#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g49 s PHE 528 N 0.00 2.95 0.04 5.64 2.19 -1.26 -5.03 117.98 122.52 3g49 s PHE 528 Ca 0.00 0.87 0.05 0.00 0.33 0.00 0.00 56.93 58.18 3g49 s PHE 528 Cb 0.00 -3.91 -0.04 0.00 -1.31 0.00 0.00 43.02 37.76 3g49 s PHE 528 CO 0.00 -3.10 -0.10 1.03 1.83 0.00 0.00 175.22 174.89 3g49 s ARG 529 N -0.10 2.34 0.51 10.12 3.00 -1.26 -5.01 118.95 128.54 3g49 s ARG 529 Ca 0.63 -0.86 0.16 0.00 0.00 0.00 0.00 55.73 55.65 3g49 s ARG 529 Cb -0.44 -2.38 1.22 0.00 0.00 0.00 0.00 34.95 33.35 3g49 s ARG 529 CO 0.42 0.56 2.12 -1.35 0.00 0.00 0.00 175.30 177.05 3g49 h PRO 530 N 4.24 0.00 0.00 3.54 0.11 -1.97 -1.56 132.00 136.36 3g49 h PRO 530 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3g49 h PRO 530 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3g49 h PRO 530 CO 0.52 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 179.28 3g49 h GLU 531 N 0.00 0.00 -0.45 1.05 3.07 -1.95 -2.72 114.58 113.58 3g49 h GLU 531 Ca -0.00 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.99 3g49 h GLU 531 Cb 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 3g49 h GLU 531 CO 0.00 0.00 0.36 0.52 -1.40 0.00 0.00 179.01 178.50 3g49 h MET 532 N 0.00 0.00 -0.00 2.33 2.86 -1.65 -3.06 114.93 115.40 3g49 h MET 532 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g49 h MET 532 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3g49 h MET 532 CO 0.00 0.00 -0.73 1.28 1.06 0.00 0.00 176.91 178.52 3g49 n LEU 533 N -4.16 1.17 -4.62 1.22 7.99 -1.03 -4.84 117.00 112.75 3g49 n LEU 533 Ca 0.08 -0.58 -0.48 0.00 -0.01 0.00 0.00 56.01 55.02 3g49 n LEU 533 Cb 0.56 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.83 3g49 n LEU 533 CO 0.34 0.26 0.89 1.67 -1.51 0.00 0.00 177.39 179.04 3g49 n GLN 534 N -1.01 1.52 -0.76 3.23 -0.06 -1.09 -2.10 117.38 117.10 3g49 n GLN 534 Ca 0.05 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.59 3g49 n GLN 534 Cb 0.33 -2.15 0.00 0.00 -4.06 0.00 0.00 30.24 24.36 3g49 n GLN 534 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g49 n GLY 535 N 2.34 0.00 3.81 1.69 0.00 0.64 -4.87 105.19 108.81 3g49 n GLY 535 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3g49 n GLY 535 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g49 s LYS 536 N -1.52 4.25 -0.20 1.61 3.01 -0.89 -4.74 119.74 121.26 3g49 s LYS 536 Ca 0.00 1.15 -0.06 0.00 -1.01 0.00 0.00 55.97 56.06 3g49 s LYS 536 Cb 0.00 -2.24 -0.03 0.00 -1.01 0.00 0.00 37.83 34.55 3g49 s LYS 536 CO 0.00 -0.02 0.02 0.15 0.51 0.00 0.00 175.35 176.01 3g49 s LYS 537 N -3.07 3.71 -0.09 1.68 1.02 -1.26 -0.91 119.74 120.83 3g49 s LYS 537 Ca 0.61 -0.48 -0.06 0.00 0.02 0.00 0.00 55.97 56.06 3g49 s LYS 537 Cb -0.10 -3.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.12 3g49 s LYS 537 CO 0.14 0.08 0.22 0.08 -0.92 0.00 0.00 175.35 174.95 3g49 s VAL 538 N 0.84 -0.01 -0.12 3.17 1.01 -0.43 -1.09 120.40 123.77 3g49 s VAL 538 Ca 0.01 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3g49 s VAL 538 Cb -0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 3g49 s VAL 538 CO 0.02 0.02 0.24 -0.63 0.00 0.00 0.00 175.10 174.75 3g49 s ILE 539 N 0.50 5.34 -0.11 2.22 1.01 -0.79 -1.93 121.20 127.43 3g49 s ILE 539 Ca -0.03 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.07 3g49 s ILE 539 Cb -0.05 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 3g49 s ILE 539 CO -0.03 0.51 -0.16 -0.69 0.00 0.00 0.00 174.94 174.58 3g49 s VAL 540 N -0.37 2.80 0.37 2.92 1.01 -0.92 -1.02 120.40 125.20 3g49 s VAL 540 Ca 0.16 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3g49 s VAL 540 Cb -0.13 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 3g49 s VAL 540 CO 0.05 0.54 0.53 0.42 0.00 0.00 0.00 175.10 176.63 3g49 s THR 541 N 0.19 3.84 -1.43 3.92 -4.23 0.05 -2.12 115.64 115.87 3g49 s THR 541 Ca -0.10 -0.92 -0.10 0.00 -1.18 0.00 0.00 61.69 59.40 3g49 s THR 541 Cb -0.16 -3.34 0.06 0.00 1.34 0.00 0.00 72.50 70.41 3g49 s THR 541 CO 0.06 -0.15 0.68 0.61 -0.54 0.00 0.00 174.62 175.27 3g49 n GLY 542 N -1.76 -0.50 0.81 3.99 0.00 -0.56 -3.73 105.19 103.44 3g49 n GLY 542 Ca 0.02 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3g49 n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g49 n ALA 543 N -3.90 2.47 0.13 4.61 0.00 -1.04 -3.78 120.51 119.00 3g49 n ALA 543 Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.72 3g49 n ALA 543 Cb 0.55 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 19.03 3g49 n ALA 543 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g49 h SER 544 N 3.10 0.00 -0.74 0.00 4.64 -1.90 -3.17 113.55 115.48 3g49 h SER 544 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g49 h SER 544 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3g49 h SER 544 CO 0.00 0.48 0.00 2.29 -0.87 0.00 0.00 176.83 178.73 3g49 n LYS 545 N -3.17 0.00 0.00 4.77 2.85 -1.26 -4.84 118.16 116.50 3g49 n LYS 545 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3g49 n LYS 545 Cb 0.73 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.11 3g49 n LYS 545 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3g49 n GLY 546 N 0.00 0.82 0.47 2.58 0.00 -1.26 -0.62 105.19 107.18 3g49 n GLY 546 Ca 0.00 -0.74 0.29 0.00 0.00 0.00 0.00 46.02 45.58 3g49 n GLY 546 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g49 h ILE 547 N 0.00 0.44 -0.09 -0.61 2.04 -1.89 -2.97 117.51 114.43 3g49 h ILE 547 Ca 0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3g49 h ILE 547 Cb 0.00 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 3g49 h ILE 547 CO 0.00 0.04 -0.07 1.23 0.00 0.00 0.00 178.15 179.34 3g49 h GLY 548 N 0.20 0.23 0.47 5.37 0.00 -1.59 -1.10 103.07 106.65 3g49 h GLY 548 Ca 0.60 -0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.80 3g49 h GLY 548 CO -0.18 0.21 0.38 -0.09 0.00 0.00 0.00 176.54 176.86 3g49 h ARG 549 N -0.18 0.62 0.00 4.80 2.43 -0.72 -1.72 114.38 119.62 3g49 h ARG 549 Ca 0.02 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3g49 h ARG 549 Cb 0.56 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3g49 h ARG 549 CO 0.02 0.41 -0.25 0.93 -1.51 0.00 0.00 179.97 179.57 3g49 h GLU 550 N 0.64 0.00 -0.05 0.20 4.39 -1.31 -1.75 114.58 116.70 3g49 h GLU 550 Ca 0.37 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.99 3g49 h GLU 550 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3g49 h GLU 550 CO -0.27 0.25 -0.29 0.82 -1.16 0.00 0.00 179.01 178.37 3g49 h ILE 551 N 0.00 1.45 -0.87 3.13 2.04 -0.45 -1.98 117.51 120.84 3g49 h ILE 551 Ca -0.00 -1.75 0.12 0.00 1.00 0.00 0.00 64.86 64.23 3g49 h ILE 551 Cb 0.58 2.42 -0.08 0.00 -0.74 0.00 0.00 36.82 39.00 3g49 h ILE 551 CO 0.03 0.49 0.49 0.00 0.00 0.00 0.00 178.15 179.17 3g49 h ALA 552 N 0.39 1.28 -0.25 1.87 0.00 -0.61 -1.80 119.26 120.14 3g49 h ALA 552 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3g49 h ALA 552 Cb 0.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3g49 h ALA 552 CO 0.06 0.06 -0.13 1.88 0.00 0.00 0.00 179.25 181.12 3g49 h TYR 553 N 0.78 0.61 -0.35 0.00 0.05 -1.32 -0.68 116.97 116.07 3g49 h TYR 553 Ca 0.44 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 59.02 3g49 h TYR 553 Cb 0.48 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 3g49 h TYR 553 CO -0.06 0.80 0.02 0.45 -1.05 0.00 0.00 178.16 178.32 3g49 h HIS 554 N 0.25 0.54 -0.18 4.88 3.86 -0.98 -2.25 115.15 121.27 3g49 h HIS 554 Ca 0.05 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3g49 h HIS 554 Cb 0.64 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 3g49 h HIS 554 CO 0.06 0.52 -0.17 -0.07 0.86 0.00 0.00 177.93 179.14 3g49 h LEU 555 N 0.51 0.46 -0.51 2.43 3.38 -0.35 -2.94 115.31 118.29 3g49 h LEU 555 Ca 0.11 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3g49 h LEU 555 Cb 0.30 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3g49 h LEU 555 CO 0.01 0.84 -0.30 0.00 0.09 0.00 0.00 178.44 179.07 3g49 n ALA 556 N -2.43 -0.33 -0.28 1.53 0.00 -0.39 -2.07 120.51 116.54 3g49 n ALA 556 Ca -0.05 0.44 0.19 0.00 0.00 0.00 0.00 53.44 54.02 3g49 n ALA 556 Cb 0.38 0.05 0.49 0.00 0.00 0.00 0.00 19.45 20.36 3g49 n ALA 556 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3g49 h LYS 557 N 0.00 0.43 -0.31 0.00 1.57 -1.22 -0.52 116.57 116.52 3g49 h LYS 557 Ca 0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3g49 h LYS 557 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3g49 h LYS 557 CO -0.48 0.29 0.00 -1.33 -0.57 0.00 0.00 179.45 177.35 3g49 n MET 558 N -4.56 1.93 -0.60 3.15 2.81 -0.88 -4.86 117.12 114.11 3g49 n MET 558 Ca 0.21 -1.42 0.00 0.00 -1.81 0.00 0.00 57.70 54.68 3g49 n MET 558 Cb 0.73 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 3g49 n MET 558 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g49 n GLY 559 N 1.19 1.35 3.70 3.03 0.00 -0.21 -2.67 105.19 111.58 3g49 n GLY 559 Ca 0.16 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3g49 n GLY 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g49 s ALA 560 N -2.10 3.32 0.08 4.61 0.00 -1.05 0.24 121.76 126.86 3g49 s ALA 560 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 3g49 s ALA 560 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 3g49 s ALA 560 CO 0.00 0.68 1.00 -1.01 0.00 0.00 0.00 175.76 176.42 3g49 s HIS 561 N -1.19 3.72 -0.04 0.00 3.76 -0.08 -2.24 115.29 119.22 3g49 s HIS 561 Ca 0.22 1.72 0.03 0.00 -0.15 0.00 0.00 55.06 56.88 3g49 s HIS 561 Cb -0.12 -3.12 0.01 0.00 1.11 0.00 0.00 32.58 30.46 3g49 s HIS 561 CO 0.14 -0.03 -0.10 0.14 -0.85 0.00 0.00 174.74 174.03 3g49 s VAL 562 N 0.36 0.92 -0.27 -0.90 -7.23 -1.07 -1.31 120.40 110.90 3g49 s VAL 562 Ca 0.49 -0.41 -0.05 0.00 -1.81 0.00 0.00 61.98 60.20 3g49 s VAL 562 Cb -0.24 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 35.89 3g49 s VAL 562 CO 0.30 0.29 0.02 -0.69 -0.31 0.00 0.00 175.10 174.70 3g49 s VAL 563 N 0.31 3.57 0.10 1.32 1.01 -0.81 -1.38 120.40 124.52 3g49 s VAL 563 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3g49 s VAL 563 Cb -0.11 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3g49 s VAL 563 CO 0.01 0.18 0.26 0.68 0.00 0.00 0.00 175.10 176.23 3g49 s VAL 564 N 1.45 5.33 0.03 2.92 -7.23 -1.05 -2.16 120.40 119.70 3g49 s VAL 564 Ca 0.02 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.75 3g49 s VAL 564 Cb -0.16 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.09 3g49 s VAL 564 CO -0.00 0.04 0.02 0.28 -0.31 0.00 0.00 175.10 175.13 3g49 s THR 565 N -1.62 0.15 0.00 5.32 -1.32 -0.90 -2.67 115.64 114.60 3g49 s THR 565 Ca 0.36 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 3g49 s THR 565 Cb -0.12 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 3g49 s THR 565 CO 0.28 -0.68 0.00 0.00 -2.21 0.00 0.00 174.62 172.01 3g49 n ALA 566 N 0.86 0.00 -0.03 11.08 0.00 -1.25 -1.50 120.51 129.68 3g49 n ALA 566 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 3g49 n ALA 566 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.90 3g49 n ALA 566 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g49 h ARG 567 N 0.00 0.17 -6.16 0.00 3.08 -1.88 0.70 114.38 110.29 3g49 h ARG 567 Ca 0.00 -0.30 -0.57 0.00 0.07 0.00 0.00 59.98 59.18 3g49 h ARG 567 Cb 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3g49 h ARG 567 CO 0.00 1.14 1.34 -1.12 -1.07 0.00 0.00 179.97 180.26 3g49 s SER 568 N -6.98 5.89 0.17 7.04 0.01 -1.26 -4.42 113.70 114.15 3g49 s SER 568 Ca -0.24 1.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.82 3g49 s SER 568 Cb 0.06 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.81 3g49 s SER 568 CO 0.71 -1.61 1.62 0.50 0.41 0.00 0.00 173.24 174.88 3g49 h LYS 569 N 13.02 0.99 -0.55 12.44 3.64 -1.97 -2.84 116.57 141.30 3g49 h LYS 569 Ca -0.40 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 58.64 3g49 h LYS 569 Cb 1.21 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3g49 h LYS 569 CO 0.97 0.98 0.24 1.05 -2.27 0.00 0.00 179.45 180.43 3g49 h GLU 570 N 0.87 0.81 -0.23 1.90 9.09 -2.00 -0.48 114.58 124.53 3g49 h GLU 570 Ca 0.16 -0.14 -0.13 0.00 0.05 0.00 0.00 59.36 59.30 3g49 h GLU 570 Cb 0.54 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 3g49 h GLU 570 CO 0.03 0.69 -0.42 0.00 0.05 0.00 0.00 179.01 179.36 3g49 h ALA 571 N 1.08 0.84 0.00 1.06 0.00 -1.92 -2.88 119.26 117.44 3g49 h ALA 571 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3g49 h ALA 571 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3g49 h ALA 571 CO -0.02 0.65 -0.13 -0.07 0.00 0.00 0.00 179.25 179.67 3g49 h LEU 572 N 0.46 0.00 -0.48 0.00 3.38 -1.12 -2.57 115.31 114.97 3g49 h LEU 572 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3g49 h LEU 572 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3g49 h LEU 572 CO 0.08 0.13 -0.02 1.56 0.09 0.00 0.00 178.44 180.28 3g49 h GLN 573 N 0.00 0.86 -0.47 1.13 4.20 -0.90 -2.50 115.11 117.43 3g49 h GLN 573 Ca -0.00 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 3g49 h GLN 573 Cb 0.95 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3g49 h GLN 573 CO 0.02 0.92 0.28 0.87 -0.67 0.00 0.00 178.83 180.24 3g49 h LYS 574 N 0.72 0.64 -0.19 1.46 1.57 -1.33 -2.55 116.57 116.88 3g49 h LYS 574 Ca 0.13 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 3g49 h LYS 574 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3g49 h LYS 574 CO 0.03 0.48 -0.44 0.28 -0.57 0.00 0.00 179.45 179.22 3g49 h VAL 575 N 0.62 1.31 -0.28 0.50 2.07 -1.48 -2.47 116.25 116.53 3g49 h VAL 575 Ca 0.17 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 3g49 h VAL 575 Cb 0.01 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3g49 h VAL 575 CO -0.03 0.50 0.07 0.58 0.02 0.00 0.00 177.57 178.71 3g49 h VAL 576 N 0.38 1.21 -0.65 2.57 2.07 -1.14 -2.50 116.25 118.20 3g49 h VAL 576 Ca 0.03 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.88 3g49 h VAL 576 Cb 0.93 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3g49 h VAL 576 CO 0.08 0.23 0.38 0.00 0.02 0.00 0.00 177.57 178.28 3g49 h ALA 577 N 0.90 0.86 -0.71 1.67 0.00 -1.19 -2.35 119.26 118.44 3g49 h ALA 577 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3g49 h ALA 577 Cb 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3g49 h ALA 577 CO 0.00 0.09 0.46 -0.09 0.00 0.00 0.00 179.25 179.70 3g49 h ARG 578 N 0.72 0.89 -0.49 0.00 9.65 -1.32 -2.34 114.38 121.48 3g49 h ARG 578 Ca 0.28 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 59.02 3g49 h ARG 578 Cb 0.11 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 3g49 h ARG 578 CO -0.15 0.59 -0.04 0.00 2.80 0.00 0.00 179.97 183.17 3g49 h LEU 580 N 0.78 0.69 -0.38 0.00 3.38 -1.10 -1.70 115.31 116.98 3g49 h LEU 580 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3g49 h LEU 580 Cb 0.53 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3g49 h LEU 580 CO 0.03 0.47 0.21 -0.33 0.09 0.00 0.00 178.44 178.90 3g49 h GLU 581 N 0.83 0.53 0.00 1.13 5.08 -0.72 -2.98 114.58 118.45 3g49 h GLU 581 Ca 0.30 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3g49 h GLU 581 Cb 0.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3g49 h GLU 581 CO -0.14 0.44 0.00 1.28 -1.00 0.00 0.00 179.01 179.59 3g49 n LEU 582 N -4.75 0.39 0.00 1.33 4.77 -0.26 -4.86 117.00 113.63 3g49 n LEU 582 Ca -0.00 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3g49 n LEU 582 Cb 0.08 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3g49 n LEU 582 CO 0.36 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 3g49 n GLY 583 N -0.29 1.65 3.74 -0.72 0.00 -0.90 -3.79 105.19 104.88 3g49 n GLY 583 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3g49 n GLY 583 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g49 s ALA 584 N -2.00 3.68 0.45 4.61 0.00 -0.69 -4.35 121.76 123.46 3g49 s ALA 584 Ca 0.00 1.41 0.24 0.00 0.00 0.00 0.00 51.96 53.62 3g49 s ALA 584 Cb 0.00 -3.59 1.26 0.00 0.00 0.00 0.00 23.12 20.79 3g49 s ALA 584 CO 0.00 -0.82 1.79 0.00 0.00 0.00 0.00 175.76 176.72 3g49 h ALA 585 N 5.09 2.52 -2.42 0.00 0.00 -1.60 -3.45 119.26 119.41 3g49 h ALA 585 Ca -0.46 0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.67 3g49 h ALA 585 Cb 1.22 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3g49 h ALA 585 CO 0.79 -0.90 0.63 -1.54 0.00 0.00 0.00 179.25 178.23 3g49 s SER 586 N -5.25 -0.01 -0.29 0.00 1.04 -1.25 -4.91 113.70 103.02 3g49 s SER 586 Ca -0.07 -0.57 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 3g49 s SER 586 Cb 0.24 0.44 0.13 0.00 0.10 0.00 0.00 66.02 66.94 3g49 s SER 586 CO 0.80 -0.87 0.85 0.00 0.98 0.00 0.00 173.24 175.01 3g49 s ALA 587 N -2.27 -2.23 0.37 5.32 0.00 -1.26 -2.60 121.76 119.09 3g49 s ALA 587 Ca 0.22 2.25 0.03 0.00 0.00 0.00 0.00 51.96 54.46 3g49 s ALA 587 Cb -0.02 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 3g49 s ALA 587 CO 0.04 -0.57 0.10 -1.01 0.00 0.00 0.00 175.76 174.31 3g49 s HIS 588 N 1.89 1.83 0.25 0.00 3.76 -0.48 -4.98 115.29 117.57 3g49 s HIS 588 Ca -0.07 -1.14 0.02 0.00 -0.15 0.00 0.00 55.06 53.71 3g49 s HIS 588 Cb -0.06 -1.19 -0.05 0.00 1.11 0.00 0.00 32.58 32.39 3g49 s HIS 588 CO -0.17 -0.17 0.06 1.52 -0.85 0.00 0.00 174.74 175.12 3g49 s TYR 589 N -3.28 1.56 -0.03 1.40 -0.85 -1.26 -2.53 117.35 112.36 3g49 s TYR 589 Ca 0.29 -1.07 0.01 0.00 -0.52 0.00 0.00 57.07 55.79 3g49 s TYR 589 Cb 0.05 -0.93 0.02 0.00 0.38 0.00 0.00 41.96 41.48 3g49 s TYR 589 CO 0.15 -0.20 -0.04 0.42 -1.52 0.00 0.00 175.55 174.35 3g49 s ILE 590 N -3.60 0.45 -0.07 -3.49 1.01 -1.09 -4.97 121.20 109.44 3g49 s ILE 590 Ca 0.34 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.73 3g49 s ILE 590 Cb 0.07 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 3g49 s ILE 590 CO 0.11 0.19 0.37 0.00 0.00 0.00 0.00 174.94 175.61 3g49 s ALA 591 N 0.67 3.66 0.04 9.38 0.00 -1.26 -3.74 121.76 130.50 3g49 s ALA 591 Ca -0.08 -0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 3g49 s ALA 591 Cb -0.12 -2.39 0.09 0.00 0.00 0.00 0.00 23.12 20.71 3g49 s ALA 591 CO -0.00 0.33 1.03 0.20 0.00 0.00 0.00 175.76 177.32 3g49 s GLY 592 N -0.44 -0.34 0.02 0.00 0.00 0.24 -4.97 107.32 101.84 3g49 s GLY 592 Ca 0.21 0.65 -0.15 0.00 0.00 0.00 0.00 44.72 45.44 3g49 s GLY 592 CO 0.10 0.18 0.44 -0.45 0.00 0.00 0.00 173.10 173.36 3g49 s SER 593 N -2.73 6.84 0.00 1.64 0.15 -1.26 -2.88 113.70 115.46 3g49 s SER 593 Ca 0.10 1.01 0.25 0.00 0.70 0.00 0.00 55.95 58.01 3g49 s SER 593 Cb -0.00 -2.27 1.18 0.00 -1.71 0.00 0.00 66.02 63.22 3g49 s SER 593 CO -0.03 0.30 1.79 0.23 1.20 0.00 0.00 173.24 176.73 3g49 n MET 594 N 1.71 1.37 0.22 5.44 0.00 -1.26 -2.57 117.12 122.02 3g49 n MET 594 Ca -0.13 -0.55 0.07 0.00 0.00 0.00 0.00 57.70 57.10 3g49 n MET 594 Cb 0.52 -1.41 0.48 0.00 0.00 0.00 0.00 33.22 32.81 3g49 n MET 594 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3g49 h GLU 595 N 1.21 0.00 -4.50 0.03 5.08 -1.91 -3.41 114.58 111.07 3g49 h GLU 595 Ca 0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.64 3g49 h GLU 595 Cb 0.26 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.30 3g49 h GLU 595 CO 0.00 0.27 0.01 0.34 -1.00 0.00 0.00 179.01 178.63 3g49 s ASP 596 N -6.48 6.19 0.48 1.42 -1.08 -1.06 -4.90 116.67 111.24 3g49 s ASP 596 Ca -0.02 -1.55 0.15 0.00 -0.52 0.00 0.00 52.55 50.61 3g49 s ASP 596 Cb 0.13 -2.27 1.11 0.00 -1.46 0.00 0.00 42.92 40.42 3g49 s ASP 596 CO 0.66 -1.04 2.05 0.24 0.52 0.00 0.00 175.17 177.61 3g49 h MET 597 N 9.09 0.00 -0.37 4.34 2.86 -1.85 -0.74 114.93 128.26 3g49 h MET 597 Ca -0.30 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.19 3g49 h MET 597 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3g49 h MET 597 CO 1.08 0.12 -0.35 1.15 1.06 0.00 0.00 176.91 179.97 3g49 h THR 598 N 0.00 1.28 -0.62 2.22 2.02 -1.95 -2.31 112.91 113.55 3g49 h THR 598 Ca -0.00 -1.52 0.13 0.00 0.77 0.00 0.00 66.41 65.78 3g49 h THR 598 Cb 0.21 1.40 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 3g49 h THR 598 CO 0.01 0.51 0.05 0.15 0.37 0.00 0.00 175.52 176.61 3g49 h PHE 599 N 0.71 0.05 -0.15 3.16 3.57 -1.49 -1.99 116.94 120.80 3g49 h PHE 599 Ca 0.06 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3g49 h PHE 599 Cb 0.94 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 3g49 h PHE 599 CO 0.06 -0.12 0.07 0.00 -2.23 0.00 0.00 178.31 176.09 3g49 h ALA 600 N 1.54 0.18 -0.02 2.41 0.00 -0.91 0.18 119.26 122.65 3g49 h ALA 600 Ca 0.33 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3g49 h ALA 600 Cb 0.52 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3g49 h ALA 600 CO -0.49 -0.37 0.00 1.49 0.00 0.00 0.00 179.25 179.89 3g49 h GLU 601 N 0.15 0.02 -0.55 0.00 4.81 -1.34 -3.05 114.58 114.63 3g49 h GLU 601 Ca 0.06 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 3g49 h GLU 601 Cb 0.02 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3g49 h GLU 601 CO -0.05 0.23 -0.05 0.93 -0.73 0.00 0.00 179.01 179.35 3g49 h GLU 602 N -0.19 1.01 -1.05 1.92 5.08 -1.20 -3.01 114.58 117.14 3g49 h GLU 602 Ca 0.00 -0.35 0.32 0.00 -1.00 0.00 0.00 59.36 58.34 3g49 h GLU 602 Cb 0.22 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.26 3g49 h GLU 602 CO -0.00 1.03 0.62 0.35 -1.00 0.00 0.00 179.01 180.01 3g49 h PHE 603 N 0.89 0.85 0.18 4.33 3.57 -0.85 0.18 116.94 126.10 3g49 h PHE 603 Ca 0.15 0.03 -0.32 0.00 3.53 0.00 0.00 57.97 61.36 3g49 h PHE 603 Cb 0.61 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.13 3g49 h PHE 603 CO 0.04 -0.12 -1.51 0.28 -2.23 0.00 0.00 178.31 174.77 3g49 h VAL 604 N 0.33 1.21 -0.37 1.41 2.07 -1.53 -2.41 116.25 116.96 3g49 h VAL 604 Ca 0.72 -2.75 0.07 0.00 0.82 0.00 0.00 66.70 65.56 3g49 h VAL 604 Cb 1.72 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 34.32 3g49 h VAL 604 CO -0.53 0.84 -0.05 0.00 0.02 0.00 0.00 177.57 177.85 3g49 h ALA 605 N 0.31 0.29 -0.43 1.67 0.00 -0.96 -1.13 119.26 119.00 3g49 h ALA 605 Ca -0.25 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3g49 h ALA 605 Cb 2.08 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 20.08 3g49 h ALA 605 CO 0.21 -0.43 -0.17 1.49 0.00 0.00 0.00 179.25 180.35 3g49 h GLU 606 N 0.05 0.83 -0.06 0.00 4.81 -1.18 -2.51 114.58 116.52 3g49 h GLU 606 Ca 0.18 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3g49 h GLU 606 Cb 0.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3g49 h GLU 606 CO -0.34 0.95 -0.31 0.00 -0.73 0.00 0.00 179.01 178.57 3g49 h ALA 607 N 1.06 1.37 -0.06 2.92 0.00 -1.21 -1.38 119.26 121.95 3g49 h ALA 607 Ca 0.11 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 3g49 h ALA 607 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3g49 h ALA 607 CO 0.05 0.45 -0.83 0.78 0.00 0.00 0.00 179.25 179.70 3g49 h GLY 608 N 1.02 0.56 0.91 0.00 0.00 -0.79 -2.65 103.07 102.12 3g49 h GLY 608 Ca 0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 3g49 h GLY 608 CO 0.04 0.77 0.04 3.43 0.00 0.00 0.00 176.54 180.83 3g49 h ASN 609 N 0.32 0.11 -0.52 0.19 -0.26 -1.18 1.04 115.58 115.29 3g49 h ASN 609 Ca -0.06 -0.11 0.09 0.00 -0.56 0.00 0.00 56.30 55.66 3g49 h ASN 609 Cb 1.44 -0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 38.60 3g49 h ASN 609 CO 0.15 0.19 0.13 -0.07 -1.06 0.00 0.00 177.43 176.77 3g49 h LEU 610 N 0.02 0.05 0.00 1.61 3.38 -1.27 -3.01 115.31 116.09 3g49 h LEU 610 Ca 0.03 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3g49 h LEU 610 Cb 0.11 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3g49 h LEU 610 CO -0.00 0.05 -1.06 0.23 0.09 0.00 0.00 178.44 177.75 3g49 n MET 611 N -5.09 0.21 -0.97 1.13 2.81 -1.00 -4.99 117.12 109.22 3g49 n MET 611 Ca 0.06 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3g49 n MET 611 Cb 0.25 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 3g49 n MET 611 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g49 n GLY 612 N 1.41 0.43 0.00 3.03 0.00 0.34 -4.90 105.19 105.51 3g49 n GLY 612 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3g49 n GLY 612 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g49 n GLY 613 N -2.97 1.45 3.62 -0.02 0.00 -0.12 -4.99 105.19 102.15 3g49 n GLY 613 Ca 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.35 3g49 n GLY 613 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g49 s LEU 614 N 0.00 -0.95 -0.08 0.99 2.96 -1.26 -4.61 118.68 115.72 3g49 s LEU 614 Ca 0.00 1.40 0.14 0.00 -0.22 0.00 0.00 54.13 55.44 3g49 s LEU 614 Cb 0.00 2.21 -0.20 0.00 0.50 0.00 0.00 46.19 48.71 3g49 s LEU 614 CO 0.00 -0.21 0.17 0.47 -1.32 0.00 0.00 176.35 175.47 3g49 n ASP 615 N 4.80 1.58 -3.68 3.68 9.92 -0.25 -3.95 116.55 128.65 3g49 n ASP 615 Ca -0.15 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.01 3g49 n ASP 615 Cb 0.54 1.22 -0.10 0.00 -0.64 0.00 0.00 41.12 42.14 3g49 n ASP 615 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 3g49 s MET 616 N -2.65 0.45 -0.16 -1.24 0.00 -0.73 -1.90 119.30 113.06 3g49 s MET 616 Ca -0.06 0.89 -0.02 0.00 0.00 0.00 0.00 55.69 56.49 3g49 s MET 616 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 34.83 34.91 3g49 s MET 616 CO 0.59 -0.16 -0.07 -1.17 0.00 0.00 0.00 175.02 174.21 3g49 s LEU 617 N 1.52 2.94 -0.27 4.11 2.96 -0.41 -1.88 118.68 127.64 3g49 s LEU 617 Ca -0.09 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3g49 s LEU 617 Cb -0.08 -1.70 0.07 0.00 0.50 0.00 0.00 46.19 44.97 3g49 s LEU 617 CO -0.14 0.11 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.30 3g49 s ILE 618 N 0.69 2.11 -0.82 6.68 1.01 -0.19 -2.03 121.20 128.65 3g49 s ILE 618 Ca -0.04 -1.74 -0.12 0.00 0.00 0.00 0.00 60.65 58.75 3g49 s ILE 618 Cb -0.15 -2.31 0.22 0.00 0.01 0.00 0.00 42.46 40.23 3g49 s ILE 618 CO 0.02 -0.16 0.75 -0.76 0.00 0.00 0.00 174.94 174.79 3g49 s LEU 619 N 1.10 6.54 -0.02 2.97 1.43 -0.92 -0.77 118.68 129.02 3g49 s LEU 619 Ca -0.04 -2.78 0.02 0.00 -1.03 0.00 0.00 54.13 50.30 3g49 s LEU 619 Cb -0.20 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 3g49 s LEU 619 CO -0.06 -0.53 0.03 -3.20 0.23 0.00 0.00 176.35 172.82 3g49 n ASN 620 N 3.81 4.40 -4.54 2.29 2.85 -1.26 -1.61 115.26 121.20 3g49 n ASN 620 Ca 0.14 0.00 -0.47 0.00 -0.11 0.00 0.00 54.58 54.14 3g49 n ASN 620 Cb 0.45 0.78 -0.03 0.00 1.24 0.00 0.00 39.78 42.22 3g49 n ASN 620 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3g49 n HIS 621 N -1.90 0.79 -3.78 1.20 1.44 -1.24 -4.84 115.22 106.88 3g49 n HIS 621 Ca -0.03 0.78 -0.09 0.00 -2.01 0.00 0.00 57.72 56.37 3g49 n HIS 621 Cb 0.38 -2.17 -0.06 0.00 0.12 0.00 0.00 29.99 28.26 3g49 n HIS 621 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3g49 s VAL 622 N -0.87 0.11 -0.15 0.61 0.11 -1.26 -4.80 120.40 114.15 3g49 s VAL 622 Ca 0.63 -0.97 -0.07 0.00 -2.93 0.00 0.00 61.98 58.65 3g49 s VAL 622 Cb -0.80 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 3g49 s VAL 622 CO 0.57 -0.48 0.08 -0.22 -3.33 0.00 0.00 175.10 171.72 3g49 s LEU 623 N -2.85 3.97 -0.05 2.54 2.96 -1.26 -5.02 118.68 118.97 3g49 s LEU 623 Ca 0.06 0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.88 3g49 s LEU 623 Cb 0.03 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3g49 s LEU 623 CO -0.10 0.27 1.03 -0.47 -1.32 0.00 0.00 176.35 175.76 3g49 s TYR 624 N -0.20 3.53 -0.31 5.38 5.04 -1.26 -4.98 117.35 124.55 3g49 s TYR 624 Ca 0.08 1.57 -0.02 0.00 -2.44 0.00 0.00 57.07 56.27 3g49 s TYR 624 Cb -0.12 -3.20 0.11 0.00 0.35 0.00 0.00 41.96 39.10 3g49 s TYR 624 CO 0.01 -0.33 0.14 1.21 -1.34 0.00 0.00 175.55 175.23 3g49 s ASN 625 N 1.10 3.62 0.89 4.32 3.04 -1.26 -5.12 114.94 121.53 3g49 s ASN 625 Ca 0.51 -1.60 -0.16 0.00 0.04 0.00 0.00 52.86 51.65 3g49 s ASN 625 Cb -0.21 -0.56 -0.09 0.00 -1.54 0.00 0.00 41.25 38.85 3g49 s ASN 625 CO 0.23 -0.40 -0.25 -1.14 -3.04 0.00 0.00 177.10 172.50 3g49 n ARG 626 N 4.85 -0.03 -2.25 0.43 0.63 -1.26 -4.85 116.66 114.18 3g49 n ARG 626 Ca -0.01 0.01 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 3g49 n ARG 626 Cb 0.41 -1.32 -0.03 0.00 0.45 0.00 0.00 32.46 31.97 3g49 n ARG 626 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3g49 s LEU 627 N 4.29 4.37 -0.10 6.15 1.43 -1.26 -4.98 118.68 128.57 3g49 s LEU 627 Ca 0.50 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.52 3g49 s LEU 627 Cb -0.25 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.46 3g49 s LEU 627 CO 0.74 -0.59 0.72 0.28 0.23 0.00 0.00 176.35 177.73 3g49 s THR 628 N 1.07 0.00 0.25 5.49 -1.32 -1.01 -5.08 115.64 115.04 3g49 s THR 628 Ca 0.62 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.79 3g49 s THR 628 Cb -0.34 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.52 3g49 s THR 628 CO 0.30 0.00 1.57 0.49 -2.21 0.00 0.00 174.62 174.77 3g49 n PHE 629 N 1.22 2.59 -2.16 9.09 3.72 -1.26 -4.40 117.46 126.26 3g49 n PHE 629 Ca -0.17 0.26 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 3g49 n PHE 629 Cb 0.57 -2.57 -0.03 0.00 -0.94 0.00 0.00 39.48 36.51 3g49 n PHE 629 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3g49 s PHE 630 N 0.30 3.22 -0.21 1.38 5.36 -1.26 -4.94 117.98 121.83 3g49 s PHE 630 Ca 0.69 1.03 0.20 0.00 -0.96 0.00 0.00 56.93 57.90 3g49 s PHE 630 Cb -0.56 -3.68 0.45 0.00 -0.34 0.00 0.00 43.02 38.89 3g49 s PHE 630 CO 0.45 -2.28 1.19 -2.39 -1.46 0.00 0.00 175.22 170.73 3g49 n HIS 631 N 3.39 0.36 0.00 10.12 1.44 -1.26 -5.04 115.22 124.22 3g49 n HIS 631 Ca 0.09 -1.65 0.00 0.00 -2.01 0.00 0.00 57.72 54.16 3g49 n HIS 631 Cb 0.42 0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.67 3g49 n HIS 631 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3g49 n GLY 632 N -0.51 1.17 3.40 -1.39 0.00 -1.26 -5.03 105.19 101.58 3g49 n GLY 632 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3g49 n GLY 632 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g49 n GLU 633 N -1.38 0.71 0.05 1.61 4.71 -1.26 -4.76 120.64 120.32 3g49 n GLU 633 Ca 0.00 -1.60 -0.05 0.00 -0.01 0.00 0.00 57.16 55.50 3g49 n GLU 633 Cb 0.00 -3.06 0.14 0.00 -1.01 0.00 0.00 31.44 27.51 3g49 n GLU 633 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 3g49 h ILE 634 N 5.31 1.33 0.00 -3.67 6.09 -2.00 -3.08 117.51 121.49 3g49 h ILE 634 Ca 0.26 -1.71 -0.04 0.00 -1.37 0.00 0.00 64.86 62.00 3g49 h ILE 634 Cb 0.78 1.76 -0.01 0.00 0.47 0.00 0.00 36.82 39.82 3g49 h ILE 634 CO 1.72 0.52 -0.20 0.44 -3.07 0.00 0.00 178.15 177.56 3g49 h ASP 635 N 0.29 0.00 0.00 2.19 3.32 -1.99 -1.18 116.42 119.05 3g49 h ASP 635 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3g49 h ASP 635 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3g49 h ASP 635 CO 0.08 0.20 -1.57 -0.46 -1.72 0.00 0.00 179.24 175.77 3g49 n ASN 636 N -3.48 1.14 -0.08 6.45 2.04 -1.21 -1.04 115.26 119.07 3g49 n ASN 636 Ca -0.01 -0.16 -0.10 0.00 -0.44 0.00 0.00 54.58 53.87 3g49 n ASN 636 Cb 0.36 1.62 -0.03 0.00 -2.53 0.00 0.00 39.78 39.20 3g49 n ASN 636 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 3g49 h VAL 637 N 0.00 1.17 -0.21 3.53 2.07 -1.36 0.27 116.25 121.71 3g49 h VAL 637 Ca 0.00 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3g49 h VAL 637 Cb 0.69 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3g49 h VAL 637 CO 0.00 0.17 -0.01 -0.09 0.02 0.00 0.00 177.57 177.67 3g49 h ARG 638 N 0.29 0.06 0.05 1.57 2.43 -1.24 -1.64 114.38 115.90 3g49 h ARG 638 Ca 0.09 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3g49 h ARG 638 Cb 0.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3g49 h ARG 638 CO -0.01 0.04 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.25 3g49 h LYS 639 N 0.06 -0.06 -1.04 0.20 3.64 -1.05 -1.11 116.57 117.20 3g49 h LYS 639 Ca 0.10 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.84 3g49 h LYS 639 Cb 0.13 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 31.81 3g49 h LYS 639 CO -0.18 0.52 0.60 0.77 -2.27 0.00 0.00 179.45 178.90 3g49 h SER 640 N -0.73 0.45 0.09 4.20 0.02 -0.94 -0.57 113.55 116.07 3g49 h SER 640 Ca -0.01 0.20 -0.28 0.00 -0.84 0.00 0.00 61.79 60.86 3g49 h SER 640 Cb 0.62 0.16 0.02 0.00 0.14 0.00 0.00 62.40 63.34 3g49 h SER 640 CO 0.01 -0.19 -1.11 -0.03 -1.14 0.00 0.00 176.83 174.37 3g49 h MET 641 N 0.24 0.65 0.29 3.45 1.85 -0.58 -1.93 114.93 118.89 3g49 h MET 641 Ca 0.76 -0.75 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 3g49 h MET 641 Cb 1.88 0.23 -0.02 0.00 0.43 0.00 0.00 31.60 34.12 3g49 h MET 641 CO -0.61 1.33 -0.27 0.93 -0.40 0.00 0.00 176.91 177.89 3g49 h GLU 642 N 0.34 -0.57 0.06 0.39 4.39 -0.09 -1.16 114.58 117.94 3g49 h GLU 642 Ca -0.15 0.04 -0.25 0.00 0.34 0.00 0.00 59.36 59.34 3g49 h GLU 642 Cb 1.77 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 3g49 h GLU 642 CO 0.21 -0.38 -1.08 0.28 -1.16 0.00 0.00 179.01 176.88 3g49 h VAL 643 N -0.59 1.45 0.00 3.13 2.07 -1.19 -1.94 116.25 119.18 3g49 h VAL 643 Ca -0.01 -2.73 -0.24 0.00 0.82 0.00 0.00 66.70 64.54 3g49 h VAL 643 Cb 0.53 2.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 3g49 h VAL 643 CO -0.05 0.81 -1.44 0.78 0.02 0.00 0.00 177.57 177.69 3g49 h ASN 644 N 0.15 0.00 0.00 0.57 -0.26 -1.42 -3.41 115.58 111.21 3g49 h ASN 644 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 3g49 h ASN 644 Cb 1.76 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.02 3g49 h ASN 644 CO 0.18 0.88 0.00 0.33 -1.06 0.00 0.00 177.43 177.76 3g49 n PHE 645 N -3.08 0.00 -0.23 1.19 -0.00 -0.73 -4.65 117.46 109.97 3g49 n PHE 645 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.33 3g49 n PHE 645 Cb 0.97 0.00 0.11 0.00 -0.00 0.00 0.00 39.48 40.55 3g49 n PHE 645 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3g49 h HIS 646 N 0.00 0.61 -0.84 -5.13 3.86 -1.24 0.36 115.15 112.77 3g49 h HIS 646 Ca 0.00 0.03 0.18 0.00 -1.16 0.00 0.00 60.37 59.42 3g49 h HIS 646 Cb 0.00 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.24 3g49 h HIS 646 CO 0.00 0.25 0.56 0.66 0.86 0.00 0.00 177.93 180.26 3g49 h SER 647 N 0.60 0.37 -0.45 2.45 4.64 -1.58 -1.36 113.55 118.23 3g49 h SER 647 Ca 0.31 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.59 3g49 h SER 647 Cb 0.27 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3g49 h SER 647 CO -0.22 0.16 0.01 -0.26 -0.87 0.00 0.00 176.83 175.65 3g49 h PHE 648 N 0.38 0.86 -0.23 4.77 -1.00 -0.53 -0.01 116.94 121.17 3g49 h PHE 648 Ca 0.42 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 61.05 3g49 h PHE 648 Cb 1.08 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.40 3g49 h PHE 648 CO -0.00 0.83 0.10 0.28 -1.61 0.00 0.00 178.31 177.91 3g49 h VAL 649 N 0.63 1.16 -0.70 -0.55 2.07 -1.14 -1.48 116.25 116.24 3g49 h VAL 649 Ca 0.13 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.19 3g49 h VAL 649 Cb 0.49 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3g49 h VAL 649 CO 0.02 0.16 0.44 0.58 0.02 0.00 0.00 177.57 178.80 3g49 h VAL 650 N 0.23 1.11 -0.14 2.57 2.07 -1.24 0.40 116.25 121.24 3g49 h VAL 650 Ca 0.08 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 3g49 h VAL 650 Cb 0.16 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3g49 h VAL 650 CO -0.01 0.16 -0.37 -0.07 0.02 0.00 0.00 177.57 177.30 3g49 h LEU 651 N 0.88 0.32 -0.08 2.57 3.38 -0.80 -2.42 115.31 119.16 3g49 h LEU 651 Ca 0.28 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3g49 h LEU 651 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3g49 h LEU 651 CO -0.10 0.67 -0.27 0.28 0.09 0.00 0.00 178.44 179.11 3g49 h SER 652 N 0.26 0.37 -0.94 -0.43 0.02 -0.87 -2.62 113.55 109.33 3g49 h SER 652 Ca 0.03 -0.62 0.08 0.00 -0.84 0.00 0.00 61.79 60.43 3g49 h SER 652 Cb 0.78 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 3g49 h SER 652 CO 0.06 0.93 0.59 0.58 -1.14 0.00 0.00 176.83 177.86 3g49 h VAL 653 N -0.17 1.02 0.00 2.27 2.07 -0.86 -0.41 116.25 120.17 3g49 h VAL 653 Ca -0.01 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 3g49 h VAL 653 Cb 0.91 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3g49 h VAL 653 CO 0.06 0.19 -0.36 0.00 0.02 0.00 0.00 177.57 177.48 3g49 h ALA 654 N 1.46 1.16 -0.01 1.67 0.00 -1.40 -2.31 119.26 119.82 3g49 h ALA 654 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g49 h ALA 654 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g49 h ALA 654 CO -0.20 0.45 -0.43 0.00 0.00 0.00 0.00 179.25 179.07 3g49 n ALA 655 N -2.36 3.46 -0.16 0.00 0.00 -0.32 -4.59 120.51 116.54 3g49 n ALA 655 Ca -0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 3g49 n ALA 655 Cb 0.45 -0.97 0.01 0.00 0.00 0.00 0.00 19.45 18.94 3g49 n ALA 655 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3g49 h MET 656 N 1.45 0.65 0.37 0.00 4.05 -0.55 -1.32 114.93 119.59 3g49 h MET 656 Ca 0.00 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3g49 h MET 656 Cb 0.60 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 3g49 h MET 656 CO 0.00 0.52 -0.48 -1.35 0.23 0.00 0.00 176.91 175.83 3g49 h PRO 657 N 0.61 -0.85 -0.94 0.39 0.11 -1.81 0.50 132.00 130.00 3g49 h PRO 657 Ca 0.16 0.06 0.10 0.00 0.11 0.00 0.00 66.00 66.43 3g49 h PRO 657 Cb 0.06 0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.29 3g49 h PRO 657 CO -0.03 -0.57 0.60 0.52 -0.21 0.00 0.00 178.00 178.32 3g49 h MET 658 N -0.88 0.93 -0.15 1.05 2.86 -1.80 -2.18 114.93 114.76 3g49 h MET 658 Ca -0.04 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 3g49 h MET 658 Cb 0.80 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 3g49 h MET 658 CO -0.12 0.62 -0.63 -0.07 1.06 0.00 0.00 176.91 177.76 3g49 h LEU 659 N 0.96 0.61 -1.04 1.22 3.38 -0.87 -2.06 115.31 117.51 3g49 h LEU 659 Ca 0.44 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g49 h LEU 659 Cb 0.39 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3g49 h LEU 659 CO -0.20 1.09 0.53 0.24 0.09 0.00 0.00 178.44 180.19 3g49 h MET 660 N 0.39 1.19 -0.42 1.13 2.86 0.34 0.14 114.93 120.56 3g49 h MET 660 Ca -0.01 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3g49 h MET 660 Cb 1.19 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3g49 h MET 660 CO 0.12 0.83 0.28 0.37 1.06 0.00 0.00 176.91 179.57 3g49 h GLN 661 N 1.21 0.54 -0.44 1.72 5.75 -1.12 -3.03 115.11 119.75 3g49 h GLN 661 Ca 0.32 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.78 3g49 h GLN 661 Cb -0.05 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.37 3g49 h GLN 661 CO -0.06 0.36 0.00 -1.13 -2.65 0.00 0.00 178.83 175.35 3g49 n SER 662 N -4.80 2.58 -3.93 -0.69 3.41 -0.80 -4.94 113.62 104.45 3g49 n SER 662 Ca 0.01 -1.96 -0.30 0.00 -0.26 0.00 0.00 58.87 56.36 3g49 n SER 662 Cb 0.03 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 3g49 n SER 662 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g49 n GLN 663 N 0.91 -0.62 0.00 4.33 6.02 -0.68 -4.93 117.38 122.42 3g49 n GLN 663 Ca 0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 3g49 n GLN 663 Cb 0.42 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3g49 n GLN 663 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g49 n GLY 664 N -1.92 1.05 3.23 1.08 0.00 0.39 -4.74 105.19 104.27 3g49 n GLY 664 Ca -0.14 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 3g49 n GLY 664 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g49 s SER 665 N -1.00 -0.16 -0.07 1.61 0.01 -0.80 -1.62 113.70 111.67 3g49 s SER 665 Ca 0.00 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 3g49 s SER 665 Cb 0.00 0.31 0.03 0.00 0.21 0.00 0.00 66.02 66.57 3g49 s SER 665 CO 0.00 -0.47 -0.01 -0.63 0.41 0.00 0.00 173.24 172.54 3g49 s ILE 666 N -1.51 0.46 -0.19 1.44 1.01 0.12 -1.29 121.20 121.25 3g49 s ILE 666 Ca -0.12 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 3g49 s ILE 666 Cb -0.05 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 3g49 s ILE 666 CO 0.03 0.27 0.75 0.00 0.00 0.00 0.00 174.94 175.99 3g49 s ALA 667 N 1.79 3.54 -0.34 9.38 0.00 -0.86 0.10 121.76 135.36 3g49 s ALA 667 Ca 0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.80 3g49 s ALA 667 Cb -0.13 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.88 3g49 s ALA 667 CO -0.05 -0.63 0.16 0.08 0.00 0.00 0.00 175.76 175.32 3g49 s VAL 668 N 2.11 4.38 -0.30 0.00 1.01 0.15 -2.17 120.40 125.58 3g49 s VAL 668 Ca 0.34 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 3g49 s VAL 668 Cb -0.16 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3g49 s VAL 668 CO 0.11 -0.11 0.50 -0.69 0.00 0.00 0.00 175.10 174.91 3g49 s VAL 669 N 1.54 5.06 0.00 2.92 1.01 -0.64 -1.39 120.40 128.90 3g49 s VAL 669 Ca 0.02 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.62 3g49 s VAL 669 Cb -0.18 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3g49 s VAL 669 CO 0.05 -0.03 0.00 -0.24 0.00 0.00 0.00 175.10 174.88 3g49 n SER 670 N 5.60 1.26 -3.59 3.32 2.88 0.42 -4.88 113.62 118.63 3g49 n SER 670 Ca -0.05 -0.21 -0.21 0.00 -1.33 0.00 0.00 58.87 57.07 3g49 n SER 670 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 3g49 n SER 670 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3g49 s SER 671 N 0.57 1.97 0.22 -3.46 0.01 -1.26 -2.87 113.70 108.89 3g49 s SER 671 Ca 0.00 -1.73 -0.09 0.00 1.31 0.00 0.00 55.95 55.44 3g49 s SER 671 Cb 0.00 0.55 0.35 0.00 0.21 0.00 0.00 66.02 67.13 3g49 s SER 671 CO 0.00 -1.03 1.67 0.58 0.41 0.00 0.00 173.24 174.88 3g49 h VAL 672 N 2.04 0.51 0.00 3.43 2.07 -1.48 -0.16 116.25 122.67 3g49 h VAL 672 Ca -0.28 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3g49 h VAL 672 Cb 1.24 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3g49 h VAL 672 CO 0.42 0.03 0.00 0.00 0.02 0.00 0.00 177.57 178.05 3g49 n ALA 673 N -2.73 2.40 1.13 1.67 0.00 -1.26 0.95 120.51 122.66 3g49 n ALA 673 Ca 0.11 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3g49 n ALA 673 Cb 0.39 -1.38 0.36 0.00 0.00 0.00 0.00 19.45 18.82 3g49 n ALA 673 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g49 n GLY 674 N 0.51 0.49 0.00 0.00 0.00 -0.08 -4.50 105.19 101.61 3g49 n GLY 674 Ca 0.18 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3g49 n GLY 674 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g49 n LYS 675 N 0.53 2.09 -4.19 1.61 4.76 0.27 -4.31 118.16 118.91 3g49 n LYS 675 Ca 0.17 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.49 3g49 n LYS 675 Cb 0.39 -0.87 -0.10 0.00 -1.84 0.00 0.00 35.03 32.61 3g49 n LYS 675 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3g49 s ILE 676 N -1.59 0.00 -0.04 -0.18 -4.36 -0.49 -5.07 121.20 109.47 3g49 s ILE 676 Ca 0.00 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 58.38 3g49 s ILE 676 Cb 0.00 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.19 3g49 s ILE 676 CO 0.00 -0.01 0.10 0.42 0.24 0.00 0.00 174.94 175.68 3g49 s THR 677 N -4.15 4.93 -0.00 8.37 -4.23 -1.26 -4.26 115.64 115.03 3g49 s THR 677 Ca 0.38 -0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 3g49 s THR 677 Cb 0.07 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 3g49 s THR 677 CO 0.12 0.44 -0.23 -0.31 -0.54 0.00 0.00 174.62 174.09 3g49 s TYR 678 N -1.13 2.08 0.30 3.99 1.51 -1.26 -5.06 117.35 117.78 3g49 s TYR 678 Ca 0.20 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 3g49 s TYR 678 Cb -0.12 -1.31 -0.13 0.00 -0.11 0.00 0.00 41.96 40.29 3g49 s TYR 678 CO 0.11 0.00 1.35 -2.30 -1.11 0.00 0.00 175.55 173.61 3g49 n PRO 679 N 2.31 2.14 0.00 -1.71 -0.02 -1.26 -3.49 135.00 132.97 3g49 n PRO 679 Ca -0.16 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3g49 n PRO 679 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3g49 n PRO 679 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g49 n LEU 680 N 1.37 0.00 -2.16 2.45 4.77 -1.26 -4.95 117.00 117.22 3g49 n LEU 680 Ca 0.07 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.88 3g49 n LEU 680 Cb 0.34 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3g49 n LEU 680 CO 0.63 0.00 0.14 2.30 -1.33 0.00 0.00 177.39 179.13 3g49 n ILE 681 N -1.56 2.20 0.04 -0.08 -5.35 -1.23 -2.41 119.36 110.97 3g49 n ILE 681 Ca 0.00 -3.86 -0.12 0.00 -0.27 0.00 0.00 62.75 58.50 3g49 n ILE 681 Cb 0.00 -0.52 -0.08 0.00 -1.74 0.00 0.00 39.64 37.30 3g49 n ILE 681 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3g49 h ALA 682 N 2.23 -0.04 0.01 -1.28 0.00 -1.89 0.31 119.26 118.60 3g49 h ALA 682 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3g49 h ALA 682 Cb 1.46 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3g49 h ALA 682 CO 0.59 -0.46 -0.12 -1.35 0.00 0.00 0.00 179.25 177.92 3g49 h PRO 683 N -0.16 -0.20 -0.27 0.00 0.11 -1.93 -0.55 132.00 129.00 3g49 h PRO 683 Ca -0.00 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.18 3g49 h PRO 683 Cb 0.15 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.23 3g49 h PRO 683 CO 0.01 -0.13 -0.40 -0.92 -0.21 0.00 0.00 178.00 176.34 3g49 h TYR 684 N -0.21 -1.16 -0.61 0.65 5.03 -1.83 -2.79 116.97 116.05 3g49 h TYR 684 Ca 0.04 0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.41 3g49 h TYR 684 Cb 0.26 0.55 -0.03 0.00 1.55 0.00 0.00 36.73 39.05 3g49 h TYR 684 CO -0.18 -0.44 0.41 1.03 -1.32 0.00 0.00 178.16 177.66 3g49 h SER 685 N -0.39 0.70 -0.42 -2.11 0.87 -0.02 -2.13 113.55 110.05 3g49 h SER 685 Ca 0.11 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 3g49 h SER 685 Cb 0.59 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3g49 h SER 685 CO -0.48 0.51 -0.03 0.00 -0.53 0.00 0.00 176.83 176.30 3g49 h ALA 686 N 1.62 0.56 -0.45 6.23 0.00 -0.90 -1.31 119.26 125.02 3g49 h ALA 686 Ca 0.23 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3g49 h ALA 686 Cb -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3g49 h ALA 686 CO -0.05 0.37 0.18 0.66 0.00 0.00 0.00 179.25 180.42 3g49 h SER 687 N 0.58 0.22 -0.05 0.00 4.64 -1.19 0.81 113.55 118.56 3g49 h SER 687 Ca 0.11 0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.33 3g49 h SER 687 Cb 0.52 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3g49 h SER 687 CO 0.03 0.16 -0.48 0.11 -0.87 0.00 0.00 176.83 175.78 3g49 h LYS 688 N 0.37 0.61 0.56 4.77 1.79 -1.31 -2.03 116.57 121.33 3g49 h LYS 688 Ca 0.21 -0.35 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 3g49 h LYS 688 Cb 0.17 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3g49 h LYS 688 CO -0.19 0.96 -0.39 0.74 -1.08 0.00 0.00 179.45 179.49 3g49 h PHE 689 N 0.48 -1.04 -0.99 -1.35 -1.00 -1.05 -2.29 116.94 109.70 3g49 h PHE 689 Ca 0.02 -0.01 0.29 0.00 2.81 0.00 0.00 57.97 61.09 3g49 h PHE 689 Cb 1.02 0.38 -0.18 0.00 3.61 0.00 0.00 35.95 40.77 3g49 h PHE 689 CO 0.04 -0.57 0.09 0.00 -1.61 0.00 0.00 178.31 176.26 3g49 h ALA 690 N -0.59 1.30 -0.15 2.45 0.00 -0.81 -0.30 119.26 121.15 3g49 h ALA 690 Ca -0.06 0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3g49 h ALA 690 Cb 0.76 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3g49 h ALA 690 CO 0.04 -0.62 -0.18 -0.07 0.00 0.00 0.00 179.25 178.41 3g49 h LEU 691 N 0.01 -0.57 -0.01 0.00 3.38 -0.81 -0.97 115.31 116.34 3g49 h LEU 691 Ca 0.63 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.74 3g49 h LEU 691 Cb 1.37 0.27 -0.05 0.00 0.09 0.00 0.00 40.66 42.34 3g49 h LEU 691 CO -0.91 -0.23 -0.28 -0.78 0.09 0.00 0.00 178.44 176.33 3g49 h ASP 692 N -0.22 -0.82 -0.73 -0.43 1.82 -0.69 -1.30 116.42 114.05 3g49 h ASP 692 Ca 0.10 0.11 0.13 0.00 -0.39 0.00 0.00 57.03 56.99 3g49 h ASP 692 Cb 0.37 0.34 -0.09 0.00 0.68 0.00 0.00 39.33 40.63 3g49 h ASP 692 CO -0.28 -0.34 0.28 1.23 -1.61 0.00 0.00 179.24 178.52 3g49 h GLY 693 N -0.42 1.09 0.41 -0.78 0.00 -1.24 -1.22 103.07 100.91 3g49 h GLY 693 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3g49 h GLY 693 CO -0.24 -0.09 -0.17 -2.75 0.00 0.00 0.00 176.54 173.29 3g49 h PHE 694 N 0.43 -0.44 -0.05 5.60 3.57 -0.50 -3.24 116.94 122.31 3g49 h PHE 694 Ca 0.40 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.76 3g49 h PHE 694 Cb 0.58 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3g49 h PHE 694 CO -0.17 -0.19 -0.55 0.74 -2.23 0.00 0.00 178.31 175.91 3g49 h PHE 695 N -1.07 0.19 -0.18 0.41 0.04 -1.26 -1.83 116.94 113.24 3g49 h PHE 695 Ca -0.05 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.52 3g49 h PHE 695 Cb 0.45 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 3g49 h PHE 695 CO 0.02 0.67 -0.45 0.77 -0.60 0.00 0.00 178.31 178.72 3g49 h SER 696 N 0.12 0.49 0.02 2.17 0.02 -1.36 0.31 113.55 115.32 3g49 h SER 696 Ca -0.00 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3g49 h SER 696 Cb 1.01 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3g49 h SER 696 CO 0.08 0.88 -0.01 0.74 -1.14 0.00 0.00 176.83 177.38 3g49 h THR 697 N 0.37 1.40 -0.68 -2.27 2.02 -1.54 -2.16 112.91 110.05 3g49 h THR 697 Ca 0.02 -1.31 0.10 0.00 0.77 0.00 0.00 66.41 65.99 3g49 h THR 697 Cb 0.94 2.28 -0.07 0.00 -1.74 0.00 0.00 68.15 69.56 3g49 h THR 697 CO 0.08 0.34 0.31 0.25 0.37 0.00 0.00 175.52 176.87 3g49 h LEU 698 N -0.60 0.38 -0.99 2.58 5.85 -0.85 -0.87 115.31 120.81 3g49 h LEU 698 Ca -0.00 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3g49 h LEU 698 Cb 0.57 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3g49 h LEU 698 CO 0.00 0.21 0.34 -0.09 -0.34 0.00 0.00 178.44 178.57 3g49 h ARG 699 N 0.53 1.06 -0.87 1.25 2.43 -0.30 -0.33 114.38 118.14 3g49 h ARG 699 Ca 0.34 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3g49 h ARG 699 Cb 0.39 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3g49 h ARG 699 CO -0.29 0.83 0.45 0.77 -1.51 0.00 0.00 179.97 180.22 3g49 h SER 700 N 1.05 1.12 0.80 -3.80 0.02 -0.60 -0.90 113.55 111.23 3g49 h SER 700 Ca 0.25 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3g49 h SER 700 Cb 0.13 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.39 3g49 h SER 700 CO -0.03 0.92 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.86 3g49 h GLU 701 N 1.23 -1.04 -0.76 3.45 5.08 -0.45 -2.09 114.58 120.00 3g49 h GLU 701 Ca 0.30 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.84 3g49 h GLU 701 Cb 0.07 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 3g49 h GLU 701 CO -0.04 -0.68 0.39 0.74 -1.00 0.00 0.00 179.01 178.41 3g49 h PHE 702 N -1.20 0.69 -0.35 4.33 -1.00 -1.01 -0.46 116.94 117.94 3g49 h PHE 702 Ca -0.11 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.77 3g49 h PHE 702 Cb 0.84 -0.19 -0.07 0.00 3.61 0.00 0.00 35.95 40.13 3g49 h PHE 702 CO -0.00 0.23 -0.13 -0.07 -1.61 0.00 0.00 178.31 176.72 3g49 h LEU 703 N 0.63 -0.45 -0.70 1.54 3.38 -0.94 -0.65 115.31 118.12 3g49 h LEU 703 Ca 0.39 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.35 3g49 h LEU 703 Cb 0.45 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3g49 h LEU 703 CO -0.30 -0.16 -0.41 1.62 0.09 0.00 0.00 178.44 179.28 3g49 h VAL 704 N -0.06 1.30 -0.00 1.22 3.04 -0.43 -2.47 116.25 118.85 3g49 h VAL 704 Ca 0.17 -1.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.29 3g49 h VAL 704 Cb 0.32 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 3g49 h VAL 704 CO -0.39 0.49 -0.02 0.59 -1.01 0.00 0.00 177.57 177.23 3g49 n ASN 705 N -4.02 0.06 -3.44 3.17 4.13 -0.46 -4.94 115.26 109.77 3g49 n ASN 705 Ca -0.02 -0.20 -0.25 0.00 1.68 0.00 0.00 54.58 55.80 3g49 n ASN 705 Cb 0.52 -0.25 0.05 0.00 -1.54 0.00 0.00 39.78 38.55 3g49 n ASN 705 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3g49 n LYS 706 N -1.25 -6.07 -2.58 3.52 4.76 -0.29 -4.99 118.16 111.25 3g49 n LYS 706 Ca 0.14 0.78 -0.43 0.00 -2.87 0.00 0.00 58.31 55.94 3g49 n LYS 706 Cb 0.25 -5.72 -0.02 0.00 -1.84 0.00 0.00 35.03 27.70 3g49 n LYS 706 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3g49 s VAL 707 N -3.23 4.50 -0.88 -0.18 1.01 -0.95 -5.00 120.40 115.67 3g49 s VAL 707 Ca 0.49 1.78 -0.02 0.00 0.00 0.00 0.00 61.98 64.22 3g49 s VAL 707 Cb -0.23 -4.27 0.27 0.00 0.00 0.00 0.00 36.38 32.16 3g49 s VAL 707 CO 0.60 -0.29 2.13 -3.20 0.00 0.00 0.00 175.10 174.35 3g49 n ASN 708 N 6.67 7.37 -4.23 3.32 5.15 -1.26 -4.55 115.26 127.72 3g49 n ASN 708 Ca 0.13 -3.62 -0.34 0.00 -0.60 0.00 0.00 54.58 50.14 3g49 n ASN 708 Cb 0.46 -1.15 -0.15 0.00 -0.53 0.00 0.00 39.78 38.41 3g49 n ASN 708 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g49 s VAL 709 N -4.01 2.91 0.19 3.44 1.01 -1.26 -3.59 120.40 119.09 3g49 s VAL 709 Ca 0.50 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3g49 s VAL 709 Cb 0.33 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 3g49 s VAL 709 CO -0.27 0.40 0.66 -0.94 0.00 0.00 0.00 175.10 174.95 3g49 s SER 710 N 1.39 6.98 -0.05 3.32 1.04 -0.64 -4.96 113.70 120.79 3g49 s SER 710 Ca 0.04 1.30 0.03 0.00 0.48 0.00 0.00 55.95 57.80 3g49 s SER 710 Cb -0.14 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.61 3g49 s SER 710 CO -0.06 0.06 -0.13 -0.63 0.98 0.00 0.00 173.24 173.46 3g49 s ILE 711 N -1.49 1.12 -0.20 -1.02 1.01 -1.26 0.14 121.20 119.51 3g49 s ILE 711 Ca 0.41 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3g49 s ILE 711 Cb -0.16 -0.99 0.06 0.00 0.01 0.00 0.00 42.46 41.37 3g49 s ILE 711 CO 0.20 0.34 0.02 -0.89 0.00 0.00 0.00 174.94 174.61 3g49 s THR 712 N 0.32 0.67 -0.22 2.92 2.01 0.11 -4.51 115.64 116.95 3g49 s THR 712 Ca -0.08 -0.63 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 3g49 s THR 712 Cb -0.12 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 3g49 s THR 712 CO 0.02 -0.17 0.85 -0.76 -0.69 0.00 0.00 174.62 173.87 3g49 s LEU 713 N 1.79 4.11 -0.27 4.42 1.43 -0.53 -0.68 118.68 128.96 3g49 s LEU 713 Ca -0.01 1.11 -0.16 0.00 -1.03 0.00 0.00 54.13 54.03 3g49 s LEU 713 Cb -0.17 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 3g49 s LEU 713 CO -0.08 -0.49 0.43 0.00 0.23 0.00 0.00 176.35 176.45 3g49 s ILE 715 N 2.18 3.62 -0.15 0.00 -1.09 -0.55 -0.44 121.20 124.77 3g49 s ILE 715 Ca 0.18 -1.61 -0.09 0.00 -2.23 0.00 0.00 60.65 56.90 3g49 s ILE 715 Cb -0.16 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 3g49 s ILE 715 CO 0.10 -0.47 0.15 -0.76 -1.23 0.00 0.00 174.94 172.73 3g49 s LEU 716 N 1.29 4.31 0.00 2.97 1.43 -1.14 -1.86 118.68 125.69 3g49 s LEU 716 Ca 0.03 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3g49 s LEU 716 Cb -0.22 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3g49 s LEU 716 CO -0.01 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.48 3g49 n GLY 717 N 2.68 -1.00 3.64 -3.19 0.00 -0.71 -1.28 105.19 105.32 3g49 n GLY 717 Ca -0.18 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 43.79 3g49 n GLY 717 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g49 n LEU 718 N 0.00 3.66 -4.69 0.99 0.00 -1.26 -4.91 117.00 110.79 3g49 n LEU 718 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 56.01 56.44 3g49 n LEU 718 Cb 0.00 -1.48 -0.08 0.00 0.00 0.00 0.00 43.42 41.86 3g49 n LEU 718 CO 0.00 -0.13 -0.33 -0.63 0.00 0.00 0.00 177.39 176.31 3g49 s ILE 719 N 5.47 3.98 -0.36 1.96 -1.09 -1.26 -1.60 121.20 128.30 3g49 s ILE 719 Ca 0.94 -1.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.23 3g49 s ILE 719 Cb -0.50 -2.92 0.03 0.00 -1.58 0.00 0.00 42.46 37.49 3g49 s ILE 719 CO 0.43 0.06 2.78 -0.90 -1.23 0.00 0.00 174.94 176.08 3g49 n ASP 720 N 0.36 6.27 -4.90 3.58 5.75 -0.59 -4.72 116.55 122.30 3g49 n ASP 720 Ca -0.10 -3.06 -0.28 0.00 -0.01 0.00 0.00 54.79 51.33 3g49 n ASP 720 Cb 0.53 -1.23 0.04 0.00 -1.03 0.00 0.00 41.12 39.43 3g49 n ASP 720 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3g49 s THR 721 N -1.73 3.50 -0.04 2.12 -4.23 -1.26 -4.78 115.64 109.23 3g49 s THR 721 Ca 0.55 0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 61.10 3g49 s THR 721 Cb 0.35 -3.44 -0.12 0.00 1.34 0.00 0.00 72.50 70.63 3g49 s THR 721 CO -0.15 -0.52 0.75 -0.33 -0.54 0.00 0.00 174.62 173.83 3g49 h GLU 722 N -0.43 -0.40 -0.19 3.99 5.08 -1.99 -2.82 114.58 117.82 3g49 h GLU 722 Ca -0.45 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.95 3g49 h GLU 722 Cb 1.26 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 3g49 h GLU 722 CO 0.62 -0.13 -0.11 2.41 -1.00 0.00 0.00 179.01 180.81 3g49 n THR 723 N -5.06 -0.13 0.28 1.13 -1.04 -1.26 -0.62 114.28 107.58 3g49 n THR 723 Ca -0.07 0.65 0.14 0.00 -2.04 0.00 0.00 64.05 62.73 3g49 n THR 723 Cb 0.24 -0.82 0.83 0.00 -1.82 0.00 0.00 70.33 68.76 3g49 n THR 723 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g49 h ALA 724 N -0.04 1.45 0.00 2.41 0.00 -1.83 0.71 119.26 121.96 3g49 h ALA 724 Ca 0.03 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 3g49 h ALA 724 Cb 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3g49 h ALA 724 CO -0.18 0.06 -2.29 1.51 0.00 0.00 0.00 179.25 178.35 3g49 n ILE 725 N -3.80 1.30 0.14 0.00 0.13 -0.76 -3.61 119.36 112.77 3g49 n ILE 725 Ca -0.03 -0.55 -0.13 0.00 -1.10 0.00 0.00 62.75 60.94 3g49 n ILE 725 Cb 0.14 -1.18 -0.06 0.00 -0.84 0.00 0.00 39.64 37.70 3g49 n ILE 725 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 3g49 h LYS 726 N 0.00 -0.52 -0.74 9.51 3.64 -0.77 -2.68 116.57 125.01 3g49 h LYS 726 Ca -0.51 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.01 3g49 h LYS 726 Cb 1.85 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.74 3g49 h LYS 726 CO -0.06 -0.35 0.48 0.00 -2.27 0.00 0.00 179.45 177.26 3g49 h ALA 727 N 0.12 1.86 -0.00 5.00 0.00 -1.03 -2.66 119.26 122.55 3g49 h ALA 727 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g49 h ALA 727 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3g49 h ALA 727 CO -0.14 -0.02 -0.37 0.25 0.00 0.00 0.00 179.25 178.97 3g49 n THR 728 N -4.49 0.00 -1.63 0.00 -2.24 -1.24 -4.78 114.28 99.90 3g49 n THR 728 Ca 0.12 -0.03 -0.50 0.00 -2.27 0.00 0.00 64.05 61.37 3g49 n THR 728 Cb 0.35 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 3g49 n THR 728 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3g49 n SER 729 N -1.28 2.23 0.00 3.42 2.88 -1.00 -1.40 113.62 118.47 3g49 n SER 729 Ca 0.08 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 3g49 n SER 729 Cb 0.33 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3g49 n SER 729 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g49 n GLY 730 N 2.99 2.93 0.49 0.46 0.00 -1.26 -4.84 105.19 105.96 3g49 n GLY 730 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3g49 n GLY 730 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g49 n ILE 731 N -2.00 1.18 -4.41 -0.61 -0.00 -0.49 -5.02 119.36 108.01 3g49 n ILE 731 Ca 0.00 0.26 -0.34 0.00 -0.00 0.00 0.00 62.75 62.67 3g49 n ILE 731 Cb 0.00 -1.91 -0.12 0.00 -0.00 0.00 0.00 39.64 37.61 3g49 n ILE 731 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 3g49 s TYR 732 N -2.29 3.03 -0.77 1.39 6.04 -1.08 -5.06 117.35 118.62 3g49 s TYR 732 Ca -0.14 -0.23 0.07 0.00 0.04 0.00 0.00 57.07 56.81 3g49 s TYR 732 Cb 0.02 -1.93 0.09 0.00 -1.04 0.00 0.00 41.96 39.10 3g49 s TYR 732 CO 0.21 0.03 0.83 1.28 -1.54 0.00 0.00 175.55 176.36 3g49 n LEU 733 N 3.33 1.82 -4.94 6.97 4.77 -1.26 -4.77 117.00 122.92 3g49 n LEU 733 Ca -0.17 -1.26 -0.24 0.00 -0.03 0.00 0.00 56.01 54.30 3g49 n LEU 733 Cb 0.53 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 3g49 n LEU 733 CO 0.32 0.40 0.49 -0.83 -1.33 0.00 0.00 177.39 176.45 3g49 s GLY 734 N -0.67 1.72 0.34 -0.72 0.00 -1.26 -4.99 107.32 101.73 3g49 s GLY 734 Ca 0.09 -1.04 -0.27 0.00 0.00 0.00 0.00 44.72 43.50 3g49 s GLY 734 CO 0.09 -0.71 1.17 -1.55 0.00 0.00 0.00 173.10 172.09 3g49 n PRO 735 N -2.61 1.78 -4.76 2.90 -0.04 -1.26 -5.00 135.00 126.00 3g49 n PRO 735 Ca 0.07 0.63 -0.33 0.00 -0.04 0.00 0.00 63.50 63.82 3g49 n PRO 735 Cb 0.60 -2.14 -0.13 0.00 -0.04 0.00 0.00 33.50 31.79 3g49 n PRO 735 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g49 s ALA 736 N -1.11 2.79 0.19 0.55 0.00 -1.26 -4.66 121.76 118.25 3g49 s ALA 736 Ca 0.58 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 3g49 s ALA 736 Cb -0.61 -1.12 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 3g49 s ALA 736 CO 0.61 0.51 0.44 -1.12 0.00 0.00 0.00 175.76 176.20 3g49 s SER 737 N -0.58 6.50 0.26 0.00 0.01 -0.62 -4.78 113.70 114.49 3g49 s SER 737 Ca 0.08 0.66 -0.29 0.00 1.31 0.00 0.00 55.95 57.71 3g49 s SER 737 Cb -0.12 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 63.90 3g49 s SER 737 CO 0.02 -0.02 1.17 -2.16 0.41 0.00 0.00 173.24 172.65 3g49 s PRO 738 N -2.89 4.54 0.55 12.44 0.04 -1.26 -1.54 135.00 146.89 3g49 s PRO 738 Ca 0.43 1.90 0.34 0.00 0.04 0.00 0.00 61.00 63.71 3g49 s PRO 738 Cb -0.12 -3.18 1.44 0.00 0.04 0.00 0.00 34.50 32.68 3g49 s PRO 738 CO 0.25 0.04 2.02 1.57 0.04 0.00 0.00 177.00 180.92 3g49 h LYS 739 N 4.20 0.00 -0.09 4.56 2.10 -1.94 -2.90 116.57 122.50 3g49 h LYS 739 Ca -0.46 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.06 3g49 h LYS 739 Cb 1.21 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.55 3g49 h LYS 739 CO 0.69 0.02 -0.42 1.05 -2.00 0.00 0.00 179.45 178.80 3g49 h GLU 740 N 0.00 0.44 0.49 0.07 9.09 -1.96 -3.24 114.58 119.47 3g49 h GLU 740 Ca -0.00 -0.35 -0.02 0.00 0.05 0.00 0.00 59.36 59.03 3g49 h GLU 740 Cb 0.47 0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3g49 h GLU 740 CO 0.00 0.99 -0.23 1.49 0.05 0.00 0.00 179.01 181.31 3g49 h GLU 741 N 0.00 -0.63 0.00 1.06 4.81 -1.94 -2.85 114.58 115.03 3g49 h GLU 741 Ca -0.03 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3g49 h GLU 741 Cb 1.06 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3g49 h GLU 741 CO 0.09 -0.42 0.00 0.00 -0.73 0.00 0.00 179.01 177.95 3g49 h ALA 743 N 0.00 0.71 0.70 0.00 0.00 -1.57 -0.53 119.26 118.58 3g49 h ALA 743 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3g49 h ALA 743 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3g49 h ALA 743 CO 0.00 0.67 -0.34 1.25 0.00 0.00 0.00 179.25 180.83 3g49 h LEU 744 N 0.80 -0.80 -1.36 0.00 7.12 -0.68 -2.58 115.31 117.83 3g49 h LEU 744 Ca 0.10 0.03 0.34 0.00 0.13 0.00 0.00 57.88 58.48 3g49 h LEU 744 Cb 0.81 0.21 -0.11 0.00 -0.53 0.00 0.00 40.66 41.04 3g49 h LEU 744 CO 0.07 -0.56 0.74 -0.33 -0.13 0.00 0.00 178.44 178.23 3g49 h GLU 745 N -0.96 0.24 0.77 1.25 4.39 -1.32 -0.47 114.58 118.48 3g49 h GLU 745 Ca -0.10 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3g49 h GLU 745 Cb 0.72 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3g49 h GLU 745 CO 0.16 0.16 -0.37 0.82 -1.16 0.00 0.00 179.01 178.62 3g49 h ILE 746 N 0.25 0.25 -0.45 3.13 2.04 -0.87 -2.06 117.51 119.80 3g49 h ILE 746 Ca 0.70 -0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.65 3g49 h ILE 746 Cb 1.98 0.25 -0.10 0.00 -0.74 0.00 0.00 36.82 38.22 3g49 h ILE 746 CO -0.37 0.00 -0.31 0.40 0.00 0.00 0.00 178.15 177.87 3g49 h ILE 747 N -1.03 0.24 -0.95 -0.67 2.04 -0.88 -2.30 117.51 113.96 3g49 h ILE 747 Ca -0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3g49 h ILE 747 Cb 0.79 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 3g49 h ILE 747 CO 0.17 0.00 0.63 0.11 0.00 0.00 0.00 178.15 179.06 3g49 h LYS 748 N -0.21 1.20 -0.49 2.37 1.57 -1.01 0.69 116.57 120.69 3g49 h LYS 748 Ca 0.19 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3g49 h LYS 748 Cb 0.53 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3g49 h LYS 748 CO -0.57 0.80 0.25 0.78 -0.57 0.00 0.00 179.45 180.14 3g49 h GLY 749 N 1.24 0.74 1.66 3.86 0.00 -1.19 0.17 103.07 109.54 3g49 h GLY 749 Ca 0.36 -0.35 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 3g49 h GLY 749 CO -0.10 0.34 -0.69 -0.84 0.00 0.00 0.00 176.54 175.25 3g49 h THR 750 N 0.65 1.39 -0.48 4.70 2.02 -0.71 -1.47 112.91 119.01 3g49 h THR 750 Ca 0.17 -2.12 -0.08 0.00 0.77 0.00 0.00 66.41 65.15 3g49 h THR 750 Cb 0.08 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3g49 h THR 750 CO -0.02 0.63 -0.01 0.00 0.37 0.00 0.00 175.52 176.49 3g49 h ALA 751 N 1.03 0.65 0.00 6.16 0.00 0.55 -2.77 119.26 124.88 3g49 h ALA 751 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3g49 h ALA 751 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3g49 h ALA 751 CO 0.11 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.11 3g49 n LEU 752 N -4.33 0.00 -3.12 0.00 4.77 0.56 -4.91 117.00 109.98 3g49 n LEU 752 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.81 3g49 n LEU 752 Cb 0.32 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3g49 n LEU 752 CO 0.42 0.00 0.16 0.54 -1.33 0.00 0.00 177.39 177.19 3g49 n ARG 753 N -0.85 -6.35 -3.18 3.23 1.74 -0.62 -4.99 116.66 105.63 3g49 n ARG 753 Ca 0.17 0.72 -0.33 0.00 -0.77 0.00 0.00 57.85 57.63 3g49 n ARG 753 Cb 0.08 -5.39 -0.06 0.00 -1.02 0.00 0.00 32.46 26.07 3g49 n ARG 753 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g49 s GLN 754 N -5.73 4.03 0.18 5.56 -0.21 -0.92 -4.93 119.66 117.63 3g49 s GLN 754 Ca 0.30 0.65 -0.10 0.00 0.02 0.00 0.00 55.36 56.23 3g49 s GLN 754 Cb -0.13 -2.61 0.07 0.00 1.00 0.00 0.00 33.01 31.34 3g49 s GLN 754 CO 0.62 0.26 1.67 -0.44 -2.12 0.00 0.00 175.29 175.29 3g49 h ASP 755 N 2.68 0.98 -4.76 5.90 3.32 -1.92 -3.37 116.42 119.25 3g49 h ASP 755 Ca -0.48 -0.26 -0.23 0.00 0.02 0.00 0.00 57.03 56.08 3g49 h ASP 755 Cb 1.18 -0.26 -0.18 0.00 0.22 0.00 0.00 39.33 40.29 3g49 h ASP 755 CO 0.66 0.99 -0.71 -1.61 -1.72 0.00 0.00 179.24 176.85 3g49 s GLU 756 N -5.21 0.65 -0.26 3.56 2.02 -1.26 -1.45 118.70 116.75 3g49 s GLU 756 Ca -0.12 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.81 3g49 s GLU 756 Cb 0.13 -0.17 0.14 0.00 0.10 0.00 0.00 34.13 34.33 3g49 s GLU 756 CO 0.84 -0.00 0.35 1.41 0.02 0.00 0.00 175.26 177.88 3g49 s MET 757 N -2.79 0.35 -0.21 1.61 -2.45 -0.66 -4.87 119.30 110.27 3g49 s MET 757 Ca 0.01 0.23 -0.11 0.00 -1.25 0.00 0.00 55.69 54.57 3g49 s MET 757 Cb -0.01 -0.54 -0.05 0.00 1.25 0.00 0.00 34.83 35.48 3g49 s MET 757 CO -0.03 -0.85 0.18 0.71 1.05 0.00 0.00 175.02 176.09 3g49 s TYR 758 N 2.48 3.37 -0.32 4.11 2.02 -1.26 -1.49 117.35 126.26 3g49 s TYR 758 Ca 0.10 0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 57.13 3g49 s TYR 758 Cb -0.14 -2.26 0.12 0.00 -0.40 0.00 0.00 41.96 39.28 3g49 s TYR 758 CO -0.24 0.16 0.16 -0.47 -1.57 0.00 0.00 175.55 173.60 3g49 s TYR 759 N 0.75 0.75 -0.00 2.71 5.04 -0.78 -4.98 117.35 120.84 3g49 s TYR 759 Ca 0.10 -1.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.38 3g49 s TYR 759 Cb -0.13 -1.08 0.00 0.00 0.35 0.00 0.00 41.96 41.11 3g49 s TYR 759 CO 0.02 -0.83 0.77 1.33 -1.34 0.00 0.00 175.55 175.50 3g49 n VAL 760 N 4.67 0.00 -0.32 3.14 0.24 -1.26 -1.74 118.33 123.06 3g49 n VAL 760 Ca 0.02 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3g49 n VAL 760 Cb 0.40 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 3g49 n VAL 760 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g49 n GLY 761 N -0.00 0.84 3.64 7.63 0.00 -1.26 -4.66 105.19 111.38 3g49 n GLY 761 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3g49 n GLY 761 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g49 s SER 762 N -2.00 -0.65 0.58 1.61 0.15 -1.26 -5.01 113.70 107.12 3g49 s SER 762 Ca 0.00 1.15 0.28 0.00 0.70 0.00 0.00 55.95 58.08 3g49 s SER 762 Cb 0.00 1.22 1.69 0.00 -1.71 0.00 0.00 66.02 67.22 3g49 s SER 762 CO 0.00 -0.19 2.18 0.08 1.20 0.00 0.00 173.24 176.51 3g49 h ARG 763 N 5.48 0.00 0.00 5.44 0.11 -2.02 -3.39 114.38 120.00 3g49 h ARG 763 Ca -0.29 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.59 3g49 h ARG 763 Cb 1.19 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 3g49 h ARG 763 CO 0.13 0.00 -1.67 0.91 0.10 0.00 0.00 179.97 179.44 3g49 n TRP 764 N -3.92 0.00 -0.62 4.08 7.02 -1.26 -4.41 117.44 118.33 3g49 n TRP 764 Ca -0.01 0.00 0.49 0.00 -1.02 0.00 0.00 57.50 56.96 3g49 n TRP 764 Cb 0.19 -0.71 0.77 0.00 -2.42 0.00 0.00 31.31 29.14 3g49 n TRP 764 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3g49 n VAL 765 N -4.34 -0.09 -0.25 -0.99 0.31 -1.26 0.81 118.33 112.52 3g49 n VAL 765 Ca -0.32 1.60 0.21 0.00 -0.01 0.00 0.00 64.34 65.82 3g49 n VAL 765 Cb 0.67 -2.65 0.53 0.00 -0.91 0.00 0.00 33.84 31.48 3g49 n VAL 765 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3g49 h PRO 766 N 0.00 0.35 0.00 5.55 0.11 -1.78 -2.50 132.00 133.73 3g49 h PRO 766 Ca 0.92 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.84 3g49 h PRO 766 Cb 3.43 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 34.44 3g49 h PRO 766 CO -0.18 0.23 -0.78 1.88 -0.21 0.00 0.00 178.00 178.95 3g49 h TYR 767 N 0.37 0.00 0.00 0.65 0.05 0.14 -2.49 116.97 115.69 3g49 h TYR 767 Ca 0.49 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 59.13 3g49 h TYR 767 Cb 1.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.01 3g49 h TYR 767 CO -0.00 0.78 -0.67 -0.07 -1.05 0.00 0.00 178.16 177.15 3g49 h LEU 768 N 0.00 0.00 -0.06 3.88 3.38 -1.49 -3.18 115.31 117.84 3g49 h LEU 768 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g49 h LEU 768 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3g49 h LEU 768 CO 0.10 0.67 -0.24 0.18 0.09 0.00 0.00 178.44 179.24 3g49 n LEU 769 N -3.42 0.34 -0.02 1.67 4.77 -1.10 -4.37 117.00 114.87 3g49 n LEU 769 Ca 0.00 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 3g49 n LEU 769 Cb 0.74 -0.32 0.38 0.00 -2.33 0.00 0.00 43.42 41.89 3g49 n LEU 769 CO 0.42 0.08 0.63 0.61 -1.33 0.00 0.00 177.39 177.80 3g49 n GLY 770 N 1.45 -1.25 3.47 -0.72 0.00 -0.94 -4.97 105.19 102.23 3g49 n GLY 770 Ca 0.08 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3g49 n GLY 770 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g49 n ASN 771 N -1.41 -6.14 -0.30 1.61 2.85 -1.26 -4.78 115.26 105.82 3g49 n ASN 771 Ca 0.07 -0.66 0.16 0.00 -0.11 0.00 0.00 54.58 54.03 3g49 n ASN 771 Cb 0.33 -3.72 0.41 0.00 1.24 0.00 0.00 39.78 38.05 3g49 n ASN 771 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3g49 h PRO 772 N -0.63 0.59 0.00 1.20 0.11 -1.93 0.13 132.00 131.47 3g49 h PRO 772 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3g49 h PRO 772 Cb 1.25 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3g49 h PRO 772 CO 0.39 0.39 -0.05 0.78 -0.21 0.00 0.00 178.00 179.29 3g49 h GLY 773 N 0.61 0.00 1.76 -0.55 0.00 -2.00 -0.71 103.07 102.17 3g49 h GLY 773 Ca 0.52 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.67 3g49 h GLY 773 CO -0.27 0.00 -0.78 -0.09 0.00 0.00 0.00 176.54 175.40 3g49 h ARG 774 N 0.00 0.23 0.05 4.80 2.43 -1.28 -3.10 114.38 117.52 3g49 h ARG 774 Ca -0.00 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3g49 h ARG 774 Cb 0.50 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3g49 h ARG 774 CO 0.01 0.89 -0.03 0.87 -1.51 0.00 0.00 179.97 180.21 3g49 h LYS 775 N 0.14 -0.07 -0.36 0.20 1.57 -1.32 -1.12 116.57 115.62 3g49 h LYS 775 Ca -0.03 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3g49 h LYS 775 Cb 1.36 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.62 3g49 h LYS 775 CO 0.12 0.52 -0.42 0.82 -0.57 0.00 0.00 179.45 179.92 3g49 h ILE 776 N -0.75 0.00 -0.28 1.86 2.04 -1.29 -1.28 117.51 117.80 3g49 h ILE 776 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3g49 h ILE 776 Cb 0.62 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3g49 h ILE 776 CO 0.01 0.00 0.11 0.24 0.00 0.00 0.00 178.15 178.51 3g49 h MET 777 N -0.26 0.39 0.08 2.37 2.86 -1.49 -1.22 114.93 117.65 3g49 h MET 777 Ca 0.06 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3g49 h MET 777 Cb 0.43 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3g49 h MET 777 CO -0.48 0.33 -0.04 0.93 1.06 0.00 0.00 176.91 178.71 3g49 h GLU 778 N 0.39 -0.10 -0.68 1.72 5.08 -1.05 -1.19 114.58 118.75 3g49 h GLU 778 Ca 0.10 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 3g49 h GLU 778 Cb 0.08 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3g49 h GLU 778 CO -0.01 0.23 0.35 0.35 -1.00 0.00 0.00 179.01 178.93 3g49 h PHE 779 N -0.45 0.63 -0.03 4.33 3.04 -0.91 -3.00 116.94 120.56 3g49 h PHE 779 Ca -0.01 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.80 3g49 h PHE 779 Cb 0.38 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 3g49 h PHE 779 CO 0.04 0.26 -0.72 -0.07 -2.02 0.00 0.00 178.31 175.79 3g49 h LEU 780 N 0.62 0.20 -1.44 0.59 3.38 -1.18 -3.27 115.31 114.20 3g49 h LEU 780 Ca 0.32 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3g49 h LEU 780 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3g49 h LEU 780 CO -0.23 0.85 -0.24 0.28 0.09 0.00 0.00 178.44 179.19 3g49 h SER 781 N 0.11 0.00 -0.21 -0.43 0.02 -1.13 -3.16 113.55 108.75 3g49 h SER 781 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3g49 h SER 781 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3g49 h SER 781 CO 0.11 0.24 0.06 0.00 -1.14 0.00 0.00 176.83 176.10 3g49 h ALA 782 N 1.76 0.27 -0.79 3.77 0.00 -1.57 -2.55 119.26 120.15 3g49 h ALA 782 Ca -0.00 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 55.07 3g49 h ALA 782 Cb 0.59 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 3g49 h ALA 782 CO 0.03 -0.10 0.46 0.00 0.00 0.00 0.00 179.25 179.64 3g49 n ALA 783 N -2.27 0.80 0.59 0.00 0.00 -1.19 -1.64 120.51 116.79 3g49 n ALA 783 Ca -0.04 0.66 0.05 0.00 0.00 0.00 0.00 53.44 54.12 3g49 n ALA 783 Cb 0.16 -0.71 0.18 0.00 0.00 0.00 0.00 19.45 19.07 3g49 n ALA 783 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3g49 n GLU 784 N -4.37 2.17 -3.89 0.00 -0.58 -0.96 -4.88 120.64 108.13 3g49 n GLU 784 Ca 0.27 -1.44 -0.29 0.00 -0.42 0.00 0.00 57.16 55.27 3g49 n GLU 784 Cb 0.96 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 30.34 3g49 n GLU 784 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3g49 s TYR 785 N -1.60 3.50 -1.09 -0.32 1.51 -0.65 -5.02 117.35 113.68 3g49 s TYR 785 Ca 0.26 0.24 -0.10 0.00 -1.01 0.00 0.00 57.07 56.46 3g49 s TYR 785 Cb 0.15 -1.76 0.26 0.00 -0.11 0.00 0.00 41.96 40.51 3g49 s TYR 785 CO 0.15 0.54 1.11 1.21 -1.11 0.00 0.00 175.55 177.45 3g49 s ASN 786 N -2.75 7.25 0.58 2.29 3.04 -1.26 -4.89 114.94 119.21 3g49 s ASN 786 Ca 0.36 -3.46 0.28 0.00 0.04 0.00 0.00 52.86 50.08 3g49 s ASN 786 Cb -0.12 -2.23 1.76 0.00 -1.54 0.00 0.00 41.25 39.12 3g49 s ASN 786 CO 0.28 -0.35 2.24 -0.50 -3.04 0.00 0.00 177.10 175.72 3g49 h TRP 787 N 6.82 0.00 -0.49 0.43 4.06 -1.95 -2.16 115.95 122.65 3g49 h TRP 787 Ca 0.18 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.19 3g49 h TRP 787 Cb 0.89 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.96 3g49 h TRP 787 CO 0.81 0.00 -0.54 -0.44 -3.56 0.00 0.00 178.44 174.71 3g49 h ASP 788 N 0.00 -1.83 0.00 -3.49 3.32 -2.04 -3.54 116.42 108.83 3g49 h ASP 788 Ca 0.01 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3g49 h ASP 788 Cb 0.03 0.77 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3g49 h ASP 788 CO -0.00 -0.38 0.00 0.59 -1.72 0.00 0.00 179.24 177.73