 0.33 4.11 -0.03 3.92 1.43 -1.26 -0.88 118.68 126.30 2pnl s LEU 579 Ca -0.03 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2pnl s LEU 579 Cb -0.05 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2pnl s LEU 579 CO -0.01 0.07 0.18 -0.55 0.23 0.00 0.00 176.35 176.27 2pnl s SER 580 N 1.02 6.38 -0.06 2.29 0.15 0.50 -4.92 113.70 119.06 2pnl s SER 580 Ca 0.07 0.38 0.04 0.00 0.70 0.00 0.00 55.95 57.14 2pnl s SER 580 Cb -0.13 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.14 2pnl s SER 580 CO 0.04 0.29 -0.17 -1.00 1.20 0.00 0.00 173.24 173.60 2pnl s HIS 581 N -1.27 2.65 0.93 3.44 0.09 -1.26 0.10 115.29 119.97 2pnl s HIS 581 Ca 0.25 -0.38 -0.12 0.00 -0.00 0.00 0.00 55.06 54.81 2pnl s HIS 581 Cb -0.13 -1.66 0.15 0.00 -0.00 0.00 0.00 32.58 30.95 2pnl s HIS 581 CO 0.16 0.02 1.09 -0.06 -0.00 0.00 0.00 174.74 175.95 2pnl s PHE 582 N -0.40 2.25 0.40 1.40 0.40 -0.33 -1.27 117.98 120.43 2pnl s PHE 582 Ca 0.04 1.16 -0.27 0.00 -0.60 0.00 0.00 56.93 57.26 2pnl s PHE 582 Cb -0.12 -3.20 -0.10 0.00 0.51 0.00 0.00 43.02 40.11 2pnl s PHE 582 CO 0.02 -2.56 1.44 0.00 0.70 0.00 0.00 175.22 174.82 2pnl n ALA 583 N -3.97 2.09 -0.80 5.36 0.00 -0.44 -4.62 120.51 118.13 2pnl n ALA 583 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2pnl n ALA 583 Cb 0.56 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 0.27 -0.44 -3.52 0.00 3.02 -1.26 -3.56 115.26 109.77 2pnl n ASN 584 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.24 2pnl n ASN 584 Cb 0.39 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2pnl n ASN 584 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pnl n ASP 585 N -2.22 5.36 -0.41 6.41 2.03 -1.26 -4.74 116.55 121.72 2pnl n ASP 585 Ca 0.00 -3.54 0.09 0.00 0.52 0.00 0.00 54.79 51.86 2pnl n ASP 585 Cb 0.00 -0.91 0.19 0.00 -0.72 0.00 0.00 41.12 39.68 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 0.56 2.06 0.00 5.18 -2.24 -1.23 -4.93 114.28 113.68 2pnl n THR 586 Ca 0.32 -2.19 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 2pnl n THR 586 Cb 0.35 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.10 -1.29 3.74 3.38 0.00 -1.26 -1.39 105.19 107.27 2pnl n GLY 587 Ca 0.19 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 2pnl n GLY 587 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pnl s SER 588 N -1.11 0.00 -0.08 1.61 1.04 -1.26 -1.19 113.70 112.72 2pnl s SER 588 Ca 0.00 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.49 2pnl s SER 588 Cb 0.00 0.73 0.02 0.00 0.10 0.00 0.00 66.02 66.87 2pnl s SER 588 CO 0.00 -1.42 -0.11 -0.69 0.98 0.00 0.00 173.24 172.00 2pnl s VAL 589 N -3.30 1.12 0.12 5.02 1.01 0.29 -1.78 120.40 122.86 2pnl s VAL 589 Ca 0.17 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 2pnl s VAL 589 Cb -0.04 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2pnl s VAL 589 CO 0.10 0.36 1.24 0.26 0.00 0.00 0.00 175.10 177.07 2pnl s TRP 590 N 0.88 3.38 0.00 5.22 0.52 -0.39 -0.37 118.94 128.19 2pnl s TRP 590 Ca -0.10 1.26 0.00 0.00 0.02 0.00 0.00 56.10 57.27 2pnl s TRP 590 Cb -0.15 -3.49 0.00 0.00 -1.15 0.00 0.00 33.47 28.68 2pnl s TRP 590 CO 0.01 -1.52 0.00 0.41 0.02 0.00 0.00 176.95 175.87 2pnl n GLY 591 N 2.93 0.41 3.47 0.98 0.00 -0.06 -0.75 105.19 112.18 2pnl n GLY 591 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.26 -1.04 -0.61 1.01 -1.25 -0.89 121.20 119.68 2pnl s ILE 592 Ca 0.00 -0.63 0.17 0.00 0.00 0.00 0.00 60.65 60.19 2pnl s ILE 592 Cb 0.00 -2.33 -0.12 0.00 0.01 0.00 0.00 42.46 40.02 2pnl s ILE 592 CO 0.00 0.57 0.76 0.61 0.00 0.00 0.00 174.94 176.88 2pnl n GLY 593 N 2.72 -0.38 3.32 6.18 0.00 -0.34 -2.79 105.19 113.90 2pnl n GLY 593 Ca -0.18 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.37 1.25 0.71 1.61 2.02 -1.26 -4.95 118.70 115.70 2pnl s GLU 594 Ca 0.09 -1.21 -0.11 0.00 0.02 0.00 0.00 54.97 53.76 2pnl s GLU 594 Cb 0.13 -1.58 0.02 0.00 0.10 0.00 0.00 34.13 32.79 2pnl s GLU 594 CO 0.60 0.37 1.06 -0.51 0.02 0.00 0.00 175.26 176.81 2pnl s ASP 595 N -1.89 5.27 -0.23 -0.19 1.01 -1.26 -4.58 116.67 114.80 2pnl s ASP 595 Ca 0.09 1.58 -0.07 0.00 0.71 0.00 0.00 52.55 54.86 2pnl s ASP 595 Cb -0.10 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2pnl s ASP 595 CO 0.05 -1.51 0.05 -0.63 0.21 0.00 0.00 175.17 173.34 2pnl s ILE 596 N -3.06 4.29 -1.91 0.77 1.01 -0.40 -4.91 121.20 116.99 2pnl s ILE 596 Ca 0.58 -0.19 0.22 0.00 0.00 0.00 0.00 60.65 61.26 2pnl s ILE 596 Cb -0.14 -2.98 0.59 0.00 0.01 0.00 0.00 42.46 39.94 2pnl s ILE 596 CO 0.55 0.38 1.69 -2.65 0.00 0.00 0.00 174.94 174.91 2pnl n PRO 597 N 4.52 0.63 -4.47 2.79 -0.02 -1.26 -2.14 135.00 135.04 2pnl n PRO 597 Ca -0.16 0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.10 2pnl n PRO 597 Cb 0.52 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.40 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 -2.09 1.84 0.54 6.00 -0.12 -1.26 -4.76 117.98 118.13 2pnl s PHE 598 Ca 0.31 -1.12 -0.13 0.00 -0.05 0.00 0.00 56.93 55.94 2pnl s PHE 598 Cb 0.15 -1.19 -0.06 0.00 -0.63 0.00 0.00 43.02 41.29 2pnl s PHE 598 CO 0.27 -0.15 0.96 -1.21 -0.05 0.00 0.00 175.22 175.04 2pnl s GLU 599 N -3.83 3.78 0.00 1.99 2.02 -1.26 -1.33 118.70 120.06 2pnl s GLU 599 Ca 0.31 0.77 0.00 0.00 0.02 0.00 0.00 54.97 56.07 2pnl s GLU 599 Cb 0.06 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2pnl s GLU 599 CO 0.15 -0.35 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2pnl n GLY 600 N -2.01 2.69 1.93 -1.39 0.00 -1.25 -4.88 105.19 100.27 2pnl n GLY 600 Ca 0.05 -2.07 -0.23 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.82 5.06 -3.09 1.61 5.75 -1.22 -4.93 116.55 118.92 2pnl n ASP 601 Ca 0.00 -3.77 -0.16 0.00 -0.01 0.00 0.00 54.79 50.85 2pnl n ASP 601 Cb 0.00 -0.50 0.02 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.81 -7.18 -4.18 -1.12 5.03 -0.48 -5.03 115.26 101.48 2pnl n ASN 602 Ca 0.45 0.21 -0.26 0.00 0.87 0.00 0.00 54.58 55.85 2pnl n ASN 602 Cb 0.90 -4.29 -0.16 0.00 -1.02 0.00 0.00 39.78 35.22 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 -0.30 1.73 -0.08 0.00 2.02 -0.73 0.64 117.35 120.64 2pnl s TYR 605 Ca 0.04 -1.02 -0.01 0.00 -0.37 0.00 0.00 57.07 55.71 2pnl s TYR 605 Cb -0.09 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 2pnl s TYR 605 CO 0.00 -0.11 -0.01 0.99 -1.57 0.00 0.00 175.55 174.85 2pnl s THR 606 N -3.47 0.48 -0.32 -0.71 2.01 -0.50 -1.26 115.64 111.87 2pnl s THR 606 Ca 0.35 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.14 2pnl s THR 606 Cb 0.08 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.98 2pnl s THR 606 CO 0.13 0.27 0.90 0.00 -0.69 0.00 0.00 174.62 175.24 2pnl s ALA 607 N 1.85 3.51 0.04 7.40 0.00 0.07 -2.06 121.76 132.58 2pnl s ALA 607 Ca 0.04 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.78 2pnl s ALA 607 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2pnl s ALA 607 CO -0.05 -1.34 -0.22 -0.51 0.00 0.00 0.00 175.76 173.63 2pnl s LEU 608 N 3.25 2.39 0.11 0.00 1.43 0.38 -4.58 118.68 121.65 2pnl s LEU 608 Ca 0.37 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.65 2pnl s LEU 608 Cb -0.13 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.60 2pnl s LEU 608 CO 0.14 0.26 1.66 -2.84 0.23 0.00 0.00 176.35 175.80 2pnl s PRO 609 N -1.34 4.19 -0.41 1.29 0.02 -1.26 -0.51 135.00 136.98 2pnl s PRO 609 Ca 0.13 2.40 -0.15 0.00 0.02 0.00 0.00 61.00 63.40 2pnl s PRO 609 Cb -0.10 -3.45 0.02 0.00 0.02 0.00 0.00 34.50 30.99 2pnl s PRO 609 CO 0.04 -0.72 0.30 -1.17 -0.33 0.00 0.00 177.00 175.12 2pnl s LEU 610 N 2.18 5.11 0.01 -5.54 2.96 -0.56 -3.32 118.68 119.52 2pnl s LEU 610 Ca 0.74 -0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 53.67 2pnl s LEU 610 Cb -0.42 -2.16 -0.30 0.00 0.50 0.00 0.00 46.19 43.81 2pnl s LEU 610 CO 0.33 -0.45 0.89 0.50 -1.32 0.00 0.00 176.35 176.29 2pnl h LYS 611 N 8.63 0.34 -1.81 1.98 3.64 -0.64 -3.41 116.57 125.30 2pnl h LYS 611 Ca -0.27 -0.59 0.07 0.00 -1.27 0.00 0.00 60.65 58.59 2pnl h LYS 611 Cb 1.12 0.22 -0.22 0.00 -0.41 0.00 0.00 32.23 32.94 2pnl h LYS 611 CO 0.73 1.24 0.07 -2.00 -2.27 0.00 0.00 179.45 177.22 2pnl s GLU 612 N -2.61 0.57 -0.46 1.90 2.12 -1.05 -4.96 118.70 114.20 2pnl s GLU 612 Ca -0.10 1.13 -0.17 0.00 0.36 0.00 0.00 54.97 56.20 2pnl s GLU 612 Cb 0.06 0.36 0.05 0.00 0.26 0.00 0.00 34.13 34.86 2pnl s GLU 612 CO 0.88 -0.14 0.45 -1.50 -0.54 0.00 0.00 175.26 174.40 2pnl s ILE 613 N 2.00 5.11 0.51 -3.70 2.07 -1.26 -0.18 121.20 125.76 2pnl s ILE 613 Ca -0.08 -0.71 -0.20 0.00 -1.41 0.00 0.00 60.65 58.25 2pnl s ILE 613 Cb -0.07 -4.13 -0.07 0.00 0.13 0.00 0.00 42.46 38.33 2pnl s ILE 613 CO -0.18 -0.57 1.10 -0.54 -1.91 0.00 0.00 174.94 172.83 2pnl s LYS 614 N 2.01 3.56 0.24 3.50 1.02 -0.13 -4.97 119.74 124.97 2pnl s LYS 614 Ca 0.09 1.53 -0.07 0.00 0.02 0.00 0.00 55.97 57.54 2pnl s LYS 614 Cb -0.21 -2.08 0.27 0.00 -0.52 0.00 0.00 37.83 35.30 2pnl s LYS 614 CO 0.10 -0.66 1.89 -0.09 -0.92 0.00 0.00 175.35 175.67 2pnl h ARG 615 N 1.41 1.11 0.00 1.68 2.43 -1.98 -0.29 114.38 118.75 2pnl h ARG 615 Ca -0.50 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2pnl h ARG 615 Cb 1.25 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2pnl h ARG 615 CO 0.58 0.74 0.00 0.27 -1.51 0.00 0.00 179.97 180.05 2pnl n ASN 616 N -4.51 0.00 0.00 -3.80 6.94 -1.26 -4.83 115.26 107.80 2pnl n ASN 616 Ca 0.11 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.68 2pnl n ASN 616 Cb 0.08 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 2pnl n ASN 616 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pnl n GLY 617 N -0.95 2.06 3.77 4.83 0.00 -0.12 -4.79 105.19 109.99 2pnl n GLY 617 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2pnl n GLY 617 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pnl n ASN 618 N 0.00 3.68 -4.43 1.61 3.02 -1.26 -3.88 115.26 114.01 2pnl n ASN 618 Ca 0.00 1.19 -0.33 0.00 -0.03 0.00 0.00 54.58 55.41 2pnl n ASN 618 Cb 0.00 -1.62 -0.13 0.00 -0.61 0.00 0.00 39.78 37.41 2pnl n ASN 618 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2pnl s ILE 619 N -1.15 3.25 -0.20 2.41 -4.36 -0.97 -0.95 121.20 119.23 2pnl s ILE 619 Ca 0.56 -0.61 -0.12 0.00 -0.26 0.00 0.00 60.65 60.22 2pnl s ILE 619 Cb -0.46 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 40.85 2pnl s ILE 619 CO 0.62 0.54 0.22 -0.69 0.24 0.00 0.00 174.94 175.87 2pnl s VAL 620 N 0.04 5.34 0.38 8.37 1.01 0.75 -1.44 120.40 134.84 2pnl s VAL 620 Ca -0.03 0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.35 2pnl s VAL 620 Cb -0.14 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 2pnl s VAL 620 CO 0.04 0.37 0.03 0.68 0.00 0.00 0.00 175.10 176.21 2pnl s VAL 621 N 0.78 1.68 0.24 2.92 -7.23 0.17 0.09 120.40 119.05 2pnl s VAL 621 Ca 0.12 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 2pnl s VAL 621 Cb -0.13 -2.92 0.04 0.00 0.56 0.00 0.00 36.38 33.93 2pnl s VAL 621 CO 0.03 -0.00 0.70 -1.83 -0.31 0.00 0.00 175.10 173.69 2pnl s GLU 622 N -3.78 1.61 0.08 4.82 -1.05 -1.21 -0.82 118.70 118.35 2pnl s GLU 622 Ca 0.36 -0.82 -0.18 0.00 -0.15 0.00 0.00 54.97 54.17 2pnl s GLU 622 Cb 0.09 0.59 -0.07 0.00 -0.44 0.00 0.00 34.13 34.31 2pnl s GLU 622 CO 0.17 -0.73 0.55 0.15 0.95 0.00 0.00 175.26 176.36 2pnl s LYS 623 N -3.83 4.14 0.02 -4.83 1.02 0.77 -4.33 119.74 112.70 2pnl s LYS 623 Ca 0.08 0.67 0.06 0.00 0.02 0.00 0.00 55.97 56.80 2pnl s LYS 623 Cb -0.04 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.07 2pnl s LYS 623 CO 0.01 0.61 -0.18 0.96 -0.92 0.00 0.00 175.35 175.84 2pnl s ILE 624 N -1.18 1.42 -0.99 2.17 -4.36 -1.26 -0.68 121.20 116.32 2pnl s ILE 624 Ca 0.30 -0.99 -0.21 0.00 -0.26 0.00 0.00 60.65 59.50 2pnl s ILE 624 Cb -0.18 -1.23 0.09 0.00 1.25 0.00 0.00 42.46 42.39 2pnl s ILE 624 CO 0.19 0.21 1.31 0.12 0.24 0.00 0.00 174.94 177.01 2pnl s PHE 625 N -0.68 2.82 0.11 1.37 5.36 -1.26 -4.55 117.98 121.15 2pnl s PHE 625 Ca 0.06 -1.13 -0.25 0.00 -0.96 0.00 0.00 56.93 54.65 2pnl s PHE 625 Cb -0.08 -4.51 0.07 0.00 -0.34 0.00 0.00 43.02 38.17 2pnl s PHE 625 CO 0.01 -1.72 0.82 0.00 -1.46 0.00 0.00 175.22 172.86 2pnl s ALA 626 N 3.87 -1.65 1.10 11.12 0.00 -1.26 -5.10 121.76 129.85 2pnl s ALA 626 Ca 0.40 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 2pnl s ALA 626 Cb -0.02 0.64 0.26 0.00 0.00 0.00 0.00 23.12 24.00 2pnl s ALA 626 CO -0.09 -0.84 1.24 0.20 0.00 0.00 0.00 175.76 176.27 2pnl s GLY 627 N -2.72 1.72 0.84 0.00 0.00 -1.26 -4.14 107.32 101.75 2pnl s GLY 627 Ca 0.07 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 2pnl s GLY 627 CO -0.05 -0.32 1.10 2.56 0.00 0.00 0.00 173.10 176.38 2pnl s PRO 628 N -5.75 1.71 0.88 2.90 0.04 -1.22 -4.72 135.00 128.83 2pnl s PRO 628 Ca 0.74 1.14 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 2pnl s PRO 628 Cb -0.05 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.78 2pnl s PRO 628 CO 0.55 -2.02 1.11 0.42 0.04 0.00 0.00 177.00 177.09 2pnl s ILE 629 N -2.85 2.64 0.55 0.56 1.01 -0.07 -4.60 121.20 118.43 2pnl s ILE 629 Ca 0.63 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.49 2pnl s ILE 629 Cb -0.19 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.80 2pnl s ILE 629 CO 0.57 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.85 2pnl n GLY 631 N -0.51 -3.01 0.00 6.18 0.00 -1.26 -1.20 105.19 105.39 2pnl n GLY 631 Ca 0.09 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.30 0.50 0.00 1.61 -0.04 -1.26 -4.42 135.00 127.09 2pnl n PRO 632 Ca -0.07 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.54 2pnl n PRO 632 Cb 0.67 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.19 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 -1.25 0.33 -0.37 3.54 3.41 -1.26 -2.36 113.62 115.66 2pnl n SER 633 Ca 0.15 -0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.66 2pnl n SER 633 Cb 0.22 -0.14 0.50 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.21 2.57 -0.20 7.33 0.00 -1.26 -2.41 120.51 125.32 2pnl n ALA 634 Ca 0.11 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 2pnl n ALA 634 Cb 0.30 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 1.56 1.04 -0.19 0.00 4.20 -1.43 -1.71 115.11 118.59 2pnl h GLN 635 Ca 0.00 -0.31 0.05 0.00 0.06 0.00 0.00 58.65 58.45 2pnl h GLN 635 Cb 0.34 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 2pnl h GLN 635 CO 0.00 1.00 -0.11 1.25 -0.67 0.00 0.00 178.83 180.30 2pnl h LEU 636 N 0.96 -0.35 -0.75 1.46 5.85 -1.14 0.82 115.31 122.15 2pnl h LEU 636 Ca 0.18 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 2pnl h LEU 636 Cb 0.51 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2pnl h LEU 636 CO 0.02 -0.14 0.04 1.23 -0.34 0.00 0.00 178.44 179.26 2pnl h GLY 637 N -0.10 1.07 1.27 3.75 0.00 -1.74 -2.58 103.07 104.74 2pnl h GLY 637 Ca 0.11 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.58 2pnl h GLY 637 CO -0.25 0.68 -0.28 1.41 0.00 0.00 0.00 176.54 178.10 2pnl h LEU 638 N 0.92 0.86 -0.69 3.11 3.38 -0.97 -1.04 115.31 120.88 2pnl h LEU 638 Ca 0.18 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2pnl h LEU 638 Cb 0.47 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2pnl h LEU 638 CO 0.02 1.08 0.42 -1.28 0.09 0.00 0.00 178.44 178.77 2pnl h SER 639 N 0.71 0.67 0.20 -0.43 0.87 -0.66 -2.30 113.55 112.60 2pnl h SER 639 Ca 0.08 0.01 -0.22 0.00 -1.23 0.00 0.00 61.79 60.43 2pnl h SER 639 Cb 0.82 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2pnl h SER 639 CO 0.07 0.45 -0.90 -0.07 -0.53 0.00 0.00 176.83 175.85 2pnl h LEU 640 N 0.80 0.64 -0.94 2.23 3.38 -1.25 -2.09 115.31 118.08 2pnl h LEU 640 Ca 0.29 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2pnl h LEU 640 Cb 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2pnl h LEU 640 CO -0.13 1.27 0.18 0.25 0.09 0.00 0.00 178.44 180.10 2pnl h LEU 641 N 0.31 0.89 0.00 1.67 5.85 -1.05 0.70 115.31 123.68 2pnl h LEU 641 Ca -0.08 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2pnl h LEU 641 Cb 1.52 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2pnl h LEU 641 CO 0.16 0.85 -1.23 1.33 -0.34 0.00 0.00 178.44 179.20 2pnl n VAL 642 N -4.27 0.57 -0.07 1.05 0.24 -0.88 -4.33 118.33 110.64 2pnl n VAL 642 Ca 0.05 -0.56 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 2pnl n VAL 642 Cb 0.22 -0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 32.19 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 -2.62 2.19 0.00 -1.34 4.13 -0.79 -4.52 115.26 112.31 2pnl n ASN 643 Ca -0.02 -0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2pnl n ASN 643 Cb 0.59 0.32 0.00 0.00 -1.54 0.00 0.00 39.78 39.15 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 -2.72 0.08 -4.73 6.41 8.00 0.30 -5.01 116.55 118.89 2pnl n ASP 644 Ca -0.25 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 2pnl n ASP 644 Cb 0.88 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.00 3.33 0.00 0.53 1.01 0.22 -4.91 121.20 119.38 2pnl s ILE 645 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.67 2pnl s ILE 645 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2pnl s ILE 645 CO 0.00 0.12 0.00 -0.62 0.00 0.00 0.00 174.94 174.44 2pnl n GLU 646 N 3.28 1.07 -4.18 2.79 1.02 -1.26 -4.75 120.64 118.61 2pnl n GLU 646 Ca 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 2pnl n GLU 646 Cb 0.43 -0.88 -0.13 0.00 -0.02 0.00 0.00 31.44 30.84 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 -3.33 1.02 0.30 1.62 1.11 -1.26 -4.61 116.67 111.52 2pnl s ASP 647 Ca 0.00 -0.38 0.00 0.00 0.18 0.00 0.00 52.55 52.35 2pnl s ASP 647 Cb 0.00 -0.04 0.00 0.00 1.07 0.00 0.00 42.92 43.95 2pnl s ASP 647 CO 0.00 -0.05 0.00 0.61 1.18 0.00 0.00 175.17 176.91 2pnl n GLY 648 N 2.04 -1.88 3.06 0.21 0.00 0.27 -4.83 105.19 104.07 2pnl n GLY 648 Ca -0.18 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 2pnl n GLY 648 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnl s VAL 649 N -1.12 1.93 0.30 1.61 1.01 -1.26 -2.16 120.40 120.70 2pnl s VAL 649 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 2pnl s VAL 649 Cb 0.00 -1.91 -0.13 0.00 0.00 0.00 0.00 36.38 34.34 2pnl s VAL 649 CO 0.00 0.26 1.22 -2.65 0.00 0.00 0.00 175.10 173.93 2pnl n PRO 650 N 4.60 1.82 -3.02 2.72 -0.02 -1.26 -5.00 135.00 134.84 2pnl n PRO 650 Ca -0.17 0.64 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 2pnl n PRO 650 Cb 0.47 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2pnl n PRO 650 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2pnl n ARG 651 N 0.96 3.48 -3.69 -0.52 1.74 -1.26 -4.74 116.66 112.63 2pnl n ARG 651 Ca 0.08 -4.02 -0.15 0.00 -0.77 0.00 0.00 57.85 52.99 2pnl n ARG 651 Cb 0.33 -2.88 -0.14 0.00 -1.02 0.00 0.00 32.46 28.75 2pnl n ARG 651 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2pnl s VAL 653 N 0.52 -0.23 -0.13 1.55 1.01 -0.11 -4.46 120.40 118.55 2pnl s VAL 653 Ca 0.39 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 2pnl s VAL 653 Cb -0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2pnl s VAL 653 CO -0.02 0.11 0.09 -0.36 0.00 0.00 0.00 175.10 174.93 2pnl s PHE 654 N 1.98 3.41 -0.01 5.22 0.08 -0.53 -0.37 117.98 127.76 2pnl s PHE 654 Ca -0.01 0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.39 2pnl s PHE 654 Cb -0.12 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 2pnl s PHE 654 CO -0.07 0.51 -0.01 -0.08 -0.10 0.00 0.00 175.22 175.47 2pnl s THR 655 N -0.55 0.19 0.00 0.64 -1.32 -0.56 -4.13 115.64 109.91 2pnl s THR 655 Ca 0.11 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2pnl s THR 655 Cb -0.12 -0.22 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 2pnl s THR 655 CO 0.02 0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 2pnl n GLY 656 N 3.53 4.11 3.76 6.08 0.00 -1.01 -4.34 105.19 117.33 2pnl n GLY 656 Ca -0.19 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.76 4.38 -0.04 1.61 2.12 -0.88 -0.74 118.70 122.39 2pnl s GLU 657 Ca 0.00 0.87 -0.23 0.00 0.36 0.00 0.00 54.97 55.97 2pnl s GLU 657 Cb 0.00 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2pnl s GLU 657 CO 0.00 0.39 0.67 0.42 -0.54 0.00 0.00 175.26 176.19 2pnl s ILE 658 N -0.32 4.99 1.16 -3.70 -1.09 -1.26 0.14 121.20 121.12 2pnl s ILE 658 Ca 0.33 1.38 -0.16 0.00 -2.23 0.00 0.00 60.65 59.98 2pnl s ILE 658 Cb -0.19 -4.01 0.27 0.00 -1.58 0.00 0.00 42.46 36.95 2pnl s ILE 658 CO 0.20 0.31 1.06 0.00 -1.23 0.00 0.00 174.94 175.27 2pnl s ALA 659 N 0.47 0.20 0.24 9.38 0.00 -0.05 -4.89 121.76 127.11 2pnl s ALA 659 Ca 0.35 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 2pnl s ALA 659 Cb -0.18 -3.06 0.38 0.00 0.00 0.00 0.00 23.12 20.26 2pnl s ALA 659 CO 0.18 -3.58 1.81 -0.44 0.00 0.00 0.00 175.76 173.73 2pnl h ASP 660 N -2.50 0.66 0.00 0.00 3.32 -1.99 -0.52 116.42 115.39 2pnl h ASP 660 Ca -0.53 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2pnl h ASP 660 Cb 1.33 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2pnl h ASP 660 CO 0.46 0.38 0.01 -0.90 -1.72 0.00 0.00 179.24 177.47 2pnl n ASP 661 N -4.75 0.00 -0.95 6.45 5.68 -1.26 -4.80 116.55 116.92 2pnl n ASP 661 Ca 0.13 0.41 -0.12 0.00 -0.50 0.00 0.00 54.79 54.70 2pnl n ASP 661 Cb 0.26 -0.41 -0.05 0.00 -1.14 0.00 0.00 41.12 39.78 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 -1.41 -1.22 0.05 0.11 1.02 -0.20 -4.74 120.64 114.25 2pnl n GLU 662 Ca 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 2pnl n GLU 662 Cb 0.01 -5.08 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 2pnl n GLU 662 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2pnl n GLU 663 N -1.93 0.00 -2.06 3.49 4.07 -1.26 -4.87 120.64 118.07 2pnl n GLU 663 Ca -0.12 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.56 2pnl n GLU 663 Cb 0.50 -0.29 -0.03 0.00 -0.06 0.00 0.00 31.44 31.55 2pnl n GLU 663 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2pnl s THR 664 N -2.00 3.03 -0.14 6.31 2.01 -1.26 -2.19 115.64 121.40 2pnl s THR 664 Ca 0.00 0.72 -0.19 0.00 0.31 0.00 0.00 61.69 62.53 2pnl s THR 664 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2pnl s THR 664 CO 0.00 0.05 0.52 -0.63 -0.69 0.00 0.00 174.62 173.87 2pnl s ILE 665 N 1.25 5.14 -0.16 1.82 1.01 -1.24 -0.87 121.20 128.15 2pnl s ILE 665 Ca 0.67 1.02 -0.08 0.00 0.00 0.00 0.00 60.65 62.26 2pnl s ILE 665 Cb -0.40 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2pnl s ILE 665 CO 0.31 0.27 0.10 -0.63 0.00 0.00 0.00 174.94 174.98 2pnl s ILE 666 N 0.96 5.13 0.52 2.92 1.01 0.36 -4.89 121.20 127.22 2pnl s ILE 666 Ca 0.27 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 2pnl s ILE 666 Cb -0.15 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.97 2pnl s ILE 666 CO 0.11 0.51 1.38 -2.65 0.00 0.00 0.00 174.94 174.29 2pnl n PRO 667 N 2.96 1.83 -4.21 2.79 -0.02 -1.26 -2.07 135.00 135.02 2pnl n PRO 667 Ca -0.18 0.67 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 2pnl n PRO 667 Cb 0.53 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.26 1.89 0.24 4.25 -5.25 -1.26 -4.79 121.20 115.01 2pnl s ILE 668 Ca 0.69 -1.72 -0.21 0.00 -0.99 0.00 0.00 60.65 58.42 2pnl s ILE 668 Cb -0.42 -2.60 -0.09 0.00 2.95 0.00 0.00 42.46 42.30 2pnl s ILE 668 CO 0.51 0.00 0.77 0.00 -1.79 0.00 0.00 174.94 174.43 2pnl n GLY 670 N 0.74 0.05 0.31 0.00 0.00 -1.26 -4.95 105.19 100.07 2pnl n GLY 670 Ca -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.31 1.23 -0.17 1.61 3.04 -1.94 -1.75 116.25 116.95 2pnl h VAL 671 Ca -0.33 -0.81 -0.00 0.00 -1.01 0.00 0.00 66.70 64.55 2pnl h VAL 671 Cb 1.20 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2pnl h VAL 671 CO 0.30 0.31 0.10 0.44 -1.01 0.00 0.00 177.57 177.70 2pnl h ASP 672 N 0.84 0.21 -0.49 3.17 3.32 -1.92 -0.35 116.42 121.20 2pnl h ASP 672 Ca 0.19 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2pnl h ASP 672 Cb 0.28 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2pnl h ASP 672 CO -0.00 0.22 -0.12 0.40 -1.72 0.00 0.00 179.24 178.02 2pnl h ILE 673 N 0.19 1.27 -0.72 0.35 2.04 -1.91 -2.06 117.51 116.65 2pnl h ILE 673 Ca 0.06 -1.26 0.13 0.00 1.00 0.00 0.00 64.86 64.79 2pnl h ILE 673 Cb 0.05 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 2pnl h ILE 673 CO -0.01 0.44 0.29 0.00 0.00 0.00 0.00 178.15 178.87 2pnl h ALA 674 N 0.98 1.00 -0.39 1.87 0.00 -1.16 -2.71 119.26 118.85 2pnl h ALA 674 Ca 0.14 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2pnl h ALA 674 Cb 0.67 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2pnl h ALA 674 CO 0.05 -0.19 0.10 0.00 0.00 0.00 0.00 179.25 179.21 2pnl h ALA 675 N 1.51 0.51 -0.14 0.00 0.00 -0.49 -1.24 119.26 119.41 2pnl h ALA 675 Ca 0.39 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2pnl h ALA 675 Cb 0.55 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2pnl h ALA 675 CO -0.37 0.18 -0.14 0.82 0.00 0.00 0.00 179.25 179.74 2pnl h ILE 676 N 0.48 0.63 -0.42 0.00 2.04 -1.21 0.43 117.51 119.46 2pnl h ILE 676 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 2pnl h ILE 676 Cb 0.30 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2pnl h ILE 676 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.31 2pnl h ALA 677 N 0.92 0.51 0.51 1.87 0.00 -1.27 0.47 119.26 122.26 2pnl h ALA 677 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2pnl h ALA 677 Cb 0.30 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2pnl h ALA 677 CO -0.24 -0.23 -0.25 0.00 0.00 0.00 0.00 179.25 178.54 2pnl h ALA 678 N 1.27 -0.69 -0.75 0.00 0.00 -0.99 -3.06 119.26 115.05 2pnl h ALA 678 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pnl h ALA 678 Cb 0.17 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2pnl h ALA 678 CO -0.19 -0.86 0.49 0.45 0.00 0.00 0.00 179.25 179.14 2pnl h HIS 679 N -0.73 0.94 -0.21 0.00 -0.00 -0.76 0.43 115.15 114.83 2pnl h HIS 679 Ca -0.07 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.38 2pnl h HIS 679 Cb 0.55 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2pnl h HIS 679 CO -0.03 0.59 0.20 1.49 -0.00 0.00 0.00 177.93 180.18 2pnl h GLU 680 N 1.01 0.00 -0.68 2.45 4.81 -0.86 0.56 114.58 121.87 2pnl h GLU 680 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2pnl h GLU 680 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2pnl h GLU 680 CO -0.06 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.26 2pnl n GLN 681 N -3.95 3.15 -3.57 1.92 6.02 0.07 -4.96 117.38 116.05 2pnl n GLN 681 Ca 0.02 -2.63 -0.21 0.00 -0.01 0.00 0.00 57.00 54.17 2pnl n GLN 681 Cb 0.33 -1.72 0.07 0.00 1.02 0.00 0.00 30.24 29.94 2pnl n GLN 681 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnl n GLY 682 N 1.35 -0.40 3.22 1.08 0.00 0.20 -5.00 105.19 105.64 2pnl n GLY 682 Ca 0.24 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 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 -6.75 2.16 0.55 0.99 1.43 -0.73 -4.98 118.68 111.35 2pnl s LEU 683 Ca 0.21 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 2pnl s LEU 683 Cb -0.09 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 2pnl s LEU 683 CO 0.76 0.13 1.07 -2.16 0.23 0.00 0.00 176.35 176.38 2pnl s PRO 684 N -1.13 3.42 -0.21 1.29 0.04 -1.26 -3.25 135.00 133.90 2pnl s PRO 684 Ca 0.06 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2pnl s PRO 684 Cb -0.08 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2pnl s PRO 684 CO 0.02 -0.75 0.17 -1.17 0.04 0.00 0.00 177.00 175.31 2pnl s LEU 685 N -4.06 4.19 -0.17 -3.56 2.96 -1.26 -0.93 118.68 115.84 2pnl s LEU 685 Ca 0.67 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 2pnl s LEU 685 Cb -0.18 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.39 2pnl s LEU 685 CO 0.30 0.13 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.67 2pnl s ILE 686 N 0.60 1.77 0.00 6.68 -1.09 0.51 -0.29 121.20 129.37 2pnl s ILE 686 Ca 0.09 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2pnl s ILE 686 Cb -0.12 -1.68 0.00 0.00 -1.58 0.00 0.00 42.46 39.08 2pnl s ILE 686 CO 0.01 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 2pnl n GLY 687 N 4.69 2.19 2.82 6.18 0.00 -1.14 -1.50 105.19 118.44 2pnl n GLY 687 Ca -0.18 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.46 5.01 -3.54 1.61 4.05 -1.26 -1.27 115.26 119.41 2pnl n ASN 688 Ca 0.00 -3.70 -0.08 0.00 0.45 0.00 0.00 54.58 51.25 2pnl n ASN 688 Cb 0.00 -0.64 -0.03 0.00 1.23 0.00 0.00 39.78 40.34 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 0.65 0.37 1.20 -2.07 -1.26 -4.51 119.66 110.42 2pnl s GLN 689 Ca 0.48 -0.14 -0.27 0.00 -1.82 0.00 0.00 55.36 53.60 2pnl s GLN 689 Cb 0.30 0.30 -0.11 0.00 -1.09 0.00 0.00 33.01 32.40 2pnl s GLN 689 CO -0.16 -0.26 1.34 -2.30 -1.32 0.00 0.00 175.29 172.58 2pnl n PRO 690 N 0.06 2.22 0.00 9.60 -0.02 -1.26 -2.92 135.00 142.67 2pnl n PRO 690 Ca -0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2pnl n PRO 690 Cb 0.60 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2pnl n PRO 690 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnl n GLY 691 N 0.70 2.35 3.88 -1.23 0.00 -1.26 -4.96 105.19 104.67 2pnl n GLY 691 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2pnl n GLY 691 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pnl s VAL 692 N -2.21 4.78 0.03 1.61 -7.23 -1.15 -4.87 120.40 111.35 2pnl s VAL 692 Ca 0.00 0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 60.70 2pnl s VAL 692 Cb 0.00 -3.86 -0.33 0.00 0.56 0.00 0.00 36.38 32.75 2pnl s VAL 692 CO 0.00 -1.02 0.97 0.44 -0.31 0.00 0.00 175.10 175.19 2pnl h ASP 693 N -0.05 0.69 -3.30 4.85 3.32 -1.00 -3.45 116.42 117.48 2pnl h ASP 693 Ca -0.45 -0.78 -0.44 0.00 0.02 0.00 0.00 57.03 55.38 2pnl h ASP 693 Cb 1.19 -0.22 -0.37 0.00 0.22 0.00 0.00 39.33 40.15 2pnl h ASP 693 CO 0.62 1.62 -0.77 -1.61 -1.72 0.00 0.00 179.24 177.38 2pnl s GLU 694 N -2.61 0.73 0.07 3.56 2.02 -1.06 -5.00 118.70 116.41 2pnl s GLU 694 Ca -0.09 0.03 -0.22 0.00 0.02 0.00 0.00 54.97 54.71 2pnl s GLU 694 Cb 0.05 -0.98 -0.07 0.00 0.10 0.00 0.00 34.13 33.23 2pnl s GLU 694 CO 0.91 -0.25 0.66 -1.21 0.02 0.00 0.00 175.26 175.40 2pnl s GLU 695 N 1.69 4.37 -0.16 1.61 2.02 -1.26 -2.87 118.70 124.09 2pnl s GLU 695 Ca 0.01 0.89 -0.00 0.00 0.02 0.00 0.00 54.97 55.89 2pnl s GLU 695 Cb -0.13 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.85 2pnl s GLU 695 CO -0.04 0.51 -0.08 0.14 0.02 0.00 0.00 175.26 175.80 2pnl s VAL 696 N -0.75 1.29 0.49 2.63 -7.23 -0.40 -4.96 120.40 111.48 2pnl s VAL 696 Ca 0.33 -0.66 0.14 0.00 -1.81 0.00 0.00 61.98 59.98 2pnl s VAL 696 Cb -0.20 -1.37 0.27 0.00 0.56 0.00 0.00 36.38 35.64 2pnl s VAL 696 CO 0.21 0.23 2.12 -0.09 -0.31 0.00 0.00 175.10 177.26 2pnl h ARG 697 N 8.09 0.13 -3.40 4.82 1.12 -1.96 -3.35 114.38 119.83 2pnl h ARG 697 Ca -0.28 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.51 2pnl h ARG 697 Cb 1.11 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 31.00 2pnl h ARG 697 CO 0.44 0.08 0.08 0.54 -3.11 0.00 0.00 179.97 178.00 2pnl s ASN 698 N -6.95 0.18 0.45 -3.80 2.20 -1.26 -3.66 114.94 102.09 2pnl s ASN 698 Ca -0.06 -1.11 0.21 0.00 -0.94 0.00 0.00 52.86 50.96 2pnl s ASN 698 Cb 0.17 0.74 1.05 0.00 -2.00 0.00 0.00 41.25 41.21 2pnl s ASN 698 CO 0.69 -1.44 1.93 0.71 -2.94 0.00 0.00 177.10 176.04 2pnl h THR 699 N 2.07 0.85 -0.21 0.54 1.35 -1.78 -2.30 112.91 113.45 2pnl h THR 699 Ca -0.28 -0.94 -0.05 0.00 -0.55 0.00 0.00 66.41 64.59 2pnl h THR 699 Cb 1.25 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2pnl h THR 699 CO 0.36 0.24 -0.06 0.77 -0.25 0.00 0.00 175.52 176.59 2pnl h SER 700 N 0.00 0.40 -0.74 5.36 4.64 -1.96 0.13 113.55 121.38 2pnl h SER 700 Ca -0.00 -0.37 0.05 0.00 -0.47 0.00 0.00 61.79 60.99 2pnl h SER 700 Cb 0.54 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.47 2pnl h SER 700 CO 0.03 0.68 0.45 -0.07 -0.87 0.00 0.00 176.83 177.05 2pnl h LEU 701 N 0.12 0.71 -0.91 5.97 3.38 -1.90 0.45 115.31 123.13 2pnl h LEU 701 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2pnl h LEU 701 Cb 0.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2pnl h LEU 701 CO 0.02 0.48 0.27 0.00 0.09 0.00 0.00 178.44 179.29 2pnl h ALA 702 N 1.34 1.13 -0.21 1.53 0.00 -1.37 0.20 119.26 121.88 2pnl h ALA 702 Ca 0.31 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 2pnl h ALA 702 Cb 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pnl h ALA 702 CO -0.14 0.62 -0.62 0.00 0.00 0.00 0.00 179.25 179.11 2pnl h ALA 703 N 1.25 0.50 -0.03 0.00 0.00 0.05 -1.74 119.26 119.29 2pnl h ALA 703 Ca 0.24 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2pnl h ALA 703 Cb 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2pnl h ALA 703 CO -0.02 0.69 -0.32 1.25 0.00 0.00 0.00 179.25 180.85 2pnl h HIS 704 N 0.55 -0.88 -0.87 0.00 6.17 0.23 -1.91 115.15 118.43 2pnl h HIS 704 Ca -0.01 0.03 0.17 0.00 0.71 0.00 0.00 60.37 61.27 2pnl h HIS 704 Cb 1.21 0.39 -0.10 0.00 2.52 0.00 0.00 27.41 31.43 2pnl h HIS 704 CO 0.07 -0.41 0.44 1.25 0.71 0.00 0.00 177.93 179.99 2pnl h LEU 705 N -0.45 0.51 -0.85 0.26 6.46 -0.40 0.19 115.31 121.04 2pnl h LEU 705 Ca 0.07 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2pnl h LEU 705 Cb 0.55 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 2pnl h LEU 705 CO -0.28 0.18 0.52 0.40 -0.62 0.00 0.00 178.44 178.64 2pnl h ILE 706 N 0.59 1.23 -0.27 4.05 2.04 -0.81 0.21 117.51 124.55 2pnl h ILE 706 Ca 0.49 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2pnl h ILE 706 Cb 0.76 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2pnl h ILE 706 CO -0.40 0.24 0.05 1.56 0.00 0.00 0.00 178.15 179.60 2pnl h GLN 707 N 1.16 0.45 0.00 2.37 4.20 -0.23 -3.14 115.11 119.92 2pnl h GLN 707 Ca 0.30 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 2pnl h GLN 707 Cb -0.06 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2pnl h GLN 707 CO -0.06 0.56 -0.38 1.79 -0.67 0.00 0.00 178.83 180.07 2pnl h THR 708 N 0.27 0.93 0.00 -0.54 1.35 -1.11 -3.47 112.91 110.33 2pnl h THR 708 Ca 0.08 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 2pnl h THR 708 Cb 0.33 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2pnl h THR 708 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2pnl n GLY 709 N 0.18 1.44 3.50 5.82 0.00 0.71 -4.88 105.19 111.96 2pnl n GLY 709 Ca -0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.06 1.20 0.10 2.61 -4.23 -1.26 -4.93 115.64 109.06 2pnl s THR 710 Ca 0.00 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 2pnl s THR 710 Cb 0.00 -2.72 -0.06 0.00 1.34 0.00 0.00 72.50 71.06 2pnl s THR 710 CO 0.00 0.00 1.12 -0.22 -0.54 0.00 0.00 174.62 174.98 2pnl s LEU 711 N -3.55 4.42 0.42 4.79 2.96 -1.26 -4.95 118.68 121.50 2pnl s LEU 711 Ca 0.33 1.99 -0.26 0.00 -0.22 0.00 0.00 54.13 55.97 2pnl s LEU 711 Cb 0.08 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.08 2pnl s LEU 711 CO 0.15 -0.33 1.33 -2.65 -1.32 0.00 0.00 176.35 173.52 2pnl n PRO 712 N 3.27 2.08 -4.16 0.98 -0.02 -1.26 -5.01 135.00 130.89 2pnl n PRO 712 Ca 0.06 0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 61.94 2pnl n PRO 712 Cb 0.47 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.18 4.70 -0.18 -1.45 1.01 -1.26 -5.11 120.40 116.94 2pnl s VAL 713 Ca 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 2pnl s VAL 713 Cb -0.50 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 2pnl s VAL 713 CO 0.59 0.47 -0.12 -1.10 0.00 0.00 0.00 175.10 174.94 2pnl s GLN 714 N -1.36 3.24 -0.18 2.72 -0.21 -1.26 -5.11 119.66 117.50 2pnl s GLN 714 Ca 0.19 -0.72 -0.00 0.00 0.02 0.00 0.00 55.36 54.84 2pnl s GLN 714 Cb -0.12 -2.74 0.04 0.00 1.00 0.00 0.00 33.01 31.19 2pnl s GLN 714 CO 0.09 -0.09 -0.06 1.03 -2.12 0.00 0.00 175.29 174.14 2pnl s ARG 715 N 1.10 1.57 0.00 2.91 1.81 -1.26 -5.34 118.95 119.74 2pnl s ARG 715 Ca 0.00 -0.64 0.28 0.00 -1.72 0.00 0.00 55.73 53.65 2pnl s ARG 715 Cb -0.14 -2.17 1.68 0.00 -0.45 0.00 0.00 34.95 33.87 2pnl s ARG 715 CO -0.04 -0.46 2.02 0.00 -0.68 0.00 0.00 175.30 176.15