#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 7.33 -0.00 -1.97 -1.06 115.15 119.45 2pfi h HIS 543 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 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 0.00 -1.51 0.72 -0.00 0.00 0.00 177.93 177.14 2pfi n HIS 544 N -2.44 0.00 -3.18 2.45 -0.00 -1.26 -4.86 115.22 105.93 2pfi n HIS 544 Ca 0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.36 2pfi n HIS 544 Cb 0.49 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.99 30.15 2pfi n HIS 544 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2pfi s VAL 545 N -3.18 5.02 0.27 1.59 1.01 -1.26 -5.01 120.40 118.84 2pfi s VAL 545 Ca -0.01 1.24 0.10 0.00 0.00 0.00 0.00 61.98 63.31 2pfi s VAL 545 Cb 0.14 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2pfi s VAL 545 CO 0.83 0.34 -0.02 -0.13 0.00 0.00 0.00 175.10 176.12 2pfi s ARG 546 N 0.31 2.25 0.29 2.72 0.52 -1.26 -0.32 118.95 123.46 2pfi s ARG 546 Ca 0.32 -1.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.12 2pfi s ARG 546 Cb -0.17 -2.14 0.61 0.00 0.52 0.00 0.00 34.95 33.77 2pfi s ARG 546 CO 0.16 0.36 1.82 0.28 0.02 0.00 0.00 175.30 177.94 2pfi h VAL 547 N 1.92 0.85 0.00 3.52 2.07 -0.68 0.59 116.25 124.52 2pfi h VAL 547 Ca -0.44 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2pfi h VAL 547 Cb 1.25 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2pfi h VAL 547 CO 0.60 0.17 0.00 1.05 0.02 0.00 0.00 177.57 179.41 2pfi h GLU 548 N 0.93 0.00 0.00 1.57 4.11 -1.54 0.42 114.58 120.07 2pfi h GLU 548 Ca 0.52 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.78 2pfi h GLU 548 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2pfi h GLU 548 CO -0.30 0.00 -0.82 0.45 0.07 0.00 0.00 179.01 178.40 2pfi h HIS 549 N 0.00 0.05 0.00 2.06 3.86 -1.16 -3.38 115.15 116.58 2pfi h HIS 549 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2pfi h HIS 549 Cb 0.03 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2pfi h HIS 549 CO 0.00 0.84 0.00 1.97 0.86 0.00 0.00 177.93 181.60 2pfi n PHE 550 N -3.59 0.00 -1.20 2.45 1.16 -0.74 -5.06 117.46 110.48 2pfi n PHE 550 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.25 2pfi n PHE 550 Cb 0.79 0.00 0.11 0.00 -1.61 0.00 0.00 39.48 38.76 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 -0.11 1.91 -0.24 3.97 0.23 0.06 -4.83 119.30 120.30 2pfi s MET 551 Ca 0.00 1.48 -0.23 0.00 -1.03 0.00 0.00 55.69 55.91 2pfi s MET 551 Cb 0.00 -1.83 -0.01 0.00 -1.53 0.00 0.00 34.83 31.45 2pfi s MET 551 CO 0.00 -1.95 0.76 1.21 -2.03 0.00 0.00 175.02 173.01 2pfi s ASN 552 N -2.69 6.75 0.06 -1.18 3.84 0.24 -4.90 114.94 117.06 2pfi s ASN 552 Ca 0.67 0.93 0.26 0.00 0.21 0.00 0.00 52.86 54.93 2pfi s ASN 552 Cb -0.23 -2.40 0.65 0.00 -0.55 0.00 0.00 41.25 38.72 2pfi s ASN 552 CO 0.52 -0.45 1.54 1.41 -2.79 0.00 0.00 177.10 177.32 2pfi n HIS 553 N 5.82 0.26 -1.17 0.43 8.25 -1.26 -1.49 115.22 126.06 2pfi n HIS 553 Ca 0.03 0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 57.23 2pfi n HIS 553 Cb 0.48 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.75 7.79 -4.62 0.41 7.64 -1.26 -4.85 113.62 116.98 2pfi n SER 554 Ca 0.05 -2.51 -0.27 0.00 1.01 0.00 0.00 58.87 57.15 2pfi n SER 554 Cb 0.38 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.04 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 2.38 3.51 -0.23 0.44 -4.36 -1.26 -5.05 121.20 116.63 2pfi s ILE 555 Ca 0.63 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.53 2pfi s ILE 555 Cb 0.17 -2.75 0.05 0.00 1.25 0.00 0.00 42.46 41.18 2pfi s ILE 555 CO -0.05 -0.10 -0.09 -0.89 0.24 0.00 0.00 174.94 174.05 2pfi s THR 556 N -1.70 1.77 0.42 8.37 2.01 -1.26 -5.06 115.64 120.20 2pfi s THR 556 Ca 0.26 -1.25 -0.12 0.00 0.31 0.00 0.00 61.69 60.89 2pfi s THR 556 Cb -0.09 -1.91 -0.07 0.00 0.01 0.00 0.00 72.50 70.44 2pfi s THR 556 CO 0.17 0.04 0.81 0.42 -0.69 0.00 0.00 174.62 175.38 2pfi s THR 557 N 1.31 4.72 -0.09 -0.82 -4.23 -1.26 -4.43 115.64 110.83 2pfi s THR 557 Ca -0.05 0.78 0.04 0.00 -1.18 0.00 0.00 61.69 61.29 2pfi s THR 557 Cb -0.18 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 69.94 2pfi s THR 557 CO -0.07 -0.53 -0.24 -0.76 -0.54 0.00 0.00 174.62 172.49 2pfi s LEU 558 N -3.82 2.07 0.24 4.79 1.43 -0.72 -5.00 118.68 117.68 2pfi s LEU 558 Ca 0.53 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 53.15 2pfi s LEU 558 Cb -0.10 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2pfi s LEU 558 CO 0.30 0.17 0.21 0.00 0.23 0.00 0.00 176.35 177.26 2pfi s ALA 559 N 0.28 3.63 0.49 4.21 0.00 -1.26 -0.67 121.76 128.44 2pfi s ALA 559 Ca -0.17 -1.38 0.14 0.00 0.00 0.00 0.00 51.96 50.55 2pfi s ALA 559 Cb -0.17 -1.36 1.15 0.00 0.00 0.00 0.00 23.12 22.74 2pfi s ALA 559 CO 0.08 0.27 2.11 0.87 0.00 0.00 0.00 175.76 179.09 2pfi h LYS 560 N 1.52 0.11 -0.62 0.00 1.57 -1.48 -1.87 116.57 115.81 2pfi h LYS 560 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2pfi h LYS 560 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2pfi h LYS 560 CO 0.61 0.10 0.00 -0.40 -0.57 0.00 0.00 179.45 179.19 2pfi n ASP 561 N -4.50 5.30 -4.67 0.86 5.75 -1.26 -1.16 116.55 116.87 2pfi n ASP 561 Ca -0.02 -2.75 -0.43 0.00 -0.01 0.00 0.00 54.79 51.58 2pfi n ASP 561 Cb 0.10 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.52 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 -2.43 4.40 0.55 2.12 2.01 -0.70 -4.84 115.64 116.73 2pfi s THR 562 Ca 0.52 1.69 -0.21 0.00 0.31 0.00 0.00 61.69 64.00 2pfi s THR 562 Cb 0.38 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2pfi s THR 562 CO 0.18 -0.12 1.23 -0.81 -0.69 0.00 0.00 174.62 174.41 2pfi n PRO 563 N 6.26 1.47 0.12 4.92 -0.04 -1.26 -0.93 135.00 145.53 2pfi n PRO 563 Ca 0.13 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 64.22 2pfi n PRO 563 Cb 0.45 -2.42 0.57 0.00 -0.04 0.00 0.00 33.50 32.06 2pfi n PRO 563 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2pfi h LEU 564 N 1.22 0.17 -0.72 1.53 3.38 -1.45 -0.42 115.31 119.03 2pfi h LEU 564 Ca -0.50 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.52 2pfi h LEU 564 Cb 1.32 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2pfi h LEU 564 CO 0.56 0.12 0.43 -0.33 0.09 0.00 0.00 178.44 179.31 2pfi h GLU 565 N 0.19 0.80 -0.25 1.13 3.07 -1.89 -0.57 114.58 117.07 2pfi h GLU 565 Ca 0.11 -0.05 -0.15 0.00 -0.50 0.00 0.00 59.36 58.77 2pfi h GLU 565 Cb 0.18 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2pfi h GLU 565 CO -0.02 0.53 -0.45 1.49 -1.40 0.00 0.00 179.01 179.17 2pfi h GLU 566 N 0.83 0.62 -0.74 2.33 4.57 -1.46 -2.55 114.58 118.18 2pfi h GLU 566 Ca 0.30 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2pfi h GLU 566 Cb 0.09 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 2pfi h GLU 566 CO -0.14 0.95 0.48 0.28 -1.18 0.00 0.00 179.01 179.40 2pfi h VAL 567 N 0.50 1.20 -0.53 0.32 2.07 -0.50 -0.54 116.25 118.77 2pfi h VAL 567 Ca 0.03 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2pfi h VAL 567 Cb 0.98 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2pfi h VAL 567 CO 0.09 0.19 0.29 0.58 0.02 0.00 0.00 177.57 178.74 2pfi h VAL 568 N 1.01 1.18 -0.66 2.57 2.07 -0.96 -1.09 116.25 120.38 2pfi h VAL 568 Ca 0.27 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2pfi h VAL 568 Cb -0.10 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 2pfi h VAL 568 CO -0.06 0.19 0.41 0.11 0.02 0.00 0.00 177.57 178.24 2pfi h LYS 569 N 0.71 0.78 0.20 1.57 6.56 -0.98 -0.92 116.57 124.49 2pfi h LYS 569 Ca 0.19 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 2pfi h LYS 569 Cb 0.05 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.53 2pfi h LYS 569 CO -0.03 0.52 -0.10 0.28 -2.06 0.00 0.00 179.45 178.06 2pfi h VAL 570 N 0.80 0.86 -0.30 0.50 2.07 -0.77 -2.08 116.25 117.34 2pfi h VAL 570 Ca 0.26 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2pfi h VAL 570 Cb 0.01 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2pfi h VAL 570 CO -0.10 0.06 0.13 0.58 0.02 0.00 0.00 177.57 178.26 2pfi h VAL 571 N -0.40 0.96 0.00 2.57 2.07 -1.03 -2.32 116.25 118.09 2pfi h VAL 571 Ca -0.03 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2pfi h VAL 571 Cb 0.31 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2pfi h VAL 571 CO 0.04 0.05 -0.08 0.71 0.02 0.00 0.00 177.57 178.31 2pfi h THR 572 N 0.27 0.27 -0.48 2.57 1.35 -1.16 -2.96 112.91 112.78 2pfi h THR 572 Ca 0.13 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2pfi h THR 572 Cb 0.07 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2pfi h THR 572 CO -0.11 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 173.70 2pfi n SER 573 N -3.30 3.54 -4.46 5.36 3.41 -0.79 -4.98 113.62 112.41 2pfi n SER 573 Ca -0.01 -1.98 -0.22 0.00 -0.26 0.00 0.00 58.87 56.41 2pfi n SER 573 Cb 0.28 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.27 1.23 -0.03 6.66 -4.23 -0.92 -5.05 115.64 112.03 2pfi s THR 574 Ca 0.40 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.05 2pfi s THR 574 Cb 0.22 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.51 2pfi s THR 574 CO 0.30 0.00 1.10 -0.90 -0.54 0.00 0.00 174.62 174.59 2pfi n ASP 575 N -0.71 0.74 -4.89 3.99 5.75 -1.26 -4.94 116.55 115.23 2pfi n ASP 575 Ca -0.02 -2.22 -0.29 0.00 -0.01 0.00 0.00 54.79 52.24 2pfi n ASP 575 Cb 0.67 -0.29 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.45 4.88 -0.66 2.12 -7.23 -1.26 -5.00 120.40 112.80 2pfi s VAL 576 Ca 0.20 0.37 0.25 0.00 -1.81 0.00 0.00 61.98 60.99 2pfi s VAL 576 Cb 0.22 -3.77 0.13 0.00 0.56 0.00 0.00 36.38 33.53 2pfi s VAL 576 CO -0.08 -0.55 1.47 0.71 -0.31 0.00 0.00 175.10 176.34 2pfi h THR 577 N 0.95 0.00 -3.19 5.32 1.35 -1.98 -3.43 112.91 111.93 2pfi h THR 577 Ca -0.47 -0.51 -0.06 0.00 -0.55 0.00 0.00 66.41 64.82 2pfi h THR 577 Cb 1.19 1.23 -0.15 0.00 -1.73 0.00 0.00 68.15 68.70 2pfi h THR 577 CO 0.64 0.00 -0.08 -1.83 -0.25 0.00 0.00 175.52 174.00 2pfi s GLU 578 N -3.15 1.00 0.04 4.72 -1.05 -1.26 -0.83 118.70 118.17 2pfi s GLU 578 Ca 0.08 -0.53 0.06 0.00 -0.15 0.00 0.00 54.97 54.43 2pfi s GLU 578 Cb 0.13 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2pfi s GLU 578 CO 0.68 -0.37 -0.17 0.71 0.95 0.00 0.00 175.26 177.06 2pfi s TYR 579 N -3.14 1.48 0.05 4.83 1.51 0.47 -4.90 117.35 117.65 2pfi s TYR 579 Ca -0.01 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 2pfi s TYR 579 Cb 0.01 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 2pfi s TYR 579 CO -0.07 0.06 1.07 -1.25 -1.11 0.00 0.00 175.55 174.25 2pfi s PRO 580 N -1.13 4.53 -0.16 -1.71 0.04 -1.26 -1.25 135.00 134.06 2pfi s PRO 580 Ca 0.04 1.59 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 2pfi s PRO 580 Cb -0.08 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 2pfi s PRO 580 CO 0.01 -0.08 0.28 -1.17 0.04 0.00 0.00 177.00 176.08 2pfi s LEU 581 N 0.76 4.25 0.19 -3.56 2.96 0.66 -1.75 118.68 122.20 2pfi s LEU 581 Ca 0.54 0.50 0.10 0.00 -0.22 0.00 0.00 54.13 55.05 2pfi s LEU 581 Cb -0.25 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 2pfi s LEU 581 CO 0.29 0.12 -0.18 0.68 -1.32 0.00 0.00 176.35 175.94 2pfi s VAL 582 N 0.39 2.70 0.18 1.68 -7.23 0.15 -0.77 120.40 117.50 2pfi s VAL 582 Ca 0.16 -1.88 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 2pfi s VAL 582 Cb -0.13 -2.31 0.08 0.00 0.56 0.00 0.00 36.38 34.58 2pfi s VAL 582 CO 0.04 -0.12 1.76 -0.08 -0.31 0.00 0.00 175.10 176.39 2pfi h GLU 583 N 3.07 0.36 -3.37 4.82 4.57 -1.16 -2.25 114.58 120.62 2pfi h GLU 583 Ca -0.46 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 2pfi h GLU 583 Cb 1.21 -0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 29.58 2pfi h GLU 583 CO 0.51 0.24 -0.10 -1.54 -1.18 0.00 0.00 179.01 176.94 2pfi s SER 584 N -5.40 -0.22 0.34 1.04 1.04 -1.26 -3.68 113.70 105.56 2pfi s SER 584 Ca -0.13 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2pfi s SER 584 Cb 0.14 0.46 0.62 0.00 0.10 0.00 0.00 66.02 67.34 2pfi s SER 584 CO 0.73 -0.82 1.95 0.74 0.98 0.00 0.00 173.24 176.82 2pfi h THR 585 N 2.48 1.17 -0.18 2.02 2.02 -1.92 -1.04 112.91 117.46 2pfi h THR 585 Ca -0.34 -0.51 -0.11 0.00 0.77 0.00 0.00 66.41 66.23 2pfi h THR 585 Cb 1.25 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2pfi h THR 585 CO 0.47 0.21 -0.30 -0.08 0.37 0.00 0.00 175.52 176.18 2pfi h GLU 586 N 0.70 0.53 0.08 6.66 4.57 -2.00 -3.35 114.58 121.77 2pfi h GLU 586 Ca 0.17 -0.32 -0.27 0.00 -1.18 0.00 0.00 59.36 57.76 2pfi h GLU 586 Cb 0.10 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2pfi h GLU 586 CO -0.02 0.93 -1.34 0.66 -1.18 0.00 0.00 179.01 178.06 2pfi h SER 587 N 0.18 0.26 -1.47 1.04 4.64 -1.92 -3.48 113.55 112.81 2pfi h SER 587 Ca 0.01 -0.33 -0.40 0.00 -0.47 0.00 0.00 61.79 60.60 2pfi h SER 587 Cb 0.89 -0.09 -0.13 0.00 -0.31 0.00 0.00 62.40 62.76 2pfi h SER 587 CO 0.07 1.27 -0.40 0.00 -0.87 0.00 0.00 176.83 176.90 2pfi n GLN 588 N -3.41 -1.50 -2.42 4.77 1.13 -0.41 -4.82 117.38 110.72 2pfi n GLN 588 Ca -0.10 1.13 -0.43 0.00 -1.94 0.00 0.00 57.00 55.66 2pfi n GLN 588 Cb 1.01 -5.56 -0.02 0.00 0.11 0.00 0.00 30.24 25.78 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 -2.74 4.28 0.12 5.09 -1.09 -1.26 -1.60 121.20 124.00 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 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 2pfi s ILE 589 CO 0.00 -0.13 1.64 -0.22 -1.23 0.00 0.00 174.94 175.00 2pfi s LEU 590 N 3.42 4.37 0.00 2.97 2.96 -0.50 -0.57 118.68 131.33 2pfi s LEU 590 Ca 0.55 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.04 2pfi s LEU 590 Cb -0.22 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.89 2pfi s LEU 590 CO 0.15 -0.87 0.04 1.33 -1.32 0.00 0.00 176.35 175.68 2pfi n VAL 591 N 4.38 0.00 -3.22 1.68 0.24 0.05 -4.87 118.33 116.60 2pfi n VAL 591 Ca 0.15 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2pfi n VAL 591 Cb 0.39 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 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 0.42 -1.23 2.90 7.63 0.00 -1.08 -4.70 105.19 109.12 2pfi n GLY 592 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.00 0.18 -0.06 -0.61 1.01 -0.33 -0.24 121.20 118.15 2pfi s ILE 593 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.63 2pfi s ILE 593 Cb 0.00 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 2pfi s ILE 593 CO 0.00 0.06 -0.21 -0.69 0.00 0.00 0.00 174.94 174.10 2pfi s VAL 594 N 0.09 1.76 0.14 2.92 1.01 -0.38 0.18 120.40 126.12 2pfi s VAL 594 Ca -0.01 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 2pfi s VAL 594 Cb -0.03 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.77 2pfi s VAL 594 CO -0.00 0.50 0.75 -1.10 0.00 0.00 0.00 175.10 175.25 2pfi s GLN 595 N 0.00 4.52 0.21 2.72 -0.21 -1.26 -0.40 119.66 125.24 2pfi s GLN 595 Ca -0.06 1.11 -0.10 0.00 0.02 0.00 0.00 55.36 56.33 2pfi s GLN 595 Cb -0.13 -3.27 0.27 0.00 1.00 0.00 0.00 33.01 30.88 2pfi s GLN 595 CO 0.04 0.54 1.73 -0.09 -2.12 0.00 0.00 175.29 175.39 2pfi h ARG 596 N 4.52 0.35 -0.99 2.91 2.43 -1.26 -1.69 114.38 120.65 2pfi h ARG 596 Ca -0.47 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 2pfi h ARG 596 Cb 1.21 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 2pfi h ARG 596 CO 0.66 0.23 0.65 0.00 -1.51 0.00 0.00 179.97 180.01 2pfi h ALA 597 N 1.43 1.35 -0.16 2.80 0.00 -1.93 -0.62 119.26 122.12 2pfi h ALA 597 Ca 0.30 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2pfi h ALA 597 Cb 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pfi h ALA 597 CO -0.33 0.56 -0.59 1.96 0.00 0.00 0.00 179.25 180.85 2pfi h GLN 598 N 1.26 0.51 -0.47 0.00 1.08 -1.77 -2.17 115.11 113.55 2pfi h GLN 598 Ca 0.39 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 2pfi h GLN 598 Cb -0.01 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2pfi h GLN 598 CO -0.12 0.95 0.12 -0.07 -0.95 0.00 0.00 178.83 178.76 2pfi h LEU 599 N 0.38 0.71 -0.33 1.46 3.38 -0.77 -1.63 115.31 118.52 2pfi h LEU 599 Ca -0.00 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2pfi h LEU 599 Cb 1.14 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2pfi h LEU 599 CO 0.11 0.76 0.21 0.58 0.09 0.00 0.00 178.44 180.19 2pfi h VAL 600 N 0.64 1.07 -0.48 1.22 2.07 -1.06 -0.50 116.25 119.21 2pfi h VAL 600 Ca 0.15 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2pfi h VAL 600 Cb 0.32 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2pfi h VAL 600 CO 0.00 0.08 0.29 -0.61 0.02 0.00 0.00 177.57 177.35 2pfi h GLN 601 N 0.43 0.56 -0.75 1.57 -0.00 -1.20 -0.27 115.11 115.46 2pfi h GLN 601 Ca 0.12 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.68 2pfi h GLN 601 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.29 2pfi h GLN 601 CO -0.04 0.37 0.24 0.00 0.00 0.00 0.00 178.83 179.40 2pfi h ALA 602 N 1.21 1.01 -0.18 3.38 0.00 -1.02 -2.49 119.26 121.16 2pfi h ALA 602 Ca 0.19 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2pfi h ALA 602 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2pfi h ALA 602 CO -0.09 0.67 -0.44 -0.07 0.00 0.00 0.00 179.25 179.32 2pfi h LEU 603 N 1.11 0.48 -0.22 0.00 3.38 -0.66 -2.70 115.31 116.70 2pfi h LEU 603 Ca 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2pfi h LEU 603 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2pfi h LEU 603 CO -0.01 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.38 2pfi n GLN 604 N -4.01 0.14 -0.46 1.13 6.02 -0.15 -5.10 117.38 114.96 2pfi n GLN 604 Ca -0.02 0.25 0.08 0.00 -0.01 0.00 0.00 57.00 57.30 2pfi n GLN 604 Cb 0.53 -1.71 0.27 0.00 1.02 0.00 0.00 30.24 30.35 2pfi n GLN 604 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pfi n ALA 605 N -1.67 2.87 0.00 -1.58 0.00 -0.96 -5.09 120.51 114.08 2pfi n ALA 605 Ca 0.04 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.72 2pfi n ALA 605 Cb 0.30 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2pfi n ALA 605 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfi n GLY 613 N 0.32 -2.56 3.72 0.00 0.00 -1.26 -5.05 105.19 100.36 2pfi n GLY 613 Ca 0.21 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2pfi n GLY 613 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2pfi s HIS 614 N -0.39 2.23 0.04 1.61 0.00 -1.26 -4.92 115.29 112.60 2pfi s HIS 614 Ca 0.00 1.57 -0.31 0.00 -3.00 0.00 0.00 55.06 53.32 2pfi s HIS 614 Cb 0.00 -3.15 -0.07 0.00 -4.00 0.00 0.00 32.58 25.36 2pfi s HIS 614 CO 0.00 -2.24 1.52 -1.14 -1.00 0.00 0.00 174.74 171.88 2pfi s GLN 615 N -4.82 4.25 0.12 -0.38 0.74 -1.26 -4.94 119.66 113.36 2pfi s GLN 615 Ca 0.63 2.15 -0.31 0.00 0.05 0.00 0.00 55.36 57.88 2pfi s GLN 615 Cb -0.19 -3.54 -0.07 0.00 1.10 0.00 0.00 33.01 30.30 2pfi s GLN 615 CO 0.57 -0.64 1.30 -0.65 -0.55 0.00 0.00 175.29 175.33 2pfi s GLN 616 N 2.36 4.38 0.42 1.67 -1.52 -1.26 -4.98 119.66 120.73 2pfi s GLN 616 Ca 0.68 1.97 0.03 0.00 -1.95 0.00 0.00 55.36 56.09 2pfi s GLN 616 Cb -0.36 -3.26 -0.03 0.00 -0.22 0.00 0.00 33.01 29.14 2pfi s GLN 616 CO 0.29 -0.31 0.08 0.00 -0.25 0.00 0.00 175.29 175.10 2pfi h LEU 618 N 1.74 0.21 -1.99 0.00 5.85 -1.06 -0.36 115.31 119.70 2pfi h LEU 618 Ca -0.39 0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.59 2pfi h LEU 618 Cb 1.28 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 2pfi h LEU 618 CO 0.64 0.10 0.40 0.06 -0.34 0.00 0.00 178.44 179.31 2pfi h GLN 619 N 0.40 0.01 -0.41 1.25 3.07 -1.40 -0.30 115.11 117.73 2pfi h GLN 619 Ca 0.35 -0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.95 2pfi h GLN 619 Cb 0.49 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 2pfi h GLN 619 CO -0.36 0.00 -0.28 -0.44 0.09 0.00 0.00 178.83 177.84 2pfi h ASP 620 N 0.01 0.96 0.34 0.06 3.32 -1.33 -1.15 116.42 118.62 2pfi h ASP 620 Ca 0.27 -0.43 -0.15 0.00 0.02 0.00 0.00 57.03 56.74 2pfi h ASP 620 Cb 1.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2pfi h ASP 620 CO -0.00 1.19 -0.60 0.40 -1.72 0.00 0.00 179.24 178.50 2pfi h ILE 621 N 0.74 1.38 -0.54 0.35 2.04 -1.05 -1.91 117.51 118.53 2pfi h ILE 621 Ca 0.08 -1.96 -0.08 0.00 1.00 0.00 0.00 64.86 63.89 2pfi h ILE 621 Cb 0.87 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 2pfi h ILE 621 CO 0.08 0.58 0.01 -0.07 0.00 0.00 0.00 178.15 178.75 2pfi h LEU 622 N 0.19 0.92 -1.36 1.44 3.38 -1.10 -1.96 115.31 116.82 2pfi h LEU 622 Ca -0.01 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 2pfi h LEU 622 Cb 1.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2pfi h LEU 622 CO 0.09 1.00 -0.21 0.00 0.09 0.00 0.00 178.44 179.41 2pfi h ALA 623 N 0.96 1.47 0.00 1.53 0.00 -1.00 -2.33 119.26 119.89 2pfi h ALA 623 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pfi h ALA 623 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2pfi h ALA 623 CO 0.03 0.38 0.00 0.54 0.00 0.00 0.00 179.25 180.20 2pfi n ARG 624 N -4.22 0.67 0.00 0.00 1.74 -0.74 -4.87 116.66 109.24 2pfi n ARG 624 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2pfi n ARG 624 Cb 0.31 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2pfi n ARG 624 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pfi n GLY 625 N 1.13 0.83 3.66 -0.13 0.00 -0.88 -5.08 105.19 104.72 2pfi n GLY 625 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 4.25 3.04 0.05 0.00 0.02 -1.26 -4.62 135.00 136.48 2pfi s PRO 627 Ca 0.79 2.05 0.05 0.00 0.02 0.00 0.00 61.00 63.91 2pfi s PRO 627 Cb -0.36 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 2pfi s PRO 627 CO 0.34 -1.21 -0.15 -0.08 -0.33 0.00 0.00 177.00 175.57 2pfi s THR 628 N -1.42 1.16 0.05 0.99 -1.32 -1.26 -4.65 115.64 109.18 2pfi s THR 628 Ca 0.75 -1.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.10 2pfi s THR 628 Cb -0.36 -1.07 -0.04 0.00 -1.51 0.00 0.00 72.50 69.52 2pfi s THR 628 CO 0.41 -0.08 0.01 -1.61 -2.21 0.00 0.00 174.62 171.14 2pfi s GLU 629 N -1.41 2.71 0.48 7.08 0.41 0.13 -4.96 118.70 123.15 2pfi s GLU 629 Ca 0.01 -0.71 -0.16 0.00 -0.41 0.00 0.00 54.97 53.70 2pfi s GLU 629 Cb -0.09 -2.63 -0.08 0.00 -1.78 0.00 0.00 34.13 29.55 2pfi s GLU 629 CO 0.02 0.58 0.94 -1.25 -0.49 0.00 0.00 175.26 175.06 2pfi s PRO 630 N -1.97 3.95 -0.20 0.39 0.04 -1.26 -1.19 135.00 134.76 2pfi s PRO 630 Ca 0.23 0.88 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 2pfi s PRO 630 Cb -0.12 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2pfi s PRO 630 CO 0.15 -0.20 0.59 0.08 0.04 0.00 0.00 177.00 177.66 2pfi s VAL 631 N -2.53 5.05 -0.05 -0.36 1.01 -1.26 -4.76 120.40 117.50 2pfi s VAL 631 Ca 0.58 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.67 2pfi s VAL 631 Cb -0.10 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2pfi s VAL 631 CO 0.29 0.13 0.05 0.35 0.00 0.00 0.00 175.10 175.93 2pfi n THR 632 N 4.64 0.00 -3.60 3.92 -2.24 -1.26 -5.05 114.28 110.70 2pfi n THR 632 Ca -0.03 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 2pfi n THR 632 Cb 0.50 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.28 -0.61 0.22 3.22 2.96 -1.26 -5.18 118.68 115.75 2pfi s LEU 633 Ca 0.00 0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 54.77 2pfi s LEU 633 Cb 0.01 2.27 0.00 0.00 0.50 0.00 0.00 46.19 48.98 2pfi s LEU 633 CO 0.06 -0.33 0.47 0.42 -1.32 0.00 0.00 176.35 175.64 2pfi s THR 634 N -0.25 0.02 0.43 3.68 -4.23 -1.26 -4.70 115.64 109.33 2pfi s THR 634 Ca -0.02 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 2pfi s THR 634 Cb -0.03 -1.96 0.01 0.00 1.34 0.00 0.00 72.50 71.85 2pfi s THR 634 CO 0.02 -0.09 0.53 -0.76 -0.54 0.00 0.00 174.62 173.78 2pfi s LEU 635 N -2.97 3.52 0.15 4.79 1.43 -0.42 -5.00 118.68 120.18 2pfi s LEU 635 Ca 0.17 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2pfi s LEU 635 Cb -0.00 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2pfi s LEU 635 CO 0.04 -0.78 -0.14 -0.36 0.23 0.00 0.00 176.35 175.34 2pfi s PHE 636 N -2.42 1.49 0.38 0.29 0.40 -1.26 -1.69 117.98 115.17 2pfi s PHE 636 Ca 0.53 -0.58 0.12 0.00 -0.60 0.00 0.00 56.93 56.40 2pfi s PHE 636 Cb -0.08 -0.75 0.91 0.00 0.51 0.00 0.00 43.02 43.61 2pfi s PHE 636 CO 0.32 0.20 1.86 0.77 0.70 0.00 0.00 175.22 179.07 2pfi h SER 637 N 3.17 0.57 0.32 1.36 0.02 -1.68 -1.67 113.55 115.64 2pfi h SER 637 Ca -0.39 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2pfi h SER 637 Cb 1.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2pfi h SER 637 CO 0.55 0.27 -0.26 -0.62 -1.14 0.00 0.00 176.83 175.63 2pfi n GLU 638 N -4.56 0.66 -1.73 3.45 -0.58 -1.26 -1.57 120.64 115.05 2pfi n GLU 638 Ca 0.18 -0.35 -0.42 0.00 -0.42 0.00 0.00 57.16 56.14 2pfi n GLU 638 Cb 0.54 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.92 2pfi n GLU 638 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2pfi n THR 639 N -0.86 1.80 -2.20 2.62 -1.04 -0.63 -4.74 114.28 109.23 2pfi n THR 639 Ca 0.11 -0.45 -0.29 0.00 -2.04 0.00 0.00 64.05 61.39 2pfi n THR 639 Cb 0.33 -1.76 0.03 0.00 -1.82 0.00 0.00 70.33 67.11 2pfi n THR 639 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2pfi s THR 640 N -0.89 4.02 0.22 12.58 -4.23 -1.26 -0.35 115.64 125.73 2pfi s THR 640 Ca 0.57 0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 61.33 2pfi s THR 640 Cb -0.53 -3.61 0.18 0.00 1.34 0.00 0.00 72.50 69.88 2pfi s THR 640 CO 0.60 -0.70 1.82 0.25 -0.54 0.00 0.00 174.62 176.05 2pfi h LEU 641 N -0.27 1.08 -0.38 4.79 5.85 -0.53 0.11 115.31 125.96 2pfi h LEU 641 Ca -0.45 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.17 2pfi h LEU 641 Cb 1.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 2pfi h LEU 641 CO 0.62 0.90 0.18 -0.74 -0.34 0.00 0.00 178.44 179.06 2pfi h HIS 642 N 1.18 0.33 -0.39 1.25 2.76 -1.44 0.12 115.15 118.96 2pfi h HIS 642 Ca 0.29 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.41 2pfi h HIS 642 Cb 0.09 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2pfi h HIS 642 CO 0.01 0.17 -0.01 1.96 -1.30 0.00 0.00 177.93 178.76 2pfi h GLN 643 N 0.37 0.70 -0.48 5.26 4.20 -1.70 -2.27 115.11 121.19 2pfi h GLN 643 Ca 0.16 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2pfi h GLN 643 Cb 0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2pfi h GLN 643 CO -0.12 0.80 0.28 0.00 -0.67 0.00 0.00 178.83 179.12 2pfi h ALA 644 N 0.88 0.62 0.02 3.87 0.00 -0.43 -0.80 119.26 123.41 2pfi h ALA 644 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pfi h ALA 644 Cb 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2pfi h ALA 644 CO 0.02 0.12 -0.01 1.96 0.00 0.00 0.00 179.25 181.33 2pfi h GLN 645 N 0.64 -0.03 -0.71 0.00 4.20 -0.71 -1.03 115.11 117.46 2pfi h GLN 645 Ca 0.17 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.91 2pfi h GLN 645 Cb 0.01 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2pfi h GLN 645 CO -0.03 -0.02 0.45 -0.91 -0.67 0.00 0.00 178.83 177.65 2pfi h ASN 646 N -0.03 0.76 -0.01 1.46 2.35 -1.24 -0.45 115.58 118.41 2pfi h ASN 646 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2pfi h ASN 646 Cb 0.03 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2pfi h ASN 646 CO 0.00 0.53 0.01 0.25 -1.65 0.00 0.00 177.43 176.57 2pfi h LEU 647 N 0.90 0.01 -0.59 1.61 5.85 -0.87 -0.37 115.31 121.86 2pfi h LEU 647 Ca 0.28 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 2pfi h LEU 647 Cb -0.01 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2pfi h LEU 647 CO -0.10 0.02 0.21 -0.26 -0.34 0.00 0.00 178.44 177.98 2pfi h PHE 648 N 0.01 0.92 0.11 1.25 -1.00 -0.90 -1.99 116.94 115.32 2pfi h PHE 648 Ca 0.00 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 2pfi h PHE 648 Cb 0.01 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.30 2pfi h PHE 648 CO -0.07 0.75 -0.05 0.87 -1.61 0.00 0.00 178.31 178.19 2pfi h LYS 649 N 0.82 -0.14 -0.04 1.51 1.57 -0.97 -0.48 116.57 118.83 2pfi h LYS 649 Ca 0.19 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2pfi h LYS 649 Cb 0.24 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2pfi h LYS 649 CO -0.01 0.25 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.69 2pfi h LEU 650 N -0.56 0.08 -2.31 2.94 3.38 -1.11 -2.94 115.31 114.80 2pfi h LEU 650 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pfi h LEU 650 Cb 0.45 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2pfi h LEU 650 CO 0.02 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.17 2pfi n LEU 651 N -4.10 3.38 -3.71 1.67 4.77 -0.75 -4.98 117.00 113.28 2pfi n LEU 651 Ca -0.02 -1.48 -0.26 0.00 -0.03 0.00 0.00 56.01 54.22 2pfi n LEU 651 Cb 0.41 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2pfi n LEU 651 CO 0.39 0.72 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.88 2pfi n ASN 652 N 1.42 -3.29 -4.94 -1.43 5.15 -0.60 -4.98 115.26 106.59 2pfi n ASN 652 Ca 0.18 -0.94 -0.25 0.00 -0.60 0.00 0.00 54.58 52.97 2pfi n ASN 652 Cb 0.59 -3.62 -0.02 0.00 -0.53 0.00 0.00 39.78 36.20 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 -6.55 4.10 -0.08 1.20 1.43 -0.29 -5.02 118.68 113.48 2pfi s LEU 653 Ca 0.25 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 2pfi s LEU 653 Cb -0.08 -3.24 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 2pfi s LEU 653 CO 0.85 -0.20 0.01 0.00 0.23 0.00 0.00 176.35 177.24 2pfi n GLN 654 N -1.42 2.44 -3.52 1.70 1.13 -1.26 -4.86 117.38 111.59 2pfi n GLN 654 Ca -0.05 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.92 2pfi n GLN 654 Cb 0.56 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.67 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 -4.09 -0.38 -0.01 1.08 1.04 -1.26 -3.23 113.70 106.86 2pfi s SER 655 Ca -0.05 0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.31 2pfi s SER 655 Cb 0.02 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.55 2pfi s SER 655 CO 0.32 -0.57 0.34 -0.76 0.98 0.00 0.00 173.24 173.54 2pfi s LEU 656 N -2.21 0.73 0.60 2.42 1.43 -0.59 -5.00 118.68 116.05 2pfi s LEU 656 Ca 0.03 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 2pfi s LEU 656 Cb -0.01 1.39 -0.04 0.00 0.03 0.00 0.00 46.19 47.56 2pfi s LEU 656 CO -0.07 -0.48 0.98 -0.36 0.23 0.00 0.00 176.35 176.65 2pfi s PHE 657 N -1.48 3.60 -0.07 0.29 0.40 -1.26 -1.00 117.98 118.46 2pfi s PHE 657 Ca -0.12 1.18 0.05 0.00 -0.60 0.00 0.00 56.93 57.43 2pfi s PHE 657 Cb -0.04 -2.65 -0.01 0.00 0.51 0.00 0.00 43.02 40.82 2pfi s PHE 657 CO 0.04 -0.63 -0.22 0.08 0.70 0.00 0.00 175.22 175.19 2pfi s VAL 658 N -3.10 2.33 0.23 -0.44 1.01 0.66 -1.30 120.40 119.79 2pfi s VAL 658 Ca 0.54 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.67 2pfi s VAL 658 Cb -0.11 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 2pfi s VAL 658 CO 0.52 0.56 -0.21 0.42 0.00 0.00 0.00 175.10 176.39 2pfi s THR 659 N -0.10 2.32 -0.11 3.92 -4.23 -0.68 -1.17 115.64 115.59 2pfi s THR 659 Ca -0.05 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 2pfi s THR 659 Cb -0.14 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.59 2pfi s THR 659 CO 0.04 -0.28 0.14 -0.55 -0.54 0.00 0.00 174.62 173.44 2pfi s SER 660 N -3.04 1.14 -1.45 3.99 0.15 -0.31 -1.67 113.70 112.51 2pfi s SER 660 Ca 0.24 0.07 -0.09 0.00 0.70 0.00 0.00 55.95 56.88 2pfi s SER 660 Cb -0.06 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.44 2pfi s SER 660 CO 0.11 -0.27 0.73 0.54 1.20 0.00 0.00 173.24 175.55 2pfi n ARG 661 N 5.31 -4.94 0.00 5.44 1.74 -1.26 -1.18 116.66 121.77 2pfi n ARG 661 Ca -0.05 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2pfi n ARG 661 Cb 0.50 -5.54 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 -1.51 2.62 3.81 -0.13 0.00 -1.26 -5.02 105.19 103.69 2pfi n GLY 662 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.13 4.20 -0.17 1.61 0.52 -0.33 -1.41 118.95 123.25 2pfi s ARG 663 Ca 0.00 0.75 -0.29 0.00 -0.52 0.00 0.00 55.73 55.67 2pfi s ARG 663 Cb 0.00 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 2pfi s ARG 663 CO 0.00 0.59 1.32 0.00 0.02 0.00 0.00 175.30 177.23 2pfi s ALA 664 N -1.20 3.62 0.00 2.13 0.00 -0.62 -1.16 121.76 124.53 2pfi s ALA 664 Ca 0.32 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2pfi s ALA 664 Cb -0.19 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2pfi s ALA 664 CO 0.20 -1.28 0.09 1.33 0.00 0.00 0.00 175.76 176.11 2pfi n VAL 665 N 5.49 0.00 -3.07 0.00 0.24 -0.32 -4.96 118.33 115.71 2pfi n VAL 665 Ca 0.14 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2pfi n VAL 665 Cb 0.45 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 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 0.64 -1.28 3.24 7.63 0.00 -1.19 -4.65 105.19 109.58 2pfi n GLY 666 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.82 0.77 0.42 0.00 1.01 -0.17 -0.59 120.40 119.02 2pfi s VAL 668 Ca -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2pfi s VAL 668 Cb 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 2pfi s VAL 668 CO -0.05 0.26 0.14 -0.94 0.00 0.00 0.00 175.10 174.51 2pfi s SER 669 N 0.46 2.84 0.62 3.32 1.04 -1.26 -1.54 113.70 119.18 2pfi s SER 669 Ca -0.08 -1.71 0.40 0.00 0.48 0.00 0.00 55.95 55.04 2pfi s SER 669 Cb -0.11 0.57 2.01 0.00 0.10 0.00 0.00 66.02 68.59 2pfi s SER 669 CO 0.01 -0.97 2.23 -0.50 0.98 0.00 0.00 173.24 174.98 2pfi h TRP 670 N 1.75 0.00 0.03 5.02 4.06 -1.91 -1.68 115.95 123.22 2pfi h TRP 670 Ca -0.34 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.61 2pfi h TRP 670 Cb 1.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 2pfi h TRP 670 CO 1.63 0.01 -0.01 0.28 -3.56 0.00 0.00 178.44 176.79 2pfi h VAL 671 N 0.00 1.04 -0.22 1.49 2.07 -1.95 0.50 116.25 119.18 2pfi h VAL 671 Ca -0.00 -0.21 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 2pfi h VAL 671 Cb 0.19 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2pfi h VAL 671 CO 0.00 0.05 -0.60 -0.33 0.02 0.00 0.00 177.57 176.71 2pfi h GLU 672 N -0.13 0.73 -0.33 1.57 3.07 -1.76 -2.85 114.58 114.88 2pfi h GLU 672 Ca -0.00 -0.49 -0.01 0.00 -0.50 0.00 0.00 59.36 58.36 2pfi h GLU 672 Cb 0.12 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2pfi h GLU 672 CO 0.01 1.11 0.17 1.98 -1.40 0.00 0.00 179.01 180.89 2pfi h MET 673 N 0.55 0.46 -0.63 2.33 4.05 -1.22 -1.65 114.93 118.81 2pfi h MET 673 Ca -0.00 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 2pfi h MET 673 Cb 1.19 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 2pfi h MET 673 CO 0.12 0.40 0.25 0.87 0.23 0.00 0.00 176.91 178.78 2pfi h LYS 674 N 0.40 0.93 -0.58 0.39 1.57 -0.92 -1.30 116.57 117.07 2pfi h LYS 674 Ca 0.11 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2pfi h LYS 674 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2pfi h LYS 674 CO -0.02 0.76 0.02 0.87 -0.57 0.00 0.00 179.45 180.52 2pfi h LYS 675 N 0.91 1.00 -0.52 3.15 1.57 -1.25 -0.65 116.57 120.79 2pfi h LYS 675 Ca 0.21 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2pfi h LYS 675 Cb 0.19 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2pfi h LYS 675 CO -0.02 0.99 0.17 0.00 -0.57 0.00 0.00 179.45 180.02 2pfi h ALA 676 N 0.98 0.68 -0.67 3.86 0.00 -0.89 -0.30 119.26 122.92 2pfi h ALA 676 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2pfi h ALA 676 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2pfi h ALA 676 CO 0.03 0.33 0.21 0.82 0.00 0.00 0.00 179.25 180.63 2pfi h ILE 677 N 0.71 1.25 -0.57 0.00 2.04 -1.08 -2.68 117.51 117.17 2pfi h ILE 677 Ca 0.17 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 2pfi h ILE 677 Cb 0.26 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2pfi h ILE 677 CO -0.01 0.34 0.25 -1.28 0.00 0.00 0.00 178.15 177.45 2pfi h SER 678 N 0.98 0.78 0.30 1.72 0.87 -0.81 -2.63 113.55 114.76 2pfi h SER 678 Ca 0.22 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2pfi h SER 678 Cb 0.31 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2pfi h SER 678 CO -0.01 0.72 0.00 0.78 -0.53 0.00 0.00 176.83 177.80 2pfi h ASN 679 N 0.79 0.00 -0.51 6.23 2.35 -0.73 -1.13 115.58 122.57 2pfi h ASN 679 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2pfi h ASN 679 Cb 0.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2pfi h ASN 679 CO -0.02 0.00 0.32 -0.07 -1.65 0.00 0.00 177.43 176.01 2pfi h LEU 680 N 0.00 0.61 0.00 1.61 3.38 -1.23 -2.78 115.31 116.90 2pfi h LEU 680 Ca 0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2pfi h LEU 680 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2pfi h LEU 680 CO 0.00 0.48 -2.01 0.35 0.09 0.00 0.00 178.44 177.35 2pfi n THR 681 N -4.69 0.26 -3.24 0.22 -2.24 -1.08 -4.71 114.28 98.80 2pfi n THR 681 Ca 0.03 -0.54 -0.25 0.00 -2.27 0.00 0.00 64.05 61.02 2pfi n THR 681 Cb 0.05 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.13 2pfi n THR 681 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2pfi n ASN 682 N -2.31 0.86 -4.76 3.42 4.05 -0.45 -5.12 115.26 110.95 2pfi n ASN 682 Ca -0.09 -2.83 -0.41 0.00 0.45 0.00 0.00 54.58 51.70 2pfi n ASN 682 Cb 0.65 -0.64 -0.02 0.00 1.23 0.00 0.00 39.78 41.00 2pfi n ASN 682 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2pfi s PRO 683 N -1.41 4.24 0.71 1.20 0.04 -1.05 -4.38 135.00 134.34 2pfi s PRO 683 Ca 0.36 2.37 -0.15 0.00 0.04 0.00 0.00 61.00 63.63 2pfi s PRO 683 Cb 0.16 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.68 2pfi s PRO 683 CO -0.09 -0.39 1.15 -2.14 0.04 0.00 0.00 177.00 175.57 2pfi s PRO 684 N -1.32 2.41 0.45 0.56 0.02 -1.26 -4.99 135.00 130.85 2pfi s PRO 684 Ca 0.54 1.56 -0.21 0.00 0.02 0.00 0.00 61.00 62.91 2pfi s PRO 684 Cb -0.43 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 2pfi s PRO 684 CO 0.52 -1.59 1.00 0.00 -0.33 0.00 0.00 177.00 176.61 2pfi s ALA 685 N -2.21 2.97 0.30 -1.55 0.00 -1.26 -4.97 121.76 115.04 2pfi s ALA 685 Ca 0.70 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 2pfi s ALA 685 Cb -0.24 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 2pfi s ALA 685 CO 0.44 -0.12 1.59 -1.25 0.00 0.00 0.00 175.76 176.43 2pfi s PRO 686 N -3.07 4.12 0.49 0.00 0.04 -1.26 -4.97 135.00 130.35 2pfi s PRO 686 Ca 0.63 2.59 -0.19 0.00 0.04 0.00 0.00 61.00 64.07 2pfi s PRO 686 Cb -0.15 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.29 2pfi s PRO 686 CO 0.19 -0.63 0.99 0.15 0.04 0.00 0.00 177.00 177.73 2pfi s LYS 687 N -0.58 3.96 -0.05 4.56 1.02 -1.26 -5.05 119.74 122.33 2pfi s LYS 687 Ca 0.63 1.11 -0.12 0.00 0.02 0.00 0.00 55.97 57.61 2pfi s LYS 687 Cb -0.48 -2.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 2pfi s LYS 687 CO 0.49 -0.27 0.31 -1.21 -0.92 0.00 0.00 175.35 173.75 2pfi s GLU 688 N -3.60 3.77 0.07 1.68 2.02 -1.26 -5.09 118.70 116.29 2pfi s GLU 688 Ca 0.62 0.21 0.04 0.00 0.02 0.00 0.00 54.97 55.86 2pfi s GLU 688 Cb -0.11 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 2pfi s GLU 688 CO 0.23 0.70 -0.11 -0.06 0.02 0.00 0.00 175.26 176.04 2pfi s PHE 689 N -0.98 1.02 0.12 1.61 0.40 -1.26 -5.16 117.98 113.73 2pfi s PHE 689 Ca 0.20 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 2pfi s PHE 689 Cb -0.15 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 2pfi s PHE 689 CO 0.10 0.00 0.02 -0.51 0.70 0.00 0.00 175.22 175.53 2pfi s LEU 690 N -1.91 3.50 0.11 -0.37 1.43 -1.26 -5.12 118.68 115.07 2pfi s LEU 690 Ca -0.02 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 2pfi s LEU 690 Cb -0.08 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 2pfi s LEU 690 CO 0.01 0.14 0.46 -0.70 0.23 0.00 0.00 176.35 176.50 2pfi s GLU 691 N -2.54 3.85 -0.73 1.70 2.12 -1.26 -5.03 118.70 116.82 2pfi s GLU 691 Ca 0.27 0.30 -0.22 0.00 0.36 0.00 0.00 54.97 55.67 2pfi s GLU 691 Cb -0.11 -2.96 0.07 0.00 0.26 0.00 0.00 34.13 31.39 2pfi s GLU 691 CO 0.19 0.52 1.05 0.08 -0.54 0.00 0.00 175.26 176.56 2pfi s VAL 692 N -1.43 4.30 -2.56 3.70 1.01 -1.26 -5.38 120.40 118.78 2pfi s VAL 692 Ca 0.35 -0.48 0.27 0.00 0.00 0.00 0.00 61.98 62.13 2pfi s VAL 692 Cb -0.14 -4.74 0.50 0.00 0.00 0.00 0.00 36.38 32.00 2pfi s VAL 692 CO 0.19 -1.53 1.68 0.18 0.00 0.00 0.00 175.10 175.62