#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mb4 n SER 620 N 0.00 3.65 0.05 3.14 2.88 -1.26 -4.90 113.62 117.18 3mb4 n SER 620 Ca 0.00 1.08 0.09 0.00 -1.33 0.00 0.00 58.87 58.70 3mb4 n SER 620 Cb 0.00 -1.52 0.37 0.00 -0.75 0.00 0.00 64.21 62.31 3mb4 n SER 620 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3mb4 n LYS 621 N 3.64 0.07 -2.72 -1.46 2.85 -1.26 -4.75 118.16 114.53 3mb4 n LYS 621 Ca 0.16 0.34 -0.43 0.00 -1.05 0.00 0.00 58.31 57.33 3mb4 n LYS 621 Cb 0.33 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 33.03 3mb4 n LYS 621 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3mb4 s TYR 622 N -3.13 3.20 0.33 5.58 2.02 -1.26 -5.03 117.35 119.06 3mb4 s TYR 622 Ca 0.05 1.15 -0.27 0.00 -0.37 0.00 0.00 57.07 57.63 3mb4 s TYR 622 Cb 0.09 -3.49 -0.09 0.00 -0.40 0.00 0.00 41.96 38.07 3mb4 s TYR 622 CO 0.30 -0.66 1.09 -1.64 -1.57 0.00 0.00 175.55 173.07 3mb4 s MET 623 N 3.38 4.42 0.93 -0.62 -1.94 -1.26 -5.05 119.30 119.17 3mb4 s MET 623 Ca 0.42 1.71 -0.10 0.00 -1.71 0.00 0.00 55.69 56.01 3mb4 s MET 623 Cb -0.13 -2.92 0.15 0.00 2.01 0.00 0.00 34.83 33.94 3mb4 s MET 623 CO 0.13 0.04 1.13 0.95 -0.01 0.00 0.00 175.02 177.25 3mb4 s THR 624 N -1.35 2.20 0.23 2.05 -4.23 -1.26 -4.75 115.64 108.53 3mb4 s THR 624 Ca 0.50 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.02 3mb4 s THR 624 Cb -0.29 -2.15 0.19 0.00 1.34 0.00 0.00 72.50 71.60 3mb4 s THR 624 CO 0.36 -0.08 1.76 -0.65 -0.54 0.00 0.00 174.62 175.47 3mb4 h PRO 625 N -1.89 0.52 -0.33 3.99 0.11 -1.99 -0.17 132.00 132.24 3mb4 h PRO 625 Ca -0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3mb4 h PRO 625 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3mb4 h PRO 625 CO 0.44 0.34 0.09 1.98 -0.21 0.00 0.00 178.00 180.64 3mb4 h MET 626 N 0.54 0.53 -0.87 1.05 1.85 -1.99 -1.33 114.93 114.69 3mb4 h MET 626 Ca 0.37 -0.12 0.12 0.00 -0.61 0.00 0.00 59.70 59.46 3mb4 h MET 626 Cb 0.47 -0.07 -0.08 0.00 0.43 0.00 0.00 31.60 32.34 3mb4 h MET 626 CO -0.32 0.57 0.50 1.96 -0.40 0.00 0.00 176.91 179.22 3mb4 h GLN 627 N 0.38 0.77 -0.59 0.39 4.20 -1.75 -1.07 115.11 117.43 3mb4 h GLN 627 Ca 0.11 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 3mb4 h GLN 627 Cb 0.27 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3mb4 h GLN 627 CO -0.00 0.51 0.07 1.96 -0.67 0.00 0.00 178.83 180.70 3mb4 h GLN 628 N 0.79 0.98 -0.21 1.46 4.20 -0.56 -1.25 115.11 120.52 3mb4 h GLN 628 Ca 0.44 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 3mb4 h GLN 628 Cb 0.48 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3mb4 h GLN 628 CO -0.28 0.92 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.44 3mb4 h LYS 629 N 0.91 0.47 -0.11 1.46 3.64 -0.65 0.20 116.57 122.49 3mb4 h LYS 629 Ca 0.18 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3mb4 h LYS 629 Cb 0.43 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3mb4 h LYS 629 CO 0.01 0.77 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.87 3mb4 h LEU 630 N 0.16 -0.10 -1.07 5.20 3.38 -1.15 -0.99 115.31 120.73 3mb4 h LEU 630 Ca 0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3mb4 h LEU 630 Cb 0.65 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3mb4 h LEU 630 CO 0.04 -0.04 0.62 -1.13 0.09 0.00 0.00 178.44 178.02 3mb4 h ASN 631 N -0.00 1.08 -0.38 -0.43 -0.73 -1.13 -1.30 115.58 112.68 3mb4 h ASN 631 Ca 0.05 -0.03 -0.14 0.00 1.87 0.00 0.00 56.30 58.05 3mb4 h ASN 631 Cb 0.08 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 3mb4 h ASN 631 CO -0.11 0.78 -0.31 -0.08 -0.37 0.00 0.00 177.43 177.34 3mb4 h GLU 632 N 1.27 0.89 -0.16 6.67 4.81 -0.43 -0.34 114.58 127.29 3mb4 h GLU 632 Ca 0.34 -0.45 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3mb4 h GLU 632 Cb -0.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3mb4 h GLU 632 CO -0.07 1.09 0.07 0.28 -0.73 0.00 0.00 179.01 179.65 3mb4 h VAL 633 N 0.70 1.14 -0.38 0.32 2.07 -0.95 -0.82 116.25 118.32 3mb4 h VAL 633 Ca 0.07 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3mb4 h VAL 633 Cb 0.90 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3mb4 h VAL 633 CO 0.08 0.13 0.14 0.22 0.02 0.00 0.00 177.57 178.16 3mb4 h TYR 634 N 0.12 0.24 -0.11 1.57 3.20 -1.10 -2.69 116.97 118.20 3mb4 h TYR 634 Ca 0.05 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 3mb4 h TYR 634 Cb 0.14 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3mb4 h TYR 634 CO -0.02 0.10 -0.39 0.93 -1.64 0.00 0.00 178.16 177.14 3mb4 h GLU 635 N 0.30 0.23 -0.60 1.82 4.39 -0.95 -1.27 114.58 118.50 3mb4 h GLU 635 Ca 0.17 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 3mb4 h GLU 635 Cb 0.15 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3mb4 h GLU 635 CO -0.17 0.59 0.24 0.00 -1.16 0.00 0.00 179.01 178.51 3mb4 h ALA 636 N 1.40 0.78 -0.08 3.43 0.00 -0.83 0.42 119.26 124.37 3mb4 h ALA 636 Ca 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3mb4 h ALA 636 Cb 0.78 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3mb4 h ALA 636 CO 0.06 0.40 -0.09 0.28 0.00 0.00 0.00 179.25 179.90 3mb4 h VAL 637 N 0.83 1.37 -0.85 0.00 2.07 -1.37 -2.73 116.25 115.57 3mb4 h VAL 637 Ca 0.20 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.49 3mb4 h VAL 637 Cb 0.21 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3mb4 h VAL 637 CO -0.02 0.35 0.55 0.50 0.02 0.00 0.00 177.57 178.97 3mb4 h LYS 638 N -0.22 1.03 -0.02 1.57 3.64 -1.05 -3.25 116.57 118.27 3mb4 h LYS 638 Ca 0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3mb4 h LYS 638 Cb 0.61 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3mb4 h LYS 638 CO 0.02 0.68 -0.36 0.09 -2.27 0.00 0.00 179.45 177.61 3mb4 n ASN 639 N -4.56 2.19 -4.76 4.20 3.02 0.12 -4.54 115.26 110.93 3mb4 n ASN 639 Ca 0.11 -1.59 -0.41 0.00 -0.03 0.00 0.00 54.58 52.65 3mb4 n ASN 639 Cb 0.10 0.35 -0.01 0.00 -0.61 0.00 0.00 39.78 39.60 3mb4 n ASN 639 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3mb4 s TYR 640 N -2.37 2.76 0.03 3.10 5.04 -1.03 -4.98 117.35 119.91 3mb4 s TYR 640 Ca 0.21 0.93 0.06 0.00 -2.44 0.00 0.00 57.07 55.82 3mb4 s TYR 640 Cb 0.19 -4.01 -0.02 0.00 0.35 0.00 0.00 41.96 38.47 3mb4 s TYR 640 CO 0.51 -3.26 -0.16 0.95 -1.34 0.00 0.00 175.55 172.24 3mb4 s THR 641 N -0.30 1.30 1.16 4.34 -4.23 -1.26 -3.20 115.64 113.44 3mb4 s THR 641 Ca 0.60 -0.99 -0.19 0.00 -1.18 0.00 0.00 61.69 59.92 3mb4 s THR 641 Cb -0.46 -1.14 0.30 0.00 1.34 0.00 0.00 72.50 72.53 3mb4 s THR 641 CO 0.51 0.13 0.81 -0.90 -0.54 0.00 0.00 174.62 174.63 3mb4 n ASP 642 N 2.04 -3.05 0.29 3.99 5.68 -0.69 -4.85 116.55 119.96 3mb4 n ASP 642 Ca -0.17 -0.87 0.18 0.00 -0.50 0.00 0.00 54.79 53.43 3mb4 n ASP 642 Cb 0.54 -0.84 0.84 0.00 -1.14 0.00 0.00 41.12 40.52 3mb4 n ASP 642 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3mb4 h LYS 643 N 0.00 0.00 -0.18 0.11 1.57 -2.01 -2.23 116.57 113.82 3mb4 h LYS 643 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3mb4 h LYS 643 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3mb4 h LYS 643 CO 0.21 0.02 0.00 0.54 -0.57 0.00 0.00 179.45 179.65 3mb4 n ARG 644 N -3.16 1.79 -1.01 3.15 1.74 -1.26 -4.93 116.66 112.97 3mb4 n ARG 644 Ca -0.01 -1.19 -0.00 0.00 -0.77 0.00 0.00 57.85 55.88 3mb4 n ARG 644 Cb 0.24 -1.41 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3mb4 n ARG 644 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mb4 n GLY 645 N 1.16 0.47 3.70 -0.13 0.00 -0.84 -5.03 105.19 104.52 3mb4 n GLY 645 Ca 0.16 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3mb4 n GLY 645 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mb4 s ARG 646 N -0.59 4.40 -0.43 1.61 3.52 -1.26 -4.83 118.95 121.37 3mb4 s ARG 646 Ca 0.00 1.72 -0.27 0.00 -0.13 0.00 0.00 55.73 57.06 3mb4 s ARG 646 Cb 0.00 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3mb4 s ARG 646 CO 0.00 -0.33 0.99 1.03 -0.81 0.00 0.00 175.30 176.18 3mb4 s ARG 647 N 1.53 3.70 0.57 5.12 0.52 -1.26 -1.70 118.95 127.43 3mb4 s ARG 647 Ca 0.58 0.44 0.34 0.00 -0.52 0.00 0.00 55.73 56.56 3mb4 s ARG 647 Cb -0.27 -3.87 1.71 0.00 0.52 0.00 0.00 34.95 33.04 3mb4 s ARG 647 CO 0.26 -1.16 2.14 -0.07 0.02 0.00 0.00 175.30 176.49 3mb4 h LEU 648 N 10.56 0.00 -0.87 2.53 4.07 -1.87 -2.49 115.31 127.24 3mb4 h LEU 648 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3mb4 h LEU 648 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 3mb4 h LEU 648 CO 1.04 0.05 0.00 0.77 -1.08 0.00 0.00 178.44 179.22 3mb4 h SER 649 N 0.00 0.00 -0.71 -0.43 4.64 -1.80 -3.37 113.55 111.89 3mb4 h SER 649 Ca -0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 3mb4 h SER 649 Cb 0.29 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.24 3mb4 h SER 649 CO 0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.69 3mb4 h ALA 650 N 2.21 0.20 0.00 5.18 0.00 -1.78 0.92 119.26 125.99 3mb4 h ALA 650 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3mb4 h ALA 650 Cb 0.33 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mb4 h ALA 650 CO 0.00 -0.56 0.00 0.97 0.00 0.00 0.00 179.25 179.66 3mb4 h ILE 651 N -0.08 0.00 -0.01 0.00 6.09 -1.86 -3.07 117.51 118.58 3mb4 h ILE 651 Ca 0.30 -0.54 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 3mb4 h ILE 651 Cb 0.56 1.49 0.00 0.00 0.47 0.00 0.00 36.82 39.34 3mb4 h ILE 651 CO -0.76 0.00 -0.43 0.49 -3.07 0.00 0.00 178.15 174.39 3mb4 n PHE 652 N -2.86 0.00 -0.13 2.19 3.72 0.28 -4.44 117.46 116.21 3mb4 n PHE 652 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 3mb4 n PHE 652 Cb 0.34 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3mb4 n PHE 652 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3mb4 h LEU 653 N 0.87 0.62 -7.06 4.37 3.38 -1.35 -1.03 115.31 115.10 3mb4 h LEU 653 Ca 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3mb4 h LEU 653 Cb 0.53 -0.16 -0.23 0.00 0.09 0.00 0.00 40.66 40.89 3mb4 h LEU 653 CO 0.00 0.72 -0.16 -0.60 0.09 0.00 0.00 178.44 178.49 3mb4 s ARG 654 N -5.18 0.53 0.47 1.13 3.52 -1.26 -1.08 118.95 117.09 3mb4 s ARG 654 Ca -0.13 1.19 -0.23 0.00 -0.13 0.00 0.00 55.73 56.43 3mb4 s ARG 654 Cb 0.10 0.39 -0.07 0.00 -1.56 0.00 0.00 34.95 33.80 3mb4 s ARG 654 CO 0.77 -0.19 1.21 -0.51 -0.81 0.00 0.00 175.30 175.77 3mb4 s LEU 655 N 2.20 3.99 1.14 -0.88 1.43 -1.26 -5.04 118.68 120.25 3mb4 s LEU 655 Ca -0.07 2.40 -0.17 0.00 -1.03 0.00 0.00 54.13 55.26 3mb4 s LEU 655 Cb -0.09 -4.24 0.26 0.00 0.03 0.00 0.00 46.19 42.15 3mb4 s LEU 655 CO -0.17 -1.04 1.11 -2.16 0.23 0.00 0.00 176.35 174.32 3mb4 s PRO 656 N -2.72 -0.70 0.68 1.29 0.04 -1.26 -5.04 135.00 127.28 3mb4 s PRO 656 Ca 0.65 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 3mb4 s PRO 656 Cb -0.31 -1.64 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 3mb4 s PRO 656 CO 0.38 -3.40 1.06 -1.54 0.04 0.00 0.00 177.00 173.54 3mb4 s SER 657 N -3.79 5.67 0.23 6.66 1.04 -1.26 -4.89 113.70 117.36 3mb4 s SER 657 Ca 0.69 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.41 3mb4 s SER 657 Cb -0.12 -2.27 0.37 0.00 0.10 0.00 0.00 66.02 64.10 3mb4 s SER 657 CO 0.56 -1.22 1.73 -0.09 0.98 0.00 0.00 173.24 175.20 3mb4 h ARG 658 N -0.57 0.39 -0.78 4.02 2.43 -1.96 -1.96 114.38 115.94 3mb4 h ARG 658 Ca -0.45 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.74 3mb4 h ARG 658 Cb 1.22 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 3mb4 h ARG 658 CO 0.61 0.26 0.51 0.77 -1.51 0.00 0.00 179.97 180.61 3mb4 h SER 659 N 0.40 0.82 -0.01 -3.80 0.02 -1.97 -1.33 113.55 107.68 3mb4 h SER 659 Ca 0.36 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.12 3mb4 h SER 659 Cb 0.51 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3mb4 h SER 659 CO -0.37 0.56 -0.63 -0.33 -1.14 0.00 0.00 176.83 174.92 3mb4 h GLU 660 N 0.95 0.63 -2.04 3.45 5.08 -1.80 -3.39 114.58 117.47 3mb4 h GLU 660 Ca 0.31 -0.44 -0.53 0.00 -1.00 0.00 0.00 59.36 57.70 3mb4 h GLU 660 Cb 0.05 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 28.97 3mb4 h GLU 660 CO -0.09 1.06 -1.08 -0.11 -1.00 0.00 0.00 179.01 177.79 3mb4 n LEU 661 N -3.94 1.06 -0.23 1.33 7.94 -0.79 -4.96 117.00 117.41 3mb4 n LEU 661 Ca -0.04 -4.97 0.02 0.00 -1.11 0.00 0.00 56.01 49.91 3mb4 n LEU 661 Cb 0.66 0.49 0.26 0.00 0.53 0.00 0.00 43.42 45.36 3mb4 n LEU 661 CO 0.49 2.19 1.24 1.55 -1.11 0.00 0.00 177.39 181.75 3mb4 h PRO 662 N 3.48 0.95 -0.83 1.96 0.13 -1.45 -2.02 132.00 134.23 3mb4 h PRO 662 Ca 0.10 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.22 3mb4 h PRO 662 Cb 0.88 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 3mb4 h PRO 662 CO 0.53 0.63 0.54 0.22 -0.23 0.00 0.00 178.00 179.69 3mb4 h ASP 663 N 0.98 0.83 -0.12 1.44 3.58 -1.93 -2.25 116.42 118.95 3mb4 h ASP 663 Ca 0.31 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 3mb4 h ASP 663 Cb 0.03 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3mb4 h ASP 663 CO -0.09 0.55 0.06 0.22 -2.88 0.00 0.00 179.24 177.10 3mb4 h TYR 664 N 0.95 0.18 0.00 0.28 3.20 -1.75 -2.15 116.97 117.68 3mb4 h TYR 664 Ca 0.34 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 3mb4 h TYR 664 Cb 0.15 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 3mb4 h TYR 664 CO -0.00 0.24 -0.12 1.88 -1.64 0.00 0.00 178.16 178.52 3mb4 h TYR 665 N 0.07 0.00 0.00 -3.82 0.05 -1.42 -0.38 116.97 111.47 3mb4 h TYR 665 Ca 0.04 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 3mb4 h TYR 665 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3mb4 h TYR 665 CO -0.03 0.12 -0.26 -0.07 -1.05 0.00 0.00 178.16 176.87 3mb4 h LEU 666 N 0.00 0.00 0.06 3.88 3.38 -1.04 -3.36 115.31 118.22 3mb4 h LEU 666 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 3mb4 h LEU 666 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3mb4 h LEU 666 CO 0.02 0.26 -2.26 0.41 0.09 0.00 0.00 178.44 176.96 3mb4 n THR 667 N -3.29 1.62 -3.63 0.22 -1.04 -0.74 -4.91 114.28 102.51 3mb4 n THR 667 Ca 0.01 -0.60 -0.39 0.00 -2.04 0.00 0.00 64.05 61.02 3mb4 n THR 667 Cb 0.52 -1.57 -0.11 0.00 -1.82 0.00 0.00 70.33 67.35 3mb4 n THR 667 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3mb4 s ILE 668 N -2.54 4.56 0.23 12.58 -1.09 -0.23 -4.97 121.20 129.74 3mb4 s ILE 668 Ca -0.29 -0.64 0.09 0.00 -2.23 0.00 0.00 60.65 57.57 3mb4 s ILE 668 Cb 0.08 -3.43 -0.08 0.00 -1.58 0.00 0.00 42.46 37.45 3mb4 s ILE 668 CO 0.67 -0.08 1.52 0.11 -1.23 0.00 0.00 174.94 175.93 3mb4 h LYS 669 N 8.39 0.02 -2.49 2.79 1.57 -1.88 -3.39 116.57 121.58 3mb4 h LYS 669 Ca -0.29 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.88 3mb4 h LYS 669 Cb 1.12 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.03 3mb4 h LYS 669 CO 0.64 0.73 -0.78 1.63 -0.57 0.00 0.00 179.45 181.10 3mb4 n LYS 670 N -3.69 1.36 -1.69 3.15 4.76 -1.26 -5.10 118.16 115.69 3mb4 n LYS 670 Ca -0.01 -3.96 -0.44 0.00 -2.87 0.00 0.00 58.31 51.03 3mb4 n LYS 670 Cb 0.71 -1.92 -0.02 0.00 -1.84 0.00 0.00 35.03 31.95 3mb4 n LYS 670 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3mb4 n PRO 671 N 1.83 2.22 -3.81 1.97 -0.02 -1.26 -4.89 135.00 131.04 3mb4 n PRO 671 Ca 0.25 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3mb4 n PRO 671 Cb 0.43 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.29 3mb4 n PRO 671 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3mb4 s MET 672 N -0.53 0.05 0.29 -0.52 1.75 -1.26 -5.07 119.30 114.02 3mb4 s MET 672 Ca 0.66 0.18 0.04 0.00 -1.25 0.00 0.00 55.69 55.32 3mb4 s MET 672 Cb -0.60 -0.08 -0.03 0.00 2.84 0.00 0.00 34.83 36.96 3mb4 s MET 672 CO 0.50 -0.08 0.25 0.16 -0.65 0.00 0.00 175.02 175.19 3mb4 s ASP 673 N 0.55 1.11 0.38 1.11 1.47 -1.26 -4.76 116.67 115.26 3mb4 s ASP 673 Ca -0.04 -1.61 0.19 0.00 1.18 0.00 0.00 52.55 52.27 3mb4 s ASP 673 Cb -0.06 0.51 0.69 0.00 -0.34 0.00 0.00 42.92 43.71 3mb4 s ASP 673 CO -0.02 -1.01 1.73 0.24 0.68 0.00 0.00 175.17 176.80 3mb4 h MET 674 N 2.29 0.00 -0.51 2.11 2.86 -1.06 -2.77 114.93 117.86 3mb4 h MET 674 Ca -0.29 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 3mb4 h MET 674 Cb 1.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 3mb4 h MET 674 CO 0.42 0.35 0.30 1.49 1.06 0.00 0.00 176.91 180.53 3mb4 h GLU 675 N 0.00 0.70 -0.49 1.72 4.57 -1.35 0.30 114.58 120.02 3mb4 h GLU 675 Ca -0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3mb4 h GLU 675 Cb 0.90 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 3mb4 h GLU 675 CO 0.05 0.52 0.32 0.87 -1.18 0.00 0.00 179.01 179.58 3mb4 h LYS 676 N 0.68 0.62 0.17 1.92 1.57 -1.80 -0.29 116.57 119.43 3mb4 h LYS 676 Ca 0.18 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3mb4 h LYS 676 Cb 0.01 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3mb4 h LYS 676 CO -0.03 0.41 -0.08 0.82 -0.57 0.00 0.00 179.45 180.00 3mb4 h ILE 677 N 0.64 0.86 -0.54 1.86 2.04 -1.24 -1.86 117.51 119.28 3mb4 h ILE 677 Ca 0.18 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 66.00 3mb4 h ILE 677 Cb -0.05 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 3mb4 h ILE 677 CO -0.05 0.02 0.27 -0.09 0.00 0.00 0.00 178.15 178.30 3mb4 h ARG 678 N -0.27 0.50 -0.81 2.37 2.43 -0.22 -0.52 114.38 117.86 3mb4 h ARG 678 Ca -0.02 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3mb4 h ARG 678 Cb 0.21 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3mb4 h ARG 678 CO 0.04 0.33 0.41 1.03 -1.51 0.00 0.00 179.97 180.27 3mb4 h SER 679 N 0.52 1.05 -0.55 -3.80 0.87 -0.88 0.47 113.55 111.22 3mb4 h SER 679 Ca 0.24 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 3mb4 h SER 679 Cb 0.16 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 3mb4 h SER 679 CO -0.17 0.88 -0.10 -0.74 -0.53 0.00 0.00 176.83 176.16 3mb4 h HIS 680 N 1.14 1.17 0.16 2.24 -0.00 -0.96 -1.76 115.15 117.14 3mb4 h HIS 680 Ca 0.28 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3mb4 h HIS 680 Cb 0.09 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 3mb4 h HIS 680 CO 0.01 1.07 -0.08 1.98 -0.00 0.00 0.00 177.93 180.91 3mb4 h MET 681 N 0.93 -0.21 0.00 5.26 -1.53 -0.79 -1.84 114.93 116.76 3mb4 h MET 681 Ca 0.14 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.40 3mb4 h MET 681 Cb 0.67 0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.77 3mb4 h MET 681 CO 0.05 -0.07 -0.11 0.52 0.14 0.00 0.00 176.91 177.44 3mb4 h MET 682 N -0.29 0.00 0.00 0.39 2.07 -0.86 0.19 114.93 116.42 3mb4 h MET 682 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 3mb4 h MET 682 Cb 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 3mb4 h MET 682 CO 0.04 0.11 0.00 0.00 1.07 0.00 0.00 176.91 178.13 3mb4 n ALA 683 N -2.41 2.67 -2.65 6.32 0.00 -0.67 -4.92 120.51 118.84 3mb4 n ALA 683 Ca -0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 3mb4 n ALA 683 Cb 0.20 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.15 3mb4 n ALA 683 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mb4 n ASN 684 N -0.99 -5.84 0.10 0.00 5.15 0.05 -4.92 115.26 108.81 3mb4 n ASN 684 Ca 0.23 -0.13 0.12 0.00 -0.60 0.00 0.00 54.58 54.19 3mb4 n ASN 684 Cb 0.11 -4.77 0.07 0.00 -0.53 0.00 0.00 39.78 34.66 3mb4 n ASN 684 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3mb4 h LYS 685 N -0.60 0.00 -6.25 1.20 1.79 -1.54 -3.45 116.57 107.72 3mb4 h LYS 685 Ca -0.49 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.42 3mb4 h LYS 685 Cb 1.35 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.96 3mb4 h LYS 685 CO 0.56 0.00 0.61 0.71 -1.08 0.00 0.00 179.45 180.25 3mb4 s TYR 686 N -3.28 3.44 -0.25 -1.35 2.02 -1.26 -4.92 117.35 111.76 3mb4 s TYR 686 Ca 0.03 1.52 0.20 0.00 -0.37 0.00 0.00 57.07 58.45 3mb4 s TYR 686 Cb 0.11 -3.23 0.06 0.00 -0.40 0.00 0.00 41.96 38.50 3mb4 s TYR 686 CO 0.76 -0.42 1.20 1.96 -1.57 0.00 0.00 175.55 177.48 3mb4 h GLN 687 N 7.20 0.00 -3.54 -0.62 1.08 -1.99 -3.48 115.11 113.75 3mb4 h GLN 687 Ca -0.30 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 56.82 3mb4 h GLN 687 Cb 1.14 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.50 3mb4 h GLN 687 CO 0.87 0.15 -0.01 0.16 -0.95 0.00 0.00 178.83 179.05 3mb4 s ASP 688 N -5.85 0.11 0.23 1.46 1.47 -1.26 -5.05 116.67 107.78 3mb4 s ASP 688 Ca 0.02 -1.04 -0.00 0.00 1.18 0.00 0.00 52.55 52.70 3mb4 s ASP 688 Cb 0.08 0.67 0.25 0.00 -0.34 0.00 0.00 42.92 43.58 3mb4 s ASP 688 CO 0.76 -1.30 1.61 0.40 0.68 0.00 0.00 175.17 177.31 3mb4 h ILE 689 N 2.14 1.30 -0.49 2.11 1.08 -1.95 -3.01 117.51 118.70 3mb4 h ILE 689 Ca -0.27 -1.56 -0.01 0.00 -0.39 0.00 0.00 64.86 62.63 3mb4 h ILE 689 Cb 1.25 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.55 3mb4 h ILE 689 CO 0.35 0.49 0.25 0.44 -0.69 0.00 0.00 178.15 179.00 3mb4 h ASP 690 N 0.43 0.60 -0.65 1.72 3.32 -1.98 -0.65 116.42 119.20 3mb4 h ASP 690 Ca 0.04 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3mb4 h ASP 690 Cb 0.89 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3mb4 h ASP 690 CO 0.08 0.49 0.10 0.28 -1.72 0.00 0.00 179.24 178.47 3mb4 h SER 691 N 0.68 1.04 -0.34 6.45 0.02 -1.95 -0.03 113.55 119.41 3mb4 h SER 691 Ca 0.17 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3mb4 h SER 691 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3mb4 h SER 691 CO -0.03 1.03 0.01 -0.03 -1.14 0.00 0.00 176.83 176.68 3mb4 h MET 692 N 1.00 0.59 -0.87 3.45 1.85 -1.45 -3.02 114.93 116.47 3mb4 h MET 692 Ca 0.20 -0.18 0.04 0.00 -0.61 0.00 0.00 59.70 59.15 3mb4 h MET 692 Cb 0.44 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.36 3mb4 h MET 692 CO 0.01 0.70 0.56 0.28 -0.40 0.00 0.00 176.91 178.06 3mb4 h VAL 693 N 0.41 1.12 -0.96 -5.77 2.07 -0.82 -1.55 116.25 110.74 3mb4 h VAL 693 Ca 0.10 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.39 3mb4 h VAL 693 Cb 0.43 -0.04 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 3mb4 h VAL 693 CO 0.01 0.19 0.58 -0.33 0.02 0.00 0.00 177.57 178.05 3mb4 h GLU 694 N 1.07 0.82 -0.38 1.57 5.08 -0.89 -0.17 114.58 121.68 3mb4 h GLU 694 Ca 0.35 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.54 3mb4 h GLU 694 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3mb4 h GLU 694 CO -0.13 0.55 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.75 3mb4 h ASP 695 N 0.85 0.86 -0.86 1.42 3.32 -1.20 -0.90 116.42 119.92 3mb4 h ASP 695 Ca 0.51 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3mb4 h ASP 695 Cb 0.62 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 3mb4 h ASP 695 CO -0.31 1.10 0.55 -0.26 -1.72 0.00 0.00 179.24 178.60 3mb4 h PHE 696 N 0.62 1.10 -0.58 4.55 0.04 -1.00 -1.22 116.94 120.46 3mb4 h PHE 696 Ca 0.08 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 3mb4 h PHE 696 Cb 0.80 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 3mb4 h PHE 696 CO 0.06 0.71 0.22 0.28 -0.60 0.00 0.00 178.31 178.99 3mb4 h VAL 697 N 1.17 1.23 -0.35 -0.55 2.07 -0.84 0.20 116.25 119.17 3mb4 h VAL 697 Ca 0.31 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3mb4 h VAL 697 Cb -0.10 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3mb4 h VAL 697 CO -0.06 0.28 0.14 -0.03 0.02 0.00 0.00 177.57 177.91 3mb4 h MET 698 N 0.80 0.29 -0.48 1.57 1.85 -0.90 0.12 114.93 118.17 3mb4 h MET 698 Ca 0.19 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.33 3mb4 h MET 698 Cb 0.21 -0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.12 3mb4 h MET 698 CO -0.01 0.19 0.15 1.98 -0.40 0.00 0.00 176.91 178.82 3mb4 h MET 699 N 0.30 0.30 -0.08 0.39 -1.53 -0.62 -0.47 114.93 113.22 3mb4 h MET 699 Ca 0.16 -0.02 -0.22 0.00 -3.44 0.00 0.00 59.70 56.18 3mb4 h MET 699 Cb 0.11 -0.07 0.01 0.00 -0.55 0.00 0.00 31.60 31.10 3mb4 h MET 699 CO -0.15 0.20 -0.83 0.74 0.14 0.00 0.00 176.91 177.01 3mb4 h PHE 700 N 0.31 0.85 -0.77 1.39 0.04 -0.68 -2.43 116.94 115.65 3mb4 h PHE 700 Ca 0.23 -0.40 0.05 0.00 2.80 0.00 0.00 57.97 60.65 3mb4 h PHE 700 Cb 0.26 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.24 3mb4 h PHE 700 CO -0.18 1.21 0.47 -0.91 -0.60 0.00 0.00 178.31 178.31 3mb4 h ASN 701 N 0.40 0.73 -0.53 2.17 2.35 -0.57 -0.71 115.58 119.41 3mb4 h ASN 701 Ca -0.06 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3mb4 h ASN 701 Cb 1.45 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.66 3mb4 h ASN 701 CO 0.16 0.48 0.29 0.78 -1.65 0.00 0.00 177.43 177.49 3mb4 h ASN 702 N 0.87 0.67 -0.86 5.81 2.35 -0.95 0.07 115.58 123.54 3mb4 h ASN 702 Ca 0.33 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 3mb4 h ASN 702 Cb 0.14 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 3mb4 h ASN 702 CO -0.16 0.57 0.50 0.00 -1.65 0.00 0.00 177.43 176.69 3mb4 h ALA 703 N 1.12 1.10 0.00 -0.83 0.00 -1.06 0.29 119.26 119.88 3mb4 h ALA 703 Ca 0.19 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3mb4 h ALA 703 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3mb4 h ALA 703 CO -0.03 0.58 -0.59 0.00 0.00 0.00 0.00 179.25 179.21 3mb4 h THR 705 N 0.00 1.50 -0.09 0.00 2.02 -0.84 -3.39 112.91 112.11 3mb4 h THR 705 Ca -0.01 -2.37 -0.21 0.00 0.77 0.00 0.00 66.41 64.59 3mb4 h THR 705 Cb 1.12 3.01 0.01 0.00 -1.74 0.00 0.00 68.15 70.56 3mb4 h THR 705 CO 0.08 0.67 -0.75 0.22 0.37 0.00 0.00 175.52 176.11 3mb4 h TYR 706 N -0.31 0.94 -2.78 3.16 3.20 -0.94 -3.46 116.97 116.77 3mb4 h TYR 706 Ca -0.11 -0.44 -0.59 0.00 3.14 0.00 0.00 58.73 60.73 3mb4 h TYR 706 Cb 1.50 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.59 3mb4 h TYR 706 CO 0.18 1.26 -0.52 -0.80 -1.64 0.00 0.00 178.16 176.65 3mb4 s ASN 707 N -7.01 6.06 0.56 -2.11 0.01 -0.89 -5.09 114.94 106.47 3mb4 s ASN 707 Ca -0.11 0.11 -0.19 0.00 -0.71 0.00 0.00 52.86 51.96 3mb4 s ASN 707 Cb 0.07 -1.77 -0.05 0.00 0.41 0.00 0.00 41.25 39.91 3mb4 s ASN 707 CO 0.88 0.11 1.16 -1.61 -1.51 0.00 0.00 177.10 176.13 3mb4 s GLU 708 N -2.87 3.21 0.58 -0.60 0.41 -1.26 -4.76 118.70 113.40 3mb4 s GLU 708 Ca 0.33 1.68 0.30 0.00 -0.41 0.00 0.00 54.97 56.88 3mb4 s GLU 708 Cb -0.12 -1.98 1.76 0.00 -1.78 0.00 0.00 34.13 32.02 3mb4 s GLU 708 CO 0.26 -0.98 2.21 -1.35 -0.49 0.00 0.00 175.26 174.91 3mb4 h PRO 709 N 1.06 0.00 0.00 0.39 0.11 -1.97 -1.70 132.00 129.90 3mb4 h PRO 709 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3mb4 h PRO 709 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3mb4 h PRO 709 CO 0.56 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3mb4 n GLU 710 N -3.70 0.00 -2.51 1.05 4.71 -1.26 -4.47 120.64 114.45 3mb4 n GLU 710 Ca -0.03 0.05 -0.34 0.00 -0.01 0.00 0.00 57.16 56.83 3mb4 n GLU 710 Cb 0.13 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 3mb4 n GLU 710 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3mb4 s SER 711 N -3.00 6.30 0.21 1.62 1.04 -0.64 -4.93 113.70 114.31 3mb4 s SER 711 Ca 0.13 1.92 -0.09 0.00 0.48 0.00 0.00 55.95 58.39 3mb4 s SER 711 Cb 0.17 -2.56 0.23 0.00 0.10 0.00 0.00 66.02 63.97 3mb4 s SER 711 CO 0.48 -0.81 1.83 0.25 0.98 0.00 0.00 173.24 175.98 3mb4 h LEU 712 N 1.49 0.68 -0.17 2.42 5.85 -1.89 -1.41 115.31 122.28 3mb4 h LEU 712 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3mb4 h LEU 712 Cb 1.22 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3mb4 h LEU 712 CO 0.59 0.46 0.11 0.40 -0.34 0.00 0.00 178.44 179.66 3mb4 h ILE 713 N 0.82 1.05 -0.06 4.05 2.04 -1.92 0.31 117.51 123.79 3mb4 h ILE 713 Ca 0.30 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.11 3mb4 h ILE 713 Cb 0.10 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3mb4 h ILE 713 CO -0.15 0.04 -0.18 0.22 0.00 0.00 0.00 178.15 178.09 3mb4 h TYR 714 N 0.23 -0.47 -0.75 1.37 3.20 -1.75 -1.00 116.97 117.80 3mb4 h TYR 714 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3mb4 h TYR 714 Cb -0.02 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3mb4 h TYR 714 CO -0.07 -0.26 0.49 0.87 -1.64 0.00 0.00 178.16 177.55 3mb4 h LYS 715 N -0.26 0.99 -0.76 1.82 1.57 -0.78 -2.39 116.57 116.75 3mb4 h LYS 715 Ca 0.07 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3mb4 h LYS 715 Cb 0.37 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3mb4 h LYS 715 CO -0.21 0.67 0.34 -0.44 -0.57 0.00 0.00 179.45 179.23 3mb4 h ASP 716 N 1.02 1.01 -0.62 0.86 3.32 -0.21 -2.32 116.42 119.47 3mb4 h ASP 716 Ca 0.27 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.24 3mb4 h ASP 716 Cb -0.10 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.14 3mb4 h ASP 716 CO -0.06 0.87 0.34 0.00 -1.72 0.00 0.00 179.24 178.68 3mb4 h ALA 717 N 1.28 0.82 -0.55 3.45 0.00 -0.71 -0.77 119.26 122.78 3mb4 h ALA 717 Ca 0.26 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3mb4 h ALA 717 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mb4 h ALA 717 CO -0.03 0.02 0.09 -0.07 0.00 0.00 0.00 179.25 179.26 3mb4 h LEU 718 N 0.65 0.87 -0.16 0.00 3.38 -1.17 -0.18 115.31 118.70 3mb4 h LEU 718 Ca 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3mb4 h LEU 718 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3mb4 h LEU 718 CO -0.16 0.91 0.03 0.58 0.09 0.00 0.00 178.44 179.89 3mb4 h VAL 719 N 0.80 1.21 -0.20 1.22 2.07 -1.11 -2.59 116.25 117.64 3mb4 h VAL 719 Ca 0.17 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 3mb4 h VAL 719 Cb 0.41 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3mb4 h VAL 719 CO 0.01 0.20 -0.14 -0.07 0.02 0.00 0.00 177.57 177.59 3mb4 h LEU 720 N 0.06 0.32 -0.65 2.57 3.38 -1.02 -0.25 115.31 119.73 3mb4 h LEU 720 Ca 0.05 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3mb4 h LEU 720 Cb 0.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3mb4 h LEU 720 CO 0.00 0.50 0.43 -0.74 0.09 0.00 0.00 178.44 178.72 3mb4 h HIS 721 N 0.32 0.81 -0.38 1.13 2.76 -1.00 0.12 115.15 118.91 3mb4 h HIS 721 Ca 0.06 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3mb4 h HIS 721 Cb 0.45 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 3mb4 h HIS 721 CO 0.01 0.51 0.09 1.57 -1.30 0.00 0.00 177.93 178.81 3mb4 h LYS 722 N 0.87 0.61 -0.62 5.26 -0.00 -1.00 -1.49 116.57 120.22 3mb4 h LYS 722 Ca 0.24 -0.15 0.08 0.00 -0.00 0.00 0.00 60.65 60.82 3mb4 h LYS 722 Cb -0.09 -0.08 -0.06 0.00 -0.00 0.00 0.00 32.23 31.99 3mb4 h LYS 722 CO -0.05 0.65 0.28 0.28 -0.00 0.00 0.00 179.45 180.60 3mb4 h VAL 723 N 0.47 0.85 0.21 0.07 2.07 -0.68 0.12 116.25 119.37 3mb4 h VAL 723 Ca 0.12 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3mb4 h VAL 723 Cb 0.31 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3mb4 h VAL 723 CO 0.00 0.09 -0.29 0.25 0.02 0.00 0.00 177.57 177.64 3mb4 h LEU 724 N 0.50 -0.81 -0.86 2.57 5.85 -0.53 -0.60 115.31 121.43 3mb4 h LEU 724 Ca 0.30 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 3mb4 h LEU 724 Cb 0.30 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 3mb4 h LEU 724 CO -0.25 -0.40 0.07 -0.07 -0.34 0.00 0.00 178.44 177.45 3mb4 h LEU 725 N -0.56 0.88 -0.46 2.25 3.38 -0.66 -1.08 115.31 119.06 3mb4 h LEU 725 Ca 0.01 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3mb4 h LEU 725 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3mb4 h LEU 725 CO -0.11 0.90 -0.05 -0.33 0.09 0.00 0.00 178.44 178.94 3mb4 h GLU 726 N 0.87 0.84 -0.45 1.13 5.08 -0.64 -1.75 114.58 119.65 3mb4 h GLU 726 Ca 0.17 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3mb4 h GLU 726 Cb 0.41 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3mb4 h GLU 726 CO 0.01 0.92 0.20 1.15 -1.00 0.00 0.00 179.01 180.29 3mb4 h THR 727 N 0.68 1.19 -1.01 1.13 2.02 -0.81 0.14 112.91 116.26 3mb4 h THR 727 Ca 0.12 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.75 3mb4 h THR 727 Cb 0.57 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 3mb4 h THR 727 CO 0.03 0.22 0.67 -0.09 0.37 0.00 0.00 175.52 176.71 3mb4 h ARG 728 N 0.58 1.30 -0.19 6.66 2.43 -1.07 -1.84 114.38 122.25 3mb4 h ARG 728 Ca 0.15 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 3mb4 h ARG 728 Cb 0.15 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3mb4 h ARG 728 CO -0.02 0.86 -0.49 -0.09 -1.51 0.00 0.00 179.97 178.73 3mb4 h ARG 729 N 1.34 0.66 -0.11 0.20 2.43 -1.05 -2.95 114.38 114.90 3mb4 h ARG 729 Ca 0.38 -0.46 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3mb4 h ARG 729 Cb -0.11 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3mb4 h ARG 729 CO -0.09 1.08 0.10 -0.44 -1.51 0.00 0.00 179.97 179.11 3mb4 h ASP 730 N 0.35 0.00 -0.45 -3.80 3.32 -0.31 -1.75 116.42 113.78 3mb4 h ASP 730 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3mb4 h ASP 730 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3mb4 h ASP 730 CO 0.11 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.81 3mb4 n LEU 731 N -4.09 3.51 -0.19 1.55 4.32 -0.73 -4.53 117.00 116.84 3mb4 n LEU 731 Ca -0.00 -1.62 0.14 0.00 -0.02 0.00 0.00 56.01 54.51 3mb4 n LEU 731 Cb 0.21 -0.29 0.47 0.00 -1.62 0.00 0.00 43.42 42.18 3mb4 n LEU 731 CO 0.30 0.79 1.21 1.05 -1.22 0.00 0.00 177.39 179.52 3mb4 h GLU 732 N 4.24 0.49 -0.64 3.23 4.11 -1.14 0.78 114.58 125.65 3mb4 h GLU 732 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 3mb4 h GLU 732 Cb 0.96 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3mb4 h GLU 732 CO 0.00 0.32 0.00 0.41 0.07 0.00 0.00 179.01 179.81 3mb4 n GLY 733 N -1.50 2.71 3.94 1.06 0.00 -1.26 -5.13 105.19 105.01 3mb4 n GLY 733 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3mb4 n GLY 733 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54