#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfi h HIS 543 N 0.00 0.00 0.00 0.66 -0.00 -1.96 -1.09 115.15 112.76 2pfi h HIS 543 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2pfi h HIS 543 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2pfi h HIS 543 CO 0.00 0.09 -1.31 -2.39 -0.00 0.00 0.00 177.93 174.32 2pfi n HIS 544 N -2.86 0.73 -3.11 2.45 1.44 -1.26 -4.85 115.22 107.77 2pfi n HIS 544 Ca 0.00 0.22 -0.39 0.00 -2.01 0.00 0.00 57.72 55.54 2pfi n HIS 544 Cb 0.58 -0.87 -0.05 0.00 0.12 0.00 0.00 29.99 29.78 2pfi n HIS 544 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2pfi s VAL 545 N -3.34 4.93 0.26 0.61 1.01 -1.26 -5.01 120.40 117.61 2pfi s VAL 545 Ca -0.03 1.38 0.10 0.00 0.00 0.00 0.00 61.98 63.43 2pfi s VAL 545 Cb 0.10 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2pfi s VAL 545 CO 0.82 0.34 -0.03 -0.13 0.00 0.00 0.00 175.10 176.11 2pfi s ARG 546 N 0.23 2.23 0.33 2.72 0.52 -1.26 -0.33 118.95 123.39 2pfi s ARG 546 Ca 0.35 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.20 2pfi s ARG 546 Cb -0.18 -2.14 0.76 0.00 0.52 0.00 0.00 34.95 33.91 2pfi s ARG 546 CO 0.18 0.37 1.85 0.28 0.02 0.00 0.00 175.30 178.00 2pfi h VAL 547 N 1.99 0.83 0.00 3.52 2.07 -0.44 0.16 116.25 124.38 2pfi h VAL 547 Ca -0.44 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2pfi h VAL 547 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2pfi h VAL 547 CO 0.60 0.14 0.00 1.05 0.02 0.00 0.00 177.57 179.38 2pfi h GLU 548 N 0.76 0.00 -0.03 1.57 4.11 -1.50 0.19 114.58 119.67 2pfi h GLU 548 Ca 0.48 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.73 2pfi h GLU 548 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2pfi h GLU 548 CO -0.24 0.00 -0.77 0.45 0.07 0.00 0.00 179.01 178.52 2pfi h HIS 549 N 0.00 0.37 0.00 2.06 3.86 -1.24 -3.38 115.15 116.83 2pfi h HIS 549 Ca 0.00 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2pfi h HIS 549 Cb 0.03 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2pfi h HIS 549 CO 0.00 0.94 0.00 1.97 0.86 0.00 0.00 177.93 181.70 2pfi n PHE 550 N -3.76 0.00 -1.42 2.45 1.16 -0.74 -5.07 117.46 110.08 2pfi n PHE 550 Ca -0.04 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.21 2pfi n PHE 550 Cb 0.73 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.69 2pfi n PHE 550 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2pfi s MET 551 N -0.01 2.21 -0.23 3.97 0.23 -0.02 -4.83 119.30 120.61 2pfi s MET 551 Ca 0.00 1.54 -0.24 0.00 -1.03 0.00 0.00 55.69 55.96 2pfi s MET 551 Cb 0.00 -1.86 -0.01 0.00 -1.53 0.00 0.00 34.83 31.43 2pfi s MET 551 CO 0.00 -1.73 0.81 1.21 -2.03 0.00 0.00 175.02 173.28 2pfi s ASN 552 N -2.46 6.83 0.00 -1.18 2.47 0.22 -4.89 114.94 115.93 2pfi s ASN 552 Ca 0.69 1.03 0.27 0.00 0.42 0.00 0.00 52.86 55.27 2pfi s ASN 552 Cb -0.24 -2.43 0.82 0.00 -1.45 0.00 0.00 41.25 37.95 2pfi s ASN 552 CO 0.47 -0.49 1.63 1.41 -3.72 0.00 0.00 177.10 176.41 2pfi n HIS 553 N 5.86 0.00 -1.13 0.43 8.25 -1.26 -1.57 115.22 125.80 2pfi n HIS 553 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 2pfi n HIS 553 Cb 0.48 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 2pfi n HIS 553 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2pfi n SER 554 N -1.47 7.50 -4.55 0.41 7.64 -1.26 -4.87 113.62 117.03 2pfi n SER 554 Ca 0.06 -2.49 -0.29 0.00 1.01 0.00 0.00 58.87 57.17 2pfi n SER 554 Cb 0.33 -1.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.01 2pfi n SER 554 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2pfi s ILE 555 N 2.42 3.15 -0.26 0.44 -4.36 -1.26 -5.04 121.20 116.29 2pfi s ILE 555 Ca 0.61 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 59.57 2pfi s ILE 555 Cb 0.17 -2.49 0.05 0.00 1.25 0.00 0.00 42.46 41.44 2pfi s ILE 555 CO -0.05 0.05 -0.09 -0.89 0.24 0.00 0.00 174.94 174.20 2pfi s THR 556 N -1.32 2.39 0.27 8.37 2.01 -1.26 -5.06 115.64 121.04 2pfi s THR 556 Ca 0.21 -1.51 -0.18 0.00 0.31 0.00 0.00 61.69 60.52 2pfi s THR 556 Cb -0.10 -2.37 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 2pfi s THR 556 CO 0.13 -0.01 0.74 0.42 -0.69 0.00 0.00 174.62 175.21 2pfi s THR 557 N 1.16 4.60 -0.10 -0.82 -4.23 -1.26 -4.32 115.64 110.66 2pfi s THR 557 Ca -0.07 1.15 0.02 0.00 -1.18 0.00 0.00 61.69 61.62 2pfi s THR 557 Cb -0.19 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 69.89 2pfi s THR 557 CO -0.04 0.02 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.11 2pfi s LEU 558 N -2.46 2.40 0.20 4.79 1.43 -0.67 -4.99 118.68 119.38 2pfi s LEU 558 Ca 0.49 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2pfi s LEU 558 Cb -0.14 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2pfi s LEU 558 CO 0.19 0.18 0.13 0.00 0.23 0.00 0.00 176.35 177.08 2pfi s ALA 559 N 0.21 3.49 0.53 4.21 0.00 -1.26 -0.66 121.76 128.28 2pfi s ALA 559 Ca -0.12 -1.34 0.20 0.00 0.00 0.00 0.00 51.96 50.70 2pfi s ALA 559 Cb -0.16 -1.24 1.34 0.00 0.00 0.00 0.00 23.12 23.06 2pfi s ALA 559 CO 0.06 0.40 2.11 0.87 0.00 0.00 0.00 175.76 179.20 2pfi h LYS 560 N 2.10 0.00 -0.61 0.00 1.57 -1.53 -1.45 116.57 116.65 2pfi h LYS 560 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2pfi h LYS 560 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2pfi h LYS 560 CO 0.61 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 2pfi n ASP 561 N -4.44 5.10 -4.71 0.86 5.75 -1.26 -0.94 116.55 116.90 2pfi n ASP 561 Ca 0.01 -2.63 -0.42 0.00 -0.01 0.00 0.00 54.79 51.73 2pfi n ASP 561 Cb 0.24 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 2pfi n ASP 561 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pfi s THR 562 N -2.20 3.57 0.37 2.12 2.01 -0.54 -4.81 115.64 116.17 2pfi s THR 562 Ca 0.52 1.08 -0.27 0.00 0.31 0.00 0.00 61.69 63.33 2pfi s THR 562 Cb 0.36 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 69.07 2pfi s THR 562 CO 0.21 0.05 1.36 -2.65 -0.69 0.00 0.00 174.62 172.90 2pfi n PRO 563 N 4.46 2.27 0.01 4.92 -0.02 -1.26 -1.15 135.00 144.22 2pfi n PRO 563 Ca 0.12 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.51 2pfi n PRO 563 Cb 0.43 -2.46 0.55 0.00 -0.02 0.00 0.00 33.50 32.00 2pfi n PRO 563 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2pfi h LEU 564 N 2.58 0.25 -0.81 2.45 5.85 -1.36 -0.42 115.31 123.86 2pfi h LEU 564 Ca -0.48 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 2pfi h LEU 564 Cb 1.27 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 2pfi h LEU 564 CO 0.62 0.16 0.35 -0.08 -0.34 0.00 0.00 178.44 179.16 2pfi h GLU 565 N 0.29 1.19 -0.23 1.25 4.57 -1.89 -1.36 114.58 118.40 2pfi h GLU 565 Ca 0.20 -0.20 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 2pfi h GLU 565 Cb 0.43 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2pfi h GLU 565 CO -0.04 0.94 -0.47 1.49 -1.18 0.00 0.00 179.01 179.75 2pfi h GLU 566 N 1.16 0.59 -0.48 1.92 4.57 -1.47 -2.44 114.58 118.43 2pfi h GLU 566 Ca 0.27 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2pfi h GLU 566 Cb 0.18 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2pfi h GLU 566 CO -0.03 0.94 0.28 0.28 -1.18 0.00 0.00 179.01 179.29 2pfi h VAL 567 N 0.47 1.16 -0.64 0.32 2.07 -0.83 -0.65 116.25 118.17 2pfi h VAL 567 Ca 0.03 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2pfi h VAL 567 Cb 1.00 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2pfi h VAL 567 CO 0.09 0.17 0.40 0.58 0.02 0.00 0.00 177.57 178.83 2pfi h VAL 568 N 0.64 1.18 -0.66 2.57 2.07 -1.13 -0.76 116.25 120.15 2pfi h VAL 568 Ca 0.17 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2pfi h VAL 568 Cb 0.03 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 2pfi h VAL 568 CO -0.03 0.18 0.37 0.50 0.02 0.00 0.00 177.57 178.61 2pfi h LYS 569 N 0.86 0.91 -0.03 1.57 3.64 -1.04 -1.48 116.57 120.99 2pfi h LYS 569 Ca 0.23 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2pfi h LYS 569 Cb -0.06 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2pfi h LYS 569 CO -0.05 0.67 0.01 0.28 -2.27 0.00 0.00 179.45 178.10 2pfi h VAL 570 N 0.90 1.12 -0.79 2.00 2.07 -0.67 -2.45 116.25 118.43 2pfi h VAL 570 Ca 0.23 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2pfi h VAL 570 Cb 0.02 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2pfi h VAL 570 CO -0.04 0.10 0.41 0.58 0.02 0.00 0.00 177.57 178.64 2pfi h VAL 571 N -0.10 1.24 -0.05 2.57 2.07 -1.01 -2.28 116.25 118.69 2pfi h VAL 571 Ca 0.01 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2pfi h VAL 571 Cb 0.15 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2pfi h VAL 571 CO -0.00 0.27 0.00 0.35 0.02 0.00 0.00 177.57 178.21 2pfi n THR 572 N -4.34 0.06 -0.05 2.57 -2.24 -0.57 -3.62 114.28 106.10 2pfi n THR 572 Ca 0.08 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2pfi n THR 572 Cb 0.11 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2pfi n THR 572 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pfi n SER 573 N -0.23 1.09 -4.31 3.42 3.41 -0.93 -5.04 113.62 111.03 2pfi n SER 573 Ca 0.18 -1.14 -0.17 0.00 -0.26 0.00 0.00 58.87 57.48 2pfi n SER 573 Cb 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 2pfi n SER 573 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pfi s THR 574 N -0.14 1.26 -0.03 6.66 -4.23 -0.90 -5.05 115.64 113.20 2pfi s THR 574 Ca 0.00 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.47 2pfi s THR 574 Cb 0.00 -2.12 0.07 0.00 1.34 0.00 0.00 72.50 71.79 2pfi s THR 574 CO 0.00 -0.53 0.90 -0.90 -0.54 0.00 0.00 174.62 173.56 2pfi n ASP 575 N -0.34 1.11 -4.73 3.99 5.75 -1.26 -4.88 116.55 116.19 2pfi n ASP 575 Ca -0.08 -2.00 -0.33 0.00 -0.01 0.00 0.00 54.79 52.38 2pfi n ASP 575 Cb 0.62 -0.15 0.10 0.00 -1.03 0.00 0.00 41.12 40.67 2pfi n ASP 575 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2pfi s VAL 576 N -0.96 2.57 0.04 2.12 -7.23 -1.26 -4.94 120.40 110.75 2pfi s VAL 576 Ca 0.08 0.24 0.11 0.00 -1.81 0.00 0.00 61.98 60.60 2pfi s VAL 576 Cb 0.07 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 2pfi s VAL 576 CO 0.01 -0.19 1.41 0.00 -0.31 0.00 0.00 175.10 176.02 2pfi h THR 577 N -0.77 1.31 -3.53 5.32 1.03 -1.98 -3.43 112.91 110.87 2pfi h THR 577 Ca -0.46 -2.69 -0.06 0.00 -0.01 0.00 0.00 66.41 63.19 2pfi h THR 577 Cb 1.27 2.54 -0.13 0.00 -1.07 0.00 0.00 68.15 70.77 2pfi h THR 577 CO 0.49 0.71 -0.15 -1.83 -0.01 0.00 0.00 175.52 174.73 2pfi s GLU 578 N -2.97 1.08 0.03 0.00 -1.05 -1.26 -0.95 118.70 113.58 2pfi s GLU 578 Ca 0.02 -0.84 0.07 0.00 -0.15 0.00 0.00 54.97 54.06 2pfi s GLU 578 Cb 0.09 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 2pfi s GLU 578 CO 0.78 -0.41 -0.20 0.71 0.95 0.00 0.00 175.26 177.08 2pfi s TYR 579 N -3.85 1.74 0.12 4.83 1.51 0.47 -4.89 117.35 117.29 2pfi s TYR 579 Ca 0.06 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 2pfi s TYR 579 Cb 0.02 -1.06 -0.06 0.00 -0.11 0.00 0.00 41.96 40.75 2pfi s TYR 579 CO -0.09 0.05 1.03 -1.25 -1.11 0.00 0.00 175.55 174.18 2pfi s PRO 580 N -0.96 4.63 -0.19 -1.71 0.04 -1.26 -1.19 135.00 134.36 2pfi s PRO 580 Ca 0.07 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2pfi s PRO 580 Cb -0.08 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 2pfi s PRO 580 CO 0.01 0.11 0.22 -1.17 0.04 0.00 0.00 177.00 176.21 2pfi s LEU 581 N 0.04 4.20 0.20 -3.56 2.96 0.43 -1.67 118.68 121.29 2pfi s LEU 581 Ca 0.49 0.34 0.10 0.00 -0.22 0.00 0.00 54.13 54.83 2pfi s LEU 581 Cb -0.26 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2pfi s LEU 581 CO 0.31 0.11 -0.11 0.68 -1.32 0.00 0.00 176.35 176.03 2pfi s VAL 582 N 0.58 3.08 0.15 1.68 -7.23 0.17 -0.68 120.40 118.14 2pfi s VAL 582 Ca 0.12 -1.81 -0.17 0.00 -1.81 0.00 0.00 61.98 58.31 2pfi s VAL 582 Cb -0.12 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2pfi s VAL 582 CO 0.02 -0.18 1.74 -0.08 -0.31 0.00 0.00 175.10 176.29 2pfi h GLU 583 N 2.71 0.21 -3.52 4.82 4.57 -0.97 -2.54 114.58 119.86 2pfi h GLU 583 Ca -0.46 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 57.65 2pfi h GLU 583 Cb 1.22 -0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 29.63 2pfi h GLU 583 CO 0.55 0.14 -0.15 -1.54 -1.18 0.00 0.00 179.01 176.84 2pfi s SER 584 N -5.33 -0.13 0.32 1.04 1.04 -1.26 -3.69 113.70 105.68 2pfi s SER 584 Ca -0.13 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2pfi s SER 584 Cb 0.11 0.46 0.52 0.00 0.10 0.00 0.00 66.02 67.21 2pfi s SER 584 CO 0.70 -0.87 1.92 0.74 0.98 0.00 0.00 173.24 176.71 2pfi h THR 585 N 2.44 1.20 -0.22 2.02 2.02 -1.91 -0.94 112.91 117.51 2pfi h THR 585 Ca -0.33 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 2pfi h THR 585 Cb 1.24 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2pfi h THR 585 CO 0.47 0.23 -0.21 -0.33 0.37 0.00 0.00 175.52 176.06 2pfi h GLU 586 N 0.81 0.52 0.15 6.66 5.08 -2.00 -3.35 114.58 122.45 2pfi h GLU 586 Ca 0.20 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 2pfi h GLU 586 Cb 0.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2pfi h GLU 586 CO -0.02 0.85 -1.47 0.66 -1.00 0.00 0.00 179.01 178.03 2pfi h SER 587 N 0.21 0.49 -1.31 1.42 4.64 -1.94 -3.48 113.55 113.58 2pfi h SER 587 Ca 0.04 -0.61 -0.40 0.00 -0.47 0.00 0.00 61.79 60.34 2pfi h SER 587 Cb 0.75 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 62.55 2pfi h SER 587 CO 0.05 1.49 -0.40 0.00 -0.87 0.00 0.00 176.83 177.11 2pfi n GLN 588 N -3.53 -1.42 -2.43 4.77 1.13 -0.37 -4.82 117.38 110.71 2pfi n GLN 588 Ca -0.15 1.15 -0.43 0.00 -1.94 0.00 0.00 57.00 55.64 2pfi n GLN 588 Cb 1.05 -5.54 -0.02 0.00 0.11 0.00 0.00 30.24 25.83 2pfi n GLN 588 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2pfi s ILE 589 N -2.79 4.26 0.06 5.09 -1.09 -1.26 -1.97 121.20 123.50 2pfi s ILE 589 Ca 0.00 1.55 -0.31 0.00 -2.23 0.00 0.00 60.65 59.66 2pfi s ILE 589 Cb 0.00 -4.00 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 2pfi s ILE 589 CO 0.00 -0.08 1.60 -0.22 -1.23 0.00 0.00 174.94 175.01 2pfi s LEU 590 N 3.00 4.36 0.00 2.97 2.96 -0.46 -0.28 118.68 131.23 2pfi s LEU 590 Ca 0.55 2.42 0.00 0.00 -0.22 0.00 0.00 54.13 56.88 2pfi s LEU 590 Cb -0.23 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.90 2pfi s LEU 590 CO 0.18 -0.85 0.09 1.33 -1.32 0.00 0.00 176.35 175.77 2pfi n VAL 591 N 4.70 0.00 -2.80 1.68 0.24 0.14 -4.89 118.33 117.42 2pfi n VAL 591 Ca 0.15 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2pfi n VAL 591 Cb 0.41 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 2pfi n VAL 591 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pfi n GLY 592 N 0.43 -1.30 2.90 7.63 0.00 -1.09 -4.69 105.19 109.07 2pfi n GLY 592 Ca 0.00 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2pfi n GLY 592 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfi s ILE 593 N -2.87 0.20 -0.09 -0.61 1.01 -0.27 -0.43 121.20 118.13 2pfi s ILE 593 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.62 2pfi s ILE 593 Cb 0.00 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.27 2pfi s ILE 593 CO 0.00 0.08 -0.23 0.54 0.00 0.00 0.00 174.94 175.32 2pfi s VAL 594 N 0.15 2.00 0.13 2.92 0.11 -0.33 0.24 120.40 125.62 2pfi s VAL 594 Ca -0.01 -0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 57.76 2pfi s VAL 594 Cb -0.04 -1.73 -0.06 0.00 -1.53 0.00 0.00 36.38 33.02 2pfi s VAL 594 CO -0.00 0.55 0.93 -1.10 -3.33 0.00 0.00 175.10 172.14 2pfi s GLN 595 N 0.32 4.70 0.19 1.54 -0.21 -1.26 -0.39 119.66 124.55 2pfi s GLN 595 Ca -0.17 1.41 -0.11 0.00 0.02 0.00 0.00 55.36 56.50 2pfi s GLN 595 Cb -0.17 -3.35 0.19 0.00 1.00 0.00 0.00 33.01 30.67 2pfi s GLN 595 CO 0.08 0.29 1.79 -0.09 -2.12 0.00 0.00 175.29 175.24 2pfi h ARG 596 N 5.26 0.53 -0.97 2.91 2.43 -1.31 -1.42 114.38 121.80 2pfi h ARG 596 Ca -0.44 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 2pfi h ARG 596 Cb 1.21 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 2pfi h ARG 596 CO 0.71 0.35 0.63 0.00 -1.51 0.00 0.00 179.97 180.15 2pfi h ALA 597 N 1.31 1.46 -0.30 2.80 0.00 -1.91 0.20 119.26 122.82 2pfi h ALA 597 Ca 0.26 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 2pfi h ALA 597 Cb 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2pfi h ALA 597 CO -0.18 0.39 -0.52 1.96 0.00 0.00 0.00 179.25 180.89 2pfi h GLN 598 N 1.11 0.88 -0.44 0.00 1.08 -1.78 -2.32 115.11 113.64 2pfi h GLN 598 Ca 0.43 -0.54 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 2pfi h GLN 598 Cb 0.22 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2pfi h GLN 598 CO -0.17 1.18 -0.19 1.25 -0.95 0.00 0.00 178.83 179.94 2pfi h LEU 599 N 0.68 0.88 -0.26 1.46 5.85 -0.50 -2.00 115.31 121.42 2pfi h LEU 599 Ca 0.02 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2pfi h LEU 599 Cb 1.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2pfi h LEU 599 CO 0.12 1.05 0.12 0.58 -0.34 0.00 0.00 178.44 179.96 2pfi h VAL 600 N 0.76 1.15 -0.68 1.05 2.07 -0.60 -1.46 116.25 118.54 2pfi h VAL 600 Ca 0.11 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2pfi h VAL 600 Cb 0.73 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2pfi h VAL 600 CO 0.06 0.15 0.41 1.56 0.02 0.00 0.00 177.57 179.77 2pfi h GLN 601 N 0.27 0.77 -0.76 1.57 4.20 -1.28 -0.44 115.11 119.44 2pfi h GLN 601 Ca 0.09 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2pfi h GLN 601 Cb 0.14 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2pfi h GLN 601 CO -0.01 0.51 0.28 0.00 -0.67 0.00 0.00 178.83 178.94 2pfi h ALA 602 N 1.32 1.00 -0.06 3.87 0.00 -1.13 -2.07 119.26 122.18 2pfi h ALA 602 Ca 0.29 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2pfi h ALA 602 Cb 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2pfi h ALA 602 CO -0.13 0.65 -0.52 -0.07 0.00 0.00 0.00 179.25 179.17 2pfi h LEU 603 N 1.12 0.19 -0.49 0.00 3.38 -0.72 -1.21 115.31 117.58 2pfi h LEU 603 Ca 0.25 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 2pfi h LEU 603 Cb 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2pfi h LEU 603 CO -0.02 0.67 -0.57 1.56 0.09 0.00 0.00 178.44 180.18 2pfi h GLN 604 N 0.13 0.57 -0.08 1.13 1.08 -0.85 -2.62 115.11 114.47 2pfi h GLN 604 Ca 0.00 -0.37 -0.16 0.00 -1.45 0.00 0.00 58.65 56.68 2pfi h GLN 604 Cb 0.96 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.45 2pfi h GLN 604 CO 0.08 0.98 -0.57 0.00 -0.95 0.00 0.00 178.83 178.37 2pfi h ALA 605 N 0.94 0.18 -2.67 3.87 0.00 -1.24 -3.38 119.26 116.96 2pfi h ALA 605 Ca 0.00 -0.53 -0.61 0.00 0.00 0.00 0.00 54.91 53.77 2pfi h ALA 605 Cb 1.12 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.50 2pfi h ALA 605 CO 0.11 0.41 -0.68 0.39 0.00 0.00 0.00 179.25 179.48 2pfi n GLU 606 N -4.19 1.66 -1.71 0.00 -0.58 -0.47 -5.10 120.64 110.24 2pfi n GLU 606 Ca -0.09 -4.23 -0.42 0.00 -0.42 0.00 0.00 57.16 52.01 2pfi n GLU 606 Cb 0.64 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 2pfi n GLU 606 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2pfi n PRO 607 N 1.78 2.13 -0.84 3.49 -0.04 -0.99 -4.67 135.00 135.88 2pfi n PRO 607 Ca 0.24 0.75 -0.29 0.00 -0.04 0.00 0.00 63.50 64.16 2pfi n PRO 607 Cb 0.40 -2.42 0.19 0.00 -0.04 0.00 0.00 33.50 31.63 2pfi n PRO 607 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2pfi s PRO 608 N -2.08 0.29 1.07 0.54 0.04 -1.26 -5.11 135.00 128.50 2pfi s PRO 608 Ca 0.58 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2pfi s PRO 608 Cb -0.52 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2pfi s PRO 608 CO 0.61 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 175.11 2pfi n GLY 613 N -0.09 -1.56 2.51 0.56 0.00 -1.26 -5.13 105.19 100.23 2pfi n GLY 613 Ca 0.06 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 2pfi n GLY 613 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pfi n HIS 614 N 0.00 1.14 -2.16 1.61 -0.00 -1.26 -5.10 115.22 109.45 2pfi n HIS 614 Ca 0.00 -3.79 -0.41 0.00 -0.00 0.00 0.00 57.72 53.52 2pfi n HIS 614 Cb 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.99 29.72 2pfi n HIS 614 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 2pfi s GLN 615 N -1.03 4.38 0.20 1.57 -1.52 -1.26 -5.04 119.66 116.97 2pfi s GLN 615 Ca 0.32 2.16 0.08 0.00 -1.95 0.00 0.00 55.36 55.97 2pfi s GLN 615 Cb 0.06 -3.10 -0.05 0.00 -0.22 0.00 0.00 33.01 29.70 2pfi s GLN 615 CO -0.15 -0.18 -0.14 -0.65 -0.25 0.00 0.00 175.29 173.93 2pfi s GLN 616 N -1.39 1.32 0.31 2.91 -1.52 -1.26 -5.08 119.66 114.95 2pfi s GLN 616 Ca 0.50 -1.58 0.03 0.00 -1.95 0.00 0.00 55.36 52.36 2pfi s GLN 616 Cb -0.39 -1.11 -0.05 0.00 -0.22 0.00 0.00 33.01 31.25 2pfi s GLN 616 CO 0.49 0.18 0.10 0.00 -0.25 0.00 0.00 175.29 175.81 2pfi h LEU 618 N 2.18 0.56 -1.81 0.00 5.85 -1.12 -1.24 115.31 119.72 2pfi h LEU 618 Ca -0.38 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.58 2pfi h LEU 618 Cb 1.25 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2pfi h LEU 618 CO 0.61 0.28 0.47 -0.61 -0.34 0.00 0.00 178.44 178.86 2pfi h GLN 619 N 0.67 0.17 -0.73 1.25 5.75 -1.30 0.67 115.11 121.59 2pfi h GLN 619 Ca 0.41 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.84 2pfi h GLN 619 Cb 0.49 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 2pfi h GLN 619 CO -0.30 0.11 0.21 -0.44 -2.65 0.00 0.00 178.83 175.76 2pfi h ASP 620 N 0.18 1.08 -0.02 -0.69 3.32 -1.50 0.46 116.42 119.26 2pfi h ASP 620 Ca 0.33 -0.22 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 2pfi h ASP 620 Cb 1.05 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 2pfi h ASP 620 CO -0.06 1.02 -0.56 0.40 -1.72 0.00 0.00 179.24 178.32 2pfi h ILE 621 N 1.10 1.31 -0.46 0.35 2.04 -0.95 -2.20 117.51 118.70 2pfi h ILE 621 Ca 0.23 -1.80 -0.12 0.00 1.00 0.00 0.00 64.86 64.17 2pfi h ILE 621 Cb 0.33 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2pfi h ILE 621 CO -0.00 0.56 -0.19 -0.07 0.00 0.00 0.00 178.15 178.45 2pfi h LEU 622 N 0.47 0.96 -1.64 1.44 3.38 -0.99 -2.52 115.31 116.40 2pfi h LEU 622 Ca 0.01 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2pfi h LEU 622 Cb 1.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2pfi h LEU 622 CO 0.11 1.14 -0.15 0.00 0.09 0.00 0.00 178.44 179.62 2pfi h ALA 623 N 0.85 1.17 0.00 1.53 0.00 -0.85 -2.28 119.26 119.69 2pfi h ALA 623 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pfi h ALA 623 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2pfi h ALA 623 CO 0.06 0.19 0.00 -0.09 0.00 0.00 0.00 179.25 179.41 2pfi h ARG 624 N 0.00 0.00 0.00 0.00 2.43 -0.98 -3.47 114.38 112.37 2pfi h ARG 624 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pfi h ARG 624 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2pfi h ARG 624 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 2pfi n GLY 625 N 0.97 0.57 3.67 2.80 0.00 -0.86 -5.09 105.19 107.25 2pfi n GLY 625 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2pfi n GLY 625 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pfi s PRO 627 N 4.01 4.09 0.17 0.00 0.02 -1.26 -4.71 135.00 137.32 2pfi s PRO 627 Ca 0.87 2.43 0.06 0.00 0.02 0.00 0.00 61.00 64.38 2pfi s PRO 627 Cb -0.44 -2.92 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 2pfi s PRO 627 CO 0.41 -0.49 -0.13 0.95 -0.33 0.00 0.00 177.00 177.41 2pfi s THR 628 N -1.15 1.48 0.11 0.99 -4.23 -1.26 -4.61 115.64 106.96 2pfi s THR 628 Ca 0.53 -2.08 0.09 0.00 -1.18 0.00 0.00 61.69 59.06 2pfi s THR 628 Cb -0.44 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2pfi s THR 628 CO 0.58 -0.61 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.25 2pfi s GLU 629 N -3.50 1.80 0.51 3.99 0.41 0.14 -4.97 118.70 117.08 2pfi s GLU 629 Ca 0.18 -1.16 -0.12 0.00 -0.41 0.00 0.00 54.97 53.46 2pfi s GLU 629 Cb -0.00 -2.11 -0.06 0.00 -1.78 0.00 0.00 34.13 30.18 2pfi s GLU 629 CO 0.04 0.49 0.92 -1.25 -0.49 0.00 0.00 175.26 174.97 2pfi s PRO 630 N -2.02 3.77 -0.15 0.39 0.04 -1.26 -1.12 135.00 134.66 2pfi s PRO 630 Ca 0.17 0.70 -0.20 0.00 0.04 0.00 0.00 61.00 61.71 2pfi s PRO 630 Cb -0.11 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2pfi s PRO 630 CO 0.09 -0.28 0.59 0.08 0.04 0.00 0.00 177.00 177.52 2pfi s VAL 631 N -2.72 5.08 0.00 -0.36 1.01 -1.26 -4.74 120.40 117.41 2pfi s VAL 631 Ca 0.55 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2pfi s VAL 631 Cb -0.10 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2pfi s VAL 631 CO 0.39 0.21 0.09 0.35 0.00 0.00 0.00 175.10 176.13 2pfi n THR 632 N 4.20 0.00 -3.63 3.92 -2.24 -1.26 -5.06 114.28 110.22 2pfi n THR 632 Ca -0.03 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 2pfi n THR 632 Cb 0.51 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.70 2pfi n THR 632 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2pfi s LEU 633 N -1.37 -0.45 0.23 3.22 2.96 -1.26 -5.18 118.68 116.83 2pfi s LEU 633 Ca 0.00 0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 54.60 2pfi s LEU 633 Cb 0.00 1.90 0.00 0.00 0.50 0.00 0.00 46.19 48.59 2pfi s LEU 633 CO 0.00 -0.18 0.47 0.42 -1.32 0.00 0.00 176.35 175.74 2pfi s THR 634 N 0.07 0.01 0.42 3.68 -4.23 -1.26 -4.68 115.64 109.65 2pfi s THR 634 Ca 0.02 -1.31 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 2pfi s THR 634 Cb -0.04 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2pfi s THR 634 CO -0.05 -0.05 0.51 -0.76 -0.54 0.00 0.00 174.62 173.73 2pfi s LEU 635 N -2.99 3.55 0.12 4.79 1.43 -0.23 -5.00 118.68 120.35 2pfi s LEU 635 Ca 0.20 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 2pfi s LEU 635 Cb -0.00 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2pfi s LEU 635 CO 0.06 -0.74 -0.15 -0.36 0.23 0.00 0.00 176.35 175.40 2pfi s PHE 636 N -2.40 1.46 0.37 0.29 0.40 -1.26 -1.66 117.98 115.18 2pfi s PHE 636 Ca 0.53 -0.53 0.13 0.00 -0.60 0.00 0.00 56.93 56.46 2pfi s PHE 636 Cb -0.07 -0.76 0.95 0.00 0.51 0.00 0.00 43.02 43.65 2pfi s PHE 636 CO 0.31 0.17 1.82 0.77 0.70 0.00 0.00 175.22 178.99 2pfi h SER 637 N 3.55 0.56 -0.12 1.36 0.02 -1.72 -1.08 113.55 116.11 2pfi h SER 637 Ca -0.40 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2pfi h SER 637 Cb 1.20 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2pfi h SER 637 CO 0.50 0.21 0.00 -0.62 -1.14 0.00 0.00 176.83 175.77 2pfi n GLU 638 N -4.61 1.89 -1.88 3.45 1.02 -1.26 -1.44 120.64 117.82 2pfi n GLU 638 Ca 0.21 -1.32 -0.41 0.00 -0.02 0.00 0.00 57.16 55.62 2pfi n GLU 638 Cb 0.67 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.62 2pfi n GLU 638 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pfi s THR 639 N -1.86 2.25 0.58 2.62 2.01 -0.41 -4.75 115.64 116.08 2pfi s THR 639 Ca 0.35 0.23 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 2pfi s THR 639 Cb 0.20 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2pfi s THR 639 CO 0.30 0.05 0.97 0.42 -0.69 0.00 0.00 174.62 175.67 2pfi s THR 640 N -0.63 4.73 0.26 -0.82 -4.23 -1.26 -0.09 115.64 113.60 2pfi s THR 640 Ca 0.56 0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 61.80 2pfi s THR 640 Cb -0.45 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 69.80 2pfi s THR 640 CO 0.54 -1.04 1.90 0.25 -0.54 0.00 0.00 174.62 175.74 2pfi h LEU 641 N -0.07 1.08 -0.26 4.79 5.85 -0.54 0.79 115.31 126.96 2pfi h LEU 641 Ca -0.45 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.27 2pfi h LEU 641 Cb 1.19 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 2pfi h LEU 641 CO 0.62 0.74 0.15 -0.74 -0.34 0.00 0.00 178.44 178.88 2pfi h HIS 642 N 1.26 0.29 -0.48 1.25 2.76 -1.45 0.00 115.15 118.78 2pfi h HIS 642 Ca 0.40 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.53 2pfi h HIS 642 Cb -0.00 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 2pfi h HIS 642 CO -0.00 0.17 0.11 1.96 -1.30 0.00 0.00 177.93 178.87 2pfi h GLN 643 N 0.32 0.77 -0.44 5.26 4.20 -1.66 -2.35 115.11 121.21 2pfi h GLN 643 Ca 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2pfi h GLN 643 Cb -0.01 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2pfi h GLN 643 CO -0.05 0.75 0.17 0.00 -0.67 0.00 0.00 178.83 179.04 2pfi h ALA 644 N 0.98 0.57 -0.58 3.87 0.00 -0.61 -0.45 119.26 123.04 2pfi h ALA 644 Ca 0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2pfi h ALA 644 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2pfi h ALA 644 CO 0.00 0.18 0.14 0.37 0.00 0.00 0.00 179.25 179.94 2pfi h GLN 645 N 0.56 0.93 -0.66 0.00 -0.00 -0.96 -1.13 115.11 113.86 2pfi h GLN 645 Ca 0.15 -0.23 -0.08 0.00 -0.00 0.00 0.00 58.65 58.48 2pfi h GLN 645 Cb 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 27.54 2pfi h GLN 645 CO -0.01 0.87 0.09 -0.97 0.00 0.00 0.00 178.83 178.80 2pfi h ASN 646 N 0.84 1.06 -0.15 -0.69 -1.24 -1.27 -1.04 115.58 113.09 2pfi h ASN 646 Ca 0.18 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 2pfi h ASN 646 Cb 0.36 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 2pfi h ASN 646 CO 0.00 1.06 0.06 0.25 -1.29 0.00 0.00 177.43 177.51 2pfi h LEU 647 N 1.03 0.21 -0.54 0.34 5.85 -0.80 -0.93 115.31 120.46 2pfi h LEU 647 Ca 0.20 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2pfi h LEU 647 Cb 0.47 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2pfi h LEU 647 CO 0.02 0.32 0.17 -0.26 -0.34 0.00 0.00 178.44 178.35 2pfi h PHE 648 N 0.08 0.87 0.36 1.25 -1.00 -1.09 -1.88 116.94 115.54 2pfi h PHE 648 Ca 0.05 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 2pfi h PHE 648 Cb 0.18 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.49 2pfi h PHE 648 CO -0.01 0.74 -0.17 -0.22 -1.61 0.00 0.00 178.31 177.04 2pfi h LYS 649 N 0.75 -0.47 -0.38 1.51 3.64 -1.13 -0.47 116.57 120.03 2pfi h LYS 649 Ca 0.17 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2pfi h LYS 649 Cb 0.28 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2pfi h LYS 649 CO -0.00 -0.17 -0.02 -0.07 -2.27 0.00 0.00 179.45 176.92 2pfi h LEU 650 N -0.76 0.57 -1.62 5.20 3.38 -1.21 -2.75 115.31 118.12 2pfi h LEU 650 Ca -0.05 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2pfi h LEU 650 Cb 0.51 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2pfi h LEU 650 CO 0.08 0.65 0.00 0.18 0.09 0.00 0.00 178.44 179.45 2pfi n LEU 651 N -4.25 2.47 -3.67 1.67 4.77 -0.71 -4.97 117.00 112.32 2pfi n LEU 651 Ca 0.02 -0.95 -0.23 0.00 -0.03 0.00 0.00 56.01 54.82 2pfi n LEU 651 Cb 0.27 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2pfi n LEU 651 CO 0.40 0.47 -0.07 -3.20 -1.33 0.00 0.00 177.39 173.66 2pfi n ASN 652 N 0.88 -2.51 -4.93 -1.43 5.15 -0.56 -4.98 115.26 106.89 2pfi n ASN 652 Ca 0.17 -0.86 -0.26 0.00 -0.60 0.00 0.00 54.58 53.02 2pfi n ASN 652 Cb 0.48 -3.96 -0.02 0.00 -0.53 0.00 0.00 39.78 35.75 2pfi n ASN 652 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2pfi s LEU 653 N -6.52 4.09 -0.14 1.20 1.43 -0.29 -5.02 118.68 113.42 2pfi s LEU 653 Ca 0.15 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.84 2pfi s LEU 653 Cb -0.04 -3.34 -0.14 0.00 0.03 0.00 0.00 46.19 42.70 2pfi s LEU 653 CO 0.82 -0.19 -0.04 0.00 0.23 0.00 0.00 176.35 177.17 2pfi n GLN 654 N -1.20 1.27 -3.51 1.70 1.13 -1.26 -4.84 117.38 110.67 2pfi n GLN 654 Ca -0.04 0.04 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2pfi n GLN 654 Cb 0.55 -1.33 -0.02 0.00 0.11 0.00 0.00 30.24 29.54 2pfi n GLN 654 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2pfi s SER 655 N -5.01 -0.39 0.02 1.08 1.04 -1.26 -3.52 113.70 105.66 2pfi s SER 655 Ca -0.13 0.06 -0.14 0.00 0.48 0.00 0.00 55.95 56.22 2pfi s SER 655 Cb 0.05 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2pfi s SER 655 CO 0.47 -0.61 0.30 -0.76 0.98 0.00 0.00 173.24 173.61 2pfi s LEU 656 N -2.32 0.90 0.57 2.42 1.43 -0.66 -5.00 118.68 116.02 2pfi s LEU 656 Ca 0.04 -0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2pfi s LEU 656 Cb -0.01 1.29 -0.03 0.00 0.03 0.00 0.00 46.19 47.47 2pfi s LEU 656 CO -0.08 -0.54 0.93 -0.36 0.23 0.00 0.00 176.35 176.54 2pfi s PHE 657 N -2.00 3.57 -0.06 0.29 0.40 -1.26 -1.09 117.98 117.82 2pfi s PHE 657 Ca -0.09 1.06 0.05 0.00 -0.60 0.00 0.00 56.93 57.35 2pfi s PHE 657 Cb -0.03 -2.58 -0.01 0.00 0.51 0.00 0.00 43.02 40.91 2pfi s PHE 657 CO 0.00 -0.56 -0.23 0.08 0.70 0.00 0.00 175.22 175.21 2pfi s VAL 658 N -3.01 2.25 0.22 -0.44 1.01 0.44 -1.06 120.40 119.81 2pfi s VAL 658 Ca 0.52 -1.00 0.11 0.00 0.00 0.00 0.00 61.98 61.61 2pfi s VAL 658 Cb -0.11 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 2pfi s VAL 658 CO 0.50 0.57 -0.21 0.42 0.00 0.00 0.00 175.10 176.38 2pfi s THR 659 N -0.20 2.28 -0.11 3.92 -4.23 -0.66 -1.08 115.64 115.56 2pfi s THR 659 Ca -0.02 -2.18 -0.04 0.00 -1.18 0.00 0.00 61.69 58.28 2pfi s THR 659 Cb -0.13 -2.15 0.06 0.00 1.34 0.00 0.00 72.50 71.61 2pfi s THR 659 CO 0.03 -0.29 0.16 -0.55 -0.54 0.00 0.00 174.62 173.43 2pfi s SER 660 N -3.05 1.04 -1.45 3.99 0.15 -0.27 -1.83 113.70 112.28 2pfi s SER 660 Ca 0.24 0.13 -0.07 0.00 0.70 0.00 0.00 55.95 56.95 2pfi s SER 660 Cb -0.06 0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.51 2pfi s SER 660 CO 0.11 -0.27 0.63 0.54 1.20 0.00 0.00 173.24 175.46 2pfi n ARG 661 N 5.32 -4.62 0.00 5.44 1.74 -1.26 -1.28 116.66 122.00 2pfi n ARG 661 Ca -0.05 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 2pfi n ARG 661 Cb 0.50 -5.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 2pfi n ARG 661 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pfi n GLY 662 N -1.44 2.62 3.81 -0.13 0.00 -1.26 -5.02 105.19 103.77 2pfi n GLY 662 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 2pfi n GLY 662 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pfi s ARG 663 N -0.16 4.20 -0.14 1.61 0.52 -0.40 -1.36 118.95 123.22 2pfi s ARG 663 Ca 0.00 0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 55.66 2pfi s ARG 663 Cb 0.00 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 2pfi s ARG 663 CO 0.00 0.58 1.30 0.00 0.02 0.00 0.00 175.30 177.19 2pfi s ALA 664 N -1.22 3.64 0.00 2.13 0.00 -0.83 -1.12 121.76 124.36 2pfi s ALA 664 Ca 0.33 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2pfi s ALA 664 Cb -0.19 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2pfi s ALA 664 CO 0.20 -1.15 0.00 1.33 0.00 0.00 0.00 175.76 176.14 2pfi n VAL 665 N 5.30 0.00 -3.04 0.00 0.24 -0.24 -4.96 118.33 115.63 2pfi n VAL 665 Ca 0.14 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2pfi n VAL 665 Cb 0.45 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 2pfi n VAL 665 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pfi n GLY 666 N 0.93 -1.22 3.25 7.63 0.00 -1.19 -4.66 105.19 109.94 2pfi n GLY 666 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 2pfi n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pfi s VAL 668 N -3.00 0.72 0.40 0.00 1.01 -0.25 -0.61 120.40 118.67 2pfi s VAL 668 Ca -0.02 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2pfi s VAL 668 Cb 0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2pfi s VAL 668 CO -0.06 0.24 0.13 -0.94 0.00 0.00 0.00 175.10 174.47 2pfi s SER 669 N 0.50 2.75 0.62 3.32 1.04 -1.26 -1.65 113.70 119.01 2pfi s SER 669 Ca -0.08 -1.67 0.39 0.00 0.48 0.00 0.00 55.95 55.08 2pfi s SER 669 Cb -0.11 0.50 2.02 0.00 0.10 0.00 0.00 66.02 68.52 2pfi s SER 669 CO 0.01 -0.93 2.23 -0.50 0.98 0.00 0.00 173.24 175.03 2pfi h TRP 670 N 1.80 0.00 -0.04 5.02 4.06 -1.92 -1.94 115.95 122.93 2pfi h TRP 670 Ca -0.35 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.60 2pfi h TRP 670 Cb 1.27 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.43 2pfi h TRP 670 CO 1.49 0.01 0.02 0.28 -3.56 0.00 0.00 178.44 176.68 2pfi h VAL 671 N 0.00 1.12 -0.39 1.49 2.07 -1.95 0.29 116.25 118.88 2pfi h VAL 671 Ca -0.00 -0.36 -0.16 0.00 0.82 0.00 0.00 66.70 67.00 2pfi h VAL 671 Cb 0.17 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2pfi h VAL 671 CO 0.00 0.10 -0.38 -0.33 0.02 0.00 0.00 177.57 176.99 2pfi h GLU 672 N -0.08 0.94 -0.01 1.57 3.07 -1.77 -2.84 114.58 115.46 2pfi h GLU 672 Ca 0.01 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2pfi h GLU 672 Cb 0.15 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2pfi h GLU 672 CO -0.00 1.15 0.01 1.98 -1.40 0.00 0.00 179.01 180.74 2pfi h MET 673 N 0.76 0.01 -0.39 2.33 4.05 -1.26 -1.86 114.93 118.57 2pfi h MET 673 Ca 0.06 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2pfi h MET 673 Cb 0.97 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 2pfi h MET 673 CO 0.09 0.02 0.23 0.87 0.23 0.00 0.00 176.91 178.35 2pfi h LYS 674 N 0.00 0.52 -0.35 0.39 1.57 -0.95 -1.10 116.57 116.65 2pfi h LYS 674 Ca 0.00 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 2pfi h LYS 674 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2pfi h LYS 674 CO -0.00 0.37 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.78 2pfi h LYS 675 N 0.53 0.79 -0.49 3.15 3.64 -1.23 -1.19 116.57 121.76 2pfi h LYS 675 Ca 0.14 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 2pfi h LYS 675 Cb -0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2pfi h LYS 675 CO -0.03 1.01 0.09 0.00 -2.27 0.00 0.00 179.45 178.25 2pfi h ALA 676 N 0.77 0.65 -0.62 5.00 0.00 -0.78 -1.34 119.26 122.95 2pfi h ALA 676 Ca 0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2pfi h ALA 676 Cb 0.81 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2pfi h ALA 676 CO 0.07 0.37 0.13 0.82 0.00 0.00 0.00 179.25 180.64 2pfi h ILE 677 N 0.69 1.26 -0.75 0.00 2.04 -1.17 -2.80 117.51 116.77 2pfi h ILE 677 Ca 0.15 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 2pfi h ILE 677 Cb 0.37 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2pfi h ILE 677 CO 0.01 0.36 0.28 -1.28 0.00 0.00 0.00 178.15 177.51 2pfi h SER 678 N 0.92 1.05 0.31 1.72 0.87 -1.02 -2.24 113.55 115.15 2pfi h SER 678 Ca 0.19 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2pfi h SER 678 Cb 0.39 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2pfi h SER 678 CO 0.01 0.95 0.00 0.78 -0.53 0.00 0.00 176.83 178.04 2pfi h ASN 679 N 1.09 0.00 -0.74 6.23 2.35 -0.98 -0.15 115.58 123.38 2pfi h ASN 679 Ca 0.25 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2pfi h ASN 679 Cb 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 2pfi h ASN 679 CO -0.02 0.00 0.31 -0.07 -1.65 0.00 0.00 177.43 176.00 2pfi h LEU 680 N 0.00 1.03 0.00 1.61 3.38 -1.24 -2.82 115.31 117.27 2pfi h LEU 680 Ca 0.00 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 2pfi h LEU 680 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2pfi h LEU 680 CO 0.00 0.91 -1.84 0.35 0.09 0.00 0.00 178.44 177.95 2pfi n THR 681 N -4.29 0.58 -3.34 0.22 -2.24 -0.99 -4.77 114.28 99.46 2pfi n THR 681 Ca 0.07 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 2pfi n THR 681 Cb 0.18 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.01 2pfi n THR 681 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pfi n ASN 682 N -2.32 1.96 -4.71 3.42 5.03 -0.10 -5.10 115.26 113.44 2pfi n ASN 682 Ca -0.15 -3.06 -0.43 0.00 0.87 0.00 0.00 54.58 51.82 2pfi n ASN 682 Cb 0.73 -0.66 -0.03 0.00 -1.02 0.00 0.00 39.78 38.80 2pfi n ASN 682 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2pfi n PRO 683 N 1.23 2.65 -1.61 3.52 -0.04 -1.06 -4.33 135.00 135.35 2pfi n PRO 683 Ca 0.26 0.95 -0.34 0.00 -0.04 0.00 0.00 63.50 64.33 2pfi n PRO 683 Cb 0.46 -2.79 0.07 0.00 -0.04 0.00 0.00 33.50 31.21 2pfi n PRO 683 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2pfi s PRO 684 N 1.11 2.45 0.68 0.54 0.04 -1.26 -4.99 135.00 133.58 2pfi s PRO 684 Ca 0.76 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 63.30 2pfi s PRO 684 Cb -0.54 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2pfi s PRO 684 CO 0.33 -1.57 1.15 0.00 0.04 0.00 0.00 177.00 176.96 2pfi s ALA 685 N -2.05 2.32 0.43 8.56 0.00 -1.26 -4.94 121.76 124.83 2pfi s ALA 685 Ca 0.72 0.70 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 2pfi s ALA 685 Cb -0.26 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 2pfi s ALA 685 CO 0.42 -1.51 1.44 -0.35 0.00 0.00 0.00 175.76 175.76 2pfi n PRO 686 N -2.50 2.36 -2.05 0.00 -0.04 -1.26 -4.94 135.00 126.57 2pfi n PRO 686 Ca 0.12 0.84 -0.37 0.00 -0.04 0.00 0.00 63.50 64.04 2pfi n PRO 686 Cb 0.51 -2.64 0.02 0.00 -0.04 0.00 0.00 33.50 31.35 2pfi n PRO 686 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2pfi s LYS 687 N -2.35 3.40 0.15 0.54 3.01 -1.26 -5.03 119.74 118.19 2pfi s LYS 687 Ca 0.59 1.94 0.08 0.00 -1.01 0.00 0.00 55.97 57.57 2pfi s LYS 687 Cb -0.46 -2.26 -0.04 0.00 -1.01 0.00 0.00 37.83 34.06 2pfi s LYS 687 CO 0.59 -0.90 -0.07 -1.21 0.51 0.00 0.00 175.35 174.28 2pfi s GLU 688 N -2.90 2.20 0.16 1.68 2.02 -1.26 -5.13 118.70 115.46 2pfi s GLU 688 Ca 0.69 -1.11 0.08 0.00 0.02 0.00 0.00 54.97 54.64 2pfi s GLU 688 Cb -0.33 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 2pfi s GLU 688 CO 0.39 0.47 -0.06 -0.06 0.02 0.00 0.00 175.26 176.02 2pfi s PHE 689 N -1.51 2.75 -0.06 1.61 0.40 -1.26 -5.12 117.98 114.79 2pfi s PHE 689 Ca 0.24 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.44 2pfi s PHE 689 Cb -0.10 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.07 2pfi s PHE 689 CO 0.16 0.49 -0.17 -0.51 0.70 0.00 0.00 175.22 175.89 2pfi s LEU 690 N -2.71 1.86 0.16 -0.37 1.43 -1.26 -5.14 118.68 112.64 2pfi s LEU 690 Ca 0.25 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 2pfi s LEU 690 Cb -0.10 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2pfi s LEU 690 CO 0.16 0.12 0.37 -1.83 0.23 0.00 0.00 176.35 175.40 2pfi s GLU 691 N 0.27 1.16 -0.78 1.70 -1.05 -1.26 -5.10 118.70 113.65 2pfi s GLU 691 Ca -0.09 -0.95 -0.22 0.00 -0.15 0.00 0.00 54.97 53.56 2pfi s GLU 691 Cb -0.14 0.44 0.09 0.00 -0.44 0.00 0.00 34.13 34.07 2pfi s GLU 691 CO 0.04 -0.45 1.07 0.08 0.95 0.00 0.00 175.26 176.94 2pfi s VAL 692 N -3.89 4.39 -2.00 1.83 1.01 -1.26 -5.37 120.40 115.11 2pfi s VAL 692 Ca 0.10 -0.74 0.14 0.00 0.00 0.00 0.00 61.98 61.47 2pfi s VAL 692 Cb 0.02 -4.76 0.39 0.00 0.00 0.00 0.00 36.38 32.03 2pfi s VAL 692 CO -0.05 -1.53 1.23 0.18 0.00 0.00 0.00 175.10 174.94