#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3m s PRO 638 N 0.00 4.30 0.15 1.64 0.04 -1.26 -4.92 135.00 134.96 1p3m s PRO 638 Ca 0.00 2.26 -0.33 0.00 0.04 0.00 0.00 61.00 62.98 1p3m s PRO 638 Cb 0.00 -3.10 -0.17 0.00 0.04 0.00 0.00 34.50 31.27 1p3m s PRO 638 CO 0.00 -0.34 0.92 1.58 0.04 0.00 0.00 177.00 179.21 1p3m n HIS 639 N 1.81 0.57 -3.55 0.56 -0.00 -1.26 -5.00 115.22 108.36 1p3m n HIS 639 Ca 0.04 0.86 -0.12 0.00 0.46 0.00 0.00 57.72 58.96 1p3m n HIS 639 Cb 0.41 -2.13 -0.11 0.00 -0.12 0.00 0.00 29.99 28.04 1p3m n HIS 639 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1p3m s ARG 640 N -0.59 0.24 0.25 1.57 3.52 -1.26 -5.14 118.95 117.54 1p3m s ARG 640 Ca 0.73 0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 56.67 1p3m s ARG 640 Cb -0.96 -0.32 -0.09 0.00 -1.56 0.00 0.00 34.95 32.02 1p3m s ARG 640 CO 0.55 -0.44 1.26 0.71 -0.81 0.00 0.00 175.30 176.57 1p3m s TYR 641 N 2.47 3.27 0.65 5.12 4.12 -1.26 -5.02 117.35 126.70 1p3m s TYR 641 Ca 0.05 1.39 -0.14 0.00 0.02 0.00 0.00 57.07 58.39 1p3m s TYR 641 Cb -0.14 -3.55 -0.01 0.00 -1.52 0.00 0.00 41.96 36.75 1p3m s TYR 641 CO -0.12 -1.54 1.08 1.03 0.02 0.00 0.00 175.55 176.02 1p3m s ARG 642 N -0.90 2.98 0.15 -0.62 0.52 -1.26 -4.96 118.95 114.86 1p3m s ARG 642 Ca 0.51 1.23 -0.31 0.00 -0.52 0.00 0.00 55.73 56.64 1p3m s ARG 642 Cb -0.36 -1.98 -0.10 0.00 0.52 0.00 0.00 34.95 33.02 1p3m s ARG 642 CO 0.43 -1.09 1.71 -1.25 0.02 0.00 0.00 175.30 175.13 1p3m s PRO 643 N -4.29 4.16 0.00 3.54 0.04 -1.26 -2.24 135.00 134.94 1p3m s PRO 643 Ca 0.64 2.51 0.00 0.00 0.04 0.00 0.00 61.00 64.19 1p3m s PRO 643 Cb -0.17 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1p3m s PRO 643 CO 0.43 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1p3m n GLY 644 N 4.01 0.31 0.11 0.56 0.00 -1.26 -4.89 105.19 104.04 1p3m n GLY 644 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1p3m n GLY 644 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1p3m h THR 645 N 0.00 1.26 0.14 2.61 2.02 -1.82 -2.76 112.91 114.35 1p3m h THR 645 Ca 0.00 -2.87 -0.30 0.00 0.77 0.00 0.00 66.41 64.01 1p3m h THR 645 Cb 0.00 2.83 0.03 0.00 -1.74 0.00 0.00 68.15 69.26 1p3m h THR 645 CO 0.00 0.84 -1.28 0.58 0.37 0.00 0.00 175.52 176.03 1p3m h VAL 646 N 0.07 1.30 -0.37 3.16 2.07 -1.90 -2.99 116.25 117.59 1p3m h VAL 646 Ca -0.21 -2.55 0.06 0.00 0.82 0.00 0.00 66.70 64.82 1p3m h VAL 646 Cb 2.01 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 34.48 1p3m h VAL 646 CO 0.18 0.77 0.04 0.00 0.02 0.00 0.00 177.57 178.58 1p3m h ALA 647 N 0.31 0.38 -0.73 1.67 0.00 -1.92 0.11 119.26 119.07 1p3m h ALA 647 Ca -0.19 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1p3m h ALA 647 Cb 1.95 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 1p3m h ALA 647 CO 0.24 -0.36 0.47 -0.07 0.00 0.00 0.00 179.25 179.53 1p3m h LEU 648 N 0.16 0.86 -1.22 0.00 3.38 -1.56 0.39 115.31 117.31 1p3m h LEU 648 Ca 0.18 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1p3m h LEU 648 Cb 0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1p3m h LEU 648 CO -0.26 0.64 0.53 0.03 0.09 0.00 0.00 178.44 179.46 1p3m h ARG 649 N 0.99 1.04 -0.30 1.13 3.08 -1.09 0.14 114.38 119.38 1p3m h ARG 649 Ca 0.27 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.07 1p3m h ARG 649 Cb -0.08 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.73 1p3m h ARG 649 CO -0.05 0.69 -0.53 0.93 -1.07 0.00 0.00 179.97 179.94 1p3m h GLU 650 N 1.07 0.89 -0.07 0.04 5.08 0.39 0.56 114.58 122.54 1p3m h GLU 650 Ca 0.29 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1p3m h GLU 650 Cb -0.12 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1p3m h GLU 650 CO -0.06 1.20 0.04 0.82 -1.00 0.00 0.00 179.01 180.01 1p3m h ILE 651 N 0.69 1.02 -0.62 3.13 2.04 0.32 0.38 117.51 124.46 1p3m h ILE 651 Ca 0.02 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1p3m h ILE 651 Cb 1.14 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1p3m h ILE 651 CO 0.12 0.02 0.25 0.03 0.00 0.00 0.00 178.15 178.57 1p3m h ARG 652 N 0.09 0.90 0.60 2.37 3.08 -0.58 0.19 114.38 121.03 1p3m h ARG 652 Ca 0.02 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1p3m h ARG 652 Cb -0.01 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.89 1p3m h ARG 652 CO -0.01 0.73 -0.29 -0.09 -1.07 0.00 0.00 179.97 179.25 1p3m h ARG 653 N 0.89 -0.78 -0.28 0.04 2.43 0.80 -2.92 114.38 114.56 1p3m h ARG 653 Ca 0.21 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1p3m h ARG 653 Cb 0.16 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1p3m h ARG 653 CO -0.02 -0.52 -0.05 1.88 -1.51 0.00 0.00 179.97 179.75 1p3m h TYR 654 N -1.04 0.45 0.00 2.20 -1.99 -0.25 -1.40 116.97 114.95 1p3m h TYR 654 Ca -0.08 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1p3m h TYR 654 Cb 0.62 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.22 1p3m h TYR 654 CO 0.03 0.48 0.00 1.04 -0.00 0.00 0.00 178.16 179.72 1p3m n GLN 655 N -4.28 0.07 0.03 4.88 6.02 0.65 -2.23 117.38 122.52 1p3m n GLN 655 Ca 0.01 0.33 0.11 0.00 -0.01 0.00 0.00 57.00 57.43 1p3m n GLN 655 Cb 0.26 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 1p3m n GLN 655 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1p3m n LYS 656 N -1.76 0.34 -1.98 -1.09 4.81 -0.53 -4.97 118.16 112.98 1p3m n LYS 656 Ca 0.03 -0.02 -0.05 0.00 -0.87 0.00 0.00 58.31 57.40 1p3m n LYS 656 Cb 0.18 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1p3m n LYS 656 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1p3m n SER 657 N -2.03 1.36 0.00 3.14 3.41 -0.95 -5.06 113.62 113.49 1p3m n SER 657 Ca 0.01 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1p3m n SER 657 Cb 0.46 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1p3m n SER 657 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1p3m n THR 658 N -0.77 0.00 -2.47 6.66 -2.24 -1.26 -5.01 114.28 109.19 1p3m n THR 658 Ca -0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 1p3m n THR 658 Cb 0.13 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 1p3m n THR 658 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1p3m s GLU 659 N 0.00 3.83 0.30 -0.78 4.04 -1.26 -4.96 118.70 119.88 1p3m s GLU 659 Ca 0.00 1.49 -0.29 0.00 0.04 0.00 0.00 54.97 56.20 1p3m s GLU 659 Cb 0.00 -2.24 -0.11 0.00 0.02 0.00 0.00 34.13 31.80 1p3m s GLU 659 CO 0.00 -0.42 1.51 -0.51 -1.84 0.00 0.00 175.26 174.00 1p3m s LEU 660 N -3.24 4.36 -0.14 1.83 1.43 -1.26 -4.92 118.68 116.73 1p3m s LEU 660 Ca 0.65 2.88 0.16 0.00 -1.03 0.00 0.00 54.13 56.79 1p3m s LEU 660 Cb -0.20 -3.64 0.71 0.00 0.03 0.00 0.00 46.19 43.09 1p3m s LEU 660 CO 0.25 -0.82 1.61 0.18 0.23 0.00 0.00 176.35 177.79 1p3m n LEU 661 N 1.72 4.82 -4.21 1.79 4.77 -1.26 -4.91 117.00 119.72 1p3m n LEU 661 Ca 0.06 -2.44 -0.27 0.00 -0.03 0.00 0.00 56.01 53.33 1p3m n LEU 661 Cb 0.39 -0.60 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 1p3m n LEU 661 CO 0.63 0.71 -0.52 -0.63 -1.33 0.00 0.00 177.39 176.24 1p3m s ILE 662 N -2.10 1.59 -0.02 -0.08 1.01 -1.26 -5.07 121.20 115.27 1p3m s ILE 662 Ca 0.49 -0.88 -0.36 0.00 0.00 0.00 0.00 60.65 59.90 1p3m s ILE 662 Cb 0.34 -1.33 -0.15 0.00 0.01 0.00 0.00 42.46 41.33 1p3m s ILE 662 CO 0.21 0.44 1.61 0.54 0.00 0.00 0.00 174.94 177.74 1p3m n ARG 663 N 2.55 1.61 -0.10 2.79 5.12 -1.26 -4.87 116.66 122.50 1p3m n ARG 663 Ca -0.15 0.59 -0.09 0.00 -1.93 0.00 0.00 57.85 56.27 1p3m n ARG 663 Cb 0.53 -2.31 -0.01 0.00 -1.16 0.00 0.00 32.46 29.51 1p3m n ARG 663 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1p3m h LYS 664 N 6.55 0.46 0.08 5.56 1.57 -1.97 -2.79 116.57 126.01 1p3m h LYS 664 Ca -0.47 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1p3m h LYS 664 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1p3m h LYS 664 CO 0.89 0.31 -0.04 1.25 -0.57 0.00 0.00 179.45 181.28 1p3m h LEU 665 N 0.47 -0.09 -1.56 2.94 5.85 -2.00 -1.78 115.31 119.14 1p3m h LEU 665 Ca 0.13 -0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.79 1p3m h LEU 665 Cb -0.05 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1p3m h LEU 665 CO -0.03 0.15 0.50 -0.65 -0.34 0.00 0.00 178.44 178.07 1p3m h PRO 666 N -0.33 0.43 -0.27 5.25 0.11 -1.96 -1.10 132.00 134.14 1p3m h PRO 666 Ca -0.01 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1p3m h PRO 666 Cb 0.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1p3m h PRO 666 CO 0.02 0.29 -0.19 0.35 -0.21 0.00 0.00 178.00 178.25 1p3m h PHE 667 N 0.45 0.71 -0.98 0.65 3.57 -1.21 -2.38 116.94 117.75 1p3m h PHE 667 Ca 0.37 -0.20 0.10 0.00 3.53 0.00 0.00 57.97 61.76 1p3m h PHE 667 Cb 0.79 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 1p3m h PHE 667 CO -0.00 0.89 0.62 0.37 -2.23 0.00 0.00 178.31 177.96 1p3m h GLN 668 N 0.34 1.01 0.61 1.11 4.15 -0.34 -1.01 115.11 120.98 1p3m h GLN 668 Ca 0.05 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1p3m h GLN 668 Cb 0.73 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 28.20 1p3m h GLN 668 CO 0.05 0.67 -0.29 0.00 -1.93 0.00 0.00 178.83 177.33 1p3m h ARG 669 N 1.04 -0.78 -0.93 1.69 3.08 -1.20 0.62 114.38 117.91 1p3m h ARG 669 Ca 0.46 0.05 0.25 0.00 0.07 0.00 0.00 59.98 60.81 1p3m h ARG 669 Cb 0.34 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.44 1p3m h ARG 669 CO -0.23 -0.47 0.42 1.25 -1.07 0.00 0.00 179.97 179.87 1p3m h LEU 670 N -0.99 0.32 -0.26 3.04 5.85 -1.09 0.81 115.31 122.99 1p3m h LEU 670 Ca -0.08 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1p3m h LEU 670 Cb 0.67 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1p3m h LEU 670 CO 0.14 -0.06 0.09 0.58 -0.34 0.00 0.00 178.44 178.84 1p3m h VAL 671 N 0.35 1.19 -0.16 1.05 2.07 -0.89 -0.97 116.25 118.89 1p3m h VAL 671 Ca 0.61 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1p3m h VAL 671 Cb 1.24 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1p3m h VAL 671 CO -0.58 0.19 -0.25 0.03 0.02 0.00 0.00 177.57 176.99 1p3m h ARG 672 N 0.25 0.30 0.33 1.57 3.08 0.21 0.23 114.38 120.35 1p3m h ARG 672 Ca 0.08 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1p3m h ARG 672 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1p3m h ARG 672 CO -0.00 0.53 -0.16 1.49 -1.07 0.00 0.00 179.97 180.76 1p3m h GLU 673 N 0.27 -0.43 0.27 0.04 4.81 0.72 -1.17 114.58 119.09 1p3m h GLU 673 Ca 0.04 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1p3m h GLU 673 Cb 0.59 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1p3m h GLU 673 CO 0.04 -0.13 -0.17 0.82 -0.73 0.00 0.00 179.01 178.84 1p3m h ILE 674 N -0.73 0.64 -0.53 2.32 2.04 -1.12 -0.34 117.51 119.80 1p3m h ILE 674 Ca -0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.92 1p3m h ILE 674 Cb 0.50 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 37.12 1p3m h ILE 674 CO 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.18 1p3m h ALA 675 N 0.29 0.45 -0.64 1.87 0.00 -0.98 -2.35 119.26 117.90 1p3m h ALA 675 Ca -0.03 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1p3m h ALA 675 Cb 0.36 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1p3m h ALA 675 CO 0.02 -0.41 0.23 0.37 0.00 0.00 0.00 179.25 179.46 1p3m h GLN 676 N 0.07 0.97 -1.08 0.00 4.15 -0.95 -1.49 115.11 116.78 1p3m h GLN 676 Ca 0.27 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1p3m h GLN 676 Cb 0.41 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1p3m h GLN 676 CO -0.48 0.84 0.00 -0.25 -1.93 0.00 0.00 178.83 177.00 1p3m n ASP 677 N -4.40 2.38 0.00 -0.69 8.00 -0.16 -2.26 116.55 119.43 1p3m n ASP 677 Ca 0.04 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.77 1p3m n ASP 677 Cb 0.19 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1p3m n ASP 677 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1p3m n PHE 678 N 0.48 0.00 -3.51 1.24 0.99 -0.67 -5.04 117.46 110.95 1p3m n PHE 678 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1p3m n PHE 678 Cb 0.41 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.84 1p3m n PHE 678 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1p3m s LYS 679 N -1.04 0.31 0.93 -1.08 2.36 -0.65 -5.12 119.74 115.44 1p3m s LYS 679 Ca 0.00 0.66 -0.14 0.00 -2.55 0.00 0.00 55.97 53.94 1p3m s LYS 679 Cb 0.00 0.26 0.16 0.00 -1.05 0.00 0.00 37.83 37.20 1p3m s LYS 679 CO 0.00 -0.09 1.23 0.95 1.55 0.00 0.00 175.35 178.99 1p3m s THR 680 N 1.92 1.96 -0.88 3.43 -4.23 -1.24 -3.95 115.64 112.65 1p3m s THR 680 Ca -0.05 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1p3m s THR 680 Cb -0.05 -2.91 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1p3m s THR 680 CO -0.16 0.00 0.64 0.47 -0.54 0.00 0.00 174.62 175.03 1p3m n ASP 681 N -3.71 -5.16 -4.26 3.99 9.92 -1.26 -4.99 116.55 111.07 1p3m n ASP 681 Ca 0.11 -0.90 -0.23 0.00 -0.53 0.00 0.00 54.79 53.24 1p3m n ASP 681 Cb 0.60 -2.22 -0.13 0.00 -0.64 0.00 0.00 41.12 38.73 1p3m n ASP 681 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1p3m s LEU 682 N -5.24 2.29 0.30 0.64 1.43 -1.26 -5.16 118.68 111.68 1p3m s LEU 682 Ca 0.09 -0.66 0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1p3m s LEU 682 Cb -0.04 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.30 1p3m s LEU 682 CO 0.89 0.04 -0.17 -0.13 0.23 0.00 0.00 176.35 177.21 1p3m s ARG 683 N -1.82 1.73 -0.05 1.70 0.52 -1.26 -5.08 118.95 114.69 1p3m s ARG 683 Ca 0.05 -1.81 0.01 0.00 -0.52 0.00 0.00 55.73 53.46 1p3m s ARG 683 Cb -0.10 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.63 1p3m s ARG 683 CO 0.04 0.28 -0.06 -0.06 0.02 0.00 0.00 175.30 175.51 1p3m s PHE 684 N -2.54 0.93 0.39 -0.53 0.40 -1.26 -5.11 117.98 110.27 1p3m s PHE 684 Ca 0.31 -0.30 -0.25 0.00 -0.60 0.00 0.00 56.93 56.08 1p3m s PHE 684 Cb -0.03 -0.78 -0.09 0.00 0.51 0.00 0.00 43.02 42.63 1p3m s PHE 684 CO 0.16 -0.23 1.16 -0.65 0.70 0.00 0.00 175.22 176.35 1p3m s GLN 685 N 0.93 4.11 0.33 0.44 -0.21 -1.26 -4.90 119.66 119.10 1p3m s GLN 685 Ca -0.11 1.81 0.02 0.00 0.02 0.00 0.00 55.36 57.11 1p3m s GLN 685 Cb -0.15 -2.70 0.60 0.00 1.00 0.00 0.00 33.01 31.76 1p3m s GLN 685 CO 0.00 -0.26 1.97 0.66 -2.12 0.00 0.00 175.29 175.54 1p3m h SER 686 N 2.71 0.80 0.09 5.90 4.64 -2.00 -1.27 113.55 124.43 1p3m h SER 686 Ca -0.49 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1p3m h SER 686 Cb 1.23 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1p3m h SER 686 CO 0.63 0.55 -0.08 0.77 -0.87 0.00 0.00 176.83 177.82 1p3m h SER 687 N 0.93 0.00 -0.20 4.97 4.64 -1.99 -1.85 113.55 120.04 1p3m h SER 687 Ca 0.30 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.54 1p3m h SER 687 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1p3m h SER 687 CO -0.09 0.08 -0.20 0.00 -0.87 0.00 0.00 176.83 175.76 1p3m h ALA 688 N 1.92 0.30 0.00 5.18 0.00 -1.60 0.03 119.26 125.08 1p3m h ALA 688 Ca -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1p3m h ALA 688 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1p3m h ALA 688 CO 0.01 0.23 -0.19 0.28 0.00 0.00 0.00 179.25 179.58 1p3m h VAL 689 N 0.17 1.11 0.07 0.00 2.07 -1.26 -1.83 116.25 116.59 1p3m h VAL 689 Ca 0.03 -0.66 -0.28 0.00 0.82 0.00 0.00 66.70 66.61 1p3m h VAL 689 Cb 0.74 1.36 0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1p3m h VAL 689 CO 0.05 0.19 -1.16 0.24 0.02 0.00 0.00 177.57 176.91 1p3m h MET 690 N 0.00 0.62 -0.62 1.57 2.86 -1.12 -2.52 114.93 115.71 1p3m h MET 690 Ca -0.00 -0.76 -0.03 0.00 -2.06 0.00 0.00 59.70 56.85 1p3m h MET 690 Cb 0.35 0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1p3m h MET 690 CO 0.02 1.33 0.27 0.00 1.06 0.00 0.00 176.91 179.60 1p3m h ALA 691 N 0.38 1.30 -0.26 6.32 0.00 -0.67 0.13 119.26 126.45 1p3m h ALA 691 Ca -0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1p3m h ALA 691 Cb 1.82 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1p3m h ALA 691 CO 0.22 0.53 -0.02 -0.07 0.00 0.00 0.00 179.25 179.91 1p3m h LEU 692 N 0.89 0.46 -0.40 0.00 3.38 -1.36 -1.03 115.31 117.26 1p3m h LEU 692 Ca 0.21 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1p3m h LEU 692 Cb 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1p3m h LEU 692 CO -0.02 0.68 0.22 -0.61 0.09 0.00 0.00 178.44 178.80 1p3m h GLN 693 N 0.24 0.55 -0.53 1.13 4.15 -0.95 0.20 115.11 119.89 1p3m h GLN 693 Ca 0.07 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.49 1p3m h GLN 693 Cb 0.45 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 1p3m h GLN 693 CO 0.02 0.44 0.24 0.93 -1.93 0.00 0.00 178.83 178.53 1p3m h GLU 694 N 0.52 0.45 -0.44 1.69 4.39 -0.69 -0.87 114.58 119.63 1p3m h GLU 694 Ca 0.14 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1p3m h GLU 694 Cb 0.05 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1p3m h GLU 694 CO -0.02 0.30 0.12 0.00 -1.16 0.00 0.00 179.01 178.25 1p3m h ALA 695 N 1.32 0.57 -0.49 3.43 0.00 -0.60 -2.33 119.26 121.15 1p3m h ALA 695 Ca 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1p3m h ALA 695 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1p3m h ALA 695 CO -0.20 0.24 0.10 0.77 0.00 0.00 0.00 179.25 180.15 1p3m h SER 696 N 0.57 0.77 0.54 0.00 0.02 -0.19 -1.47 113.55 113.79 1p3m h SER 696 Ca 0.14 -0.25 -0.20 0.00 -0.84 0.00 0.00 61.79 60.64 1p3m h SER 696 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1p3m h SER 696 CO -0.00 0.82 -0.87 -0.33 -1.14 0.00 0.00 176.83 175.31 1p3m h GLU 697 N 0.69 0.22 -0.49 3.45 5.08 -1.18 -1.44 114.58 120.90 1p3m h GLU 697 Ca 0.15 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1p3m h GLU 697 Cb 0.37 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1p3m h GLU 697 CO 0.01 0.96 0.24 0.00 -1.00 0.00 0.00 179.01 179.22 1p3m h ALA 698 N 0.96 1.51 0.03 3.43 0.00 -1.31 0.28 119.26 124.16 1p3m h ALA 698 Ca -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1p3m h ALA 698 Cb 1.49 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1p3m h ALA 698 CO 0.13 0.40 -0.01 -0.92 0.00 0.00 0.00 179.25 178.85 1p3m h TYR 699 N 0.68 -0.04 -0.75 0.00 3.20 -1.07 -2.90 116.97 116.11 1p3m h TYR 699 Ca 0.17 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1p3m h TYR 699 Cb 0.06 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1p3m h TYR 699 CO 0.00 0.52 0.36 -0.07 -1.64 0.00 0.00 178.16 177.34 1p3m h LEU 700 N -0.63 0.98 -0.35 2.82 3.38 -0.80 0.89 115.31 121.61 1p3m h LEU 700 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1p3m h LEU 700 Cb 0.58 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1p3m h LEU 700 CO 0.01 0.84 0.23 0.58 0.09 0.00 0.00 178.44 180.18 1p3m h VAL 701 N 1.05 1.09 -0.30 1.22 2.07 -0.53 0.13 116.25 120.97 1p3m h VAL 701 Ca 0.26 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 1p3m h VAL 701 Cb 0.12 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1p3m h VAL 701 CO -0.03 0.09 -0.17 0.00 0.02 0.00 0.00 177.57 177.48 1p3m h ALA 702 N 1.12 1.16 -0.22 1.67 0.00 -1.27 -2.17 119.26 119.54 1p3m h ALA 702 Ca 0.13 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1p3m h ALA 702 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1p3m h ALA 702 CO -0.03 0.53 -0.42 1.25 0.00 0.00 0.00 179.25 180.58 1p3m h LEU 703 N 0.48 0.56 -1.05 0.00 5.85 -0.10 -2.84 115.31 118.21 1p3m h LEU 703 Ca 0.08 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 1p3m h LEU 703 Cb 0.57 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1p3m h LEU 703 CO 0.04 0.91 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.65 1p3m h PHE 704 N 0.43 0.55 0.31 1.25 0.05 -0.30 -0.79 116.94 118.45 1p3m h PHE 704 Ca 0.03 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 61.72 1p3m h PHE 704 Cb 0.92 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.73 1p3m h PHE 704 CO 0.03 0.63 -0.15 0.93 -0.18 0.00 0.00 178.31 179.58 1p3m h GLU 705 N 0.47 -0.41 -0.41 1.51 5.08 -1.20 0.19 114.58 119.81 1p3m h GLU 705 Ca 0.08 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1p3m h GLU 705 Cb 0.52 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1p3m h GLU 705 CO 0.03 -0.22 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.33 1p3m h ASP 706 N -0.50 -0.29 -0.36 1.42 3.32 -1.27 -0.51 116.42 118.23 1p3m h ASP 706 Ca -0.04 0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1p3m h ASP 706 Cb 0.38 0.22 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 1p3m h ASP 706 CO 0.07 -0.10 -0.08 0.74 -1.72 0.00 0.00 179.24 178.16 1p3m h THR 707 N 0.05 0.66 -0.80 0.35 2.02 -0.94 -0.28 112.91 113.97 1p3m h THR 707 Ca 0.20 -0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.48 1p3m h THR 707 Cb 0.30 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 1p3m h THR 707 CO -0.39 0.00 0.44 -1.13 0.37 0.00 0.00 175.52 174.81 1p3m h ASN 708 N 0.01 0.61 -0.17 4.18 -1.24 0.88 -0.11 115.58 119.75 1p3m h ASN 708 Ca 0.17 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 1p3m h ASN 708 Cb 0.26 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.24 1p3m h ASN 708 CO -0.36 0.34 0.02 -0.07 -1.29 0.00 0.00 177.43 176.08 1p3m h LEU 709 N 0.73 0.27 -0.80 0.34 3.38 -0.45 -1.02 115.31 117.75 1p3m h LEU 709 Ca 0.39 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1p3m h LEU 709 Cb 0.39 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 1p3m h LEU 709 CO -0.26 0.46 0.44 0.00 0.09 0.00 0.00 178.44 179.17 1p3m h ALA 711 N 1.46 -0.42 -0.97 0.00 0.00 -0.92 -2.58 119.26 115.83 1p3m h ALA 711 Ca 0.39 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.35 1p3m h ALA 711 Cb 0.40 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1p3m h ALA 711 CO -0.27 -0.64 0.61 0.82 0.00 0.00 0.00 179.25 179.78 1p3m h ILE 712 N -0.62 0.68 -0.71 0.00 2.04 -0.49 0.54 117.51 118.95 1p3m h ILE 712 Ca -0.04 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1p3m h ILE 712 Cb 0.45 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1p3m h ILE 712 CO 0.07 0.11 0.46 -0.74 0.00 0.00 0.00 178.15 178.05 1p3m h HIS 713 N 0.58 0.75 -0.20 1.37 2.76 -0.00 0.34 115.15 120.75 1p3m h HIS 713 Ca 0.53 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1p3m h HIS 713 Cb 1.07 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.78 1p3m h HIS 713 CO -0.00 0.40 0.00 0.00 -1.30 0.00 0.00 177.93 177.03 1p3m n ALA 714 N -2.45 2.65 -2.92 5.26 0.00 0.19 -4.89 120.51 118.35 1p3m n ALA 714 Ca 0.10 -0.45 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 1p3m n ALA 714 Cb 0.21 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.69 1p3m n ALA 714 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3m n LYS 715 N 0.16 -4.35 -4.57 0.00 5.02 0.12 -5.00 118.16 109.54 1p3m n LYS 715 Ca 0.08 0.85 -0.26 0.00 -2.02 0.00 0.00 58.31 56.95 1p3m n LYS 715 Cb 0.32 -5.55 -0.10 0.00 -0.02 0.00 0.00 35.03 29.68 1p3m n LYS 715 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3m s ARG 716 N -5.57 1.89 0.00 1.97 0.52 -1.04 -5.01 118.95 111.72 1p3m s ARG 716 Ca 0.26 -2.11 0.00 0.00 -0.52 0.00 0.00 55.73 53.37 1p3m s ARG 716 Cb -0.12 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.17 1p3m s ARG 716 CO 0.32 -0.22 0.00 1.33 0.02 0.00 0.00 175.30 176.75 1p3m n VAL 717 N -0.91 0.00 -3.29 3.52 0.24 -1.26 -3.50 118.33 113.12 1p3m n VAL 717 Ca -0.07 -0.23 -0.43 0.00 -2.04 0.00 0.00 64.34 61.57 1p3m n VAL 717 Cb 0.67 0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 33.82 1p3m n VAL 717 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1p3m s ILE 718 N -0.68 5.06 0.48 1.34 1.01 -1.26 -5.00 121.20 122.15 1p3m s ILE 718 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 1p3m s ILE 718 Cb 0.00 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.34 1p3m s ILE 718 CO 0.00 -0.46 1.21 0.27 0.00 0.00 0.00 174.94 175.96 1p3m s ILE 719 N 2.21 2.89 0.17 2.92 -4.36 -1.26 -4.99 121.20 118.78 1p3m s ILE 719 Ca 0.13 0.66 0.02 0.00 -0.26 0.00 0.00 60.65 61.20 1p3m s ILE 719 Cb -0.17 -3.33 -0.05 0.00 1.25 0.00 0.00 42.46 40.16 1p3m s ILE 719 CO 0.14 -0.01 -0.00 -0.04 0.24 0.00 0.00 174.94 175.26 1p3m s MET 720 N -2.76 1.10 0.29 0.37 -1.94 -1.26 -5.02 119.30 110.08 1p3m s MET 720 Ca 0.66 -1.53 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1p3m s MET 720 Cb -0.31 -0.28 0.70 0.00 2.01 0.00 0.00 34.83 36.95 1p3m s MET 720 CO 0.37 -0.12 1.71 -1.35 -0.01 0.00 0.00 175.02 175.62 1p3m h PRO 721 N 2.70 0.42 -0.68 2.03 0.11 -2.00 0.18 132.00 134.76 1p3m h PRO 721 Ca -0.37 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.82 1p3m h PRO 721 Cb 1.20 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1p3m h PRO 721 CO 0.63 0.28 0.45 1.57 -0.21 0.00 0.00 178.00 180.72 1p3m h LYS 722 N 0.43 0.52 -0.01 1.05 2.10 -1.98 0.33 116.57 119.02 1p3m h LYS 722 Ca 0.55 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 59.17 1p3m h LYS 722 Cb 1.01 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1p3m h LYS 722 CO -0.51 0.34 -0.00 -0.44 -2.00 0.00 0.00 179.45 176.85 1p3m h ASP 723 N 0.54 0.01 -0.85 7.07 3.32 -1.02 -0.19 116.42 125.31 1p3m h ASP 723 Ca 0.31 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 57.07 1p3m h ASP 723 Cb 0.51 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 1p3m h ASP 723 CO -0.10 0.36 0.53 0.40 -1.72 0.00 0.00 179.24 178.71 1p3m h ILE 724 N -0.34 1.05 -0.68 0.35 2.04 -0.91 -1.14 117.51 117.89 1p3m h ILE 724 Ca 0.00 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 1p3m h ILE 724 Cb 0.35 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1p3m h ILE 724 CO 0.00 0.18 0.15 1.56 0.00 0.00 0.00 178.15 180.04 1p3m h GLN 725 N 0.97 1.08 -0.48 2.37 4.20 -0.23 -1.03 115.11 121.99 1p3m h GLN 725 Ca 0.37 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 1p3m h GLN 725 Cb 0.15 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1p3m h GLN 725 CO -0.16 0.96 -0.23 1.25 -0.67 0.00 0.00 178.83 179.98 1p3m h LEU 726 N 1.02 1.03 -0.21 1.46 5.85 -0.33 -1.42 115.31 122.70 1p3m h LEU 726 Ca 0.21 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1p3m h LEU 726 Cb 0.38 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1p3m h LEU 726 CO 0.00 1.20 0.10 0.00 -0.34 0.00 0.00 178.44 179.40 1p3m h ALA 727 N 0.87 0.28 0.00 1.25 0.00 -0.98 -1.59 119.26 119.09 1p3m h ALA 727 Ca 0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1p3m h ALA 727 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1p3m h ALA 727 CO 0.07 -0.16 -0.22 0.00 0.00 0.00 0.00 179.25 178.94 1p3m h ARG 728 N 0.21 0.00 -0.11 0.00 3.08 -1.07 -0.01 114.38 116.48 1p3m h ARG 728 Ca 0.07 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1p3m h ARG 728 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1p3m h ARG 728 CO -0.01 0.22 -0.26 -0.09 -1.07 0.00 0.00 179.97 178.76 1p3m h ARG 729 N 0.00 0.37 -0.19 0.04 9.65 -0.73 0.29 114.38 123.81 1p3m h ARG 729 Ca -0.00 -0.25 -0.12 0.00 -1.10 0.00 0.00 59.98 58.51 1p3m h ARG 729 Cb 0.47 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1p3m h ARG 729 CO 0.03 0.86 -0.38 0.82 2.80 0.00 0.00 179.97 184.10 1p3m h ILE 730 N -0.07 1.30 0.00 1.20 2.04 -1.01 -2.56 117.51 118.41 1p3m h ILE 730 Ca -0.00 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1p3m h ILE 730 Cb 0.87 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1p3m h ILE 730 CO 0.06 0.46 -0.14 0.03 0.00 0.00 0.00 178.15 178.56 1p3m h ARG 731 N 0.36 0.00 -0.15 2.37 3.08 -0.96 -3.46 114.38 115.62 1p3m h ARG 731 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1p3m h ARG 731 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1p3m h ARG 731 CO 0.07 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.52 1p3m n GLY 732 N -0.92 1.19 0.00 0.04 0.00 -0.89 -5.01 105.19 99.60 1p3m n GLY 732 Ca -0.02 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1p3m n GLY 732 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1p3m n GLU 733 N -0.37 1.00 -2.03 1.61 1.02 0.04 -4.73 120.64 117.18 1p3m n GLU 733 Ca 0.00 -0.08 -0.04 0.00 -0.02 0.00 0.00 57.16 57.02 1p3m n GLU 733 Cb 0.11 -1.22 0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1p3m n GLU 733 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1p3m n ARG 734 N -1.76 0.85 0.00 3.49 1.85 -1.20 -5.00 116.66 114.88 1p3m n ARG 734 Ca -0.01 -1.18 0.00 0.00 -1.00 0.00 0.00 57.85 55.66 1p3m n ARG 734 Cb 0.27 0.42 0.00 0.00 -1.05 0.00 0.00 32.46 32.10 1p3m n ARG 734 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62