#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rlf h SER 647 N 0.00 0.86 -3.09 1.61 0.87 -2.13 -3.41 113.55 108.26 1rlf h SER 647 Ca 0.00 0.03 -0.64 0.00 -1.23 0.00 0.00 61.79 59.95 1rlf h SER 647 Cb 0.00 -0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 61.73 1rlf h SER 647 CO 0.00 0.52 -0.57 -0.94 -0.53 0.00 0.00 176.83 175.31 1rlf s SER 648 N -5.75 5.77 0.09 6.23 1.04 -1.26 -5.11 113.70 114.72 1rlf s SER 648 Ca -0.12 0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.49 1rlf s SER 648 Cb 0.20 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.64 1rlf s SER 648 CO 0.80 0.19 -0.23 -1.81 0.98 0.00 0.00 173.24 173.17 1rlf s ASP 649 N -2.27 2.76 0.07 7.02 1.01 -1.26 -5.11 116.67 118.89 1rlf s ASP 649 Ca 0.29 -0.66 0.04 0.00 0.71 0.00 0.00 52.55 52.93 1rlf s ASP 649 Cb -0.12 -0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.60 1rlf s ASP 649 CO 0.22 0.12 -0.11 0.00 0.21 0.00 0.00 175.17 175.61 1rlf s ARG 651 N -1.96 1.37 0.14 0.00 0.52 0.11 -4.86 118.95 114.26 1rlf s ARG 651 Ca -0.03 -1.42 0.08 0.00 -0.52 0.00 0.00 55.73 53.84 1rlf s ARG 651 Cb -0.08 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 1rlf s ARG 651 CO 0.01 0.35 -0.12 0.96 0.02 0.00 0.00 175.30 176.51 1rlf s ILE 652 N -1.70 3.13 0.12 1.52 -4.36 -1.26 -0.51 121.20 118.14 1rlf s ILE 652 Ca 0.17 -1.51 0.08 0.00 -0.26 0.00 0.00 60.65 59.13 1rlf s ILE 652 Cb -0.08 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 1rlf s ILE 652 CO 0.08 0.01 -0.20 -0.51 0.24 0.00 0.00 174.94 174.56 1rlf s ILE 653 N -1.41 1.71 -0.11 8.37 2.07 -0.96 -1.58 121.20 129.30 1rlf s ILE 653 Ca 0.22 -1.65 -0.04 0.00 -1.41 0.00 0.00 60.65 57.77 1rlf s ILE 653 Cb -0.10 -1.63 0.06 0.00 0.13 0.00 0.00 42.46 40.92 1rlf s ILE 653 CO 0.13 -0.15 0.18 -0.60 -1.91 0.00 0.00 174.94 172.59 1rlf s ARG 654 N -2.19 0.07 0.27 3.50 3.52 0.63 -1.71 118.95 123.04 1rlf s ARG 654 Ca 0.09 0.54 0.10 0.00 -0.13 0.00 0.00 55.73 56.32 1rlf s ARG 654 Cb -0.09 -0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 32.87 1rlf s ARG 654 CO 0.05 -0.35 -0.15 0.08 -0.81 0.00 0.00 175.30 174.12 1rlf s VAL 655 N 2.31 2.13 -0.25 7.11 1.01 0.60 0.17 120.40 133.49 1rlf s VAL 655 Ca 0.03 -2.28 -0.04 0.00 0.00 0.00 0.00 61.98 59.69 1rlf s VAL 655 Cb -0.13 -2.32 0.09 0.00 0.00 0.00 0.00 36.38 34.02 1rlf s VAL 655 CO -0.07 -0.40 0.13 -1.10 0.00 0.00 0.00 175.10 173.66 1rlf s GLN 656 N -3.59 0.16 -0.21 2.72 -0.21 0.11 0.29 119.66 118.92 1rlf s GLN 656 Ca 0.29 -0.34 -0.15 0.00 0.02 0.00 0.00 55.36 55.18 1rlf s GLN 656 Cb -0.01 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.61 1rlf s GLN 656 CO 0.13 -0.89 0.37 1.41 -2.12 0.00 0.00 175.29 174.18 1rlf s MET 657 N 2.14 4.15 -0.41 2.91 1.75 -1.26 0.13 119.30 128.70 1rlf s MET 657 Ca 0.07 0.14 0.05 0.00 -1.25 0.00 0.00 55.69 54.69 1rlf s MET 657 Cb -0.16 -3.54 0.59 0.00 2.84 0.00 0.00 34.83 34.56 1rlf s MET 657 CO -0.27 -0.04 1.76 -1.91 -0.65 0.00 0.00 175.02 173.91 1rlf n GLU 658 N 4.51 2.18 -4.03 4.11 2.13 -0.89 -2.32 120.64 126.32 1rlf n GLU 658 Ca -0.09 -3.13 -0.10 0.00 0.66 0.00 0.00 57.16 54.50 1rlf n GLU 658 Cb 0.51 -2.07 -0.08 0.00 0.27 0.00 0.00 31.44 30.07 1rlf n GLU 658 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1rlf s LEU 659 N -3.34 1.23 0.00 4.31 2.96 -1.26 -4.68 118.68 117.90 1rlf s LEU 659 Ca 0.53 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1rlf s LEU 659 Cb 0.46 0.87 0.00 0.00 0.50 0.00 0.00 46.19 48.02 1rlf s LEU 659 CO 0.06 -0.84 0.00 0.61 -1.32 0.00 0.00 176.35 174.86 1rlf n GLY 660 N -0.18 3.15 0.28 7.98 0.00 -1.26 -3.69 105.19 111.47 1rlf n GLY 660 Ca -0.06 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.22 1rlf n GLY 660 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1rlf h GLU 661 N 0.00 0.26 0.00 1.61 4.11 -1.91 -2.75 114.58 115.90 1rlf h GLU 661 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1rlf h GLU 661 Cb 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1rlf h GLU 661 CO 0.00 0.19 -1.45 -0.25 0.07 0.00 0.00 179.01 177.57 1rlf n ASP 662 N -4.49 2.79 -1.21 3.06 8.00 -1.26 -5.08 116.55 118.37 1rlf n ASP 662 Ca -0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1rlf n ASP 662 Cb 0.09 1.40 -0.06 0.00 -0.02 0.00 0.00 41.12 42.52 1rlf n ASP 662 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rlf n GLY 663 N 1.98 -2.44 1.55 0.44 0.00 -0.42 -4.77 105.19 101.53 1rlf n GLY 663 Ca -0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1rlf n GLY 663 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rlf n SER 664 N -3.88 -0.37 0.00 1.61 3.41 -0.98 -3.65 113.62 109.76 1rlf n SER 664 Ca -0.06 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 1rlf n SER 664 Cb 0.49 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 1rlf n SER 664 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1rlf n VAL 665 N -0.30 0.00 -3.96 -3.33 0.24 -1.04 -3.17 118.33 106.77 1rlf n VAL 665 Ca 0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 1rlf n VAL 665 Cb 0.29 0.92 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 1rlf n VAL 665 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 1rlf s TYR 666 N 0.00 0.56 0.00 6.34 1.13 -1.26 -4.59 117.35 119.54 1rlf s TYR 666 Ca 0.00 -0.99 0.00 0.00 -1.41 0.00 0.00 57.07 54.67 1rlf s TYR 666 Cb 0.00 0.34 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 1rlf s TYR 666 CO 0.00 -1.29 0.00 1.17 -2.51 0.00 0.00 175.55 172.92 1rlf n LYS 667 N -0.53 0.00 -4.46 -3.49 0.00 0.85 -4.34 118.16 106.21 1rlf n LYS 667 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.00 1rlf n LYS 667 Cb 0.61 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.47 1rlf n LYS 667 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1rlf s SER 668 N 0.00 2.39 0.02 3.14 0.15 -1.26 0.22 113.70 118.36 1rlf s SER 668 Ca 0.00 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 1rlf s SER 668 Cb 0.00 -1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 63.22 1rlf s SER 668 CO 0.00 0.01 0.00 -0.51 1.20 0.00 0.00 173.24 173.95 1rlf s ILE 669 N 0.98 0.11 0.05 6.45 2.07 -0.70 -5.01 121.20 125.16 1rlf s ILE 669 Ca -0.07 -0.89 -0.30 0.00 -1.41 0.00 0.00 60.65 57.98 1rlf s ILE 669 Cb -0.15 -0.32 -0.05 0.00 0.13 0.00 0.00 42.46 42.07 1rlf s ILE 669 CO -0.01 -0.49 1.06 -0.22 -1.91 0.00 0.00 174.94 173.37 1rlf s LEU 670 N -1.49 4.40 0.00 8.50 1.98 -1.26 -2.27 118.68 128.54 1rlf s LEU 670 Ca -0.15 1.83 0.07 0.00 -2.89 0.00 0.00 54.13 52.99 1rlf s LEU 670 Cb -0.09 -3.58 -0.03 0.00 0.66 0.00 0.00 46.19 43.15 1rlf s LEU 670 CO -0.01 -0.30 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.27 1rlf s VAL 671 N 0.76 2.62 0.61 1.68 1.01 0.33 -4.92 120.40 122.50 1rlf s VAL 671 Ca 0.53 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1rlf s VAL 671 Cb -0.25 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.18 1rlf s VAL 671 CO 0.29 0.46 0.85 0.28 0.00 0.00 0.00 175.10 176.99 1rlf s THR 672 N -0.79 2.36 0.48 3.92 -1.32 -1.26 0.05 115.64 119.08 1rlf s THR 672 Ca 0.12 -0.74 0.14 0.00 -1.21 0.00 0.00 61.69 60.00 1rlf s THR 672 Cb -0.10 -2.62 0.28 0.00 -1.51 0.00 0.00 72.50 68.55 1rlf s THR 672 CO 0.02 0.00 2.10 -1.28 -2.21 0.00 0.00 174.62 173.25 1rlf h SER 673 N -0.10 0.18 -0.03 8.08 0.87 -1.79 -2.99 113.55 117.77 1rlf h SER 673 Ca -0.37 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1rlf h SER 673 Cb 1.28 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1rlf h SER 673 CO 0.44 0.13 -0.04 0.00 -0.53 0.00 0.00 176.83 176.82 1rlf n GLN 674 N -4.50 1.49 -3.46 2.24 6.02 -1.26 -4.65 117.38 113.25 1rlf n GLN 674 Ca 0.01 -2.68 -0.38 0.00 -0.01 0.00 0.00 57.00 53.94 1rlf n GLN 674 Cb 0.14 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 29.77 1rlf n GLN 674 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1rlf s ASP 675 N -2.81 6.27 -1.03 1.08 -1.08 -1.13 -4.95 116.67 113.03 1rlf s ASP 675 Ca 0.34 0.31 -0.13 0.00 -0.52 0.00 0.00 52.55 52.55 1rlf s ASP 675 Cb 0.30 -2.19 0.21 0.00 -1.46 0.00 0.00 42.92 39.78 1rlf s ASP 675 CO 0.03 -0.08 1.10 -0.54 0.52 0.00 0.00 175.17 176.20 1rlf s LYS 676 N 1.55 3.92 -0.17 4.34 3.01 -1.26 -4.58 119.74 126.55 1rlf s LYS 676 Ca 0.14 -2.63 0.16 0.00 -1.01 0.00 0.00 55.97 52.63 1rlf s LYS 676 Cb -0.15 -4.71 0.68 0.00 -1.01 0.00 0.00 37.83 32.65 1rlf s LYS 676 CO 0.08 -1.47 1.60 0.00 0.51 0.00 0.00 175.35 176.07 1rlf n ALA 677 N 4.37 3.29 0.29 5.17 0.00 -1.26 -4.36 120.51 128.00 1rlf n ALA 677 Ca 0.24 -1.87 0.17 0.00 0.00 0.00 0.00 53.44 51.98 1rlf n ALA 677 Cb 0.44 -0.93 0.85 0.00 0.00 0.00 0.00 19.45 19.80 1rlf n ALA 677 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1rlf h PRO 678 N 3.33 0.00 0.00 0.00 0.11 -1.93 0.09 132.00 133.61 1rlf h PRO 678 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rlf h PRO 678 Cb 1.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.71 1rlf h PRO 678 CO 0.31 0.00 -0.38 0.43 -0.21 0.00 0.00 178.00 178.15 1rlf n SER 679 N -2.74 0.60 0.30 -2.05 7.64 -1.26 -3.71 113.62 112.41 1rlf n SER 679 Ca -0.01 0.21 0.16 0.00 1.01 0.00 0.00 58.87 60.24 1rlf n SER 679 Cb 0.13 -0.12 0.97 0.00 -1.01 0.00 0.00 64.21 64.17 1rlf n SER 679 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1rlf h VAL 680 N 0.00 0.43 -0.88 0.44 3.04 -1.27 -0.78 116.25 117.23 1rlf h VAL 680 Ca 0.00 -0.02 0.05 0.00 -1.01 0.00 0.00 66.70 65.72 1rlf h VAL 680 Cb 0.67 1.01 -0.05 0.00 -2.01 0.00 0.00 31.29 30.91 1rlf h VAL 680 CO 0.00 0.00 0.57 0.40 -1.01 0.00 0.00 177.57 177.54 1rlf h ILE 681 N 0.00 1.10 -0.55 3.17 2.04 -1.73 0.45 117.51 121.99 1rlf h ILE 681 Ca -0.00 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1rlf h ILE 681 Cb 0.01 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 1rlf h ILE 681 CO 0.00 0.19 0.32 -1.28 0.00 0.00 0.00 178.15 177.38 1rlf h SER 682 N 1.04 0.67 0.50 1.72 0.87 -1.40 0.68 113.55 117.63 1rlf h SER 682 Ca 0.36 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.76 1rlf h SER 682 Cb 0.11 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1rlf h SER 682 CO -0.12 0.54 -0.45 0.08 -0.53 0.00 0.00 176.83 176.35 1rlf h ARG 683 N 0.74 0.00 -0.05 2.24 0.11 -1.48 -1.90 114.38 114.03 1rlf h ARG 683 Ca 0.20 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.15 1rlf h ARG 683 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1rlf h ARG 683 CO -0.04 0.45 -0.53 0.28 0.10 0.00 0.00 179.97 180.24 1rlf h VAL 684 N 0.00 1.37 0.09 0.08 2.07 0.41 -2.85 116.25 117.42 1rlf h VAL 684 Ca -0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1rlf h VAL 684 Cb 0.83 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1rlf h VAL 684 CO 0.06 0.53 -0.17 -0.07 0.02 0.00 0.00 177.57 177.94 1rlf h LEU 685 N 0.11 -0.49 -0.78 2.57 -0.00 0.12 2.78 115.31 119.62 1rlf h LEU 685 Ca 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1rlf h LEU 685 Cb 0.98 0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 1rlf h LEU 685 CO 0.08 -0.20 0.52 0.11 -0.00 0.00 0.00 178.44 178.95 1rlf h LYS 686 N -0.28 1.03 -0.31 1.13 1.57 -1.62 2.43 116.57 120.52 1rlf h LYS 686 Ca -0.01 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1rlf h LYS 686 Cb 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1rlf h LYS 686 CO -0.06 0.68 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.13 1rlf h LYS 687 N 1.06 0.55 -0.33 3.15 3.64 -1.25 -2.93 116.57 120.46 1rlf h LYS 687 Ca 0.29 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1rlf h LYS 687 Cb -0.12 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 1rlf h LYS 687 CO -0.06 0.68 0.01 0.27 -2.27 0.00 0.00 179.45 178.08 1rlf n ASN 688 N -4.18 3.56 -0.02 4.20 2.04 0.93 -4.54 115.26 117.25 1rlf n ASN 688 Ca 0.01 -3.25 0.15 0.00 -0.44 0.00 0.00 54.58 51.05 1rlf n ASN 688 Cb 0.35 -0.59 0.86 0.00 -2.53 0.00 0.00 39.78 37.87 1rlf n ASN 688 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1rlf n ASN 689 N -0.68 0.08 -0.02 0.53 0.23 0.81 -0.79 115.26 115.42 1rlf n ASN 689 Ca 0.27 -0.73 0.01 0.00 -0.53 0.00 0.00 54.58 53.60 1rlf n ASN 689 Cb 0.98 -0.09 -0.13 0.00 -2.08 0.00 0.00 39.78 38.46 1rlf n ASN 689 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1rlf n ARG 690 N -1.04 0.65 -0.00 -3.83 3.00 -1.26 -4.67 116.66 109.51 1rlf n ARG 690 Ca 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1rlf n ARG 690 Cb 0.17 -1.63 -0.00 0.00 0.00 0.00 0.00 32.46 31.00 1rlf n ARG 690 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1rlf n ASP 691 N -2.62 3.26 0.00 6.15 8.00 -1.20 -4.94 116.55 125.20 1rlf n ASP 691 Ca -0.14 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1rlf n ASP 691 Cb 0.83 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1rlf n ASP 691 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rlf n SER 692 N -2.61 0.00 -4.93 -2.24 7.64 0.03 -4.65 113.62 106.86 1rlf n SER 692 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.62 1rlf n SER 692 Cb 0.51 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1rlf n SER 692 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rlf s ALA 693 N -3.14 3.39 0.00 -0.43 0.00 -1.21 -1.30 121.76 119.07 1rlf s ALA 693 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1rlf s ALA 693 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1rlf s ALA 693 CO 0.00 -0.86 0.00 0.28 0.00 0.00 0.00 175.76 175.18 1rlf n VAL 694 N -2.57 0.00 -3.66 0.00 0.31 -1.26 -3.25 118.33 107.90 1rlf n VAL 694 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.99 1rlf n VAL 694 Cb 0.58 -0.53 -0.12 0.00 -0.91 0.00 0.00 33.84 32.86 1rlf n VAL 694 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rlf s ALA 695 N -1.71 3.20 -2.02 3.52 0.00 -1.26 -4.67 121.76 118.83 1rlf s ALA 695 Ca 0.00 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.40 1rlf s ALA 695 Cb 0.00 -2.44 0.36 0.00 0.00 0.00 0.00 23.12 21.04 1rlf s ALA 695 CO 0.00 -1.24 1.24 -1.13 0.00 0.00 0.00 175.76 174.63 1rlf n SER 696 N 4.94 0.47 -4.24 0.00 3.41 -1.26 -4.58 113.62 112.36 1rlf n SER 696 Ca -0.13 -1.85 -0.34 0.00 -0.26 0.00 0.00 58.87 56.29 1rlf n SER 696 Cb 0.46 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1rlf n SER 696 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rlf n GLU 697 N -0.31 1.69 -4.33 4.33 1.02 -1.26 -4.82 120.64 116.96 1rlf n GLU 697 Ca 0.06 -2.31 -0.20 0.00 -0.02 0.00 0.00 57.16 54.69 1rlf n GLU 697 Cb 0.09 -3.44 -0.08 0.00 -0.02 0.00 0.00 31.44 27.99 1rlf n GLU 697 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1rlf s PHE 698 N 8.48 1.68 -0.20 -0.32 -0.12 -1.26 -0.13 117.98 126.11 1rlf s PHE 698 Ca 0.63 -1.53 -0.04 0.00 -0.05 0.00 0.00 56.93 55.95 1rlf s PHE 698 Cb 0.05 -0.81 -0.02 0.00 -0.63 0.00 0.00 43.02 41.62 1rlf s PHE 698 CO 0.12 -0.69 -0.03 -2.00 -0.05 0.00 0.00 175.22 172.58 1rlf s GLU 699 N -3.62 3.52 -0.10 1.99 2.12 -0.01 -4.59 118.70 118.01 1rlf s GLU 699 Ca 0.37 -0.57 -0.04 0.00 0.36 0.00 0.00 54.97 55.08 1rlf s GLU 699 Cb 0.03 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1rlf s GLU 699 CO 0.22 -0.04 0.06 -0.51 -0.54 0.00 0.00 175.26 174.46 1rlf s LEU 700 N 1.10 3.94 -0.12 2.70 1.43 -1.26 -1.72 118.68 124.74 1rlf s LEU 700 Ca 0.02 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1rlf s LEU 700 Cb -0.15 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1rlf s LEU 700 CO 0.01 0.39 -0.16 -0.69 0.23 0.00 0.00 176.35 176.13 1rlf s VAL 701 N -0.95 1.57 0.13 -1.59 1.01 -0.90 -1.31 120.40 118.36 1rlf s VAL 701 Ca 0.14 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1rlf s VAL 701 Cb -0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1rlf s VAL 701 CO 0.03 0.46 0.31 -1.58 0.00 0.00 0.00 175.10 174.32 1rlf s GLN 702 N 1.09 3.52 0.00 2.72 0.74 0.64 -1.92 119.66 126.44 1rlf s GLN 702 Ca -0.04 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.06 1rlf s GLN 702 Cb -0.14 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.04 1rlf s GLN 702 CO -0.04 0.51 0.00 -0.11 -0.55 0.00 0.00 175.29 175.10 1rlf n LEU 703 N -0.08 -1.32 -0.26 3.68 7.94 0.83 -2.79 117.00 125.00 1rlf n LEU 703 Ca -0.04 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.82 1rlf n LEU 703 Cb 0.52 0.67 0.07 0.00 0.53 0.00 0.00 43.42 45.20 1rlf n LEU 703 CO 0.50 0.00 1.17 -0.07 -1.11 0.00 0.00 177.39 177.88 1rlf h LEU 704 N 0.00 0.80 -1.61 -1.96 -0.00 -1.93 -0.97 115.31 109.64 1rlf h LEU 704 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 1rlf h LEU 704 Cb 0.00 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.47 1rlf h LEU 704 CO 0.00 0.57 -0.04 1.55 -0.00 0.00 0.00 178.44 180.52 1rlf h PRO 705 N 0.94 0.00 -2.22 1.13 0.14 -1.99 -3.48 132.00 126.53 1rlf h PRO 705 Ca 0.27 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.41 1rlf h PRO 705 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.08 1rlf h PRO 705 CO -0.08 0.04 0.00 0.41 0.14 0.00 0.00 178.00 178.51 1rlf n GLY 706 N -0.12 -2.13 1.46 1.56 0.00 -0.37 -5.07 105.19 100.52 1rlf n GLY 706 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1rlf n GLY 706 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rlf n ASP 707 N 0.00 0.00 -4.67 1.61 -0.08 -1.18 -5.05 116.55 107.18 1rlf n ASP 707 Ca 0.00 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.93 1rlf n ASP 707 Cb 0.00 0.14 -0.10 0.00 2.34 0.00 0.00 41.12 43.50 1rlf n ASP 707 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1rlf s ARG 708 N -1.73 3.07 -0.14 -0.67 6.06 -1.12 -4.99 118.95 119.44 1rlf s ARG 708 Ca 0.00 -0.41 -0.02 0.00 -2.50 0.00 0.00 55.73 52.80 1rlf s ARG 708 Cb 0.00 -2.82 -0.03 0.00 0.06 0.00 0.00 34.95 32.16 1rlf s ARG 708 CO 0.00 0.65 -0.05 -1.83 -2.50 0.00 0.00 175.30 171.57 1rlf s GLU 709 N -0.75 3.46 -0.67 5.12 -1.05 -1.26 0.23 118.70 123.79 1rlf s GLU 709 Ca 0.12 -0.54 0.03 0.00 -0.15 0.00 0.00 54.97 54.43 1rlf s GLU 709 Cb -0.12 -2.82 0.36 0.00 -0.44 0.00 0.00 34.13 31.11 1rlf s GLU 709 CO 0.02 0.33 1.28 -0.11 0.95 0.00 0.00 175.26 177.74 1rlf n LEU 710 N 3.25 5.46 -4.93 1.83 -0.00 -0.43 -4.78 117.00 117.41 1rlf n LEU 710 Ca -0.18 -5.42 -0.30 0.00 -0.00 0.00 0.00 56.01 50.12 1rlf n LEU 710 Cb 0.53 -0.71 0.17 0.00 -0.00 0.00 0.00 43.42 43.40 1rlf n LEU 710 CO 0.32 2.20 0.86 0.42 -0.00 0.00 0.00 177.39 181.18 1rlf s THR 711 N -4.78 2.00 -0.05 1.96 -4.23 -1.22 -4.37 115.64 104.96 1rlf s THR 711 Ca 0.47 -0.01 0.31 0.00 -1.18 0.00 0.00 61.69 61.28 1rlf s THR 711 Cb 0.31 -2.99 0.37 0.00 1.34 0.00 0.00 72.50 71.52 1rlf s THR 711 CO -0.18 0.00 1.90 0.16 -0.54 0.00 0.00 174.62 175.96 1rlf h ILE 712 N -1.53 0.00 0.00 2.99 -0.00 -1.95 -3.10 117.51 113.92 1rlf h ILE 712 Ca -0.44 -0.53 0.00 0.00 -0.00 0.00 0.00 64.86 63.89 1rlf h ILE 712 Cb 1.25 1.49 0.00 0.00 -0.00 0.00 0.00 36.82 39.56 1rlf h ILE 712 CO 0.42 0.00 0.02 -0.65 -0.00 0.00 0.00 178.15 177.95 1rlf h PRO 713 N 0.00 0.00 -7.36 0.16 0.11 -1.96 -3.42 132.00 119.53 1rlf h PRO 713 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1rlf h PRO 713 Cb 0.55 0.00 0.10 0.00 0.11 0.00 0.00 31.00 31.76 1rlf h PRO 713 CO 0.00 0.00 0.36 -1.01 -0.21 0.00 0.00 178.00 177.14 1rlf s HIS 714 N -3.93 3.01 0.72 0.65 3.76 -1.17 -5.05 115.29 113.27 1rlf s HIS 714 Ca -0.04 1.35 -0.05 0.00 -0.15 0.00 0.00 55.06 56.18 1rlf s HIS 714 Cb 0.10 -2.95 0.10 0.00 1.11 0.00 0.00 32.58 30.94 1rlf s HIS 714 CO 0.33 -1.41 1.01 -1.12 -0.85 0.00 0.00 174.74 172.70 1rlf s SER 715 N -3.80 4.46 0.12 1.40 0.01 -1.26 -5.00 113.70 109.62 1rlf s SER 715 Ca 0.59 0.04 -0.23 0.00 1.31 0.00 0.00 55.95 57.66 1rlf s SER 715 Cb -0.14 -0.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.51 1rlf s SER 715 CO 0.55 -1.80 1.67 0.00 0.41 0.00 0.00 173.24 174.08 1rlf h ALA 716 N -0.62 -0.11 0.00 1.44 0.00 -1.97 -3.16 119.26 114.85 1rlf h ALA 716 Ca -0.41 0.03 -0.42 0.00 0.00 0.00 0.00 54.91 54.11 1rlf h ALA 716 Cb 1.28 0.27 0.05 0.00 0.00 0.00 0.00 17.79 19.39 1rlf h ALA 716 CO 0.48 -0.61 1.95 -1.71 0.00 0.00 0.00 179.25 179.36 1rlf n ASN 717 N -5.28 2.44 -0.12 0.00 4.05 -1.26 -4.37 115.26 110.72 1rlf n ASN 717 Ca -0.04 -2.39 -0.24 0.00 0.45 0.00 0.00 54.58 52.35 1rlf n ASN 717 Cb 0.20 -0.87 -0.11 0.00 1.23 0.00 0.00 39.78 40.23 1rlf n ASN 717 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1rlf n VAL 718 N 5.43 1.54 0.01 3.44 3.14 -1.20 -4.46 118.33 126.23 1rlf n VAL 718 Ca 0.37 -0.43 -0.05 0.00 -2.96 0.00 0.00 64.34 61.26 1rlf n VAL 718 Cb 0.24 -1.73 0.15 0.00 -1.06 0.00 0.00 33.84 31.44 1rlf n VAL 718 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1rlf h PHE 719 N -0.57 0.59 -0.60 1.45 0.04 -1.84 2.19 116.94 118.20 1rlf h PHE 719 Ca -0.60 -0.15 0.17 0.00 2.80 0.00 0.00 57.97 60.19 1rlf h PHE 719 Cb 1.71 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 39.71 1rlf h PHE 719 CO -0.01 0.79 0.66 -0.92 -0.60 0.00 0.00 178.31 178.22 1rlf h TYR 720 N 0.43 0.00 0.00 -0.55 3.20 -1.82 1.63 116.97 119.85 1rlf h TYR 720 Ca 0.05 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1rlf h TYR 720 Cb 0.80 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1rlf h TYR 720 CO 0.03 0.00 -1.55 0.00 -1.64 0.00 0.00 178.16 175.00 1rlf n ALA 721 N -2.33 2.00 0.01 1.82 0.00 -0.43 -4.65 120.51 116.93 1rlf n ALA 721 Ca 0.12 -0.46 0.04 0.00 0.00 0.00 0.00 53.44 53.14 1rlf n ALA 721 Cb 0.87 -0.09 -0.11 0.00 0.00 0.00 0.00 19.45 20.13 1rlf n ALA 721 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1rlf n MET 722 N -2.15 0.64 -0.51 0.00 2.81 0.73 -4.32 117.12 114.33 1rlf n MET 722 Ca -0.10 0.04 -0.02 0.00 -1.81 0.00 0.00 57.70 55.82 1rlf n MET 722 Cb 0.59 -1.68 0.17 0.00 -0.71 0.00 0.00 33.22 31.59 1rlf n MET 722 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1rlf n ASP 723 N -2.65 3.39 0.15 7.83 5.68 0.53 -4.48 116.55 127.01 1rlf n ASP 723 Ca -0.10 -2.58 -0.17 0.00 -0.50 0.00 0.00 54.79 51.44 1rlf n ASP 723 Cb 0.76 -0.62 -0.10 0.00 -1.14 0.00 0.00 41.12 40.03 1rlf n ASP 723 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1rlf h GLY 724 N 3.85 -1.14 0.00 6.12 0.00 -1.75 -3.43 103.07 106.72 1rlf h GLY 724 Ca 0.11 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1rlf h GLY 724 CO 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1rlf n ALA 725 N -2.90 0.00 -1.64 3.60 0.00 -1.26 -5.05 120.51 113.25 1rlf n ALA 725 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1rlf n ALA 725 Cb 0.42 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.91 1rlf n ALA 725 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rlf s SER 726 N -1.00 5.56 -0.29 0.00 1.04 -1.26 -4.80 113.70 112.95 1rlf s SER 726 Ca 0.00 1.56 -0.01 0.00 0.48 0.00 0.00 55.95 57.98 1rlf s SER 726 Cb 0.00 -2.47 0.05 0.00 0.10 0.00 0.00 66.02 63.69 1rlf s SER 726 CO 0.00 -1.32 -0.03 -1.00 0.98 0.00 0.00 173.24 171.87 1rlf s HIS 727 N -3.08 3.23 -0.09 5.02 0.09 -0.61 -4.92 115.29 114.92 1rlf s HIS 727 Ca 0.57 -1.88 0.04 0.00 -0.00 0.00 0.00 55.06 53.80 1rlf s HIS 727 Cb -0.13 -2.07 -0.01 0.00 -0.00 0.00 0.00 32.58 30.37 1rlf s HIS 727 CO 0.55 -0.80 -0.23 -0.51 -0.00 0.00 0.00 174.74 173.75 1rlf s ASP 728 N 1.25 3.22 0.12 1.40 1.01 -1.25 0.23 116.67 122.64 1rlf s ASP 728 Ca -0.05 -0.51 -0.03 0.00 0.71 0.00 0.00 52.55 52.68 1rlf s ASP 728 Cb -0.19 -1.26 -0.03 0.00 1.01 0.00 0.00 42.92 42.45 1rlf s ASP 728 CO -0.02 0.19 0.08 -0.36 0.21 0.00 0.00 175.17 175.27 1rlf s PHE 729 N 0.17 0.68 -0.04 4.23 0.40 0.46 -0.12 117.98 123.76 1rlf s PHE 729 Ca -0.13 -1.09 0.02 0.00 -0.60 0.00 0.00 56.93 55.13 1rlf s PHE 729 Cb -0.16 -0.37 0.01 0.00 0.51 0.00 0.00 43.02 43.01 1rlf s PHE 729 CO 0.07 -0.52 -0.07 -0.48 0.70 0.00 0.00 175.22 174.92 1rlf s LEU 730 N -3.00 1.57 -0.12 -0.37 0.05 -0.81 0.05 118.68 116.06 1rlf s LEU 730 Ca 0.18 -0.16 -0.02 0.00 0.05 0.00 0.00 54.13 54.18 1rlf s LEU 730 Cb 0.07 -0.50 -0.03 0.00 -2.05 0.00 0.00 46.19 43.68 1rlf s LEU 730 CO -0.02 0.00 -0.02 -0.76 -0.55 0.00 0.00 176.35 175.00 1rlf s LEU 731 N 0.56 3.38 -0.31 1.48 1.43 0.35 -2.11 118.68 123.46 1rlf s LEU 731 Ca -0.08 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1rlf s LEU 731 Cb -0.12 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.39 1rlf s LEU 731 CO 0.01 0.28 0.01 -0.13 0.23 0.00 0.00 176.35 176.75 1rlf s ARG 732 N -0.29 2.13 -0.13 1.70 0.52 -0.70 -2.10 118.95 120.08 1rlf s ARG 732 Ca 0.05 -1.49 -0.29 0.00 -0.52 0.00 0.00 55.73 53.48 1rlf s ARG 732 Cb -0.12 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1rlf s ARG 732 CO 0.02 -0.74 1.59 -0.65 0.02 0.00 0.00 175.30 175.55 1rlf s GLN 733 N 1.12 4.04 0.21 3.54 -0.21 -1.26 -0.83 119.66 126.27 1rlf s GLN 733 Ca -0.01 1.93 -0.01 0.00 0.02 0.00 0.00 55.36 57.29 1rlf s GLN 733 Cb -0.20 -3.98 0.18 0.00 1.00 0.00 0.00 33.01 30.01 1rlf s GLN 733 CO -0.04 -1.00 1.54 -0.09 -2.12 0.00 0.00 175.29 173.58 1rlf h ARG 734 N 9.85 0.47 0.00 2.91 2.43 -0.85 -3.47 114.38 125.73 1rlf h ARG 734 Ca -0.35 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1rlf h ARG 734 Cb 1.16 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1rlf h ARG 734 CO 0.97 0.88 0.00 0.54 -1.51 0.00 0.00 179.97 180.86