#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnn h PHE 673 N 0.00 -0.60 -0.86 4.28 3.57 -2.03 -2.05 116.94 119.25 1xnn h PHE 673 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1xnn h PHE 673 Cb 0.00 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1xnn h PHE 673 CO 0.00 -0.32 0.56 -0.07 -2.23 0.00 0.00 178.31 176.26 1xnn h LEU 674 N -0.76 0.89 -0.57 0.59 -0.00 -1.99 -1.70 115.31 111.78 1xnn h LEU 674 Ca -0.07 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.79 1xnn h LEU 674 Cb 0.55 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 1xnn h LEU 674 CO 0.11 0.60 0.29 0.78 -0.00 0.00 0.00 178.44 180.22 1xnn h ASN 675 N 1.03 0.72 -0.55 -0.43 -0.26 -1.97 -1.59 115.58 112.53 1xnn h ASN 675 Ca 0.35 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.97 1xnn h ASN 675 Cb 0.09 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 1xnn h ASN 675 CO -0.11 0.63 0.31 0.58 -1.06 0.00 0.00 177.43 177.78 1xnn h VAL 676 N 0.76 1.18 -0.62 2.81 2.07 -0.59 -0.46 116.25 121.40 1xnn h VAL 676 Ca 0.20 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xnn h VAL 676 Cb 0.08 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1xnn h VAL 676 CO -0.03 0.19 0.34 -0.07 0.02 0.00 0.00 177.57 178.03 1xnn h LEU 677 N 0.74 0.77 -0.58 2.57 4.07 -1.08 -0.90 115.31 120.90 1xnn h LEU 677 Ca 0.20 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.94 1xnn h LEU 677 Cb 0.03 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 1xnn h LEU 677 CO -0.03 0.64 -0.23 -0.33 -1.08 0.00 0.00 178.44 177.41 1xnn h GLU 678 N 0.84 0.90 -0.64 1.13 5.08 -1.13 -2.14 114.58 118.62 1xnn h GLU 678 Ca 0.22 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1xnn h GLU 678 Cb 0.04 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1xnn h GLU 678 CO -0.04 1.03 0.19 0.00 -1.00 0.00 0.00 179.01 179.19 1xnn h ALA 679 N 0.96 0.83 -0.01 3.43 0.00 -0.68 -3.10 119.26 120.69 1xnn h ALA 679 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xnn h ALA 679 Cb 0.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xnn h ALA 679 CO 0.06 0.51 -0.08 0.44 0.00 0.00 0.00 179.25 180.19 1xnn n ILE 680 N -4.35 0.00 -1.74 0.00 -5.35 -0.38 -4.93 119.36 102.61 1xnn n ILE 680 Ca 0.04 -0.20 -0.42 0.00 -0.27 0.00 0.00 62.75 61.90 1xnn n ILE 680 Cb 0.22 0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 38.50 1xnn n ILE 680 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1xnn s GLU 681 N -2.18 4.14 0.75 6.28 2.56 -0.81 -4.80 118.70 124.65 1xnn s GLU 681 Ca 0.34 2.57 -0.16 0.00 0.00 0.00 0.00 54.97 57.72 1xnn s GLU 681 Cb 0.20 -3.61 -0.01 0.00 2.00 0.00 0.00 34.13 32.71 1xnn s GLU 681 CO 0.40 -0.83 0.67 -2.30 -0.56 0.00 0.00 175.26 172.63 1xnn n PRO 682 N 5.72 0.27 -0.11 4.30 -0.02 -1.26 -5.03 135.00 138.88 1xnn n PRO 682 Ca 0.18 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1xnn n PRO 682 Cb 0.38 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1xnn n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xnn n GLY 683 N 1.42 1.28 3.75 -1.23 0.00 -1.26 -5.04 105.19 104.12 1xnn n GLY 683 Ca 0.11 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1xnn n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnn s VAL 684 N 1.39 2.99 -0.17 1.61 1.01 -1.26 -5.01 120.40 120.97 1xnn s VAL 684 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1xnn s VAL 684 Cb 0.00 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1xnn s VAL 684 CO 0.00 0.17 -0.04 -0.69 0.00 0.00 0.00 175.10 174.54 1xnn s VAL 685 N -0.42 1.05 0.46 2.92 1.01 -1.26 -5.13 120.40 119.02 1xnn s VAL 685 Ca 0.53 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1xnn s VAL 685 Cb -0.38 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1xnn s VAL 685 CO 0.44 0.09 0.75 0.00 0.00 0.00 0.00 175.10 176.38 1xnn n ALA 687 N -2.10 2.22 -1.33 0.00 0.00 -1.26 -4.87 120.51 113.17 1xnn n ALA 687 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1xnn n ALA 687 Cb 0.55 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1xnn n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnn n GLY 688 N 1.41 0.48 3.72 0.00 0.00 -1.26 -4.50 105.19 105.04 1xnn n GLY 688 Ca -0.13 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1xnn n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xnn s HIS 689 N -2.00 3.47 -0.92 1.61 5.04 -1.26 -4.95 115.29 116.28 1xnn s HIS 689 Ca 0.00 1.40 -0.24 0.00 -1.54 0.00 0.00 55.06 54.68 1xnn s HIS 689 Cb 0.00 -3.39 0.01 0.00 0.04 0.00 0.00 32.58 29.24 1xnn s HIS 689 CO 0.00 -1.11 1.60 -0.51 -2.34 0.00 0.00 174.74 172.38 1xnn s ASP 690 N 0.56 5.98 -0.01 9.88 1.11 -1.26 -4.82 116.67 128.10 1xnn s ASP 690 Ca 0.55 -0.96 0.01 0.00 0.18 0.00 0.00 52.55 52.33 1xnn s ASP 690 Cb -0.30 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.18 1xnn s ASP 690 CO 0.32 -1.97 0.64 0.59 1.18 0.00 0.00 175.17 175.94 1xnn n ASN 691 N 10.69 1.17 -0.00 0.27 4.13 -1.26 -2.63 115.26 127.63 1xnn n ASN 691 Ca 0.30 -2.05 0.02 0.00 1.68 0.00 0.00 54.58 54.53 1xnn n ASN 691 Cb 0.50 -0.45 -0.11 0.00 -1.54 0.00 0.00 39.78 38.17 1xnn n ASN 691 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1xnn n ASN 692 N -0.01 0.43 -4.80 6.41 0.23 -1.26 -4.93 115.26 111.33 1xnn n ASN 692 Ca 0.02 0.19 -0.33 0.00 -0.53 0.00 0.00 54.58 53.93 1xnn n ASN 692 Cb 0.28 0.88 -0.00 0.00 -2.08 0.00 0.00 39.78 38.85 1xnn n ASN 692 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1xnn s GLN 693 N -3.04 3.45 0.30 -3.83 -1.52 -1.08 -4.97 119.66 108.96 1xnn s GLN 693 Ca -0.06 1.21 0.25 0.00 -1.95 0.00 0.00 55.36 54.82 1xnn s GLN 693 Cb 0.10 -2.05 0.99 0.00 -0.22 0.00 0.00 33.01 31.83 1xnn s GLN 693 CO 0.84 -0.71 1.76 -1.00 -0.25 0.00 0.00 175.29 175.93 1xnn h PRO 694 N 0.67 0.00 0.00 2.91 0.13 -1.91 -3.49 132.00 130.30 1xnn h PRO 694 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xnn h PRO 694 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xnn h PRO 694 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 1xnn n ASP 695 N -2.39 -0.19 -3.51 1.44 10.43 -1.26 -5.15 116.55 115.92 1xnn n ASP 695 Ca 0.03 0.00 -0.11 0.00 2.57 0.00 0.00 54.79 57.27 1xnn n ASP 695 Cb 0.28 0.10 -0.03 0.00 1.84 0.00 0.00 41.12 43.31 1xnn n ASP 695 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1xnn s SER 696 N -0.11 -0.42 0.15 -2.24 1.04 -1.26 -5.04 113.70 105.82 1xnn s SER 696 Ca 0.00 -0.14 -0.22 0.00 0.48 0.00 0.00 55.95 56.06 1xnn s SER 696 Cb 0.00 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1xnn s SER 696 CO 0.00 -0.92 1.63 0.15 0.98 0.00 0.00 173.24 175.08 1xnn h PHE 697 N 2.16 -0.66 -0.20 5.02 3.57 -1.96 -1.45 116.94 123.42 1xnn h PHE 697 Ca -0.34 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.21 1xnn h PHE 697 Cb 1.29 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 1xnn h PHE 697 CO 0.27 -0.32 0.10 0.00 -2.23 0.00 0.00 178.31 176.13 1xnn h ALA 698 N 0.80 0.24 -0.64 2.41 0.00 -1.87 -1.15 119.26 119.05 1xnn h ALA 698 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xnn h ALA 698 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1xnn h ALA 698 CO -0.40 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 178.88 1xnn h ALA 699 N 1.10 0.83 0.16 0.00 0.00 -1.84 0.11 119.26 119.61 1xnn h ALA 699 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xnn h ALA 699 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xnn h ALA 699 CO -0.05 0.35 -0.08 -0.07 0.00 0.00 0.00 179.25 179.41 1xnn h LEU 700 N 0.88 -0.18 -1.16 0.00 4.07 -1.13 -2.40 115.31 115.40 1xnn h LEU 700 Ca 0.23 -0.21 -0.08 0.00 0.08 0.00 0.00 57.88 57.90 1xnn h LEU 700 Cb 0.06 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1xnn h LEU 700 CO -0.03 0.12 -0.27 -0.07 -1.08 0.00 0.00 178.44 177.11 1xnn h LEU 701 N -0.49 0.25 -0.65 1.67 -0.00 -1.16 -0.44 115.31 114.50 1xnn h LEU 701 Ca -0.02 -0.08 -0.11 0.00 -0.00 0.00 0.00 57.88 57.67 1xnn h LEU 701 Cb 0.38 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 1xnn h LEU 701 CO 0.04 0.52 -0.15 0.28 -0.00 0.00 0.00 178.44 179.13 1xnn h SER 702 N 0.23 0.90 -0.31 -0.43 0.02 -0.78 -0.34 113.55 112.84 1xnn h SER 702 Ca 0.04 -0.30 -0.17 0.00 -0.84 0.00 0.00 61.79 60.51 1xnn h SER 702 Cb 0.60 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1xnn h SER 702 CO 0.04 1.05 -0.46 0.28 -1.14 0.00 0.00 176.83 176.60 1xnn h SER 703 N 0.80 0.96 -0.68 3.07 0.02 -1.04 -2.12 113.55 114.56 1xnn h SER 703 Ca 0.12 -0.48 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 1xnn h SER 703 Cb 0.68 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1xnn h SER 703 CO 0.05 1.27 0.28 -0.07 -1.14 0.00 0.00 176.83 177.22 1xnn h LEU 704 N 0.70 0.92 -0.66 5.07 3.38 -0.90 0.74 115.31 124.56 1xnn h LEU 704 Ca 0.04 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1xnn h LEU 704 Cb 1.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1xnn h LEU 704 CO 0.11 0.83 0.11 0.78 0.09 0.00 0.00 178.44 180.36 1xnn h ASN 705 N 0.95 1.04 -0.37 -0.43 -0.26 -1.01 0.31 115.58 115.82 1xnn h ASN 705 Ca 0.23 -0.26 -0.06 0.00 -0.56 0.00 0.00 56.30 55.65 1xnn h ASN 705 Cb 0.18 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1xnn h ASN 705 CO -0.02 1.03 -0.00 -0.08 -1.06 0.00 0.00 177.43 177.30 1xnn h GLU 706 N 1.01 0.65 -0.74 0.81 4.57 -1.04 -1.44 114.58 118.40 1xnn h GLU 706 Ca 0.20 -0.21 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1xnn h GLU 706 Cb 0.43 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1xnn h GLU 706 CO 0.01 0.76 0.34 1.25 -1.18 0.00 0.00 179.01 180.19 1xnn h LEU 707 N 0.47 0.99 -0.74 1.64 5.85 -0.63 -1.83 115.31 121.06 1xnn h LEU 707 Ca 0.10 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1xnn h LEU 707 Cb 0.46 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1xnn h LEU 707 CO 0.02 0.86 0.46 1.23 -0.34 0.00 0.00 178.44 180.67 1xnn h GLY 708 N 1.05 1.07 0.95 3.75 0.00 -0.10 0.12 103.07 109.92 1xnn h GLY 708 Ca 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1xnn h GLY 708 CO -0.03 0.28 0.16 -2.09 0.00 0.00 0.00 176.54 174.86 1xnn h GLU 709 N 0.89 0.68 -0.58 4.80 4.57 -0.92 -0.88 114.58 123.14 1xnn h GLU 709 Ca 0.30 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1xnn h GLU 709 Cb 0.04 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 1xnn h GLU 709 CO -0.12 0.65 0.39 0.00 -1.18 0.00 0.00 179.01 178.74 1xnn h ARG 710 N 0.58 0.77 -0.48 1.92 3.08 -0.61 -2.31 114.38 117.31 1xnn h ARG 710 Ca 0.15 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1xnn h ARG 710 Cb 0.24 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1xnn h ARG 710 CO -0.01 0.51 -0.10 0.37 -1.07 0.00 0.00 179.97 179.66 1xnn h GLN 711 N 0.79 0.89 -0.48 0.04 5.75 -0.64 -2.86 115.11 118.60 1xnn h GLN 711 Ca 0.21 -0.31 0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1xnn h GLN 711 Cb -0.09 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 1xnn h GLN 711 CO -0.05 0.95 0.25 1.25 -2.65 0.00 0.00 178.83 178.58 1xnn h LEU 712 N 0.80 0.36 -0.68 -2.39 5.85 -0.74 0.16 115.31 118.67 1xnn h LEU 712 Ca 0.13 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1xnn h LEU 712 Cb 0.62 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1xnn h LEU 712 CO 0.04 0.25 0.37 0.58 -0.34 0.00 0.00 178.44 179.35 1xnn h VAL 713 N 0.49 0.96 -0.14 1.05 2.07 -1.23 -0.61 116.25 118.84 1xnn h VAL 713 Ca 0.21 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 1xnn h VAL 713 Cb 0.10 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1xnn h VAL 713 CO -0.14 0.13 -0.53 0.45 0.02 0.00 0.00 177.57 177.50 1xnn h HIS 714 N 0.69 0.48 -0.34 1.57 3.86 -1.17 -2.82 115.15 117.41 1xnn h HIS 714 Ca 0.31 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1xnn h HIS 714 Cb 0.20 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1xnn h HIS 714 CO -0.08 0.83 -0.24 0.28 0.86 0.00 0.00 177.93 179.58 1xnn h VAL 715 N 0.30 1.27 -0.30 2.45 2.07 -0.05 -1.09 116.25 120.91 1xnn h VAL 715 Ca 0.01 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1xnn h VAL 715 Cb 1.02 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1xnn h VAL 715 CO 0.09 0.43 0.11 0.58 0.02 0.00 0.00 177.57 178.81 1xnn h VAL 716 N 0.58 1.19 -0.60 2.57 2.07 -1.03 -0.30 116.25 120.73 1xnn h VAL 716 Ca 0.08 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 1xnn h VAL 716 Cb 0.72 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1xnn h VAL 716 CO 0.06 0.20 0.04 0.11 0.02 0.00 0.00 177.57 177.99 1xnn h LYS 717 N 0.33 1.03 0.41 1.57 1.57 -1.38 -2.11 116.57 117.99 1xnn h LYS 717 Ca 0.10 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1xnn h LYS 717 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xnn h LYS 717 CO -0.01 1.00 -0.20 2.35 -0.57 0.00 0.00 179.45 182.02 1xnn h TRP 718 N 0.92 -0.51 -0.60 -1.35 7.01 -1.06 -2.87 115.95 117.50 1xnn h TRP 718 Ca 0.17 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.22 1xnn h TRP 718 Cb 0.51 0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.69 1xnn h TRP 718 CO 0.04 -0.30 0.31 0.00 -2.79 0.00 0.00 178.44 175.70 1xnn h ALA 719 N 0.03 0.78 0.00 2.65 0.00 -0.99 -2.00 119.26 119.73 1xnn h ALA 719 Ca -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xnn h ALA 719 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xnn h ALA 719 CO 0.09 -0.03 -0.11 0.87 0.00 0.00 0.00 179.25 180.07 1xnn h LYS 720 N 0.59 0.00 -0.21 0.00 1.57 -1.38 -2.27 116.57 114.87 1xnn h LYS 720 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1xnn h LYS 720 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xnn h LYS 720 CO -0.18 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.81 1xnn n ALA 721 N -2.24 2.50 -1.77 3.86 0.00 -0.77 -4.65 120.51 117.44 1xnn n ALA 721 Ca -0.01 -0.63 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 1xnn n ALA 721 Cb 0.26 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 1xnn n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xnn s LEU 722 N -1.56 4.32 0.05 0.00 1.43 -0.85 -4.95 118.68 117.12 1xnn s LEU 722 Ca 0.33 2.11 -0.35 0.00 -1.03 0.00 0.00 54.13 55.20 1xnn s LEU 722 Cb 0.19 -3.95 -0.14 0.00 0.03 0.00 0.00 46.19 42.32 1xnn s LEU 722 CO 0.27 -0.32 1.64 -2.65 0.23 0.00 0.00 176.35 175.52 1xnn n PRO 723 N 0.48 1.94 -0.51 1.29 -0.02 -1.26 -1.79 135.00 135.12 1xnn n PRO 723 Ca 0.02 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1xnn n PRO 723 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1xnn n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xnn n GLY 724 N 3.60 1.18 0.33 -1.23 0.00 -1.26 -4.90 105.19 102.91 1xnn n GLY 724 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1xnn n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xnn h PHE 725 N 0.00 0.55 0.00 1.61 3.57 -1.66 -1.09 116.94 119.92 1xnn h PHE 725 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1xnn h PHE 725 Cb 0.00 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1xnn h PHE 725 CO 0.00 0.32 0.00 0.54 -2.23 0.00 0.00 178.31 176.94 1xnn n ARG 726 N -4.47 0.20 0.20 1.11 1.74 -1.26 -2.21 116.66 111.96 1xnn n ARG 726 Ca 0.06 0.14 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 1xnn n ARG 726 Cb 0.15 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.64 1xnn n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1xnn h ASN 727 N 0.00 0.00 -4.03 0.55 -0.26 -1.60 -3.44 115.58 106.80 1xnn h ASN 727 Ca 0.00 0.00 -0.45 0.00 -0.56 0.00 0.00 56.30 55.29 1xnn h ASN 727 Cb 0.19 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1xnn h ASN 727 CO 0.00 0.00 0.31 -0.76 -1.06 0.00 0.00 177.43 175.92 1xnn s LEU 728 N -5.38 3.91 0.51 1.61 1.43 -0.94 -4.97 118.68 114.85 1xnn s LEU 728 Ca 0.04 1.61 -0.22 0.00 -1.03 0.00 0.00 54.13 54.52 1xnn s LEU 728 Cb 0.09 -4.47 -0.07 0.00 0.03 0.00 0.00 46.19 41.77 1xnn s LEU 728 CO 0.50 -0.37 1.15 1.57 0.23 0.00 0.00 176.35 179.43 1xnn n HIS 729 N -0.75 1.60 -0.27 0.29 -0.00 -1.26 -4.74 115.22 110.09 1xnn n HIS 729 Ca 0.06 0.47 0.05 0.00 -0.00 0.00 0.00 57.72 58.31 1xnn n HIS 729 Cb 0.54 -2.27 0.19 0.00 -0.00 0.00 0.00 29.99 28.44 1xnn n HIS 729 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1xnn h VAL 730 N 1.34 0.72 -0.07 3.57 2.07 -1.95 -1.00 116.25 120.94 1xnn h VAL 730 Ca -0.48 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.72 1xnn h VAL 730 Cb 1.33 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1xnn h VAL 730 CO 0.56 0.10 -0.58 0.44 0.02 0.00 0.00 177.57 178.11 1xnn h ASP 731 N 0.53 0.24 -0.23 0.57 3.32 -2.01 -3.09 116.42 115.74 1xnn h ASP 731 Ca 0.42 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 1xnn h ASP 731 Cb 0.59 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1xnn h ASP 731 CO -0.36 0.76 -0.35 0.44 -1.72 0.00 0.00 179.24 178.01 1xnn h ASP 732 N 0.16 0.80 -0.22 6.45 3.32 -1.65 -2.36 116.42 122.91 1xnn h ASP 732 Ca -0.00 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.76 1xnn h ASP 732 Cb 1.06 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 1xnn h ASP 732 CO 0.09 1.07 -0.11 1.56 -1.72 0.00 0.00 179.24 180.12 1xnn h GLN 733 N 0.63 -0.09 -0.21 3.56 4.20 -1.14 0.12 115.11 122.19 1xnn h GLN 733 Ca 0.06 0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 1xnn h GLN 733 Cb 0.89 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1xnn h GLN 733 CO 0.08 -0.06 -0.55 0.52 -0.67 0.00 0.00 178.83 178.15 1xnn h MET 734 N -0.09 0.65 0.16 1.46 2.86 -1.59 -2.73 114.93 115.65 1xnn h MET 734 Ca 0.12 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1xnn h MET 734 Cb 0.27 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1xnn h MET 734 CO -0.28 1.03 -0.21 0.00 1.06 0.00 0.00 176.91 178.51 1xnn h ALA 735 N 0.88 -0.40 -0.85 6.32 0.00 -0.86 -0.58 119.26 123.78 1xnn h ALA 735 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xnn h ALA 735 Cb 1.12 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1xnn h ALA 735 CO 0.11 -0.76 0.51 0.28 0.00 0.00 0.00 179.25 179.39 1xnn h VAL 736 N -0.43 0.97 -0.36 0.00 2.07 -0.79 -1.10 116.25 116.61 1xnn h VAL 736 Ca 0.01 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1xnn h VAL 736 Cb 0.43 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1xnn h VAL 736 CO -0.08 0.16 -0.01 0.40 0.02 0.00 0.00 177.57 178.05 1xnn h ILE 737 N 0.89 1.26 -0.31 4.57 2.04 -1.14 -2.37 117.51 122.45 1xnn h ILE 737 Ca 0.39 -1.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 1xnn h ILE 737 Cb 0.28 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1xnn h ILE 737 CO -0.21 0.34 -0.30 1.56 0.00 0.00 0.00 178.15 179.53 1xnn h GLN 738 N 0.46 0.65 -0.17 2.37 4.20 -0.72 0.09 115.11 121.98 1xnn h GLN 738 Ca 0.10 -0.28 -0.18 0.00 0.06 0.00 0.00 58.65 58.35 1xnn h GLN 738 Cb 0.48 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1xnn h GLN 738 CO 0.02 0.87 -0.62 1.88 -0.67 0.00 0.00 178.83 180.31 1xnn h TYR 739 N 0.55 0.78 -0.00 2.96 0.05 -1.21 -3.27 116.97 116.83 1xnn h TYR 739 Ca 0.07 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1xnn h TYR 739 Cb 0.80 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1xnn h TYR 739 CO 0.04 1.07 -0.50 -1.13 -1.05 0.00 0.00 178.16 176.58 1xnn n SER 740 N -3.94 0.98 -0.29 3.88 3.41 -0.90 -4.52 113.62 112.24 1xnn n SER 740 Ca -0.04 -0.77 0.01 0.00 -0.26 0.00 0.00 58.87 57.80 1xnn n SER 740 Cb 0.65 0.37 0.08 0.00 -0.26 0.00 0.00 64.21 65.05 1xnn n SER 740 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1xnn h TRP 741 N 0.75 -0.64 -0.17 7.33 7.01 -1.02 -0.43 115.95 128.78 1xnn h TRP 741 Ca 0.00 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1xnn h TRP 741 Cb 0.54 0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1xnn h TRP 741 CO 0.00 -0.37 0.07 1.98 -2.79 0.00 0.00 178.44 177.33 1xnn h MET 742 N -0.03 0.25 -0.91 2.65 4.05 -1.83 -1.75 114.93 117.37 1xnn h MET 742 Ca 0.36 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.73 1xnn h MET 742 Cb 0.60 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 1xnn h MET 742 CO -0.85 0.33 0.53 0.78 0.23 0.00 0.00 176.91 177.92 1xnn h GLY 743 N 0.12 1.33 1.14 1.39 0.00 -1.68 -0.64 103.07 104.72 1xnn h GLY 743 Ca 0.06 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1xnn h GLY 743 CO -0.00 0.55 0.19 1.41 0.00 0.00 0.00 176.54 178.69 1xnn h LEU 744 N 1.26 1.00 -0.62 3.11 3.38 -0.97 -0.86 115.31 121.61 1xnn h LEU 744 Ca 0.32 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1xnn h LEU 744 Cb -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1xnn h LEU 744 CO -0.06 0.95 -0.45 0.24 0.09 0.00 0.00 178.44 179.21 1xnn h MET 745 N 1.02 0.56 0.07 1.13 2.86 -0.76 -1.82 114.93 118.00 1xnn h MET 745 Ca 0.22 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1xnn h MET 745 Cb 0.32 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1xnn h MET 745 CO -0.00 0.90 -0.03 0.28 1.06 0.00 0.00 176.91 179.11 1xnn h VAL 746 N 0.45 1.06 0.07 -2.22 2.07 -0.81 -1.33 116.25 115.54 1xnn h VAL 746 Ca 0.03 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1xnn h VAL 746 Cb 0.96 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1xnn h VAL 746 CO 0.09 0.11 -0.08 0.15 0.02 0.00 0.00 177.57 177.86 1xnn h PHE 747 N -0.29 -0.20 -0.67 1.57 3.57 -1.12 0.47 116.94 120.27 1xnn h PHE 747 Ca -0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1xnn h PHE 747 Cb 0.25 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1xnn h PHE 747 CO -0.01 -0.12 0.22 0.00 -2.23 0.00 0.00 178.31 176.17 1xnn h ALA 748 N 0.75 1.13 -0.14 2.41 0.00 -1.37 -1.61 119.26 120.42 1xnn h ALA 748 Ca 0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1xnn h ALA 748 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1xnn h ALA 748 CO -0.03 0.61 -0.46 1.98 0.00 0.00 0.00 179.25 181.35 1xnn h MET 749 N 0.99 0.36 -0.36 0.00 1.85 -1.02 -0.12 114.93 116.62 1xnn h MET 749 Ca 0.22 -0.19 -0.07 0.00 -0.61 0.00 0.00 59.70 59.05 1xnn h MET 749 Cb 0.26 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 1xnn h MET 749 CO -0.01 0.74 -0.07 0.78 -0.40 0.00 0.00 176.91 177.96 1xnn h GLY 750 N 1.21 0.64 0.79 1.39 0.00 -0.44 -1.20 103.07 105.46 1xnn h GLY 750 Ca 0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1xnn h GLY 750 CO 0.08 0.39 -0.16 -0.25 0.00 0.00 0.00 176.54 176.60 1xnn h TRP 751 N 0.55 0.51 -0.91 5.60 2.91 -0.70 -2.09 115.95 121.83 1xnn h TRP 751 Ca 0.11 -0.15 0.01 0.00 1.13 0.00 0.00 58.89 59.99 1xnn h TRP 751 Cb 0.45 -0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 28.95 1xnn h TRP 751 CO 0.02 0.79 0.60 0.00 -1.03 0.00 0.00 178.44 178.81 1xnn h ARG 752 N 0.09 1.18 -0.49 2.65 3.08 -0.85 -1.05 114.38 118.98 1xnn h ARG 752 Ca 0.03 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1xnn h ARG 752 Cb 0.70 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1xnn h ARG 752 CO 0.04 0.78 -0.01 0.77 -1.07 0.00 0.00 179.97 180.48 1xnn h SER 753 N 1.21 0.79 -0.19 7.04 0.02 -1.16 0.17 113.55 121.43 1xnn h SER 753 Ca 0.34 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1xnn h SER 753 Cb -0.12 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.21 1xnn h SER 753 CO -0.08 0.86 -0.11 0.15 -1.14 0.00 0.00 176.83 176.51 1xnn h PHE 754 N 0.76 0.48 0.00 3.45 3.57 -0.83 -0.53 116.94 123.84 1xnn h PHE 754 Ca 0.15 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xnn h PHE 754 Cb 0.47 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1xnn h PHE 754 CO 0.03 0.73 -0.10 1.79 -2.23 0.00 0.00 178.31 178.52 1xnn h THR 755 N 0.09 0.00 0.00 4.41 1.35 -1.11 -2.90 112.91 114.75 1xnn h THR 755 Ca 0.04 -0.63 -0.39 0.00 -0.55 0.00 0.00 66.41 64.87 1xnn h THR 755 Cb 0.61 1.57 -0.07 0.00 -1.73 0.00 0.00 68.15 68.54 1xnn h THR 755 CO 0.03 0.00 -2.46 0.59 -0.25 0.00 0.00 175.52 173.43 1xnn n ASN 756 N -2.48 2.01 -1.13 5.36 5.03 0.58 -4.79 115.26 119.84 1xnn n ASN 756 Ca 0.05 -0.06 0.03 0.00 0.87 0.00 0.00 54.58 55.46 1xnn n ASN 756 Cb 0.46 -0.46 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 1xnn n ASN 756 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1xnn n VAL 757 N -3.40 0.09 -3.94 2.41 0.24 -0.78 -5.03 118.33 107.92 1xnn n VAL 757 Ca -0.46 -0.76 -0.29 0.00 -2.04 0.00 0.00 64.34 60.79 1xnn n VAL 757 Cb 0.96 0.79 0.01 0.00 -1.47 0.00 0.00 33.84 34.13 1xnn n VAL 757 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1xnn n ASN 758 N 0.27 -3.23 -0.29 -1.34 5.03 -0.78 -1.69 115.26 113.23 1xnn n ASN 758 Ca 0.05 -0.86 -0.04 0.00 0.87 0.00 0.00 54.58 54.60 1xnn n ASN 758 Cb 0.98 -3.59 -0.02 0.00 -1.02 0.00 0.00 39.78 36.14 1xnn n ASN 758 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1xnn n SER 759 N -2.86 -5.88 -0.20 6.41 7.64 -0.28 -4.82 113.62 113.62 1xnn n SER 759 Ca -0.06 0.09 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 1xnn n SER 759 Cb 0.57 -3.72 0.02 0.00 -1.01 0.00 0.00 64.21 60.07 1xnn n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1xnn h ARG 760 N 0.01 0.98 -4.74 1.43 3.08 -1.58 -3.46 114.38 110.10 1xnn h ARG 760 Ca -0.08 -0.29 -0.31 0.00 0.07 0.00 0.00 59.98 59.37 1xnn h ARG 760 Cb 1.06 -0.10 -0.15 0.00 0.08 0.00 0.00 29.97 30.86 1xnn h ARG 760 CO 0.11 0.96 -0.60 -1.64 -1.07 0.00 0.00 179.97 177.73 1xnn s MET 761 N -5.10 1.36 -0.40 0.04 -1.94 -1.26 -4.93 119.30 107.06 1xnn s MET 761 Ca -0.12 -1.74 -0.17 0.00 -1.71 0.00 0.00 55.69 51.95 1xnn s MET 761 Cb 0.13 0.07 0.01 0.00 2.01 0.00 0.00 34.83 37.05 1xnn s MET 761 CO 0.84 -0.39 0.44 -0.51 -0.01 0.00 0.00 175.02 175.38 1xnn s LEU 762 N -3.25 4.73 -1.34 -0.03 1.43 -0.62 -4.80 118.68 114.80 1xnn s LEU 762 Ca 0.38 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 1xnn s LEU 762 Cb 0.07 -2.41 0.11 0.00 0.03 0.00 0.00 46.19 43.99 1xnn s LEU 762 CO 0.15 -0.54 1.96 0.00 0.23 0.00 0.00 176.35 178.14 1xnn n TYR 763 N 5.61 3.47 -0.30 0.29 9.36 -1.26 -0.18 117.16 134.15 1xnn n TYR 763 Ca -0.07 -2.91 -0.05 0.00 3.32 0.00 0.00 57.90 58.19 1xnn n TYR 763 Cb 0.48 -2.25 0.07 0.00 -0.63 0.00 0.00 39.34 37.01 1xnn n TYR 763 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1xnn h PHE 764 N 6.09 1.07 -3.09 2.98 -1.00 -1.84 -3.42 116.94 117.73 1xnn h PHE 764 Ca 0.46 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.22 1xnn h PHE 764 Cb 0.67 -0.35 -0.11 0.00 3.61 0.00 0.00 35.95 39.77 1xnn h PHE 764 CO 1.33 0.72 0.15 0.00 -1.61 0.00 0.00 178.31 178.91 1xnn s ALA 765 N -5.94 -1.37 0.42 2.45 0.00 -0.99 -4.98 121.76 111.35 1xnn s ALA 765 Ca -0.13 0.21 0.13 0.00 0.00 0.00 0.00 51.96 52.17 1xnn s ALA 765 Cb 0.16 0.86 1.00 0.00 0.00 0.00 0.00 23.12 25.13 1xnn s ALA 765 CO 0.80 -0.80 1.96 -1.35 0.00 0.00 0.00 175.76 176.38 1xnn h PRO 766 N 2.07 0.44 -0.54 0.00 0.11 -1.89 -1.15 132.00 131.05 1xnn h PRO 766 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xnn h PRO 766 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xnn h PRO 766 CO 0.37 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 1xnn n ASP 767 N -4.47 4.95 -2.99 -2.05 5.75 -1.26 -4.63 116.55 111.84 1xnn n ASP 767 Ca 0.11 -2.73 -0.14 0.00 -0.01 0.00 0.00 54.79 52.02 1xnn n ASP 767 Cb 0.40 -0.60 -0.02 0.00 -1.03 0.00 0.00 41.12 39.86 1xnn n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1xnn n LEU 768 N 0.61 -2.02 -4.64 -2.12 7.94 -0.43 -4.46 117.00 111.88 1xnn n LEU 768 Ca 0.25 -3.65 -0.35 0.00 -1.11 0.00 0.00 56.01 51.15 1xnn n LEU 768 Cb 1.00 0.70 -0.10 0.00 0.53 0.00 0.00 43.42 45.56 1xnn n LEU 768 CO 0.25 1.95 -0.23 -0.69 -1.11 0.00 0.00 177.39 177.56 1xnn s VAL 769 N 0.32 4.93 -0.24 1.96 1.01 -1.24 -2.35 120.40 124.79 1xnn s VAL 769 Ca 0.32 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 1xnn s VAL 769 Cb 0.08 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1xnn s VAL 769 CO -0.14 0.43 0.50 -0.36 0.00 0.00 0.00 175.10 175.53 1xnn s PHE 770 N 0.58 3.31 0.57 5.22 0.40 0.75 -4.94 117.98 123.88 1xnn s PHE 770 Ca 0.05 0.67 0.08 0.00 -0.60 0.00 0.00 56.93 57.13 1xnn s PHE 770 Cb -0.13 -2.68 0.10 0.00 0.51 0.00 0.00 43.02 40.82 1xnn s PHE 770 CO 0.01 -0.20 0.78 0.27 0.70 0.00 0.00 175.22 176.79 1xnn n ASN 771 N 5.19 1.93 0.24 1.36 0.23 -1.26 -1.59 115.26 121.35 1xnn n ASN 771 Ca -0.05 -2.42 0.09 0.00 -0.53 0.00 0.00 54.58 51.66 1xnn n ASN 771 Cb 0.50 -0.43 0.59 0.00 -2.08 0.00 0.00 39.78 38.36 1xnn n ASN 771 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xnn h GLU 772 N 0.00 0.00 -0.46 -3.83 5.08 -1.97 -1.77 114.58 111.63 1xnn h GLU 772 Ca -0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.99 1xnn h GLU 772 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1xnn h GLU 772 CO 0.36 0.19 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.50 1xnn h TYR 773 N 0.00 1.02 0.00 4.33 3.20 -1.99 -2.36 116.97 121.17 1xnn h TYR 773 Ca -0.00 -0.23 -0.13 0.00 3.14 0.00 0.00 58.73 61.51 1xnn h TYR 773 Cb 0.40 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1xnn h TYR 773 CO 0.00 1.01 -0.64 0.00 -1.64 0.00 0.00 178.16 176.89 1xnn h ARG 774 N 0.74 0.00 -0.57 1.82 -0.00 -1.87 -0.19 114.38 114.31 1xnn h ARG 774 Ca 0.11 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.58 1xnn h ARG 774 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.64 1xnn h ARG 774 CO 0.05 0.64 0.31 0.52 0.00 0.00 0.00 179.97 181.48 1xnn h MET 775 N 0.00 0.79 -0.10 0.04 2.86 -1.21 -0.77 114.93 116.54 1xnn h MET 775 Ca -0.01 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1xnn h MET 775 Cb 1.31 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1xnn h MET 775 CO 0.08 0.61 -0.30 1.25 1.06 0.00 0.00 176.91 179.61 1xnn h HIS 776 N 0.76 0.49 0.00 -0.22 -0.00 -1.29 -2.57 115.15 112.32 1xnn h HIS 776 Ca 0.20 -0.20 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1xnn h HIS 776 Cb 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1xnn h HIS 776 CO -0.01 0.92 -0.27 0.87 -0.00 0.00 0.00 177.93 179.43 1xnn h LYS 777 N -0.07 0.00 0.00 5.26 1.79 -0.97 -1.82 116.57 120.75 1xnn h LYS 777 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1xnn h LYS 777 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1xnn h LYS 777 CO 0.06 0.27 0.00 0.66 -1.08 0.00 0.00 179.45 179.36 1xnn h SER 778 N 0.00 0.00 -0.57 0.86 4.64 -1.18 -3.35 113.55 113.95 1xnn h SER 778 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1xnn h SER 778 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.51 1xnn h SER 778 CO 0.03 0.00 -0.20 0.54 -0.87 0.00 0.00 176.83 176.34 1xnn n ARG 779 N -2.36 -0.73 -0.49 4.77 1.74 -0.69 -4.88 116.66 114.02 1xnn n ARG 779 Ca 0.04 0.84 0.06 0.00 -0.77 0.00 0.00 57.85 58.01 1xnn n ARG 779 Cb 0.34 -4.79 0.19 0.00 -1.02 0.00 0.00 32.46 27.19 1xnn n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1xnn n MET 780 N -2.65 1.61 -0.05 5.56 2.81 -1.14 -4.87 117.12 118.39 1xnn n MET 780 Ca -0.10 -3.08 -0.09 0.00 -1.81 0.00 0.00 57.70 52.61 1xnn n MET 780 Cb 0.36 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 1xnn n MET 780 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1xnn h TYR 781 N 0.78 -0.89 -0.68 2.03 3.20 -1.77 0.23 116.97 119.87 1xnn h TYR 781 Ca 0.03 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1xnn h TYR 781 Cb 1.12 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.78 1xnn h TYR 781 CO 0.59 -0.39 0.37 0.66 -1.64 0.00 0.00 178.16 177.75 1xnn h SER 782 N -0.33 0.83 -0.39 -2.11 4.64 -1.90 0.19 113.55 114.48 1xnn h SER 782 Ca 0.13 -0.06 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 1xnn h SER 782 Cb 0.54 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1xnn h SER 782 CO -0.43 0.67 -0.04 1.56 -0.87 0.00 0.00 176.83 177.72 1xnn h GLN 783 N 0.94 0.71 -0.30 4.77 7.50 -1.74 -2.42 115.11 124.57 1xnn h GLN 783 Ca 0.24 -0.25 -0.06 0.00 0.50 0.00 0.00 58.65 59.08 1xnn h GLN 783 Cb 0.02 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.48 1xnn h GLN 783 CO -0.04 0.83 -0.09 0.00 -1.50 0.00 0.00 178.83 178.03 1xnn h VAL 785 N 0.47 1.16 0.07 0.00 2.07 -0.47 0.15 116.25 119.69 1xnn h VAL 785 Ca 0.09 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1xnn h VAL 785 Cb 0.44 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1xnn h VAL 785 CO 0.02 0.17 -0.05 0.03 0.02 0.00 0.00 177.57 177.77 1xnn h ARG 786 N 0.53 -0.11 -0.60 1.57 2.47 -1.08 -1.60 114.38 115.54 1xnn h ARG 786 Ca 0.14 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1xnn h ARG 786 Cb 0.08 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.39 1xnn h ARG 786 CO -0.02 -0.08 0.37 0.52 0.56 0.00 0.00 179.97 181.32 1xnn h MET 787 N -0.12 0.81 -0.79 0.04 2.86 -1.07 -1.83 114.93 114.84 1xnn h MET 787 Ca -0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1xnn h MET 787 Cb 0.10 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 1xnn h MET 787 CO 0.00 0.58 0.43 -0.09 1.06 0.00 0.00 176.91 178.89 1xnn h ARG 788 N 0.82 1.09 -0.74 1.72 2.43 -0.57 -1.36 114.38 117.77 1xnn h ARG 788 Ca 0.22 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1xnn h ARG 788 Cb -0.04 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.26 1xnn h ARG 788 CO -0.04 0.80 0.48 1.25 -1.51 0.00 0.00 179.97 180.95 1xnn h HIS 789 N 1.10 0.90 -0.43 2.20 2.76 -0.71 -1.23 115.15 119.74 1xnn h HIS 789 Ca 0.28 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.50 1xnn h HIS 789 Cb 0.02 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.65 1xnn h HIS 789 CO 0.01 0.54 0.22 1.25 -1.30 0.00 0.00 177.93 178.65 1xnn h LEU 790 N 0.96 0.32 -1.16 0.26 5.85 -0.50 -1.66 115.31 119.37 1xnn h LEU 790 Ca 0.28 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.05 1xnn h LEU 790 Cb -0.05 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1xnn h LEU 790 CO -0.08 0.23 0.57 0.28 -0.34 0.00 0.00 178.44 179.10 1xnn h SER 791 N 0.44 0.96 -0.26 1.25 0.02 -0.61 -1.56 113.55 113.79 1xnn h SER 791 Ca 0.19 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1xnn h SER 791 Cb 0.09 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1xnn h SER 791 CO -0.13 0.67 -0.03 1.56 -1.14 0.00 0.00 176.83 177.76 1xnn h GLN 792 N 1.12 0.61 -0.65 3.45 4.20 -0.56 -2.52 115.11 120.77 1xnn h GLN 792 Ca 0.33 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.94 1xnn h GLN 792 Cb -0.05 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1xnn h GLN 792 CO -0.09 0.65 0.43 0.93 -0.67 0.00 0.00 178.83 180.08 1xnn h GLU 793 N 0.57 0.68 -0.19 1.46 4.39 -0.38 0.20 114.58 121.31 1xnn h GLU 793 Ca 0.12 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1xnn h GLU 793 Cb 0.41 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1xnn h GLU 793 CO 0.02 0.45 0.14 0.74 -1.16 0.00 0.00 179.01 179.19 1xnn h PHE 794 N 0.70 0.05 0.12 4.33 0.04 -1.33 -0.43 116.94 120.41 1xnn h PHE 794 Ca 0.27 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.74 1xnn h PHE 794 Cb 0.18 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1xnn h PHE 794 CO -0.00 0.03 -1.55 0.78 -0.60 0.00 0.00 178.31 176.97 1xnn h GLY 795 N 0.05 0.29 1.28 -1.45 0.00 -1.10 -1.15 103.07 100.99 1xnn h GLY 795 Ca 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1xnn h GLY 795 CO -0.01 0.64 0.39 1.49 0.00 0.00 0.00 176.54 179.06 1xnn h TRP 796 N -0.23 0.93 -0.01 5.60 6.55 -0.89 -2.18 115.95 125.72 1xnn h TRP 796 Ca -0.33 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.50 1xnn h TRP 796 Cb 1.82 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 29.82 1xnn h TRP 796 CO 0.11 0.64 -0.27 1.28 -1.05 0.00 0.00 178.44 179.15 1xnn n LEU 797 N -4.38 1.00 -3.56 -4.49 4.77 -0.20 -4.97 117.00 105.17 1xnn n LEU 797 Ca 0.07 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 1xnn n LEU 797 Cb 0.09 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 1xnn n LEU 797 CO 0.37 0.19 -0.04 0.00 -1.33 0.00 0.00 177.39 176.59 1xnn n GLN 798 N -0.70 -2.93 -2.53 3.23 6.02 -0.82 -4.91 117.38 114.73 1xnn n GLN 798 Ca 0.12 0.64 -0.42 0.00 -0.01 0.00 0.00 57.00 57.33 1xnn n GLN 798 Cb 0.35 -5.01 -0.03 0.00 1.02 0.00 0.00 30.24 26.57 1xnn n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xnn s ILE 799 N -3.51 4.36 0.55 5.09 1.01 -0.45 -5.03 121.20 123.23 1xnn s ILE 799 Ca 0.29 1.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.53 1xnn s ILE 799 Cb -0.08 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1xnn s ILE 799 CO 0.81 0.11 0.95 0.42 0.00 0.00 0.00 174.94 177.22 1xnn s THR 800 N 1.25 4.73 0.33 2.92 -4.23 -1.26 -4.90 115.64 114.48 1xnn s THR 800 Ca 0.56 0.77 0.06 0.00 -1.18 0.00 0.00 61.69 61.89 1xnn s THR 800 Cb -0.26 -3.83 0.30 0.00 1.34 0.00 0.00 72.50 70.06 1xnn s THR 800 CO 0.27 -0.95 1.88 -0.65 -0.54 0.00 0.00 174.62 174.63 1xnn h PRO 801 N 0.15 0.80 -0.51 3.99 0.11 -1.99 -1.07 132.00 133.47 1xnn h PRO 801 Ca -0.45 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1xnn h PRO 801 Cb 1.19 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1xnn h PRO 801 CO 0.62 0.53 0.05 1.96 -0.21 0.00 0.00 178.00 180.94 1xnn h GLN 802 N 0.82 0.88 -0.56 1.05 7.50 -2.00 -1.80 115.11 121.01 1xnn h GLN 802 Ca 0.44 -0.26 -0.10 0.00 0.50 0.00 0.00 58.65 59.23 1xnn h GLN 802 Cb 0.54 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.96 1xnn h GLN 802 CO -0.20 0.88 -0.06 0.93 -1.50 0.00 0.00 178.83 178.89 1xnn h GLU 803 N 0.75 1.01 0.06 1.46 5.08 -1.74 -2.40 114.58 118.80 1xnn h GLU 803 Ca 0.15 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1xnn h GLU 803 Cb 0.46 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1xnn h GLU 803 CO 0.02 1.02 -0.16 0.35 -1.00 0.00 0.00 179.01 179.23 1xnn h PHE 804 N 0.91 -0.42 -0.87 4.33 3.57 -0.96 0.00 116.94 123.49 1xnn h PHE 804 Ca 0.15 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1xnn h PHE 804 Cb 0.60 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 1xnn h PHE 804 CO 0.04 -0.24 0.55 -0.07 -2.23 0.00 0.00 178.31 176.36 1xnn h LEU 805 N -0.30 0.87 -0.56 0.59 3.38 -1.22 -0.09 115.31 117.99 1xnn h LEU 805 Ca 0.04 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1xnn h LEU 805 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xnn h LEU 805 CO -0.12 0.56 -0.59 0.00 0.09 0.00 0.00 178.44 178.39 1xnn h MET 807 N 0.31 0.81 -0.84 0.00 2.86 -0.45 -1.94 114.93 115.68 1xnn h MET 807 Ca -0.00 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 1xnn h MET 807 Cb 1.12 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 1xnn h MET 807 CO 0.10 1.04 0.43 -0.22 1.06 0.00 0.00 176.91 179.32 1xnn h LYS 808 N 0.59 1.19 -0.20 1.72 3.64 -0.98 0.37 116.57 122.91 1xnn h LYS 808 Ca 0.06 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xnn h LYS 808 Cb 0.88 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1xnn h LYS 808 CO 0.08 0.90 0.12 0.00 -2.27 0.00 0.00 179.45 178.27 1xnn h ALA 809 N 1.23 0.25 -0.25 5.00 0.00 -1.33 -2.26 119.26 121.89 1xnn h ALA 809 Ca 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1xnn h ALA 809 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xnn h ALA 809 CO -0.04 -0.25 0.05 1.25 0.00 0.00 0.00 179.25 180.25 1xnn h LEU 810 N 0.24 0.33 -1.79 0.00 5.85 -0.82 -2.32 115.31 116.81 1xnn h LEU 810 Ca 0.07 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xnn h LEU 810 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1xnn h LEU 810 CO -0.01 0.35 0.16 -0.07 -0.34 0.00 0.00 178.44 178.52 1xnn h LEU 811 N 0.36 0.24 -1.92 2.25 3.38 -0.33 -1.26 115.31 118.04 1xnn h LEU 811 Ca 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1xnn h LEU 811 Cb 0.17 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xnn h LEU 811 CO -0.00 0.18 -0.12 0.25 0.09 0.00 0.00 178.44 178.83 1xnn h LEU 812 N 0.29 0.00 -3.78 1.67 5.85 -1.28 -2.71 115.31 115.35 1xnn h LEU 812 Ca 0.09 0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.35 1xnn h LEU 812 Cb 0.02 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 40.79 1xnn h LEU 812 CO -0.02 0.12 0.33 0.49 -0.34 0.00 0.00 178.44 179.02 1xnn n PHE 813 N -3.71 2.47 -0.89 1.25 3.72 -0.48 -4.60 117.46 115.22 1xnn n PHE 813 Ca -0.02 -2.09 0.08 0.00 -0.05 0.00 0.00 57.45 55.37 1xnn n PHE 813 Cb 0.23 -0.87 0.17 0.00 -0.94 0.00 0.00 39.48 38.07 1xnn n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1xnn n SER 814 N -1.05 2.85 -3.63 4.37 7.64 -1.02 -4.94 113.62 117.83 1xnn n SER 814 Ca 0.51 -2.90 -0.05 0.00 1.01 0.00 0.00 58.87 57.44 1xnn n SER 814 Cb 1.18 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 63.90 1xnn n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1xnn s ILE 815 N -2.57 -0.82 0.15 0.44 2.07 -1.26 -0.25 121.20 118.96 1xnn s ILE 815 Ca 0.32 0.08 -0.07 0.00 -1.41 0.00 0.00 60.65 59.57 1xnn s ILE 815 Cb 0.26 -0.84 -0.02 0.00 0.13 0.00 0.00 42.46 42.00 1xnn s ILE 815 CO 0.05 0.03 0.22 0.27 -1.91 0.00 0.00 174.94 173.60 1xnn s ILE 816 N 2.75 0.08 0.32 2.00 -4.36 -0.86 -4.81 121.20 116.32 1xnn s ILE 816 Ca -0.02 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.54 1xnn s ILE 816 Cb -0.12 -1.90 -0.11 0.00 1.25 0.00 0.00 42.46 41.59 1xnn s ILE 816 CO -0.16 -0.35 1.45 -2.84 0.24 0.00 0.00 174.94 173.28 1xnn s PRO 817 N -3.99 4.21 0.58 0.37 0.02 -1.26 -0.94 135.00 133.99 1xnn s PRO 817 Ca 0.19 2.42 0.33 0.00 0.02 0.00 0.00 61.00 63.96 1xnn s PRO 817 Cb 0.05 -3.04 1.80 0.00 0.02 0.00 0.00 34.50 33.33 1xnn s PRO 817 CO 0.00 -0.44 2.19 -0.24 -0.33 0.00 0.00 177.00 178.19 1xnn h VAL 818 N 3.19 0.37 -0.49 3.83 3.04 -1.13 -0.48 116.25 124.58 1xnn h VAL 818 Ca -0.49 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1xnn h VAL 818 Cb 1.23 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1xnn h VAL 818 CO 0.70 0.04 0.00 -0.90 -1.01 0.00 0.00 177.57 176.41 1xnn n ASP 819 N -3.52 2.98 0.00 3.17 5.75 -1.26 -5.05 116.55 118.62 1xnn n ASP 819 Ca -0.02 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 1xnn n ASP 819 Cb 0.16 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1xnn n ASP 819 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xnn n GLY 820 N 1.15 -2.01 3.99 6.12 0.00 -0.19 -5.02 105.19 109.22 1xnn n GLY 820 Ca 0.17 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1xnn n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnn s LEU 821 N -4.36 3.48 0.56 0.99 1.43 -1.26 -4.68 118.68 114.84 1xnn s LEU 821 Ca 0.00 -0.16 0.25 0.00 -1.03 0.00 0.00 54.13 53.18 1xnn s LEU 821 Cb 0.00 -2.80 1.55 0.00 0.03 0.00 0.00 46.19 44.97 1xnn s LEU 821 CO 0.00 -0.93 2.14 0.11 0.23 0.00 0.00 176.35 177.90 1xnn h LYS 822 N 0.35 0.00 -1.94 1.70 1.57 -1.97 -3.19 116.57 113.10 1xnn h LYS 822 Ca -0.42 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.84 1xnn h LYS 822 Cb 1.29 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.24 1xnn h LYS 822 CO 0.50 0.00 -0.98 -1.71 -0.57 0.00 0.00 179.45 176.68 1xnn n ASN 823 N -4.12 -0.49 -0.18 0.86 2.85 -1.26 -5.01 115.26 107.90 1xnn n ASN 823 Ca -0.00 -2.63 -0.00 0.00 -0.11 0.00 0.00 54.58 51.84 1xnn n ASN 823 Cb 0.22 -0.30 0.09 0.00 1.24 0.00 0.00 39.78 41.03 1xnn n ASN 823 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1xnn h GLN 824 N 4.66 0.16 -0.98 1.20 1.08 -1.95 -2.79 115.11 116.50 1xnn h GLN 824 Ca 0.13 -0.01 0.18 0.00 -1.45 0.00 0.00 58.65 57.49 1xnn h GLN 824 Cb 0.91 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 28.21 1xnn h GLN 824 CO 0.39 0.10 0.61 0.87 -0.95 0.00 0.00 178.83 179.86 1xnn h LYS 825 N 0.16 0.73 -0.41 1.46 1.57 -1.95 -0.46 116.57 117.68 1xnn h LYS 825 Ca 0.29 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1xnn h LYS 825 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1xnn h LYS 825 CO -0.44 0.48 -0.19 0.74 -0.57 0.00 0.00 179.45 179.47 1xnn h PHE 826 N 0.75 0.98 -0.73 -1.35 0.04 -1.87 -2.29 116.94 112.47 1xnn h PHE 826 Ca 0.54 -0.24 -0.03 0.00 2.80 0.00 0.00 57.97 61.04 1xnn h PHE 826 Cb 0.85 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 1xnn h PHE 826 CO -0.00 1.01 0.35 0.35 -0.60 0.00 0.00 178.31 179.41 1xnn h PHE 827 N 0.67 1.05 -0.36 -0.55 3.57 -1.18 -1.42 116.94 118.71 1xnn h PHE 827 Ca 0.09 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1xnn h PHE 827 Cb 0.74 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1xnn h PHE 827 CO 0.06 0.77 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.39 1xnn h ASP 828 N 1.02 0.58 -0.21 0.41 3.45 -1.05 0.35 116.42 120.97 1xnn h ASP 828 Ca 0.25 -0.15 -0.19 0.00 0.43 0.00 0.00 57.03 57.37 1xnn h ASP 828 Cb 0.12 -0.15 0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1xnn h ASP 828 CO -0.03 0.71 -0.62 -0.08 -1.57 0.00 0.00 179.24 177.64 1xnn h GLU 829 N 0.56 0.79 -0.37 3.56 4.57 -1.14 -2.06 114.58 120.48 1xnn h GLU 829 Ca 0.11 -0.57 -0.11 0.00 -1.18 0.00 0.00 59.36 57.61 1xnn h GLU 829 Cb 0.48 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1xnn h GLU 829 CO 0.03 1.19 -0.19 1.25 -1.18 0.00 0.00 179.01 180.11 1xnn h LEU 830 N 0.53 0.81 -0.31 1.64 5.85 -1.06 -2.14 115.31 120.63 1xnn h LEU 830 Ca -0.02 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1xnn h LEU 830 Cb 1.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1xnn h LEU 830 CO 0.13 1.04 0.14 -0.09 -0.34 0.00 0.00 178.44 179.32 1xnn h ARG 831 N 0.58 0.45 -0.96 1.25 2.43 -0.96 -2.32 114.38 114.85 1xnn h ARG 831 Ca 0.08 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1xnn h ARG 831 Cb 0.74 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 1xnn h ARG 831 CO 0.06 0.43 0.62 1.98 -1.51 0.00 0.00 179.97 181.54 1xnn h MET 832 N 0.36 1.01 -0.03 0.20 4.05 -1.30 -1.42 114.93 117.80 1xnn h MET 832 Ca 0.11 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 1xnn h MET 832 Cb 0.13 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 1xnn h MET 832 CO -0.01 0.67 -0.52 -0.91 0.23 0.00 0.00 176.91 176.36 1xnn h ASN 833 N 1.04 0.10 1.08 1.39 -0.26 -1.10 -2.21 115.58 115.63 1xnn h ASN 833 Ca 0.44 -0.05 -0.16 0.00 -0.56 0.00 0.00 56.30 55.97 1xnn h ASN 833 Cb 0.31 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 1xnn h ASN 833 CO -0.19 0.61 -0.74 1.88 -1.06 0.00 0.00 177.43 177.93 1xnn h TYR 834 N 0.07 0.00 -0.32 1.19 0.05 -0.83 -2.23 116.97 114.91 1xnn h TYR 834 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1xnn h TYR 834 Cb 0.95 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1xnn h TYR 834 CO 0.01 0.74 -0.13 0.82 -1.05 0.00 0.00 178.16 178.55 1xnn h ILE 835 N 0.00 1.29 0.00 -2.88 2.04 -1.08 -2.26 117.51 114.61 1xnn h ILE 835 Ca -0.01 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 1xnn h ILE 835 Cb 1.48 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1xnn h ILE 835 CO 0.10 0.40 -0.24 0.11 0.00 0.00 0.00 178.15 178.52 1xnn h LYS 836 N 0.43 0.00 -0.33 2.37 1.79 -1.36 -1.24 116.57 118.23 1xnn h LYS 836 Ca 0.08 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.37 1xnn h LYS 836 Cb 0.65 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1xnn h LYS 836 CO 0.04 0.24 -0.48 0.93 -1.08 0.00 0.00 179.45 179.10 1xnn h GLU 837 N 0.00 0.91 -0.61 3.15 4.39 -1.17 -1.93 114.58 119.31 1xnn h GLU 837 Ca -0.00 -0.54 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 1xnn h GLU 837 Cb 0.46 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1xnn h GLU 837 CO 0.03 1.18 0.13 1.25 -1.16 0.00 0.00 179.01 180.44 1xnn h LEU 838 N 0.71 0.91 -1.13 1.33 5.85 -0.83 -1.09 115.31 121.06 1xnn h LEU 838 Ca 0.03 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1xnn h LEU 838 Cb 1.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1xnn h LEU 838 CO 0.11 0.89 0.12 -0.78 -0.34 0.00 0.00 178.44 178.45 1xnn h ASP 839 N 0.92 0.68 -0.09 1.25 3.58 -1.11 -2.82 116.42 118.83 1xnn h ASP 839 Ca 0.19 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 1xnn h ASP 839 Cb 0.35 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1xnn h ASP 839 CO 0.00 0.67 -0.19 0.03 -2.88 0.00 0.00 179.24 176.87 1xnn h ARG 840 N 0.71 0.29 0.00 0.28 3.08 -0.73 -1.74 114.38 116.27 1xnn h ARG 840 Ca 0.16 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1xnn h ARG 840 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1xnn h ARG 840 CO -0.00 0.79 0.00 0.97 -1.07 0.00 0.00 179.97 180.66 1xnn h ILE 841 N -0.18 0.00 0.10 2.04 6.09 -1.11 0.56 117.51 125.01 1xnn h ILE 841 Ca 0.00 -0.05 -0.37 0.00 -1.37 0.00 0.00 64.86 63.07 1xnn h ILE 841 Cb 0.79 0.73 -0.03 0.00 0.47 0.00 0.00 36.82 38.78 1xnn h ILE 841 CO 0.04 0.00 -2.09 -0.38 -3.07 0.00 0.00 178.15 172.65 1xnn n ILE 842 N -2.52 1.72 -0.11 2.19 5.41 -1.08 -4.43 119.36 120.54 1xnn n ILE 842 Ca -0.01 -0.63 -0.12 0.00 1.00 0.00 0.00 62.75 62.98 1xnn n ILE 842 Cb 0.08 -1.67 -0.03 0.00 -0.71 0.00 0.00 39.64 37.30 1xnn n ILE 842 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xnn h ALA 843 N 0.05 0.49 -2.15 -1.39 0.00 -0.30 -3.36 119.26 112.60 1xnn h ALA 843 Ca -0.46 -0.37 -0.55 0.00 0.00 0.00 0.00 54.91 53.53 1xnn h ALA 843 Cb 2.00 -0.11 0.21 0.00 0.00 0.00 0.00 17.79 19.89 1xnn h ALA 843 CO 0.05 0.44 -1.08 0.00 0.00 0.00 0.00 179.25 178.67 1xnn n LYS 845 N 0.48 0.00 0.01 0.00 0.00 -1.26 -3.93 118.16 113.46 1xnn n LYS 845 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1xnn n LYS 845 Cb 0.53 -0.90 0.00 0.00 -0.00 0.00 0.00 35.03 34.66 1xnn n LYS 845 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1xnn n ARG 846 N 4.99 0.00 0.00 -1.58 -4.01 -1.26 -5.12 116.66 109.68 1xnn n ARG 846 Ca 0.38 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.19 1xnn n ARG 846 Cb 0.01 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.43 1xnn n ARG 846 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1xnn n LYS 847 N -2.79 2.51 0.06 2.89 4.76 -1.25 -5.06 118.16 119.27 1xnn n LYS 847 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1xnn n LYS 847 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1xnn n LYS 847 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xnn n ASN 848 N 0.00 -1.09 -3.06 4.39 2.04 -1.26 -5.16 115.26 111.12 1xnn n ASN 848 Ca 0.00 0.52 -0.07 0.00 -0.44 0.00 0.00 54.58 54.60 1xnn n ASN 848 Cb 0.00 1.33 0.06 0.00 -2.53 0.00 0.00 39.78 38.64 1xnn n ASN 848 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1xnn n PRO 849 N -2.97 -2.44 0.02 -0.53 -0.04 -1.26 -4.98 135.00 122.81 1xnn n PRO 849 Ca 0.00 -0.31 -0.19 0.00 -0.04 0.00 0.00 63.50 62.95 1xnn n PRO 849 Cb 0.00 -0.42 -0.14 0.00 -0.04 0.00 0.00 33.50 32.90 1xnn n PRO 849 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xnn h THR 850 N -2.32 0.79 -3.54 0.52 1.03 -2.07 -3.42 112.91 103.89 1xnn h THR 850 Ca -0.09 -2.48 -0.71 0.00 -0.01 0.00 0.00 66.41 63.12 1xnn h THR 850 Cb 0.29 2.58 -0.34 0.00 -1.07 0.00 0.00 68.15 69.62 1xnn h THR 850 CO 0.05 0.83 -0.34 -0.55 -0.01 0.00 0.00 175.52 175.50 1xnn s SER 851 N -6.96 5.46 -0.08 0.00 0.15 -1.26 -4.92 113.70 106.08 1xnn s SER 851 Ca -0.17 -2.64 0.00 0.00 0.70 0.00 0.00 55.95 53.84 1xnn s SER 851 Cb 0.07 -1.91 0.09 0.00 -1.71 0.00 0.00 66.02 62.56 1xnn s SER 851 CO 0.81 -0.45 1.49 0.00 1.20 0.00 0.00 173.24 176.29 1xnn h SER 853 N 0.55 0.00 -0.10 0.00 0.02 -1.99 -3.20 113.55 108.83 1xnn h SER 853 Ca 0.10 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1xnn h SER 853 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1xnn h SER 853 CO 0.20 0.00 -0.18 -0.09 -1.14 0.00 0.00 176.83 175.62 1xnn h ARG 854 N 0.00 0.29 -0.43 3.45 1.12 -1.99 -0.20 114.38 116.62 1xnn h ARG 854 Ca 0.00 -0.18 -0.14 0.00 -1.11 0.00 0.00 59.98 58.54 1xnn h ARG 854 Cb 0.56 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.54 1xnn h ARG 854 CO 0.00 0.77 -0.30 -0.09 -3.11 0.00 0.00 179.97 177.24 1xnn h ARG 855 N -0.15 0.95 -0.51 0.20 1.12 -1.91 -2.18 114.38 111.90 1xnn h ARG 855 Ca 0.01 -0.45 -0.10 0.00 -1.11 0.00 0.00 59.98 58.32 1xnn h ARG 855 Cb 0.75 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 1xnn h ARG 855 CO 0.04 1.11 -0.08 0.35 -3.11 0.00 0.00 179.97 178.28 1xnn h PHE 856 N 0.80 1.07 -0.36 2.20 3.57 -1.62 -2.40 116.94 120.19 1xnn h PHE 856 Ca 0.09 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1xnn h PHE 856 Cb 0.88 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1xnn h PHE 856 CO 0.06 1.00 0.15 -0.92 -2.23 0.00 0.00 178.31 176.37 1xnn h TYR 857 N 0.82 0.27 -0.01 0.41 3.20 -0.86 -1.05 116.97 119.75 1xnn h TYR 857 Ca 0.13 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 1xnn h TYR 857 Cb 0.63 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1xnn h TYR 857 CO 0.05 0.13 -0.63 -0.56 -1.64 0.00 0.00 178.16 175.51 1xnn h GLN 858 N 0.32 0.05 -0.33 1.82 3.07 -1.33 -1.73 115.11 116.97 1xnn h GLN 858 Ca 0.16 -0.03 -0.15 0.00 0.09 0.00 0.00 58.65 58.72 1xnn h GLN 858 Cb 0.11 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.67 1xnn h GLN 858 CO -0.14 0.66 -0.37 -0.07 0.09 0.00 0.00 178.83 179.00 1xnn h LEU 859 N 0.03 0.90 -1.08 0.06 3.38 -1.17 -0.63 115.31 116.79 1xnn h LEU 859 Ca -0.01 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 1xnn h LEU 859 Cb 1.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1xnn h LEU 859 CO 0.08 1.20 -0.20 0.71 0.09 0.00 0.00 178.44 180.32 1xnn h THR 860 N 0.62 1.24 -0.51 0.22 1.35 -1.12 -1.49 112.91 113.23 1xnn h THR 860 Ca 0.05 -1.11 -0.12 0.00 -0.55 0.00 0.00 66.41 64.68 1xnn h THR 860 Cb 0.96 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1xnn h THR 860 CO 0.09 0.35 -0.15 0.11 -0.25 0.00 0.00 175.52 175.68 1xnn h LYS 861 N 0.37 0.99 -0.70 4.72 1.79 -1.12 -1.94 116.57 120.69 1xnn h LYS 861 Ca 0.06 -0.39 -0.07 0.00 -2.18 0.00 0.00 60.65 58.07 1xnn h LYS 861 Cb 0.56 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 1xnn h LYS 861 CO 0.04 1.07 0.17 1.25 -1.08 0.00 0.00 179.45 180.89 1xnn h LEU 862 N 0.86 1.05 -0.61 2.94 5.85 -0.67 -1.78 115.31 122.95 1xnn h LEU 862 Ca 0.13 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 1xnn h LEU 862 Cb 0.72 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1xnn h LEU 862 CO 0.05 1.01 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.97 1xnn h LEU 863 N 1.06 0.97 -1.33 2.25 3.38 -1.17 -2.72 115.31 117.74 1xnn h LEU 863 Ca 0.22 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xnn h LEU 863 Cb 0.37 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1xnn h LEU 863 CO 0.00 1.09 0.33 0.44 0.09 0.00 0.00 178.44 180.40 1xnn h ASP 864 N 0.85 0.70 0.53 -0.43 5.19 -1.14 -2.37 116.42 119.75 1xnn h ASP 864 Ca 0.13 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1xnn h ASP 864 Cb 0.68 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1xnn h ASP 864 CO 0.05 0.55 0.00 -1.54 -3.12 0.00 0.00 179.24 175.18 1xnn n SER 865 N -4.40 0.62 0.03 6.45 3.41 -0.69 -2.66 113.62 116.38 1xnn n SER 865 Ca 0.05 0.68 -0.18 0.00 -0.26 0.00 0.00 58.87 59.17 1xnn n SER 865 Cb 0.09 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.15 1xnn n SER 865 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xnn h VAL 866 N 0.00 1.30 -0.42 -3.33 2.07 -1.43 -3.34 116.25 111.10 1xnn h VAL 866 Ca 0.00 -2.20 0.08 0.00 0.82 0.00 0.00 66.70 65.40 1xnn h VAL 866 Cb 0.27 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.23 1xnn h VAL 866 CO 0.00 0.68 -0.03 1.56 0.02 0.00 0.00 177.57 179.80 1xnn h GLN 867 N 0.40 0.08 -0.29 1.57 1.08 -1.63 0.53 115.11 116.85 1xnn h GLN 867 Ca -0.10 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1xnn h GLN 867 Cb 1.59 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.98 1xnn h GLN 867 CO 0.18 0.05 -0.00 -1.35 -0.95 0.00 0.00 178.83 176.76 1xnn h PRO 868 N 0.08 0.44 -0.15 1.46 0.11 -1.72 -1.05 132.00 131.17 1xnn h PRO 868 Ca 0.21 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1xnn h PRO 868 Cb 0.31 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1xnn h PRO 868 CO -0.37 0.47 -0.15 0.82 -0.21 0.00 0.00 178.00 178.56 1xnn h ILE 869 N 0.43 1.34 -0.96 4.15 2.04 -1.46 -2.47 117.51 120.57 1xnn h ILE 869 Ca 0.10 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.71 1xnn h ILE 869 Cb 0.29 1.86 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1xnn h ILE 869 CO 0.01 0.38 0.62 0.00 0.00 0.00 0.00 178.15 179.16 1xnn h ALA 870 N 0.62 1.31 -0.79 1.87 0.00 -0.68 -1.51 119.26 120.08 1xnn h ALA 870 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xnn h ALA 870 Cb 0.67 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1xnn h ALA 870 CO 0.04 0.45 0.44 -0.09 0.00 0.00 0.00 179.25 180.09 1xnn h ARG 871 N 1.17 1.11 -0.28 0.00 9.65 -1.11 0.28 114.38 125.20 1xnn h ARG 871 Ca 0.40 -0.13 -0.10 0.00 -1.10 0.00 0.00 59.98 59.05 1xnn h ARG 871 Cb 0.09 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 1xnn h ARG 871 CO -0.15 0.82 -0.26 0.93 2.80 0.00 0.00 179.97 184.11 1xnn h GLU 872 N 1.10 0.54 -0.17 0.20 4.39 -0.88 -1.25 114.58 118.51 1xnn h GLU 872 Ca 0.28 -0.21 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 1xnn h GLU 872 Cb 0.03 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1xnn h GLU 872 CO -0.04 0.76 -0.54 -0.07 -1.16 0.00 0.00 179.01 177.96 1xnn h LEU 873 N 0.48 0.54 -0.27 1.33 3.38 -0.76 -1.55 115.31 118.47 1xnn h LEU 873 Ca 0.07 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1xnn h LEU 873 Cb 0.71 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1xnn h LEU 873 CO 0.05 0.98 0.11 0.45 0.09 0.00 0.00 178.44 180.12 1xnn h HIS 874 N 0.38 0.41 -0.35 1.13 3.86 -0.16 0.12 115.15 120.53 1xnn h HIS 874 Ca 0.01 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1xnn h HIS 874 Cb 1.06 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 1xnn h HIS 874 CO 0.04 0.41 0.16 0.37 0.86 0.00 0.00 177.93 179.77 1xnn h GLN 875 N 0.28 0.51 -0.68 2.45 5.75 -1.18 -0.74 115.11 121.51 1xnn h GLN 875 Ca 0.09 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 1xnn h GLN 875 Cb 0.18 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1xnn h GLN 875 CO -0.01 0.47 0.15 0.35 -2.65 0.00 0.00 178.83 177.14 1xnn h PHE 876 N 0.43 1.15 -0.38 3.99 3.04 -1.15 -1.36 116.94 122.66 1xnn h PHE 876 Ca 0.12 -0.14 -0.03 0.00 3.98 0.00 0.00 57.97 61.90 1xnn h PHE 876 Cb 0.14 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.31 1xnn h PHE 876 CO -0.01 0.95 0.11 0.00 -2.02 0.00 0.00 178.31 177.33 1xnn h ALA 877 N 1.11 0.50 0.38 2.41 0.00 -0.52 -1.58 119.26 121.57 1xnn h ALA 877 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xnn h ALA 877 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xnn h ALA 877 CO 0.01 0.15 -0.20 0.35 0.00 0.00 0.00 179.25 179.56 1xnn h PHE 878 N 0.47 -0.51 -0.82 0.00 3.57 -0.98 -0.90 116.94 117.77 1xnn h PHE 878 Ca 0.12 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1xnn h PHE 878 Cb 0.28 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1xnn h PHE 878 CO 0.01 -0.31 0.49 -0.44 -2.23 0.00 0.00 178.31 175.83 1xnn h ASP 879 N -0.53 0.74 -0.35 0.41 3.32 -1.22 -2.05 116.42 116.74 1xnn h ASP 879 Ca -0.05 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1xnn h ASP 879 Cb 0.42 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1xnn h ASP 879 CO 0.07 0.46 -0.03 0.25 -1.72 0.00 0.00 179.24 178.28 1xnn h LEU 880 N 0.87 0.63 -0.76 1.55 5.85 -1.11 -2.74 115.31 119.59 1xnn h LEU 880 Ca 0.37 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1xnn h LEU 880 Cb 0.24 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1xnn h LEU 880 CO -0.20 0.81 0.50 0.25 -0.34 0.00 0.00 178.44 179.45 1xnn h LEU 881 N 0.44 0.85 -1.12 2.25 5.85 -0.83 0.40 115.31 123.14 1xnn h LEU 881 Ca 0.10 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1xnn h LEU 881 Cb 0.50 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1xnn h LEU 881 CO 0.02 0.60 0.51 0.40 -0.34 0.00 0.00 178.44 179.64 1xnn h ILE 882 N 1.00 1.22 -0.42 4.05 1.08 -1.29 -2.93 117.51 120.22 1xnn h ILE 882 Ca 0.29 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1xnn h ILE 882 Cb -0.07 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 1xnn h ILE 882 CO -0.08 0.23 0.00 2.29 -0.69 0.00 0.00 178.15 179.90 1xnn n LYS 883 N -4.38 3.27 -0.34 2.37 2.85 -0.98 -4.57 118.16 116.38 1xnn n LYS 883 Ca 0.09 -2.65 -0.01 0.00 -1.05 0.00 0.00 58.31 54.69 1xnn n LYS 883 Cb 0.05 -1.72 0.15 0.00 -0.65 0.00 0.00 35.03 32.87 1xnn n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xnn h SER 884 N 2.70 1.07 -1.00 -5.58 4.64 -0.01 -1.99 113.55 113.38 1xnn h SER 884 Ca 0.00 -0.02 0.31 0.00 -0.47 0.00 0.00 61.79 61.60 1xnn h SER 884 Cb 1.27 -0.26 -0.14 0.00 -0.31 0.00 0.00 62.40 62.95 1xnn h SER 884 CO 0.18 0.77 0.56 0.45 -0.87 0.00 0.00 176.83 177.92 1xnn h HIS 885 N 1.26 0.93 0.00 4.77 3.86 -1.80 -1.04 115.15 123.13 1xnn h HIS 885 Ca 0.35 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.53 1xnn h HIS 885 Cb -0.12 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 1xnn h HIS 885 CO -0.00 -0.14 -0.54 1.98 0.86 0.00 0.00 177.93 180.09 1xnn h MET 886 N 0.36 0.00 0.00 2.45 -1.53 -1.73 -3.37 114.93 111.11 1xnn h MET 886 Ca 0.72 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.98 1xnn h MET 886 Cb 1.59 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.64 1xnn h MET 886 CO -0.59 0.46 0.05 1.33 0.14 0.00 0.00 176.91 178.30 1xnn n VAL 887 N -4.60 1.65 -2.87 -5.77 0.24 -0.91 -4.84 118.33 101.24 1xnn n VAL 887 Ca -0.13 0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 62.51 1xnn n VAL 887 Cb 0.37 -1.46 0.06 0.00 -1.47 0.00 0.00 33.84 31.34 1xnn n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1xnn n SER 888 N -1.41 -3.98 -3.90 -1.34 7.64 -0.42 -4.68 113.62 105.53 1xnn n SER 888 Ca 0.00 -0.48 -0.27 0.00 1.01 0.00 0.00 58.87 59.13 1xnn n SER 888 Cb 0.05 -3.86 -0.17 0.00 -1.01 0.00 0.00 64.21 59.22 1xnn n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xnn s VAL 889 N -3.27 1.00 0.25 0.44 1.01 -1.17 -4.80 120.40 113.87 1xnn s VAL 889 Ca 0.19 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1xnn s VAL 889 Cb -0.03 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 1xnn s VAL 889 CO 0.53 0.36 1.06 -1.81 0.00 0.00 0.00 175.10 175.24 1xnn s ASP 890 N 1.70 7.36 -0.21 3.32 1.01 -1.26 -4.75 116.67 123.85 1xnn s ASP 890 Ca 0.05 2.16 0.01 0.00 0.71 0.00 0.00 52.55 55.47 1xnn s ASP 890 Cb -0.13 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.21 1xnn s ASP 890 CO -0.08 -0.09 -0.16 -0.36 0.21 0.00 0.00 175.17 174.70 1xnn s PHE 891 N -0.97 2.92 0.67 4.23 0.40 -1.26 -4.79 117.98 119.18 1xnn s PHE 891 Ca 0.45 -1.73 -0.17 0.00 -0.60 0.00 0.00 56.93 54.87 1xnn s PHE 891 Cb -0.30 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.28 1xnn s PHE 891 CO 0.38 -0.80 1.28 -2.14 0.70 0.00 0.00 175.22 174.64 1xnn s PRO 892 N 1.27 2.39 0.20 0.24 0.02 -1.26 -4.70 135.00 133.16 1xnn s PRO 892 Ca 0.02 2.03 -0.20 0.00 0.02 0.00 0.00 61.00 62.87 1xnn s PRO 892 Cb -0.15 -1.83 0.17 0.00 0.02 0.00 0.00 34.50 32.71 1xnn s PRO 892 CO -0.10 -1.71 1.57 1.49 -0.33 0.00 0.00 177.00 177.93 1xnn h GLU 893 N 0.31 -0.10 -0.40 5.54 4.81 -1.99 -0.31 114.58 122.44 1xnn h GLU 893 Ca -0.50 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 1xnn h GLU 893 Cb 1.33 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1xnn h GLU 893 CO 0.52 -0.07 -0.08 0.52 -0.73 0.00 0.00 179.01 179.18 1xnn h MET 894 N -0.10 0.75 -0.61 1.92 2.86 -1.99 -2.64 114.93 115.11 1xnn h MET 894 Ca 0.27 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1xnn h MET 894 Cb 0.57 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1xnn h MET 894 CO -0.79 0.88 0.02 1.98 1.06 0.00 0.00 176.91 180.06 1xnn h MET 895 N 0.56 1.07 -0.03 1.72 1.85 -1.86 -2.52 114.93 115.73 1xnn h MET 895 Ca 0.10 -0.33 -0.06 0.00 -0.61 0.00 0.00 59.70 58.81 1xnn h MET 895 Cb 0.59 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.51 1xnn h MET 895 CO 0.04 1.04 -0.24 0.00 -0.40 0.00 0.00 176.91 177.34 1xnn h ALA 896 N 1.00 1.54 -0.01 0.39 0.00 -1.01 -1.30 119.26 119.87 1xnn h ALA 896 Ca 0.18 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1xnn h ALA 896 Cb 0.54 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xnn h ALA 896 CO 0.03 0.34 -0.83 1.49 0.00 0.00 0.00 179.25 180.28 1xnn h GLU 897 N 0.05 0.57 -0.55 0.00 4.81 -1.29 -2.80 114.58 115.36 1xnn h GLU 897 Ca 0.01 -0.61 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 1xnn h GLU 897 Cb 0.46 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1xnn h GLU 897 CO 0.03 1.22 0.17 0.82 -0.73 0.00 0.00 179.01 180.53 1xnn h ILE 898 N 0.17 1.24 -0.14 2.32 2.04 -1.24 -0.62 117.51 121.27 1xnn h ILE 898 Ca -0.10 -0.80 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 1xnn h ILE 898 Cb 1.51 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1xnn h ILE 898 CO 0.16 0.30 -0.21 0.40 0.00 0.00 0.00 178.15 178.80 1xnn h ILE 899 N 0.77 1.22 0.00 -0.67 2.04 -1.29 0.28 117.51 119.85 1xnn h ILE 899 Ca 0.18 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1xnn h ILE 899 Cb 0.28 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1xnn h ILE 899 CO -0.01 0.31 -1.17 -1.54 0.00 0.00 0.00 178.15 175.74 1xnn n SER 900 N -4.20 0.62 -0.05 1.72 3.41 -1.06 -3.96 113.62 110.11 1xnn n SER 900 Ca -0.01 -0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.08 1xnn n SER 900 Cb 0.33 1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.30 1xnn n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xnn n VAL 901 N -1.85 0.69 -0.06 -3.33 0.31 -0.25 -4.70 118.33 109.14 1xnn n VAL 901 Ca 0.02 -0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.10 1xnn n VAL 901 Cb 0.42 -1.68 -0.13 0.00 -0.91 0.00 0.00 33.84 31.54 1xnn n VAL 901 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1xnn h GLN 902 N -0.38 0.03 -0.39 5.55 7.50 -0.68 -3.37 115.11 123.38 1xnn h GLN 902 Ca -0.23 -0.06 0.06 0.00 0.50 0.00 0.00 58.65 58.93 1xnn h GLN 902 Cb 1.11 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 28.60 1xnn h GLN 902 CO -0.14 1.03 0.05 0.28 -1.50 0.00 0.00 178.83 178.55 1xnn h VAL 903 N -0.92 0.77 -0.93 -0.54 2.07 -1.14 -2.34 116.25 113.22 1xnn h VAL 903 Ca -0.09 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.54 1xnn h VAL 903 Cb 1.14 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 1xnn h VAL 903 CO -0.03 0.03 0.59 -0.65 0.02 0.00 0.00 177.57 177.54 1xnn h PRO 904 N 0.17 0.63 -0.25 1.57 0.11 -1.75 0.13 132.00 132.62 1xnn h PRO 904 Ca 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1xnn h PRO 904 Cb 0.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1xnn h PRO 904 CO -0.27 0.42 0.12 0.87 -0.21 0.00 0.00 178.00 178.93 1xnn h LYS 905 N 0.65 0.33 0.16 1.05 1.57 -1.57 0.12 116.57 118.88 1xnn h LYS 905 Ca 0.48 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.95 1xnn h LYS 905 Cb 0.86 -0.07 0.03 0.00 0.08 0.00 0.00 32.23 33.13 1xnn h LYS 905 CO -0.24 0.26 -1.21 0.82 -0.57 0.00 0.00 179.45 178.52 1xnn h ILE 906 N 0.34 1.33 0.00 1.86 2.04 -0.76 0.60 117.51 122.93 1xnn h ILE 906 Ca 0.09 -2.52 -0.09 0.00 1.00 0.00 0.00 64.86 63.34 1xnn h ILE 906 Cb 0.04 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1xnn h ILE 906 CO -0.01 0.75 -0.43 -0.07 0.00 0.00 0.00 178.15 178.39 1xnn h LEU 907 N 0.11 0.00 -0.36 1.44 3.38 -0.78 -2.82 115.31 116.28 1xnn h LEU 907 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1xnn h LEU 907 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1xnn h LEU 907 CO 0.23 0.43 -0.22 -1.54 0.09 0.00 0.00 178.44 177.43 1xnn n SER 908 N -4.02 0.78 0.00 -0.43 3.41 0.38 -4.94 113.62 108.79 1xnn n SER 908 Ca -0.02 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1xnn n SER 908 Cb 0.46 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1xnn n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xnn n GLY 909 N 1.34 0.77 0.14 5.00 0.00 -1.06 -4.97 105.19 106.40 1xnn n GLY 909 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1xnn n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnn h LYS 910 N 3.58 0.21 -6.03 1.61 1.57 -1.15 -3.44 116.57 112.92 1xnn h LYS 910 Ca 0.00 -0.20 -0.68 0.00 -1.87 0.00 0.00 60.65 57.89 1xnn h LYS 910 Cb 0.00 0.05 -0.31 0.00 0.08 0.00 0.00 32.23 32.05 1xnn h LYS 910 CO 0.00 0.91 -0.88 0.54 -0.57 0.00 0.00 179.45 179.44 1xnn s VAL 911 N -3.35 2.01 0.04 0.50 0.11 -0.74 -0.54 120.40 118.45 1xnn s VAL 911 Ca -0.03 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 57.98 1xnn s VAL 911 Cb 0.11 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1xnn s VAL 911 CO 0.82 0.56 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.56 1xnn s LYS 912 N -0.20 0.51 0.63 1.54 1.02 -0.11 -4.41 119.74 118.71 1xnn s LYS 912 Ca -0.02 -0.84 -0.17 0.00 0.02 0.00 0.00 55.97 54.96 1xnn s LYS 912 Cb -0.13 -0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.07 1xnn s LYS 912 CO 0.03 -0.01 1.15 -2.14 -0.92 0.00 0.00 175.35 173.46 1xnn s PRO 913 N -2.11 2.88 -0.27 -1.68 0.02 -1.26 -2.04 135.00 130.55 1xnn s PRO 913 Ca -0.07 1.58 -0.10 0.00 0.02 0.00 0.00 61.00 62.43 1xnn s PRO 913 Cb -0.06 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1xnn s PRO 913 CO -0.02 -1.22 0.16 0.42 -0.33 0.00 0.00 177.00 176.01 1xnn s ILE 914 N -2.01 5.12 -0.10 2.83 1.01 0.66 -4.90 121.20 123.81 1xnn s ILE 914 Ca 0.71 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 1xnn s ILE 914 Cb -0.24 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1xnn s ILE 914 CO 0.37 0.28 -0.03 -0.31 0.00 0.00 0.00 174.94 175.25 1xnn s TYR 915 N 1.60 3.05 0.05 3.97 1.51 -1.26 -4.88 117.35 121.39 1xnn s TYR 915 Ca 0.07 0.01 -0.20 0.00 -1.01 0.00 0.00 57.07 55.94 1xnn s TYR 915 Cb -0.15 -1.81 -0.13 0.00 -0.11 0.00 0.00 41.96 39.76 1xnn s TYR 915 CO 0.09 0.29 1.41 0.74 -1.11 0.00 0.00 175.55 176.97 1xnn h PHE 916 N 5.59 0.38 -3.14 2.71 0.04 -1.98 -3.44 116.94 117.10 1xnn h PHE 916 Ca -0.45 -0.09 -0.64 0.00 2.80 0.00 0.00 57.97 59.59 1xnn h PHE 916 Cb 1.18 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 39.16 1xnn h PHE 916 CO 0.58 0.64 -0.59 -1.01 -0.60 0.00 0.00 178.31 177.33 1xnn s HIS 917 N -4.61 3.24 -2.69 -0.55 3.76 -1.26 -5.15 115.29 108.02 1xnn s HIS 917 Ca -0.14 0.10 0.26 0.00 -0.15 0.00 0.00 55.06 55.14 1xnn s HIS 917 Cb 0.06 -1.64 0.72 0.00 1.11 0.00 0.00 32.58 32.82 1xnn s HIS 917 CO 0.74 0.53 1.56 0.25 -0.85 0.00 0.00 174.74 176.97