#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qfe n SER 676 N 0.00 -0.06 -4.53 0.41 3.41 -1.26 -4.84 113.62 106.75 2qfe n SER 676 Ca 0.00 -0.84 -0.24 0.00 -0.26 0.00 0.00 58.87 57.54 2qfe n SER 676 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2qfe n SER 676 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2qfe s SER 677 N -1.04 3.91 0.00 4.04 0.01 -1.26 -1.63 113.70 117.73 2qfe s SER 677 Ca 0.00 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2qfe s SER 677 Cb 0.00 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.75 2qfe s SER 677 CO 0.00 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2qfe n GLY 678 N -0.72 1.09 3.02 3.44 0.00 -1.26 -4.77 105.19 106.00 2qfe n GLY 678 Ca -0.05 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 2qfe n GLY 678 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qfe s LEU 679 N 0.00 4.77 -0.02 0.99 1.43 -1.26 -5.07 118.68 119.51 2qfe s LEU 679 Ca 0.00 -2.34 0.05 0.00 -1.03 0.00 0.00 54.13 50.81 2qfe s LEU 679 Cb 0.00 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2qfe s LEU 679 CO 0.00 -0.37 -0.16 -0.69 0.23 0.00 0.00 176.35 175.36 2qfe s VAL 680 N 0.66 1.29 0.59 -1.59 1.01 -1.26 -5.12 120.40 115.98 2qfe s VAL 680 Ca 0.12 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 2qfe s VAL 680 Cb -0.21 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2qfe s VAL 680 CO -0.06 0.37 1.14 -2.65 0.00 0.00 0.00 175.10 173.90 2qfe n PRO 681 N 2.90 1.17 -1.77 2.72 -0.02 -1.26 -4.91 135.00 133.84 2qfe n PRO 681 Ca -0.16 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2qfe n PRO 681 Cb 0.54 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2qfe n PRO 681 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qfe s ARG 682 N -2.88 4.13 0.00 -0.52 1.81 -1.26 -1.90 118.95 118.33 2qfe s ARG 682 Ca 0.76 2.58 0.00 0.00 -1.72 0.00 0.00 55.73 57.34 2qfe s ARG 682 Cb -0.42 -3.06 0.00 0.00 -0.45 0.00 0.00 34.95 31.02 2qfe s ARG 682 CO 0.47 -0.69 0.00 0.41 -0.68 0.00 0.00 175.30 174.81 2qfe n GLY 683 N 3.17 0.47 3.63 -3.53 0.00 -1.26 -5.01 105.19 102.66 2qfe n GLY 683 Ca 0.12 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2qfe n GLY 683 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qfe n SER 684 N 0.61 1.13 0.32 1.61 2.88 -0.80 -4.89 113.62 114.48 2qfe n SER 684 Ca 0.00 0.88 0.19 0.00 -1.33 0.00 0.00 58.87 58.62 2qfe n SER 684 Cb 0.00 -1.40 1.07 0.00 -0.75 0.00 0.00 64.21 63.13 2qfe n SER 684 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2qfe h PRO 685 N 0.87 0.00 -5.65 -1.46 0.11 -1.95 -3.35 132.00 120.58 2qfe h PRO 685 Ca -0.48 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 2qfe h PRO 685 Cb 1.35 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.33 2qfe h PRO 685 CO 0.53 0.00 0.54 0.71 -0.21 0.00 0.00 178.00 179.57 2qfe s TYR 686 N -4.36 2.74 -1.19 0.65 2.02 -1.26 -4.81 117.35 111.14 2qfe s TYR 686 Ca -0.05 -0.27 0.26 0.00 -0.37 0.00 0.00 57.07 56.64 2qfe s TYR 686 Cb 0.14 -4.15 0.71 0.00 -0.40 0.00 0.00 41.96 38.25 2qfe s TYR 686 CO 0.46 -1.48 1.55 0.25 -1.57 0.00 0.00 175.55 174.76 2qfe n THR 687 N 6.05 0.00 -4.75 -0.71 -2.24 -0.97 -4.81 114.28 106.86 2qfe n THR 687 Ca -0.01 -0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 2qfe n THR 687 Cb 0.47 0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 2qfe n THR 687 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qfe s LEU 688 N -2.86 2.06 -0.14 3.22 1.43 -0.24 -5.01 118.68 117.13 2qfe s LEU 688 Ca 0.15 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2qfe s LEU 688 Cb 0.18 -0.86 0.06 0.00 0.03 0.00 0.00 46.19 45.60 2qfe s LEU 688 CO 0.63 0.19 0.11 -0.55 0.23 0.00 0.00 176.35 176.95 2qfe s SER 689 N -0.53 1.85 -0.23 2.29 0.15 -1.26 -1.04 113.70 114.92 2qfe s SER 689 Ca 0.06 -0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.32 2qfe s SER 689 Cb -0.07 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 2qfe s SER 689 CO -0.00 -0.32 -0.01 -0.75 1.20 0.00 0.00 173.24 173.36 2qfe s LYS 690 N 2.18 3.35 -0.18 5.44 2.20 -0.02 -4.16 119.74 128.54 2qfe s LYS 690 Ca 0.03 -0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 54.91 2qfe s LYS 690 Cb -0.15 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2qfe s LYS 690 CO -0.08 -0.24 0.08 0.50 -0.36 0.00 0.00 175.35 175.26 2qfe s ARG 691 N 1.49 4.01 -0.13 4.03 3.52 -0.65 -0.63 118.95 130.60 2qfe s ARG 691 Ca 0.05 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.33 2qfe s ARG 691 Cb -0.15 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2qfe s ARG 691 CO -0.02 0.30 -0.04 0.42 -0.81 0.00 0.00 175.30 175.16 2qfe s ILE 692 N 0.30 3.90 -0.15 4.11 -1.09 0.47 -4.16 121.20 124.58 2qfe s ILE 692 Ca 0.05 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.08 2qfe s ILE 692 Cb -0.12 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 2qfe s ILE 692 CO -0.00 0.53 -0.08 0.54 -1.23 0.00 0.00 174.94 174.69 2qfe s ASN 693 N -0.07 4.38 0.04 3.58 2.20 -1.26 -0.86 114.94 122.95 2qfe s ASN 693 Ca 0.02 -0.24 0.01 0.00 -0.94 0.00 0.00 52.86 51.71 2qfe s ASN 693 Cb -0.13 -1.69 -0.00 0.00 -2.00 0.00 0.00 41.25 37.42 2qfe s ASN 693 CO 0.03 0.16 0.03 0.61 -2.94 0.00 0.00 177.10 174.99 2qfe n GLY 694 N 3.59 3.90 3.39 0.45 0.00 -0.37 -5.01 105.19 111.13 2qfe n GLY 694 Ca -0.18 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 2qfe n GLY 694 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qfe s LYS 695 N -2.17 1.20 -0.22 1.61 -2.85 -1.26 -1.27 119.74 114.77 2qfe s LYS 695 Ca 0.05 -0.60 -0.11 0.00 -1.00 0.00 0.00 55.97 54.31 2qfe s LYS 695 Cb 0.00 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 36.26 2qfe s LYS 695 CO 0.03 -0.50 0.20 -1.58 0.10 0.00 0.00 175.35 173.60 2qfe s TRP 696 N -3.78 3.35 -0.12 1.78 0.51 -0.10 -4.86 118.94 115.71 2qfe s TRP 696 Ca 0.02 0.33 -0.12 0.00 -2.12 0.00 0.00 56.10 54.21 2qfe s TRP 696 Cb 0.00 -2.30 0.03 0.00 -0.81 0.00 0.00 33.47 30.40 2qfe s TRP 696 CO -0.12 0.11 0.35 0.45 -0.51 0.00 0.00 176.95 177.22 2qfe s SER 697 N 0.89 -0.35 0.74 2.95 0.15 -1.26 -1.80 113.70 115.02 2qfe s SER 697 Ca 0.10 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2qfe s SER 697 Cb -0.13 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2qfe s SER 697 CO 0.04 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2qfe n GLY 698 N 2.78 2.95 0.00 9.45 0.00 -1.26 -0.25 105.19 118.87 2qfe n GLY 698 Ca -0.14 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2qfe n GLY 698 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qfe n GLN 699 N 14.00 0.01 0.00 1.61 10.64 -1.26 -2.10 117.38 140.28 2qfe n GLN 699 Ca 0.00 0.19 0.14 0.00 -1.83 0.00 0.00 57.00 55.50 2qfe n GLN 699 Cb 0.00 -1.50 0.66 0.00 -0.86 0.00 0.00 30.24 28.54 2qfe n GLN 699 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2qfe n SER 700 N -1.50 0.20 -4.05 2.61 3.41 0.66 -4.37 113.62 110.58 2qfe n SER 700 Ca 0.04 -0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 57.98 2qfe n SER 700 Cb 0.21 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2qfe n SER 700 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qfe n ALA 701 N -1.19 4.82 0.49 7.33 0.00 -0.89 -4.01 120.51 127.05 2qfe n ALA 701 Ca 0.13 -3.99 0.12 0.00 0.00 0.00 0.00 53.44 49.70 2qfe n ALA 701 Cb 0.27 -3.41 0.10 0.00 0.00 0.00 0.00 19.45 16.40 2qfe n ALA 701 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qfe n GLY 702 N 4.21 -1.35 1.24 0.00 0.00 -1.26 -0.71 105.19 107.32 2qfe n GLY 702 Ca 0.48 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 46.23 2qfe n GLY 702 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qfe n GLY 703 N 1.32 -2.16 2.94 -0.02 0.00 -1.25 -3.38 105.19 102.64 2qfe n GLY 703 Ca 0.02 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 2qfe n GLY 703 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qfe h GLY 705 N -1.37 0.00 2.00 0.00 0.00 -1.92 -0.57 103.07 101.22 2qfe h GLY 705 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2qfe h GLY 705 CO 0.23 0.00 -0.09 3.43 0.00 0.00 0.00 176.54 180.11 2qfe h ASN 706 N 0.00 0.00 -2.57 0.19 2.35 -1.92 -3.29 115.58 110.34 2qfe h ASN 706 Ca -0.00 0.00 -0.77 0.00 -0.55 0.00 0.00 56.30 54.98 2qfe h ASN 706 Cb 0.03 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.18 2qfe h ASN 706 CO 0.00 0.09 1.11 0.49 -1.65 0.00 0.00 177.43 177.47 2qfe n PHE 707 N -4.22 4.12 0.23 1.19 3.72 -0.22 -4.81 117.46 117.47 2qfe n PHE 707 Ca -0.03 -3.25 0.10 0.00 -0.05 0.00 0.00 57.45 54.22 2qfe n PHE 707 Cb 0.17 -1.81 0.52 0.00 -0.94 0.00 0.00 39.48 37.41 2qfe n PHE 707 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2qfe h GLN 708 N 6.37 0.00 0.00 -1.08 5.75 -1.80 0.15 115.11 124.50 2qfe h GLN 708 Ca 0.27 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.70 2qfe h GLN 708 Cb 0.77 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 2qfe h GLN 708 CO 1.27 0.23 -0.31 1.49 -2.65 0.00 0.00 178.83 178.86 2qfe h GLU 709 N 0.00 0.00 0.00 1.69 4.57 -1.92 -3.37 114.58 115.55 2qfe h GLU 709 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qfe h GLU 709 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2qfe h GLU 709 CO 0.03 0.31 0.00 0.25 -1.18 0.00 0.00 179.01 178.42 2qfe n THR 710 N -3.73 0.00 -0.34 0.32 -2.24 -0.41 -4.77 114.28 103.11 2qfe n THR 710 Ca -0.01 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2qfe n THR 710 Cb 0.41 1.13 0.14 0.00 -2.10 0.00 0.00 70.33 69.91 2qfe n THR 710 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2qfe h HIS 711 N 0.00 1.12 0.00 4.78 6.17 -0.77 -0.40 115.15 126.04 2qfe h HIS 711 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2qfe h HIS 711 Cb 0.06 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 29.62 2qfe h HIS 711 CO 0.00 0.61 0.00 0.36 0.71 0.00 0.00 177.93 179.61 2qfe n LYS 712 N -4.53 0.15 0.00 5.26 2.85 -1.26 -2.07 118.16 118.56 2qfe n LYS 712 Ca 0.13 0.19 0.13 0.00 -1.05 0.00 0.00 58.31 57.71 2qfe n LYS 712 Cb 0.13 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.42 2qfe n LYS 712 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2qfe n ASN 713 N -1.28 0.64 -4.65 -5.58 3.02 -0.16 -4.94 115.26 102.31 2qfe n ASN 713 Ca 0.05 -0.49 -0.30 0.00 -0.03 0.00 0.00 54.58 53.81 2qfe n ASN 713 Cb 0.08 0.07 0.17 0.00 -0.61 0.00 0.00 39.78 39.49 2qfe n ASN 713 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2qfe s ASN 714 N -2.71 2.75 0.63 6.41 0.01 -0.88 -4.10 114.94 117.06 2qfe s ASN 714 Ca 0.20 2.02 -0.18 0.00 -0.71 0.00 0.00 52.86 54.18 2qfe s ASN 714 Cb 0.19 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 2qfe s ASN 714 CO 0.57 -3.18 1.22 -2.65 -1.51 0.00 0.00 177.10 171.55 2qfe n PRO 715 N -4.27 1.09 -4.20 -0.60 -0.02 -1.26 -4.91 135.00 120.83 2qfe n PRO 715 Ca 0.10 0.42 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 2qfe n PRO 715 Cb 0.53 -2.45 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 2qfe n PRO 715 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qfe s ILE 716 N -1.41 0.75 0.12 4.25 1.01 -1.26 -3.94 121.20 120.72 2qfe s ILE 716 Ca 0.81 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.31 2qfe s ILE 716 Cb -0.39 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2qfe s ILE 716 CO 0.42 0.28 -0.02 -0.31 0.00 0.00 0.00 174.94 175.31 2qfe s TYR 717 N 1.07 2.89 -0.06 3.97 2.02 -0.39 -0.23 117.35 126.61 2qfe s TYR 717 Ca -0.08 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2qfe s TYR 717 Cb -0.14 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 2qfe s TYR 717 CO -0.01 0.48 -0.15 -1.14 -1.57 0.00 0.00 175.55 173.16 2qfe s GLN 718 N -2.53 1.81 0.08 -0.62 0.74 0.56 -0.21 119.66 119.49 2qfe s GLN 718 Ca 0.25 -0.53 0.04 0.00 0.05 0.00 0.00 55.36 55.17 2qfe s GLN 718 Cb -0.11 -1.51 -0.03 0.00 1.10 0.00 0.00 33.01 32.46 2qfe s GLN 718 CO 0.17 0.14 -0.11 -0.59 -0.55 0.00 0.00 175.29 174.35 2qfe s PHE 719 N 0.34 1.06 -0.16 1.67 -0.12 0.43 -0.95 117.98 120.26 2qfe s PHE 719 Ca -0.10 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.21 2qfe s PHE 719 Cb -0.14 -0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 41.66 2qfe s PHE 719 CO 0.03 0.01 -0.15 -1.58 -0.05 0.00 0.00 175.22 173.49 2qfe s HIS 720 N -1.98 2.79 -0.35 3.49 5.65 -0.40 -1.05 115.29 123.43 2qfe s HIS 720 Ca 0.02 -1.02 -0.17 0.00 0.25 0.00 0.00 55.06 54.13 2qfe s HIS 720 Cb -0.06 -1.89 -0.01 0.00 -1.18 0.00 0.00 32.58 29.45 2qfe s HIS 720 CO 0.01 -0.47 0.47 0.42 -0.65 0.00 0.00 174.74 174.52 2qfe s ILE 721 N 0.81 5.06 -0.03 0.89 -1.09 0.56 -3.50 121.20 123.90 2qfe s ILE 721 Ca -0.05 0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.59 2qfe s ILE 721 Cb -0.15 -3.93 -0.28 0.00 -1.58 0.00 0.00 42.46 36.53 2qfe s ILE 721 CO -0.00 -0.18 0.73 -0.33 -1.23 0.00 0.00 174.94 173.93 2qfe h GLU 722 N 8.46 0.25 -4.59 2.79 4.39 -1.84 -0.10 114.58 123.95 2qfe h GLU 722 Ca -0.28 -0.43 -0.50 0.00 0.34 0.00 0.00 59.36 58.48 2qfe h GLU 722 Cb 1.13 0.16 -0.33 0.00 -0.10 0.00 0.00 28.75 29.61 2qfe h GLU 722 CO 0.75 1.11 -0.81 0.15 -1.16 0.00 0.00 179.01 179.05 2qfe s LYS 723 N -2.60 1.56 0.32 2.33 -0.14 -1.26 -4.87 119.74 115.08 2qfe s LYS 723 Ca -0.12 -0.40 -0.28 0.00 -1.36 0.00 0.00 55.97 53.81 2qfe s LYS 723 Cb 0.07 -1.32 -0.13 0.00 -1.68 0.00 0.00 37.83 34.77 2qfe s LYS 723 CO 0.84 0.05 1.23 -2.37 -0.76 0.00 0.00 175.35 174.34 2qfe n THR 724 N 3.70 1.90 -3.10 2.17 5.66 -1.26 -4.78 114.28 118.58 2qfe n THR 724 Ca -0.22 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 2qfe n THR 724 Cb 0.52 -1.42 0.00 0.00 -1.55 0.00 0.00 70.33 67.88 2qfe n THR 724 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qfe n GLY 725 N 1.00 -1.53 3.77 1.09 0.00 -1.15 -4.98 105.19 103.39 2qfe n GLY 725 Ca 0.06 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 2qfe n GLY 725 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qfe s PRO 726 N -1.54 4.62 -0.02 1.61 0.04 -1.00 -2.37 135.00 136.35 2qfe s PRO 726 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2qfe s PRO 726 Cb 0.00 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.29 2qfe s PRO 726 CO 0.00 0.53 0.02 -1.17 0.04 0.00 0.00 177.00 176.42 2qfe s LEU 727 N -1.04 1.18 -0.11 -3.56 2.96 -0.28 -3.94 118.68 113.90 2qfe s LEU 727 Ca 0.37 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2qfe s LEU 727 Cb -0.24 -0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.39 2qfe s LEU 727 CO 0.27 -0.11 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.81 2qfe s LEU 728 N 0.95 1.75 -0.15 -0.68 0.20 -0.22 0.47 118.68 121.00 2qfe s LEU 728 Ca -0.08 -0.44 -0.03 0.00 0.69 0.00 0.00 54.13 54.27 2qfe s LEU 728 Cb -0.12 -1.11 -0.02 0.00 -0.43 0.00 0.00 46.19 44.51 2qfe s LEU 728 CO -0.03 0.03 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.38 2qfe s ILE 729 N 0.94 3.73 -0.04 6.68 1.01 -0.01 -0.51 121.20 133.00 2qfe s ILE 729 Ca -0.08 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2qfe s ILE 729 Cb -0.15 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 2qfe s ILE 729 CO -0.01 0.50 -0.24 -1.61 0.00 0.00 0.00 174.94 173.58 2qfe s GLU 730 N 0.39 2.32 -0.12 2.79 2.02 -0.31 -0.87 118.70 124.93 2qfe s GLU 730 Ca -0.05 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.08 2qfe s GLU 730 Cb -0.15 -2.14 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 2qfe s GLU 730 CO 0.03 0.51 -0.20 -1.17 0.02 0.00 0.00 175.26 174.45 2qfe s LEU 731 N -0.47 2.32 -0.06 1.80 2.96 -0.26 -0.31 118.68 124.67 2qfe s LEU 731 Ca 0.06 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2qfe s LEU 731 Cb -0.11 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2qfe s LEU 731 CO 0.01 0.15 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.83 2qfe s ARG 732 N 0.40 2.36 0.09 1.98 0.52 -0.30 -1.49 118.95 122.52 2qfe s ARG 732 Ca -0.15 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 2qfe s ARG 732 Cb -0.17 -2.00 -0.01 0.00 0.52 0.00 0.00 34.95 33.29 2qfe s ARG 732 CO 0.07 0.34 0.05 0.41 0.02 0.00 0.00 175.30 176.18 2qfe n GLY 733 N 3.02 3.84 3.64 -3.53 0.00 -0.13 -1.18 105.19 110.85 2qfe n GLY 733 Ca -0.18 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2qfe n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qfe n PRO 734 N -0.19 1.54 -0.32 1.61 -0.02 -1.26 -4.56 135.00 131.79 2qfe n PRO 734 Ca -0.00 0.55 0.25 0.00 -2.02 0.00 0.00 63.50 62.27 2qfe n PRO 734 Cb 0.15 -2.13 0.54 0.00 -0.02 0.00 0.00 33.50 32.03 2qfe n PRO 734 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qfe h ARG 735 N 1.76 0.33 -0.06 -0.52 2.43 -1.93 -1.21 114.38 115.18 2qfe h ARG 735 Ca -0.45 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2qfe h ARG 735 Cb 1.32 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2qfe h ARG 735 CO 0.58 0.22 0.00 1.04 -1.51 0.00 0.00 179.97 180.30 2qfe n GLN 736 N -4.58 1.64 -4.13 0.20 6.02 -1.26 -3.67 117.38 111.60 2qfe n GLN 736 Ca 0.26 -0.94 -0.33 0.00 -0.01 0.00 0.00 57.00 55.97 2qfe n GLN 736 Cb 0.93 -1.45 -0.07 0.00 1.02 0.00 0.00 30.24 30.67 2qfe n GLN 736 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2qfe s TYR 737 N -1.93 3.27 -0.13 1.08 2.02 -0.46 -4.98 117.35 116.22 2qfe s TYR 737 Ca 0.36 0.21 -0.23 0.00 -0.37 0.00 0.00 57.07 57.04 2qfe s TYR 737 Cb 0.20 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2qfe s TYR 737 CO 0.31 0.54 0.70 0.45 -1.57 0.00 0.00 175.55 175.99 2qfe s SER 738 N -1.63 6.88 0.15 2.29 0.15 -1.26 -0.79 113.70 119.50 2qfe s SER 738 Ca 0.21 1.07 0.05 0.00 0.70 0.00 0.00 55.95 57.99 2qfe s SER 738 Cb -0.12 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 2qfe s SER 738 CO 0.12 -0.22 -0.11 0.68 1.20 0.00 0.00 173.24 174.91 2qfe s VAL 739 N 1.41 1.25 -0.01 4.45 -7.23 0.31 -1.61 120.40 118.97 2qfe s VAL 739 Ca 0.35 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 2qfe s VAL 739 Cb -0.17 -1.84 0.10 0.00 0.56 0.00 0.00 36.38 35.04 2qfe s VAL 739 CO 0.14 -0.70 0.99 -0.83 -0.31 0.00 0.00 175.10 174.40 2qfe s GLY 740 N -3.12 -0.38 0.10 2.32 0.00 -0.54 -1.98 107.32 103.72 2qfe s GLY 740 Ca 0.17 0.92 -0.06 0.00 0.00 0.00 0.00 44.72 45.75 2qfe s GLY 740 CO 0.02 0.29 0.13 -0.11 0.00 0.00 0.00 173.10 173.42 2qfe s PHE 741 N -2.97 0.40 0.06 1.90 -0.12 -1.26 -0.58 117.98 115.41 2qfe s PHE 741 Ca 0.08 -0.84 0.09 0.00 -0.05 0.00 0.00 56.93 56.21 2qfe s PHE 741 Cb -0.01 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.14 2qfe s PHE 741 CO -0.06 -0.53 -0.25 -1.21 -0.05 0.00 0.00 175.22 173.13 2qfe s GLU 742 N -3.93 1.81 -0.13 1.99 2.02 -0.78 -0.71 118.70 118.97 2qfe s GLU 742 Ca 0.11 -1.12 0.01 0.00 0.02 0.00 0.00 54.97 53.99 2qfe s GLU 742 Cb 0.06 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.27 2qfe s GLU 742 CO -0.07 0.51 -0.16 0.08 0.02 0.00 0.00 175.26 175.64 2qfe s VAL 743 N -0.86 2.69 -0.09 2.63 1.01 0.51 -1.09 120.40 125.20 2qfe s VAL 743 Ca 0.13 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2qfe s VAL 743 Cb -0.10 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2qfe s VAL 743 CO 0.03 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 2qfe s VAL 744 N 0.48 2.06 -0.14 2.92 1.01 0.50 -0.70 120.40 126.53 2qfe s VAL 744 Ca -0.11 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 2qfe s VAL 744 Cb -0.16 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2qfe s VAL 744 CO 0.05 0.56 1.28 -0.89 0.00 0.00 0.00 175.10 176.10 2qfe s THR 745 N 0.26 4.22 -0.20 3.92 2.01 -0.02 -0.93 115.64 124.90 2qfe s THR 745 Ca -0.16 1.49 -0.19 0.00 0.31 0.00 0.00 61.69 63.13 2qfe s THR 745 Cb -0.17 -3.96 -0.20 0.00 0.01 0.00 0.00 72.50 68.18 2qfe s THR 745 CO 0.08 -0.11 0.23 0.52 -0.69 0.00 0.00 174.62 174.65 2qfe n VAL 746 N 5.23 1.57 -3.57 3.82 0.31 0.26 -4.94 118.33 121.01 2qfe n VAL 746 Ca 0.14 -0.12 -0.06 0.00 -0.01 0.00 0.00 64.34 64.28 2qfe n VAL 746 Cb 0.45 -2.00 -0.08 0.00 -0.91 0.00 0.00 33.84 31.31 2qfe n VAL 746 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qfe s SER 747 N -6.90 -0.41 -0.12 4.52 0.15 -0.82 -4.98 113.70 105.14 2qfe s SER 747 Ca -0.28 0.96 0.02 0.00 0.70 0.00 0.00 55.95 57.34 2qfe s SER 747 Cb 0.06 1.54 0.02 0.00 -1.71 0.00 0.00 66.02 65.93 2qfe s SER 747 CO 0.62 -0.24 -0.16 0.42 1.20 0.00 0.00 173.24 175.07 2qfe s THR 748 N 2.67 1.59 -0.12 6.45 -4.23 -1.26 -0.21 115.64 120.53 2qfe s THR 748 Ca 0.02 -0.68 0.16 0.00 -1.18 0.00 0.00 61.69 60.01 2qfe s THR 748 Cb -0.13 -1.45 -0.15 0.00 1.34 0.00 0.00 72.50 72.12 2qfe s THR 748 CO -0.15 0.46 0.80 0.18 -0.54 0.00 0.00 174.62 175.37 2qfe n LEU 749 N 4.31 0.85 -4.56 4.79 4.77 -1.26 -4.89 117.00 121.01 2qfe n LEU 749 Ca -0.19 0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 2qfe n LEU 749 Cb 0.51 0.09 0.22 0.00 -2.33 0.00 0.00 43.42 41.90 2qfe n LEU 749 CO 0.24 0.17 0.56 0.61 -1.33 0.00 0.00 177.39 177.63 2qfe n GLY 750 N 1.41 -1.30 3.73 -0.72 0.00 -1.26 -5.00 105.19 102.05 2qfe n GLY 750 Ca -0.11 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 2qfe n GLY 750 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qfe s ASP 751 N -2.49 3.86 -1.01 1.61 -1.08 -1.26 -4.87 116.67 111.43 2qfe s ASP 751 Ca 0.68 1.98 -0.24 0.00 -0.52 0.00 0.00 52.55 54.44 2qfe s ASP 751 Cb -0.24 -2.54 -0.10 0.00 -1.46 0.00 0.00 42.92 38.58 2qfe s ASP 751 CO 0.62 -2.47 2.03 -2.16 0.52 0.00 0.00 175.17 173.71 2qfe s PRO 752 N -4.79 2.23 0.69 4.34 0.04 -1.26 -4.98 135.00 131.27 2qfe s PRO 752 Ca 0.64 -0.50 -0.05 0.00 0.04 0.00 0.00 61.00 61.12 2qfe s PRO 752 Cb -0.20 -5.08 0.06 0.00 0.04 0.00 0.00 34.50 29.33 2qfe s PRO 752 CO 0.57 -4.00 0.98 0.20 0.04 0.00 0.00 177.00 174.79 2qfe s GLY 753 N 7.97 1.71 0.44 0.56 0.00 -1.26 -4.99 107.32 111.75 2qfe s GLY 753 Ca 0.74 -1.00 0.11 0.00 0.00 0.00 0.00 44.72 44.57 2qfe s GLY 753 CO 0.08 -0.60 2.04 -0.56 0.00 0.00 0.00 173.10 174.05 2qfe h PRO 754 N -0.51 0.39 -0.09 2.90 0.13 -2.00 -2.07 132.00 130.75 2qfe h PRO 754 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2qfe h PRO 754 Cb 1.31 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2qfe h PRO 754 CO 0.59 0.26 0.00 0.72 -0.23 0.00 0.00 178.00 179.33 2qfe n HIS 755 N -4.48 0.11 -2.17 1.56 8.25 -1.26 -4.88 115.22 112.34 2qfe n HIS 755 Ca 0.05 -0.05 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2qfe n HIS 755 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 2qfe n HIS 755 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qfe s GLY 756 N -1.69 2.75 0.20 -1.41 0.00 -0.78 -4.61 107.32 101.79 2qfe s GLY 756 Ca 0.34 0.97 -0.15 0.00 0.00 0.00 0.00 44.72 45.87 2qfe s GLY 756 CO 0.27 1.40 0.47 -0.11 0.00 0.00 0.00 173.10 175.14 2qfe s PHE 757 N -1.57 0.07 -0.17 1.90 -0.12 -1.26 -5.03 117.98 111.80 2qfe s PHE 757 Ca 0.68 -0.43 -0.13 0.00 -0.05 0.00 0.00 56.93 57.00 2qfe s PHE 757 Cb -0.29 0.28 -0.08 0.00 -0.63 0.00 0.00 43.02 42.30 2qfe s PHE 757 CO 0.34 -0.91 -0.11 -0.11 -0.05 0.00 0.00 175.22 174.39 2qfe n LEU 758 N -0.33 1.84 -3.83 -1.99 7.94 -1.26 -4.40 117.00 114.97 2qfe n LEU 758 Ca -0.08 0.54 -0.13 0.00 -1.11 0.00 0.00 56.01 55.24 2qfe n LEU 758 Cb 0.62 -0.88 -0.14 0.00 0.53 0.00 0.00 43.42 43.55 2qfe n LEU 758 CO 0.19 -0.22 -0.32 -0.60 -1.11 0.00 0.00 177.39 175.33 2qfe s ARG 759 N -2.34 0.03 0.26 1.96 3.52 -1.26 -0.84 118.95 120.28 2qfe s ARG 759 Ca -0.21 0.10 0.06 0.00 -0.13 0.00 0.00 55.73 55.56 2qfe s ARG 759 Cb 0.04 -0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 2qfe s ARG 759 CO 0.34 -0.05 -0.07 0.15 -0.81 0.00 0.00 175.30 174.86 2qfe s LYS 760 N 0.31 1.47 0.14 5.12 1.02 0.12 -4.98 119.74 122.94 2qfe s LYS 760 Ca -0.02 -1.73 -0.04 0.00 0.02 0.00 0.00 55.97 54.19 2qfe s LYS 760 Cb -0.04 -1.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.18 2qfe s LYS 760 CO -0.01 0.05 0.15 -1.54 -0.92 0.00 0.00 175.35 173.08 2qfe s SER 761 N -3.40 0.20 0.05 2.83 1.04 -1.26 -0.36 113.70 112.80 2qfe s SER 761 Ca 0.28 -1.05 0.10 0.00 0.48 0.00 0.00 55.95 55.76 2qfe s SER 761 Cb 0.03 0.35 0.45 0.00 0.10 0.00 0.00 66.02 66.95 2qfe s SER 761 CO 0.10 -0.79 1.32 -1.54 0.98 0.00 0.00 173.24 173.31 2qfe n SER 762 N -0.14 0.10 0.00 7.02 3.41 0.11 -4.94 113.62 119.18 2qfe n SER 762 Ca -0.07 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2qfe n SER 762 Cb 0.63 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2qfe n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qfe n GLY 763 N -0.67 0.88 3.76 5.00 0.00 -1.26 -4.67 105.19 108.23 2qfe n GLY 763 Ca 0.02 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 2qfe n GLY 763 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qfe s ASP 764 N -4.00 5.71 0.32 1.61 1.01 -1.26 -4.92 116.67 115.13 2qfe s ASP 764 Ca 0.00 2.72 -0.29 0.00 0.71 0.00 0.00 52.55 55.69 2qfe s ASP 764 Cb 0.00 -2.64 -0.11 0.00 1.01 0.00 0.00 42.92 41.19 2qfe s ASP 764 CO 0.00 -1.27 1.43 -0.31 0.21 0.00 0.00 175.17 175.24 2qfe s TYR 765 N -1.31 2.87 0.08 4.23 1.51 -1.26 -4.90 117.35 118.57 2qfe s TYR 765 Ca 0.65 1.15 0.03 0.00 -1.01 0.00 0.00 57.07 57.90 2qfe s TYR 765 Cb -0.39 -3.87 -0.03 0.00 -0.11 0.00 0.00 41.96 37.55 2qfe s TYR 765 CO 0.48 -2.64 -0.09 1.03 -1.11 0.00 0.00 175.55 173.22 2qfe s ARG 766 N -1.31 0.76 -0.00 -0.62 0.52 -0.84 -4.82 118.95 112.64 2qfe s ARG 766 Ca 0.55 -1.07 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 2qfe s ARG 766 Cb -0.43 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.55 2qfe s ARG 766 CO 0.52 0.06 1.32 0.00 0.02 0.00 0.00 175.30 177.23 2qfe n GLY 768 N 3.50 1.11 3.19 0.00 0.00 0.03 -4.85 105.19 108.16 2qfe n GLY 768 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2qfe n GLY 768 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qfe s PHE 769 N 0.00 -0.30 0.25 1.61 5.36 -1.26 -0.96 117.98 122.68 2qfe s PHE 769 Ca 0.00 0.71 -0.14 0.00 -0.96 0.00 0.00 56.93 56.54 2qfe s PHE 769 Cb 0.00 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 2qfe s PHE 769 CO 0.00 -0.19 0.52 0.00 -1.46 0.00 0.00 175.22 174.09 2qfe s TYR 771 N -3.99 0.07 -0.06 0.00 -0.85 -1.26 -1.10 117.35 110.16 2qfe s TYR 771 Ca 0.19 -0.43 -0.02 0.00 -0.52 0.00 0.00 57.07 56.29 2qfe s TYR 771 Cb -0.02 0.29 0.04 0.00 0.38 0.00 0.00 41.96 42.65 2qfe s TYR 771 CO 0.08 -0.91 0.12 -1.17 -1.52 0.00 0.00 175.55 172.15 2qfe s LEU 772 N -2.92 0.53 -0.21 -3.49 2.96 -0.05 -4.64 118.68 110.87 2qfe s LEU 772 Ca 0.13 0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.24 2qfe s LEU 772 Cb -0.00 0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.89 2qfe s LEU 772 CO 0.01 -0.18 0.01 -0.70 -1.32 0.00 0.00 176.35 174.17 2qfe s GLU 773 N 1.52 3.62 -0.57 1.98 2.12 -1.26 -0.83 118.70 125.28 2qfe s GLU 773 Ca -0.05 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 54.81 2qfe s GLU 773 Cb -0.12 -3.11 0.15 0.00 0.26 0.00 0.00 34.13 31.31 2qfe s GLU 773 CO -0.05 -0.02 0.37 -0.51 -0.54 0.00 0.00 175.26 174.51 2qfe s LEU 774 N 1.09 3.85 0.54 2.70 1.43 0.18 -4.97 118.68 123.50 2qfe s LEU 774 Ca 0.03 -3.33 0.28 0.00 -1.03 0.00 0.00 54.13 50.08 2qfe s LEU 774 Cb -0.14 -1.36 1.54 0.00 0.03 0.00 0.00 46.19 46.25 2qfe s LEU 774 CO 0.02 -0.16 2.11 -0.08 0.23 0.00 0.00 176.35 178.47 2qfe h GLU 775 N 5.94 0.00 -1.17 1.70 4.81 -1.82 -0.70 114.58 123.33 2qfe h GLU 775 Ca 0.08 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.87 2qfe h GLU 775 Cb 0.84 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.81 2qfe h GLU 775 CO 0.62 0.09 -1.02 0.09 -0.73 0.00 0.00 179.01 178.07 2qfe n ASN 776 N -3.68 2.71 -4.75 1.04 3.02 -1.25 -2.37 115.26 109.98 2qfe n ASN 776 Ca -0.02 -3.08 -0.41 0.00 -0.03 0.00 0.00 54.58 51.03 2qfe n ASN 776 Cb 0.20 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 38.86 2qfe n ASN 776 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2qfe s ILE 777 N -4.06 2.25 0.79 2.41 2.07 -1.00 -4.68 121.20 118.99 2qfe s ILE 777 Ca 0.35 0.22 -0.11 0.00 -1.41 0.00 0.00 60.65 59.70 2qfe s ILE 777 Cb 0.43 -3.14 0.07 0.00 0.13 0.00 0.00 42.46 39.95 2qfe s ILE 777 CO -0.05 0.04 1.10 -2.84 -1.91 0.00 0.00 174.94 171.29 2qfe s PRO 778 N -0.78 2.06 0.25 3.50 0.02 -1.26 -2.93 135.00 135.85 2qfe s PRO 778 Ca 0.60 1.26 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 2qfe s PRO 778 Cb -0.46 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.10 2qfe s PRO 778 CO 0.49 -1.81 1.36 0.45 -0.33 0.00 0.00 177.00 177.16 2qfe s SER 779 N -3.19 6.78 0.00 2.53 0.15 -1.26 -4.76 113.70 113.95 2qfe s SER 779 Ca 0.63 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.85 2qfe s SER 779 Cb -0.19 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2qfe s SER 779 CO 0.55 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2qfe n GLY 780 N 1.91 -0.47 3.35 9.45 0.00 -0.05 -4.26 105.19 115.11 2qfe n GLY 780 Ca 0.05 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 2qfe n GLY 780 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qfe s ILE 781 N -2.94 2.79 0.03 -0.61 1.01 0.71 -0.33 121.20 121.86 2qfe s ILE 781 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2qfe s ILE 781 Cb 0.00 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 2qfe s ILE 781 CO 0.00 0.54 -0.07 -0.36 0.00 0.00 0.00 174.94 175.05 2qfe s PHE 782 N 0.17 0.59 0.09 3.97 0.08 -0.21 -0.58 117.98 122.09 2qfe s PHE 782 Ca -0.09 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.55 2qfe s PHE 782 Cb -0.15 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 2qfe s PHE 782 CO 0.06 -0.09 0.02 -0.80 -0.10 0.00 0.00 175.22 174.30 2qfe s ASN 783 N -1.40 5.14 -0.03 1.36 0.01 -0.11 -0.43 114.94 119.48 2qfe s ASN 783 Ca -0.09 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 51.93 2qfe s ASN 783 Cb -0.09 -1.26 0.01 0.00 0.41 0.00 0.00 41.25 40.32 2qfe s ASN 783 CO 0.00 0.17 -0.07 -0.51 -1.51 0.00 0.00 177.10 175.18 2qfe s ILE 784 N -1.33 0.69 -0.31 0.60 2.07 0.70 -0.37 121.20 123.26 2qfe s ILE 784 Ca 0.27 -0.28 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2qfe s ILE 784 Cb -0.12 -0.65 0.09 0.00 0.13 0.00 0.00 42.46 41.92 2qfe s ILE 784 CO 0.19 0.23 0.04 -0.63 -1.91 0.00 0.00 174.94 172.86 2qfe s ILE 785 N 0.44 1.79 0.15 2.00 1.09 -0.25 -1.26 121.20 125.16 2qfe s ILE 785 Ca -0.07 -1.88 -0.15 0.00 -1.10 0.00 0.00 60.65 57.46 2qfe s ILE 785 Cb -0.11 -2.26 -0.07 0.00 -1.06 0.00 0.00 42.46 38.97 2qfe s ILE 785 CO 0.01 -0.50 0.57 -2.16 -0.10 0.00 0.00 174.94 172.76 2qfe s PRO 786 N 1.18 4.02 0.11 2.79 0.04 -1.25 -1.86 135.00 140.03 2qfe s PRO 786 Ca 0.07 0.55 -0.13 0.00 0.04 0.00 0.00 61.00 61.53 2qfe s PRO 786 Cb -0.19 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.44 2qfe s PRO 786 CO -0.12 0.47 0.32 -1.54 0.04 0.00 0.00 177.00 176.17 2qfe s SER 787 N -1.69 -0.09 0.56 6.66 1.04 0.26 -4.47 113.70 115.98 2qfe s SER 787 Ca 0.38 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.32 2qfe s SER 787 Cb -0.15 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2qfe s SER 787 CO 0.19 -0.81 0.81 0.42 0.98 0.00 0.00 173.24 174.83 2qfe s THR 788 N -3.84 2.97 -0.00 2.02 -4.23 -1.26 -1.46 115.64 109.83 2qfe s THR 788 Ca 0.04 -0.49 -0.24 0.00 -1.18 0.00 0.00 61.69 59.82 2qfe s THR 788 Cb 0.03 -3.14 -0.18 0.00 1.34 0.00 0.00 72.50 70.54 2qfe s THR 788 CO -0.11 -0.12 1.29 0.15 -0.54 0.00 0.00 174.62 175.30 2qfe h PHE 789 N -0.01 0.14 -3.07 3.99 3.57 -1.66 -1.96 116.94 117.93 2qfe h PHE 789 Ca -0.44 -0.04 -0.54 0.00 3.53 0.00 0.00 57.97 60.48 2qfe h PHE 789 Cb 1.29 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 2qfe h PHE 789 CO 0.39 0.57 -0.26 -0.51 -2.23 0.00 0.00 178.31 176.26 2qfe s LEU 790 N -9.19 4.19 0.90 0.59 1.43 -1.26 -1.36 118.68 113.98 2qfe s LEU 790 Ca -0.15 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 2qfe s LEU 790 Cb 0.03 -3.34 0.13 0.00 0.03 0.00 0.00 46.19 43.04 2qfe s LEU 790 CO 0.70 -0.06 1.09 -2.84 0.23 0.00 0.00 176.35 175.48 2qfe s PRO 791 N -3.15 1.21 -1.42 1.29 0.02 -1.26 -3.94 135.00 127.75 2qfe s PRO 791 Ca 0.41 0.78 -0.01 0.00 0.02 0.00 0.00 61.00 62.20 2qfe s PRO 791 Cb -0.11 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2qfe s PRO 791 CO 0.27 -2.26 0.11 1.63 -0.33 0.00 0.00 177.00 176.43 2qfe n LYS 792 N -3.89 -1.97 -3.38 5.54 5.02 0.11 -4.86 118.16 114.73 2qfe n LYS 792 Ca 0.07 0.81 -0.45 0.00 -2.02 0.00 0.00 58.31 56.72 2qfe n LYS 792 Cb 0.55 -5.27 -0.05 0.00 -0.02 0.00 0.00 35.03 30.24 2qfe n LYS 792 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2qfe s GLN 793 N -5.00 2.98 0.02 1.97 -0.21 -1.26 -5.06 119.66 113.09 2qfe s GLN 793 Ca 0.06 -1.89 -0.13 0.00 0.02 0.00 0.00 55.36 53.42 2qfe s GLN 793 Cb -0.03 -4.22 -0.06 0.00 1.00 0.00 0.00 33.01 29.71 2qfe s GLN 793 CO 0.07 -1.29 0.39 -1.21 -2.12 0.00 0.00 175.29 171.13 2qfe s GLU 794 N 1.22 3.84 0.00 2.91 2.02 -1.26 -4.77 118.70 122.66 2qfe s GLU 794 Ca 0.07 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.37 2qfe s GLU 794 Cb -0.25 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2qfe s GLU 794 CO -0.00 0.66 0.00 0.41 0.02 0.00 0.00 175.26 176.35 2qfe n GLY 795 N 1.56 1.24 3.88 -1.39 0.00 -0.74 -4.97 105.19 104.76 2qfe n GLY 795 Ca -0.13 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 2qfe n GLY 795 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qfe s PRO 796 N -2.00 3.61 0.14 1.61 0.04 -1.26 -0.93 135.00 136.21 2qfe s PRO 796 Ca 0.00 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 2qfe s PRO 796 Cb 0.00 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2qfe s PRO 796 CO 0.00 -0.46 0.32 -0.59 0.04 0.00 0.00 177.00 176.31 2qfe s PHE 797 N -3.03 0.12 -0.05 0.56 -0.12 -0.40 -4.11 117.98 110.95 2qfe s PHE 797 Ca 0.53 -0.49 0.05 0.00 -0.05 0.00 0.00 56.93 56.97 2qfe s PHE 797 Cb -0.11 0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 2qfe s PHE 797 CO 0.50 -0.70 -0.21 -0.06 -0.05 0.00 0.00 175.22 174.70 2qfe s PHE 798 N -3.89 2.03 -0.19 3.49 0.08 -0.33 -1.24 117.98 117.94 2qfe s PHE 798 Ca 0.10 -0.59 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 2qfe s PHE 798 Cb 0.03 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.13 2qfe s PHE 798 CO -0.06 -0.19 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.23 2qfe s LEU 799 N -0.05 2.49 -0.12 -0.37 1.43 -0.04 -1.15 118.68 120.88 2qfe s LEU 799 Ca -0.04 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2qfe s LEU 799 Cb -0.12 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2qfe s LEU 799 CO 0.03 0.02 -0.04 -1.81 0.23 0.00 0.00 176.35 174.77 2qfe s ASP 800 N 1.21 4.81 -0.29 2.29 1.01 0.57 -0.39 116.67 125.89 2qfe s ASP 800 Ca 0.02 -0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 2qfe s ASP 800 Cb -0.14 -1.54 0.05 0.00 1.01 0.00 0.00 42.92 42.30 2qfe s ASP 800 CO -0.06 0.27 -0.03 -0.36 0.21 0.00 0.00 175.17 175.20 2qfe s PHE 801 N -0.22 3.24 -0.20 4.23 0.08 0.20 -1.16 117.98 124.15 2qfe s PHE 801 Ca 0.04 -1.92 -0.07 0.00 0.12 0.00 0.00 56.93 55.10 2qfe s PHE 801 Cb -0.13 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2qfe s PHE 801 CO 0.02 -0.81 0.04 -0.80 -0.10 0.00 0.00 175.22 173.58 2qfe s ASN 802 N 1.23 5.29 0.33 1.36 0.01 0.33 -0.84 114.94 122.65 2qfe s ASN 802 Ca -0.05 -0.06 -0.05 0.00 -0.71 0.00 0.00 52.86 51.99 2qfe s ASN 802 Cb -0.19 -1.91 0.02 0.00 0.41 0.00 0.00 41.25 39.58 2qfe s ASN 802 CO -0.02 0.11 0.53 -1.54 -1.51 0.00 0.00 177.10 174.67 2qfe n SER 803 N 3.97 -1.52 -0.00 -1.22 3.41 -0.20 -1.05 113.62 117.00 2qfe n SER 803 Ca -0.17 -2.64 0.04 0.00 -0.26 0.00 0.00 58.87 55.84 2qfe n SER 803 Cb 0.52 2.70 -0.05 0.00 -0.26 0.00 0.00 64.21 67.11 2qfe n SER 803 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2qfe n ILE 804 N -0.51 0.00 -4.80 -1.33 -5.35 -1.25 -1.08 119.36 105.03 2qfe n ILE 804 Ca -0.02 -0.24 -0.31 0.00 -0.27 0.00 0.00 62.75 61.91 2qfe n ILE 804 Cb 0.54 0.62 -0.14 0.00 -1.74 0.00 0.00 39.64 38.92 2qfe n ILE 804 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2qfe s ILE 805 N -2.18 2.51 0.51 7.28 1.09 -1.26 -4.85 121.20 124.30 2qfe s ILE 805 Ca -0.00 -1.24 -0.23 0.00 -1.10 0.00 0.00 60.65 58.08 2qfe s ILE 805 Cb 0.05 -2.01 -0.06 0.00 -1.06 0.00 0.00 42.46 39.38 2qfe s ILE 805 CO 0.32 0.38 1.36 -2.84 -0.10 0.00 0.00 174.94 174.06 2qfe s PRO 806 N -1.28 3.35 -0.10 2.79 0.02 -1.26 -5.02 135.00 133.50 2qfe s PRO 806 Ca 0.13 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.43 2qfe s PRO 806 Cb -0.10 -2.39 0.01 0.00 0.02 0.00 0.00 34.50 32.04 2qfe s PRO 806 CO 0.03 -1.03 -0.19 0.42 -0.33 0.00 0.00 177.00 175.90 2qfe s ILE 807 N -1.29 1.71 0.10 2.83 1.01 -1.26 -4.69 121.20 119.61 2qfe s ILE 807 Ca 0.68 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 2qfe s ILE 807 Cb -0.41 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 2qfe s ILE 807 CO 0.49 0.48 0.93 -0.54 0.00 0.00 0.00 174.94 176.31 2qfe s LYS 808 N 0.69 4.67 0.01 2.79 1.02 -1.23 -4.92 119.74 122.78 2qfe s LYS 808 Ca -0.12 1.40 0.02 0.00 0.02 0.00 0.00 55.97 57.29 2qfe s LYS 808 Cb -0.16 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2qfe s LYS 808 CO 0.03 0.23 -0.08 0.42 -0.92 0.00 0.00 175.35 175.03 2qfe s ILE 809 N -0.04 0.60 0.06 2.17 1.01 -1.26 -1.28 121.20 122.46 2qfe s ILE 809 Ca 0.46 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 2qfe s ILE 809 Cb -0.23 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2qfe s ILE 809 CO 0.29 0.00 -0.04 0.28 0.00 0.00 0.00 174.94 175.47 2qfe s THR 810 N -0.54 0.32 -0.16 2.92 -1.32 -0.12 -4.98 115.64 111.74 2qfe s THR 810 Ca -0.01 -1.72 -0.16 0.00 -1.21 0.00 0.00 61.69 58.59 2qfe s THR 810 Cb -0.05 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 2qfe s THR 810 CO 0.00 -0.91 0.38 -1.58 -2.21 0.00 0.00 174.62 170.30 2qfe s GLN 811 N -3.59 4.26 -0.10 7.08 0.74 -1.26 -0.32 119.66 126.47 2qfe s GLN 811 Ca 0.05 0.23 -0.08 0.00 0.05 0.00 0.00 55.36 55.61 2qfe s GLN 811 Cb 0.05 -3.46 -0.27 0.00 1.10 0.00 0.00 33.01 30.43 2qfe s GLN 811 CO -0.08 0.13 0.45 -0.07 -0.55 0.00 0.00 175.29 175.17 2qfe h LEU 812 N 6.98 0.46 0.00 3.68 3.38 -0.95 -3.48 115.31 125.39 2qfe h LEU 812 Ca -0.40 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.63 2qfe h LEU 812 Cb 1.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2qfe h LEU 812 CO 0.75 1.84 0.00 0.00 0.09 0.00 0.00 178.44 181.11