#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c1c s HIS 639 N 0.00 3.17 -0.14 0.54 5.65 -1.26 -5.13 115.29 118.13 3c1c s HIS 639 Ca 0.00 0.09 -0.14 0.00 0.25 0.00 0.00 55.06 55.26 3c1c s HIS 639 Cb 0.00 -1.64 0.04 0.00 -1.18 0.00 0.00 32.58 29.80 3c1c s HIS 639 CO 0.00 0.51 0.39 0.50 -0.65 0.00 0.00 174.74 175.49 3c1c s ARG 640 N -2.12 0.48 0.28 2.88 3.52 -1.26 -5.16 118.95 117.57 3c1c s ARG 640 Ca 0.26 0.48 -0.26 0.00 -0.13 0.00 0.00 55.73 56.08 3c1c s ARG 640 Cb -0.12 0.23 -0.09 0.00 -1.56 0.00 0.00 34.95 33.41 3c1c s ARG 640 CO 0.18 -0.07 0.90 0.71 -0.81 0.00 0.00 175.30 176.21 3c1c s TYR 641 N 0.07 3.78 0.53 5.12 1.51 -1.26 -5.05 117.35 122.06 3c1c s TYR 641 Ca -0.01 1.75 -0.20 0.00 -1.01 0.00 0.00 57.07 57.61 3c1c s TYR 641 Cb -0.03 -2.88 -0.06 0.00 -0.11 0.00 0.00 41.96 38.87 3c1c s TYR 641 CO 0.01 0.31 1.11 1.03 -1.11 0.00 0.00 175.55 176.91 3c1c s ARG 642 N -1.75 3.45 0.01 -0.62 0.52 -1.26 -4.92 118.95 114.38 3c1c s ARG 642 Ca 0.46 1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 56.94 3c1c s ARG 642 Cb -0.21 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.15 3c1c s ARG 642 CO 0.26 -0.76 1.98 -1.25 0.02 0.00 0.00 175.30 175.55 3c1c s PRO 643 N -3.26 4.04 0.00 3.54 0.04 -1.26 -1.99 135.00 136.11 3c1c s PRO 643 Ca 0.71 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.29 3c1c s PRO 643 Cb -0.23 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.14 3c1c s PRO 643 CO 0.26 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.63 3c1c n GLY 644 N 4.66 3.17 0.14 0.56 0.00 -1.26 -4.98 105.19 107.47 3c1c n GLY 644 Ca 0.21 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 3c1c n GLY 644 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3c1c h THR 645 N 0.00 0.89 0.01 2.61 2.02 -1.76 -2.59 112.91 114.09 3c1c h THR 645 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3c1c h THR 645 Cb 0.00 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3c1c h THR 645 CO 0.00 0.04 -0.01 0.58 0.37 0.00 0.00 175.52 176.50 3c1c h VAL 646 N 0.21 1.39 -0.86 3.16 2.07 -1.94 -2.56 116.25 117.72 3c1c h VAL 646 Ca 0.13 -1.23 0.22 0.00 0.82 0.00 0.00 66.70 66.64 3c1c h VAL 646 Cb 0.12 2.22 -0.15 0.00 -1.52 0.00 0.00 31.29 31.96 3c1c h VAL 646 CO -0.15 0.32 0.12 0.00 0.02 0.00 0.00 177.57 177.87 3c1c h ALA 647 N 0.43 1.09 0.00 1.67 0.00 -1.93 0.27 119.26 120.79 3c1c h ALA 647 Ca -0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3c1c h ALA 647 Cb 0.53 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3c1c h ALA 647 CO 0.00 -0.47 -0.00 -0.07 0.00 0.00 0.00 179.25 178.71 3c1c h LEU 648 N 0.13 -0.00 -1.03 0.00 3.38 -1.44 -0.54 115.31 115.82 3c1c h LEU 648 Ca 0.52 -0.12 0.26 0.00 0.09 0.00 0.00 57.88 58.63 3c1c h LEU 648 Cb 1.01 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 3c1c h LEU 648 CO -0.71 0.12 0.60 0.03 0.09 0.00 0.00 178.44 178.56 3c1c h ARG 649 N -0.12 0.52 0.00 1.13 3.08 -0.18 0.13 114.38 118.95 3c1c h ARG 649 Ca -0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3c1c h ARG 649 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3c1c h ARG 649 CO 0.00 0.35 -0.37 0.93 -1.07 0.00 0.00 179.97 179.80 3c1c h GLU 650 N 0.54 0.00 0.01 0.04 5.08 0.74 -1.06 114.58 119.93 3c1c h GLU 650 Ca 0.65 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.98 3c1c h GLU 650 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3c1c h GLU 650 CO -0.48 0.37 -0.15 0.82 -1.00 0.00 0.00 179.01 178.57 3c1c h ILE 651 N 0.00 1.66 -0.92 3.13 2.04 0.50 -1.12 117.51 122.79 3c1c h ILE 651 Ca -0.00 -2.12 0.14 0.00 1.00 0.00 0.00 64.86 63.88 3c1c h ILE 651 Cb 0.72 3.07 -0.09 0.00 -0.74 0.00 0.00 36.82 39.77 3c1c h ILE 651 CO 0.05 0.56 0.54 0.03 0.00 0.00 0.00 178.15 179.33 3c1c h ARG 652 N -0.74 0.77 0.59 2.37 3.08 -1.14 0.31 114.38 119.61 3c1c h ARG 652 Ca -0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3c1c h ARG 652 Cb 1.01 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.89 3c1c h ARG 652 CO 0.03 0.51 -0.28 -0.09 -1.07 0.00 0.00 179.97 179.06 3c1c h ARG 653 N 0.79 -0.76 -0.45 0.04 2.43 -1.21 -2.93 114.38 112.28 3c1c h ARG 653 Ca 0.49 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.68 3c1c h ARG 653 Cb 0.61 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 3c1c h ARG 653 CO -0.32 -0.51 0.16 1.88 -1.51 0.00 0.00 179.97 179.67 3c1c h TYR 654 N -1.05 0.65 0.00 2.20 0.99 -0.94 0.32 116.97 119.14 3c1c h TYR 654 Ca -0.08 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.62 3c1c h TYR 654 Cb 0.60 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.13 3c1c h TYR 654 CO 0.03 0.53 0.00 1.04 -0.00 0.00 0.00 178.16 179.75 3c1c n GLN 655 N -4.35 0.02 0.02 4.88 6.02 0.11 -2.30 117.38 121.78 3c1c n GLN 655 Ca 0.03 0.25 0.11 0.00 -0.01 0.00 0.00 57.00 57.38 3c1c n GLN 655 Cb 0.17 -1.53 -0.08 0.00 1.02 0.00 0.00 30.24 29.81 3c1c n GLN 655 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3c1c n LYS 656 N -1.57 0.45 -3.66 -1.09 4.81 0.07 -4.98 118.16 112.19 3c1c n LYS 656 Ca 0.04 -0.06 -0.24 0.00 -0.87 0.00 0.00 58.31 57.17 3c1c n LYS 656 Cb 0.19 -1.59 0.01 0.00 0.02 0.00 0.00 35.03 33.66 3c1c n LYS 656 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3c1c s SER 657 N -4.26 4.76 0.00 3.14 1.04 -0.97 -5.07 113.70 112.33 3c1c s SER 657 Ca -0.01 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3c1c s SER 657 Cb 0.14 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3c1c s SER 657 CO 0.85 -1.16 0.07 0.35 0.98 0.00 0.00 173.24 174.34 3c1c n THR 658 N -1.88 0.00 -1.60 2.02 -2.24 -1.26 -4.99 114.28 104.33 3c1c n THR 658 Ca 0.03 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 3c1c n THR 658 Cb 0.64 1.29 0.07 0.00 -2.10 0.00 0.00 70.33 70.23 3c1c n THR 658 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3c1c s GLU 659 N -0.19 2.41 0.65 -0.78 1.03 -1.26 -4.94 118.70 115.62 3c1c s GLU 659 Ca 0.00 1.73 -0.16 0.00 0.03 0.00 0.00 54.97 56.57 3c1c s GLU 659 Cb 0.00 -1.87 -0.01 0.00 -0.80 0.00 0.00 34.13 31.46 3c1c s GLU 659 CO 0.00 -1.62 1.16 -0.51 -1.33 0.00 0.00 175.26 172.96 3c1c s LEU 660 N -4.87 3.48 -0.02 1.83 1.43 -1.26 -4.97 118.68 114.30 3c1c s LEU 660 Ca 0.74 2.22 0.20 0.00 -1.03 0.00 0.00 54.13 56.26 3c1c s LEU 660 Cb -0.28 -4.58 -0.29 0.00 0.03 0.00 0.00 46.19 41.07 3c1c s LEU 660 CO 0.42 -1.75 0.53 0.18 0.23 0.00 0.00 176.35 175.96 3c1c n LEU 661 N -2.15 0.20 -4.79 1.79 4.77 -1.26 -4.94 117.00 110.62 3c1c n LEU 661 Ca 0.12 -0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.62 3c1c n LEU 661 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3c1c n LEU 661 CO 0.46 0.05 0.08 -0.63 -1.33 0.00 0.00 177.39 176.02 3c1c s ILE 662 N -3.29 5.15 0.20 -0.08 1.01 -1.26 -5.01 121.20 117.92 3c1c s ILE 662 Ca -0.04 0.77 -0.31 0.00 0.00 0.00 0.00 60.65 61.07 3c1c s ILE 662 Cb 0.13 -3.70 -0.16 0.00 0.01 0.00 0.00 42.46 38.74 3c1c s ILE 662 CO 0.83 0.48 0.95 0.54 0.00 0.00 0.00 174.94 177.74 3c1c n ARG 663 N 2.69 0.82 0.14 2.79 5.12 -1.26 -4.91 116.66 122.04 3c1c n ARG 663 Ca -0.12 0.29 -0.06 0.00 -1.93 0.00 0.00 57.85 56.03 3c1c n ARG 663 Cb 0.52 -1.63 -0.03 0.00 -1.16 0.00 0.00 32.46 30.17 3c1c n ARG 663 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3c1c h LYS 664 N 2.35 -0.37 -0.74 5.56 1.57 -1.98 -3.09 116.57 119.88 3c1c h LYS 664 Ca -0.39 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.58 3c1c h LYS 664 Cb 1.37 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.65 3c1c h LYS 664 CO 0.64 -0.25 0.08 1.25 -0.57 0.00 0.00 179.45 180.60 3c1c h LEU 665 N -0.70 -0.19 -0.06 2.94 5.85 -2.00 -1.58 115.31 119.57 3c1c h LEU 665 Ca -0.04 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3c1c h LEU 665 Cb 0.30 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3c1c h LEU 665 CO 0.07 -0.12 -0.07 -0.65 -0.34 0.00 0.00 178.44 177.32 3c1c h PRO 666 N 0.16 -0.09 0.09 5.25 0.11 -1.96 -2.44 132.00 133.13 3c1c h PRO 666 Ca 0.41 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.54 3c1c h PRO 666 Cb 0.72 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.81 3c1c h PRO 666 CO -0.59 -0.06 -0.50 0.35 -0.21 0.00 0.00 178.00 176.98 3c1c h PHE 667 N -0.09 -1.47 -0.83 0.65 3.57 -1.22 -1.85 116.94 115.70 3c1c h PHE 667 Ca 0.05 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.73 3c1c h PHE 667 Cb 0.16 0.63 -0.14 0.00 2.79 0.00 0.00 35.95 39.39 3c1c h PHE 667 CO -0.17 -0.56 -0.28 0.94 -2.23 0.00 0.00 178.31 176.01 3c1c n GLN 668 N -5.31 -0.15 -0.03 1.11 7.27 -0.85 0.11 117.38 119.54 3c1c n GLN 668 Ca -0.08 1.28 -0.09 0.00 0.07 0.00 0.00 57.00 58.19 3c1c n GLN 668 Cb 0.39 -1.91 -0.02 0.00 2.41 0.00 0.00 30.24 31.10 3c1c n GLN 668 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3c1c h ARG 669 N 0.00 -0.24 -0.98 3.69 3.08 -0.88 0.20 114.38 119.25 3c1c h ARG 669 Ca 0.33 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.52 3c1c h ARG 669 Cb 0.54 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 3c1c h ARG 669 CO -0.84 -0.16 0.61 1.25 -1.07 0.00 0.00 179.97 179.76 3c1c h LEU 670 N -0.25 0.89 -0.36 3.04 5.85 0.14 0.11 115.31 124.73 3c1c h LEU 670 Ca 0.12 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3c1c h LEU 670 Cb 0.44 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3c1c h LEU 670 CO -0.35 0.47 -0.02 0.58 -0.34 0.00 0.00 178.44 178.79 3c1c h VAL 671 N 0.96 1.26 0.00 1.05 2.07 0.14 -1.41 116.25 120.33 3c1c h VAL 671 Ca 0.49 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3c1c h VAL 671 Cb 0.48 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3c1c h VAL 671 CO -0.27 0.34 -0.17 0.03 0.02 0.00 0.00 177.57 177.52 3c1c h ARG 672 N 0.46 0.00 0.34 1.57 3.08 0.85 -0.13 114.38 120.55 3c1c h ARG 672 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3c1c h ARG 672 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3c1c h ARG 672 CO 0.02 0.17 -0.16 1.49 -1.07 0.00 0.00 179.97 180.42 3c1c h GLU 673 N 0.00 -0.43 -0.95 0.04 4.81 -0.55 -2.64 114.58 114.85 3c1c h GLU 673 Ca -0.00 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.44 3c1c h GLU 673 Cb 0.30 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.68 3c1c h GLU 673 CO 0.02 -0.29 0.54 0.82 -0.73 0.00 0.00 179.01 179.37 3c1c h ILE 674 N -0.95 0.69 -0.53 2.32 2.04 -1.19 0.56 117.51 120.45 3c1c h ILE 674 Ca -0.05 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 3c1c h ILE 674 Cb 0.35 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3c1c h ILE 674 CO 0.08 0.13 0.17 0.00 0.00 0.00 0.00 178.15 178.52 3c1c h ALA 675 N 1.63 0.69 -0.06 1.87 0.00 -1.09 -2.48 119.26 119.82 3c1c h ALA 675 Ca 0.55 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3c1c h ALA 675 Cb 0.85 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3c1c h ALA 675 CO -0.39 0.34 -0.03 0.37 0.00 0.00 0.00 179.25 179.54 3c1c h GLN 676 N 0.72 0.08 -0.89 0.00 4.15 -0.54 0.30 115.11 118.93 3c1c h GLN 676 Ca 0.17 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.63 3c1c h GLN 676 Cb 0.27 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 3c1c h GLN 676 CO -0.01 0.12 0.58 -0.44 -1.93 0.00 0.00 178.83 177.16 3c1c h ASP 677 N 0.08 0.93 0.72 -0.69 5.19 -0.82 -3.40 116.42 118.44 3c1c h ASP 677 Ca 0.02 -0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.17 3c1c h ASP 677 Cb 0.11 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3c1c h ASP 677 CO 0.00 0.63 -1.23 -0.26 -3.12 0.00 0.00 179.24 175.26 3c1c h PHE 678 N 1.07 0.29 -1.73 4.55 0.04 -0.41 -3.52 116.94 117.24 3c1c h PHE 678 Ca 0.37 -0.21 0.23 0.00 2.80 0.00 0.00 57.97 61.15 3c1c h PHE 678 Cb 0.09 -0.01 -0.16 0.00 2.20 0.00 0.00 35.95 38.07 3c1c h PHE 678 CO -0.00 1.18 0.72 -0.08 -0.60 0.00 0.00 178.31 179.53 3c1c s THR 680 N -2.66 0.00 -1.59 -1.55 -1.32 -1.26 -5.13 115.64 102.13 3c1c s THR 680 Ca -0.03 -0.09 -0.03 0.00 -1.21 0.00 0.00 61.69 60.33 3c1c s THR 680 Cb 0.08 -1.24 0.01 0.00 -1.51 0.00 0.00 72.50 69.83 3c1c s THR 680 CO 0.85 0.00 0.33 0.47 -2.21 0.00 0.00 174.62 174.06 3c1c n ASP 681 N -0.22 -5.71 -4.92 8.08 9.92 -1.26 -4.97 116.55 117.47 3c1c n ASP 681 Ca -0.04 -0.16 -0.28 0.00 -0.53 0.00 0.00 54.79 53.79 3c1c n ASP 681 Cb 0.60 -4.69 -0.03 0.00 -0.64 0.00 0.00 41.12 36.36 3c1c n ASP 681 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3c1c s LEU 682 N -6.35 4.15 0.31 0.64 1.43 -1.26 -5.12 118.68 112.48 3c1c s LEU 682 Ca 0.17 0.54 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 3c1c s LEU 682 Cb -0.08 -3.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 3c1c s LEU 682 CO 0.22 -0.11 -0.08 -0.13 0.23 0.00 0.00 176.35 176.48 3c1c s ARG 683 N -3.41 1.66 -0.02 1.70 0.52 -1.26 -5.15 118.95 113.00 3c1c s ARG 683 Ca 0.41 -1.85 -0.00 0.00 -0.52 0.00 0.00 55.73 53.77 3c1c s ARG 683 Cb -0.11 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 33.99 3c1c s ARG 683 CO 0.29 0.09 0.03 -0.06 0.02 0.00 0.00 175.30 175.67 3c1c s PHE 684 N -2.84 0.02 0.08 -0.53 0.40 -1.26 -5.11 117.98 108.74 3c1c s PHE 684 Ca 0.31 0.13 -0.31 0.00 -0.60 0.00 0.00 56.93 56.46 3c1c s PHE 684 Cb 0.03 -0.20 -0.07 0.00 0.51 0.00 0.00 43.02 43.28 3c1c s PHE 684 CO 0.14 -0.08 1.43 -0.65 0.70 0.00 0.00 175.22 176.76 3c1c s GLN 685 N 0.94 4.29 0.25 0.44 -0.21 -1.26 -4.85 119.66 119.26 3c1c s GLN 685 Ca -0.08 2.09 -0.07 0.00 0.02 0.00 0.00 55.36 57.32 3c1c s GLN 685 Cb -0.11 -3.37 0.41 0.00 1.00 0.00 0.00 33.01 30.94 3c1c s GLN 685 CO -0.03 -0.51 1.37 -1.13 -2.12 0.00 0.00 175.29 172.87 3c1c n SER 686 N 4.50 -0.31 0.24 5.90 3.41 -1.26 0.13 113.62 126.24 3c1c n SER 686 Ca 0.12 1.51 0.07 0.00 -0.26 0.00 0.00 58.87 60.32 3c1c n SER 686 Cb 0.42 -0.46 0.58 0.00 -0.26 0.00 0.00 64.21 64.50 3c1c n SER 686 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3c1c h SER 687 N 0.00 0.00 -0.29 4.04 4.64 -1.99 -2.13 113.55 117.82 3c1c h SER 687 Ca 0.42 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 3c1c h SER 687 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3c1c h SER 687 CO -0.90 0.08 0.07 0.00 -0.87 0.00 0.00 176.83 175.20 3c1c h ALA 688 N 1.92 0.39 -0.52 5.18 0.00 0.70 0.40 119.26 127.33 3c1c h ALA 688 Ca -0.00 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.80 3c1c h ALA 688 Cb 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3c1c h ALA 688 CO 0.01 0.06 0.20 0.28 0.00 0.00 0.00 179.25 179.80 3c1c h VAL 689 N 0.31 0.85 -0.01 0.00 2.07 -1.11 -1.05 116.25 117.32 3c1c h VAL 689 Ca 0.09 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3c1c h VAL 689 Cb 0.30 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3c1c h VAL 689 CO 0.00 0.07 -0.01 0.24 0.02 0.00 0.00 177.57 177.90 3c1c h MET 690 N 0.40 -0.01 -0.81 1.57 2.86 -0.93 -1.60 114.93 116.40 3c1c h MET 690 Ca 0.24 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.03 3c1c h MET 690 Cb 0.24 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.81 3c1c h MET 690 CO -0.23 -0.01 0.39 0.00 1.06 0.00 0.00 176.91 178.12 3c1c h ALA 691 N 0.99 1.20 -0.28 6.32 0.00 0.26 0.34 119.26 128.09 3c1c h ALA 691 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3c1c h ALA 691 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3c1c h ALA 691 CO -0.01 -0.14 0.01 -0.07 0.00 0.00 0.00 179.25 179.04 3c1c h LEU 692 N 0.55 0.38 -0.02 0.00 3.38 -0.31 -2.48 115.31 116.81 3c1c h LEU 692 Ca 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 3c1c h LEU 692 Cb 0.65 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3c1c h LEU 692 CO -0.38 0.44 -0.08 -0.61 0.09 0.00 0.00 178.44 177.90 3c1c h GLN 693 N 0.41 0.10 -0.99 1.13 4.15 -0.08 -1.25 115.11 118.58 3c1c h GLN 693 Ca 0.09 -0.07 0.18 0.00 0.77 0.00 0.00 58.65 59.62 3c1c h GLN 693 Cb 0.25 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 27.86 3c1c h GLN 693 CO 0.01 0.70 0.61 0.93 -1.93 0.00 0.00 178.83 179.15 3c1c h GLU 694 N -0.49 0.71 0.16 1.69 4.39 -1.11 -0.49 114.58 119.45 3c1c h GLU 694 Ca -0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3c1c h GLU 694 Cb 0.71 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3c1c h GLU 694 CO 0.02 0.47 -0.08 0.00 -1.16 0.00 0.00 179.01 178.26 3c1c h ALA 695 N 1.63 -0.22 -0.17 3.43 0.00 -1.42 -1.69 119.26 120.82 3c1c h ALA 695 Ca 0.55 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3c1c h ALA 695 Cb 0.90 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3c1c h ALA 695 CO -0.33 -0.33 -0.12 0.77 0.00 0.00 0.00 179.25 179.24 3c1c h SER 696 N -0.80 -0.37 -0.17 0.00 0.02 -0.68 0.18 113.55 111.73 3c1c h SER 696 Ca -0.02 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3c1c h SER 696 Cb 0.53 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3c1c h SER 696 CO 0.04 -0.15 0.09 -0.33 -1.14 0.00 0.00 176.83 175.34 3c1c h GLU 697 N -0.12 0.25 -0.98 3.45 5.08 -1.22 0.17 114.58 121.22 3c1c h GLU 697 Ca 0.10 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.61 3c1c h GLU 697 Cb 0.27 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 3c1c h GLU 697 CO -0.24 0.26 0.58 0.00 -1.00 0.00 0.00 179.01 178.61 3c1c h ALA 698 N 0.98 1.60 -0.03 3.43 0.00 -0.67 0.35 119.26 124.92 3c1c h ALA 698 Ca 0.06 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 3c1c h ALA 698 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3c1c h ALA 698 CO -0.01 -0.05 -0.71 -0.92 0.00 0.00 0.00 179.25 177.56 3c1c h TYR 699 N 0.75 0.78 -0.43 0.00 3.20 -0.09 -2.33 116.97 118.85 3c1c h TYR 699 Ca 0.56 -0.40 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3c1c h TYR 699 Cb 0.84 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3c1c h TYR 699 CO -0.02 1.22 0.00 -0.07 -1.64 0.00 0.00 178.16 177.65 3c1c h LEU 700 N 0.12 0.74 0.16 2.82 3.38 0.25 -0.65 115.31 122.13 3c1c h LEU 700 Ca -0.08 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3c1c h LEU 700 Cb 1.39 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3c1c h LEU 700 CO 0.14 0.86 -0.08 0.58 0.09 0.00 0.00 178.44 180.04 3c1c h VAL 701 N 0.59 0.89 -0.25 1.22 2.07 -0.42 -0.40 116.25 119.95 3c1c h VAL 701 Ca 0.12 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.50 3c1c h VAL 701 Cb 0.48 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3c1c h VAL 701 CO 0.02 0.05 0.19 0.00 0.02 0.00 0.00 177.57 177.85 3c1c h ALA 702 N 0.51 2.19 0.26 1.67 0.00 -1.36 -2.69 119.26 119.85 3c1c h ALA 702 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3c1c h ALA 702 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3c1c h ALA 702 CO 0.04 -0.32 -0.13 1.25 0.00 0.00 0.00 179.25 180.09 3c1c h LEU 703 N 0.00 -0.30 -1.56 0.00 5.85 -0.35 -3.24 115.31 115.71 3c1c h LEU 703 Ca 0.12 -0.20 0.36 0.00 0.84 0.00 0.00 57.88 59.00 3c1c h LEU 703 Cb 0.49 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 3c1c h LEU 703 CO -0.00 0.20 0.83 -0.26 -0.34 0.00 0.00 178.44 178.86 3c1c h PHE 704 N -0.96 0.42 0.81 1.25 0.05 -0.77 -0.32 116.94 117.43 3c1c h PHE 704 Ca -0.04 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.73 3c1c h PHE 704 Cb 0.48 -0.11 0.01 0.00 2.00 0.00 0.00 35.95 38.32 3c1c h PHE 704 CO 0.05 -0.05 -0.39 0.93 -0.18 0.00 0.00 178.31 178.67 3c1c h GLU 705 N 0.17 -1.05 -0.68 1.51 5.08 -1.55 0.45 114.58 118.51 3c1c h GLU 705 Ca 0.69 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 59.27 3c1c h GLU 705 Cb 2.20 0.24 -0.12 0.00 0.50 0.00 0.00 28.75 31.57 3c1c h GLU 705 CO -0.26 -0.70 -0.03 -0.44 -1.00 0.00 0.00 179.01 176.59 3c1c h ASP 706 N -1.16 -0.36 -0.07 1.42 3.32 -1.15 0.60 116.42 119.02 3c1c h ASP 706 Ca -0.11 0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3c1c h ASP 706 Cb 0.84 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3c1c h ASP 706 CO 0.18 -0.16 -0.35 0.74 -1.72 0.00 0.00 179.24 177.94 3c1c h THR 707 N 0.09 0.25 -0.38 0.35 2.02 -0.99 -0.71 112.91 113.54 3c1c h THR 707 Ca 0.36 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.65 3c1c h THR 707 Cb 0.60 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3c1c h THR 707 CO -0.61 0.00 0.33 -1.13 0.37 0.00 0.00 175.52 174.47 3c1c h ASN 708 N -0.46 0.00 0.10 4.18 -1.24 0.18 -0.56 115.58 117.77 3c1c h ASN 708 Ca 0.07 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 3c1c h ASN 708 Cb 0.58 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.63 3c1c h ASN 708 CO -0.33 0.00 -0.05 -0.07 -1.29 0.00 0.00 177.43 175.70 3c1c h LEU 709 N 0.00 -0.11 -0.37 0.34 3.38 0.43 -2.94 115.31 116.04 3c1c h LEU 709 Ca 0.18 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3c1c h LEU 709 Cb 0.83 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 3c1c h LEU 709 CO -0.00 0.47 -0.45 0.00 0.09 0.00 0.00 178.44 178.55 3c1c h ALA 710 N -0.03 -0.51 -0.46 1.53 0.00 0.04 0.17 119.26 120.00 3c1c h ALA 710 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3c1c h ALA 710 Cb 0.57 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 3c1c h ALA 710 CO 0.02 -0.90 -0.54 0.00 0.00 0.00 0.00 179.25 177.83 3c1c h ALA 711 N 0.31 -0.71 -0.98 0.00 0.00 -1.40 0.49 119.26 116.98 3c1c h ALA 711 Ca 0.12 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.22 3c1c h ALA 711 Cb 0.59 1.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.40 3c1c h ALA 711 CO -0.55 -1.02 0.58 0.82 0.00 0.00 0.00 179.25 179.08 3c1c h ILE 712 N -0.36 0.74 0.00 0.00 2.04 -1.05 0.93 117.51 119.81 3c1c h ILE 712 Ca 0.09 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3c1c h ILE 712 Cb 0.58 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3c1c h ILE 712 CO -0.62 0.14 0.00 -0.74 0.00 0.00 0.00 178.15 176.93 3c1c h HIS 713 N 0.78 0.00 -0.52 1.37 2.76 0.15 0.17 115.15 119.86 3c1c h HIS 713 Ca 0.55 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.59 3c1c h HIS 713 Cb 0.79 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.67 3c1c h HIS 713 CO -0.02 0.00 0.11 0.00 -1.30 0.00 0.00 177.93 176.72 3c1c n ALA 714 N -1.79 4.00 -3.87 5.26 0.00 0.32 -4.93 120.51 119.50 3c1c n ALA 714 Ca -0.01 -2.44 -0.26 0.00 0.00 0.00 0.00 53.44 50.74 3c1c n ALA 714 Cb 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.53 3c1c n ALA 714 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3c1c n LYS 715 N -0.37 -4.44 -4.28 0.00 5.02 0.58 -4.97 118.16 109.69 3c1c n LYS 715 Ca 0.33 0.53 -0.15 0.00 -2.02 0.00 0.00 58.31 57.00 3c1c n LYS 715 Cb 1.17 -5.06 -0.10 0.00 -0.02 0.00 0.00 35.03 31.02 3c1c n LYS 715 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3c1c s ARG 716 N -6.37 1.32 0.00 1.97 0.52 -1.07 -5.01 118.95 110.31 3c1c s ARG 716 Ca 0.22 -1.70 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 3c1c s ARG 716 Cb -0.11 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.19 3c1c s ARG 716 CO 0.85 -0.28 0.58 1.33 0.02 0.00 0.00 175.30 177.80 3c1c n VAL 717 N -0.39 0.27 -4.04 3.52 0.24 -1.26 -3.28 118.33 113.38 3c1c n VAL 717 Ca -0.01 -0.29 -0.32 0.00 -2.04 0.00 0.00 64.34 61.69 3c1c n VAL 717 Cb 0.66 0.97 -0.15 0.00 -1.47 0.00 0.00 33.84 33.85 3c1c n VAL 717 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3c1c s THR 718 N -0.27 2.04 0.07 3.34 2.01 -1.26 -5.04 115.64 116.53 3c1c s THR 718 Ca 0.00 -1.54 -0.31 0.00 0.31 0.00 0.00 61.69 60.16 3c1c s THR 718 Cb 0.00 -2.17 -0.08 0.00 0.01 0.00 0.00 72.50 70.26 3c1c s THR 718 CO 0.00 -0.03 1.61 0.27 -0.69 0.00 0.00 174.62 175.78 3c1c s ILE 719 N 1.16 3.08 0.27 1.82 -4.36 -1.26 -4.94 121.20 116.98 3c1c s ILE 719 Ca -0.08 0.56 0.11 0.00 -0.26 0.00 0.00 60.65 60.98 3c1c s ILE 719 Cb -0.20 -3.36 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 3c1c s ILE 719 CO -0.05 0.00 -0.14 -0.04 0.24 0.00 0.00 174.94 174.94 3c1c s MET 720 N 2.46 1.86 0.34 0.37 -1.94 -1.26 -5.01 119.30 116.12 3c1c s MET 720 Ca 0.72 -1.66 0.15 0.00 -1.71 0.00 0.00 55.69 53.19 3c1c s MET 720 Cb -0.39 -1.89 1.11 0.00 2.01 0.00 0.00 34.83 35.67 3c1c s MET 720 CO 0.31 0.34 1.66 -1.35 -0.01 0.00 0.00 175.02 175.97 3c1c h PRO 721 N 2.18 0.30 0.00 2.03 0.11 -2.00 0.54 132.00 135.15 3c1c h PRO 721 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3c1c h PRO 721 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3c1c h PRO 721 CO 0.60 0.20 0.00 1.57 -0.21 0.00 0.00 178.00 180.15 3c1c h LYS 722 N 0.30 0.00 0.03 1.05 2.10 -1.98 -0.44 116.57 117.63 3c1c h LYS 722 Ca 0.74 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 59.21 3c1c h LYS 722 Cb 1.71 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.06 3c1c h LYS 722 CO -0.62 0.00 -0.71 -0.44 -2.00 0.00 0.00 179.45 175.68 3c1c h ASP 723 N 0.00 0.58 0.12 7.07 3.32 -0.26 -1.17 116.42 126.08 3c1c h ASP 723 Ca 0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 3c1c h ASP 723 Cb 0.20 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3c1c h ASP 723 CO 0.00 1.30 -0.12 0.40 -1.72 0.00 0.00 179.24 179.10 3c1c h ILE 724 N -0.07 1.07 0.24 0.35 2.04 -1.17 -2.01 117.51 117.96 3c1c h ILE 724 Ca -0.10 -0.41 -0.34 0.00 1.00 0.00 0.00 64.86 65.01 3c1c h ILE 724 Cb 1.44 1.22 0.03 0.00 -0.74 0.00 0.00 36.82 38.77 3c1c h ILE 724 CO 0.14 0.12 -1.54 1.56 0.00 0.00 0.00 178.15 178.42 3c1c h GLN 725 N 0.00 0.50 -0.41 2.37 4.20 -1.08 -3.01 115.11 117.68 3c1c h GLN 725 Ca -0.00 -0.86 -0.02 0.00 0.06 0.00 0.00 58.65 57.83 3c1c h GLN 725 Cb 0.21 0.32 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3c1c h GLN 725 CO 0.02 1.41 0.16 1.25 -0.67 0.00 0.00 178.83 181.00 3c1c h LEU 726 N 0.14 0.57 -0.45 1.46 5.85 -0.99 0.16 115.31 122.05 3c1c h LEU 726 Ca -0.28 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.36 3c1c h LEU 726 Cb 2.15 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.96 3c1c h LEU 726 CO 0.25 0.59 -0.03 0.00 -0.34 0.00 0.00 178.44 178.91 3c1c h ALA 727 N 1.01 0.39 -0.02 1.25 0.00 -1.46 0.14 119.26 120.56 3c1c h ALA 727 Ca 0.14 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3c1c h ALA 727 Cb 0.19 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3c1c h ALA 727 CO -0.01 -0.41 -0.62 0.00 0.00 0.00 0.00 179.25 178.21 3c1c h ARG 728 N 0.08 0.09 -0.40 0.00 3.08 -1.32 1.10 114.38 117.01 3c1c h ARG 728 Ca 0.22 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3c1c h ARG 728 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3c1c h ARG 728 CO -0.39 0.68 0.13 -0.09 -1.07 0.00 0.00 179.97 179.23 3c1c h ARG 729 N 0.07 0.62 -0.02 0.04 1.12 0.58 -0.30 114.38 116.48 3c1c h ARG 729 Ca -0.01 -0.13 -0.04 0.00 -1.11 0.00 0.00 59.98 58.69 3c1c h ARG 729 Cb 1.11 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.99 3c1c h ARG 729 CO 0.09 0.62 -0.15 0.82 -3.11 0.00 0.00 179.97 178.23 3c1c h ILE 730 N 0.50 1.52 -1.09 1.20 2.04 -0.57 -3.15 117.51 117.96 3c1c h ILE 730 Ca 0.13 -1.75 0.32 0.00 1.00 0.00 0.00 64.86 64.56 3c1c h ILE 730 Cb 0.26 2.61 -0.12 0.00 -0.74 0.00 0.00 36.82 38.83 3c1c h ILE 730 CO -0.00 0.47 0.68 0.03 0.00 0.00 0.00 178.15 179.33 3c1c h ARG 731 N -0.51 0.31 0.00 2.37 3.08 0.14 -3.44 114.38 116.33 3c1c h ARG 731 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3c1c h ARG 731 Cb 0.85 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3c1c h ARG 731 CO 0.03 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.55 3c1c n GLY 732 N -1.42 1.40 0.88 0.04 0.00 -0.36 -4.99 105.19 100.74 3c1c n GLY 732 Ca 0.30 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.39 3c1c n GLY 732 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3c1c n GLU 733 N -1.38 2.14 0.00 1.61 1.02 -0.27 -5.04 120.64 118.72 3c1c n GLU 733 Ca 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.46 3c1c n GLU 733 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3c1c n GLU 733 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20