#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xow n ILE 672 N 0.00 -0.26 0.08 4.25 5.41 -1.26 0.10 119.36 127.68 1xow n ILE 672 Ca 0.00 1.45 -0.12 0.00 1.00 0.00 0.00 62.75 65.08 1xow n ILE 672 Cb 0.00 -1.84 -0.05 0.00 -0.71 0.00 0.00 39.64 37.04 1xow n ILE 672 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1xow h PHE 673 N 0.00 -0.41 -0.16 1.39 3.57 -2.04 -1.68 116.94 117.61 1xow h PHE 673 Ca 0.06 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1xow h PHE 673 Cb 0.16 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1xow h PHE 673 CO -0.72 -0.23 -0.21 -0.07 -2.23 0.00 0.00 178.31 174.85 1xow h LEU 674 N -0.29 0.26 -0.49 0.59 3.38 -1.84 -2.35 115.31 114.58 1xow h LEU 674 Ca 0.04 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xow h LEU 674 Cb 0.33 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1xow h LEU 674 CO -0.11 0.49 0.29 0.78 0.09 0.00 0.00 178.44 179.97 1xow h ASN 675 N 0.25 0.46 -0.02 -0.43 2.35 0.12 -1.49 115.58 116.82 1xow h ASN 675 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1xow h ASN 675 Cb 0.52 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xow h ASN 675 CO 0.03 0.33 0.00 0.58 -1.65 0.00 0.00 177.43 176.73 1xow h VAL 676 N 0.58 1.18 -0.91 2.81 2.07 -0.95 -1.74 116.25 119.28 1xow h VAL 676 Ca 0.19 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.28 1xow h VAL 676 Cb 0.02 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1xow h VAL 676 CO -0.09 0.14 0.55 -0.07 0.02 0.00 0.00 177.57 178.12 1xow h LEU 677 N -0.19 0.81 -0.39 2.57 3.38 -1.24 -0.27 115.31 119.98 1xow h LEU 677 Ca 0.01 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1xow h LEU 677 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xow h LEU 677 CO -0.00 0.46 -0.07 -0.08 0.09 0.00 0.00 178.44 178.84 1xow h GLU 678 N 0.91 0.73 -0.36 1.13 4.81 -1.20 -2.64 114.58 117.96 1xow h GLU 678 Ca 0.44 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1xow h GLU 678 Cb 0.38 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1xow h GLU 678 CO -0.24 0.86 0.05 0.00 -0.73 0.00 0.00 179.01 178.94 1xow h ALA 679 N 0.85 1.41 -0.01 2.92 0.00 -0.31 -3.11 119.26 121.01 1xow h ALA 679 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xow h ALA 679 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xow h ALA 679 CO 0.03 0.42 -0.42 0.44 0.00 0.00 0.00 179.25 179.72 1xow n ILE 680 N -4.31 0.00 -1.67 0.00 -5.35 -0.22 -4.95 119.36 102.86 1xow n ILE 680 Ca 0.02 -0.16 -0.44 0.00 -0.27 0.00 0.00 62.75 61.90 1xow n ILE 680 Cb 0.22 0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 38.84 1xow n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1xow n GLU 681 N -0.55 2.65 -1.62 6.28 4.07 -1.00 -4.74 120.64 125.74 1xow n GLU 681 Ca 0.10 0.97 -0.40 0.00 -0.06 0.00 0.00 57.16 57.77 1xow n GLU 681 Cb 0.39 -2.89 0.02 0.00 -0.06 0.00 0.00 31.44 28.91 1xow n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1xow n PRO 682 N 7.00 1.30 -0.07 5.31 -0.02 -1.26 -5.02 135.00 142.24 1xow n PRO 682 Ca 0.21 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1xow n PRO 682 Cb 0.37 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1xow n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xow n GLY 683 N 1.18 -0.19 3.75 -1.23 0.00 -1.26 -5.01 105.19 102.43 1xow n GLY 683 Ca 0.10 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1xow n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xow s VAL 684 N 0.20 2.96 -0.10 1.61 1.01 -1.26 -5.03 120.40 119.79 1xow s VAL 684 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1xow s VAL 684 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1xow s VAL 684 CO 0.00 0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.42 1xow s VAL 685 N -0.36 1.41 0.13 2.92 1.01 -1.26 -5.14 120.40 119.11 1xow s VAL 685 Ca 0.54 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1xow s VAL 685 Cb -0.38 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1xow s VAL 685 CO 0.44 0.42 0.29 0.00 0.00 0.00 0.00 175.10 176.25 1xow h ALA 687 N 2.45 0.65 0.00 0.00 0.00 -1.91 -3.46 119.26 116.99 1xow h ALA 687 Ca -0.47 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1xow h ALA 687 Cb 1.18 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xow h ALA 687 CO 0.71 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.26 1xow n GLY 688 N 1.36 0.42 3.77 0.00 0.00 -1.26 -4.53 105.19 104.94 1xow n GLY 688 Ca -0.06 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 1xow n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xow s HIS 689 N -2.00 3.11 -0.72 1.61 5.04 -1.26 -4.97 115.29 116.10 1xow s HIS 689 Ca 0.00 1.53 -0.20 0.00 -1.54 0.00 0.00 55.06 54.85 1xow s HIS 689 Cb 0.00 -3.47 0.10 0.00 0.04 0.00 0.00 32.58 29.25 1xow s HIS 689 CO 0.00 -1.41 0.92 0.34 -2.34 0.00 0.00 174.74 172.25 1xow s ASP 690 N -0.92 6.32 0.00 9.88 3.68 -1.26 -4.87 116.67 129.50 1xow s ASP 690 Ca 0.53 -1.47 0.12 0.00 2.13 0.00 0.00 52.55 53.87 1xow s ASP 690 Cb -0.34 -2.37 0.71 0.00 -1.45 0.00 0.00 42.92 39.48 1xow s ASP 690 CO 0.43 -1.21 1.28 0.59 0.13 0.00 0.00 175.17 176.39 1xow n ASN 691 N 6.85 0.00 0.02 -0.34 3.02 -1.26 -2.89 115.26 120.66 1xow n ASN 691 Ca 0.02 -1.17 0.11 0.00 -0.03 0.00 0.00 54.58 53.52 1xow n ASN 691 Cb 0.46 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 1xow n ASN 691 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xow n ASN 692 N -0.74 0.61 -4.88 6.41 3.02 -1.26 -4.90 115.26 113.52 1xow n ASN 692 Ca 0.09 -0.25 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 1xow n ASN 692 Cb 0.04 0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 40.00 1xow n ASN 692 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1xow s GLN 693 N -3.19 3.68 0.43 3.52 2.00 -1.14 -5.06 119.66 119.90 1xow s GLN 693 Ca 0.04 0.04 -0.25 0.00 -2.00 0.00 0.00 55.36 53.19 1xow s GLN 693 Cb 0.14 -2.97 -0.08 0.00 0.80 0.00 0.00 33.01 30.91 1xow s GLN 693 CO 0.81 0.55 1.27 -1.25 -0.50 0.00 0.00 175.29 176.17 1xow s PRO 694 N -2.10 3.84 0.57 1.67 0.04 -1.26 -4.94 135.00 132.81 1xow s PRO 694 Ca 0.34 2.07 -0.20 0.00 0.04 0.00 0.00 61.00 63.26 1xow s PRO 694 Cb -0.13 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1xow s PRO 694 CO 0.20 -0.57 1.12 -0.25 0.04 0.00 0.00 177.00 177.53 1xow n ASP 695 N -0.12 1.51 -3.58 6.66 8.00 -1.26 -5.03 116.55 122.73 1xow n ASP 695 Ca 0.05 0.88 -0.16 0.00 0.71 0.00 0.00 54.79 56.27 1xow n ASP 695 Cb 0.45 -1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 1xow n ASP 695 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xow s SER 696 N -1.11 -0.52 0.14 -2.24 1.04 -1.26 -5.04 113.70 104.71 1xow s SER 696 Ca 0.74 0.46 -0.26 0.00 0.48 0.00 0.00 55.95 57.37 1xow s SER 696 Cb -0.43 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1xow s SER 696 CO 0.48 -0.61 1.60 0.15 0.98 0.00 0.00 173.24 175.84 1xow h PHE 697 N 3.11 -1.00 -0.59 5.02 3.57 -1.96 -0.03 116.94 125.06 1xow h PHE 697 Ca -0.28 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.24 1xow h PHE 697 Cb 1.17 0.46 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 1xow h PHE 697 CO 0.40 -0.42 0.31 0.00 -2.23 0.00 0.00 178.31 176.37 1xow h ALA 698 N 0.37 0.76 -0.11 2.41 0.00 -1.87 -1.96 119.26 118.87 1xow h ALA 698 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xow h ALA 698 Cb 0.57 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xow h ALA 698 CO -0.40 0.30 0.02 0.00 0.00 0.00 0.00 179.25 179.17 1xow h ALA 699 N 1.13 0.14 -0.18 0.00 0.00 -1.81 -0.87 119.26 117.67 1xow h ALA 699 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xow h ALA 699 Cb 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xow h ALA 699 CO -0.03 -0.21 0.07 -0.07 0.00 0.00 0.00 179.25 179.01 1xow h LEU 700 N -0.05 0.25 -0.74 0.00 3.38 -0.98 -1.23 115.31 115.95 1xow h LEU 700 Ca 0.03 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1xow h LEU 700 Cb 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xow h LEU 700 CO 0.00 0.35 -0.32 -0.07 0.09 0.00 0.00 178.44 178.49 1xow h LEU 701 N 0.14 0.62 -0.53 1.67 3.38 -1.39 -1.09 115.31 118.10 1xow h LEU 701 Ca 0.06 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1xow h LEU 701 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1xow h LEU 701 CO -0.00 0.90 0.14 0.28 0.09 0.00 0.00 178.44 179.84 1xow h SER 702 N 0.51 0.81 -0.28 -0.43 0.02 -1.08 -0.32 113.55 112.77 1xow h SER 702 Ca 0.06 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 1xow h SER 702 Cb 0.80 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1xow h SER 702 CO 0.07 0.82 0.01 0.28 -1.14 0.00 0.00 176.83 176.87 1xow h SER 703 N 0.75 0.57 -0.53 3.07 0.02 -0.92 -1.32 113.55 115.19 1xow h SER 703 Ca 0.17 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1xow h SER 703 Cb 0.33 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1xow h SER 703 CO 0.00 0.63 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.17 1xow h LEU 704 N 0.58 1.00 -0.86 5.07 3.38 -0.81 -1.33 115.31 122.33 1xow h LEU 704 Ca 0.12 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1xow h LEU 704 Cb 0.35 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1xow h LEU 704 CO 0.01 1.11 0.19 0.78 0.09 0.00 0.00 178.44 180.62 1xow h ASN 705 N 0.87 0.97 -0.50 -0.43 2.35 -0.51 0.15 115.58 118.48 1xow h ASN 705 Ca 0.14 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1xow h ASN 705 Cb 0.65 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1xow h ASN 705 CO 0.04 0.91 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.64 1xow h GLU 706 N 0.99 0.90 -0.74 0.81 4.57 -1.08 -1.64 114.58 118.39 1xow h GLU 706 Ca 0.22 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1xow h GLU 706 Cb 0.30 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 1xow h GLU 706 CO -0.01 0.94 0.43 1.25 -1.18 0.00 0.00 179.01 180.44 1xow h LEU 707 N 0.76 0.90 -0.71 1.64 5.85 -0.76 -1.08 115.31 121.92 1xow h LEU 707 Ca 0.14 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1xow h LEU 707 Cb 0.54 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1xow h LEU 707 CO 0.03 0.71 0.46 1.23 -0.34 0.00 0.00 178.44 180.54 1xow h GLY 708 N 1.01 1.00 0.94 3.75 0.00 -0.33 0.21 103.07 109.65 1xow h GLY 708 Ca 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1xow h GLY 708 CO -0.05 0.35 0.15 -2.09 0.00 0.00 0.00 176.54 174.90 1xow h GLU 709 N 0.94 0.56 -0.55 4.80 4.57 -0.83 0.25 114.58 124.32 1xow h GLU 709 Ca 0.26 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 1xow h GLU 709 Cb -0.08 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 1xow h GLU 709 CO -0.07 0.54 0.28 0.00 -1.18 0.00 0.00 179.01 178.58 1xow h ARG 710 N 0.47 0.78 0.00 1.92 3.08 -0.68 -2.39 114.38 117.56 1xow h ARG 710 Ca 0.13 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 1xow h ARG 710 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1xow h ARG 710 CO -0.01 0.63 -0.38 1.96 -1.07 0.00 0.00 179.97 181.10 1xow h GLN 711 N 0.74 0.00 -0.74 0.04 4.20 -0.37 -2.81 115.11 116.18 1xow h GLN 711 Ca 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1xow h GLN 711 Cb 0.09 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1xow h GLN 711 CO -0.03 0.38 0.33 1.25 -0.67 0.00 0.00 178.83 180.10 1xow h LEU 712 N 0.00 0.99 -0.63 1.46 5.85 -0.44 0.99 115.31 123.53 1xow h LEU 712 Ca -0.00 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1xow h LEU 712 Cb 0.72 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1xow h LEU 712 CO 0.05 0.86 0.40 0.58 -0.34 0.00 0.00 178.44 179.99 1xow h VAL 713 N 1.05 1.17 -0.41 1.05 2.07 -1.24 -0.91 116.25 119.03 1xow h VAL 713 Ca 0.25 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1xow h VAL 713 Cb 0.15 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1xow h VAL 713 CO -0.03 0.17 -0.18 0.45 0.02 0.00 0.00 177.57 178.00 1xow h HIS 714 N 0.85 0.87 -0.63 1.57 3.86 -1.34 -1.98 115.15 118.35 1xow h HIS 714 Ca 0.23 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1xow h HIS 714 Cb -0.07 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 1xow h HIS 714 CO -0.03 0.90 0.17 0.28 0.86 0.00 0.00 177.93 180.11 1xow h VAL 715 N 0.69 1.24 -0.08 2.45 2.07 -0.25 0.06 116.25 122.42 1xow h VAL 715 Ca 0.10 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1xow h VAL 715 Cb 0.68 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1xow h VAL 715 CO 0.05 0.33 0.01 0.58 0.02 0.00 0.00 177.57 178.56 1xow h VAL 716 N 0.93 1.23 -0.72 2.57 2.07 -0.97 0.44 116.25 121.81 1xow h VAL 716 Ca 0.20 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1xow h VAL 716 Cb 0.31 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1xow h VAL 716 CO -0.00 0.20 0.46 0.11 0.02 0.00 0.00 177.57 178.36 1xow h LYS 717 N -0.11 0.87 0.55 1.57 1.57 -1.13 -2.00 116.57 117.88 1xow h LYS 717 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1xow h LYS 717 Cb 0.31 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.43 1xow h LYS 717 CO 0.00 0.58 -0.26 2.35 -0.57 0.00 0.00 179.45 181.55 1xow h TRP 718 N 0.90 -0.68 -0.85 -1.35 7.01 -0.87 -3.16 115.95 116.95 1xow h TRP 718 Ca 0.29 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.33 1xow h TRP 718 Cb 0.00 0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 1xow h TRP 718 CO -0.04 -0.38 0.53 0.00 -2.79 0.00 0.00 178.44 175.77 1xow h ALA 719 N -0.45 1.15 0.00 2.65 0.00 -0.81 -1.98 119.26 119.83 1xow h ALA 719 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xow h ALA 719 Cb 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xow h ALA 719 CO 0.12 0.29 0.00 0.87 0.00 0.00 0.00 179.25 180.54 1xow h LYS 720 N 0.98 0.00 -0.10 0.00 1.57 -1.40 -1.88 116.57 115.74 1xow h LYS 720 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1xow h LYS 720 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1xow h LYS 720 CO -0.16 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.72 1xow n ALA 721 N -1.93 2.46 -1.77 3.86 0.00 -0.76 -4.80 120.51 117.58 1xow n ALA 721 Ca -0.00 -0.74 -0.38 0.00 0.00 0.00 0.00 53.44 52.32 1xow n ALA 721 Cb 0.17 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1xow n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xow s LEU 722 N -1.89 4.19 0.11 0.00 1.43 -0.71 -4.94 118.68 116.87 1xow s LEU 722 Ca 0.31 2.30 -0.34 0.00 -1.03 0.00 0.00 54.13 55.36 1xow s LEU 722 Cb 0.21 -4.05 -0.14 0.00 0.03 0.00 0.00 46.19 42.25 1xow s LEU 722 CO 0.30 -0.65 1.63 -2.65 0.23 0.00 0.00 176.35 175.22 1xow n PRO 723 N 0.06 2.14 -0.89 1.29 -0.02 -1.26 -1.96 135.00 134.36 1xow n PRO 723 Ca 0.04 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1xow n PRO 723 Cb 0.47 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1xow n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xow n GLY 724 N 3.57 0.64 0.31 -1.23 0.00 -1.26 -4.90 105.19 102.32 1xow n GLY 724 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1xow n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xow h PHE 725 N 0.00 0.66 0.00 1.61 3.57 -1.71 -1.34 116.94 119.73 1xow h PHE 725 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xow h PHE 725 Cb 0.06 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1xow h PHE 725 CO 0.04 0.48 0.00 0.54 -2.23 0.00 0.00 178.31 177.14 1xow n ARG 726 N -4.39 0.10 0.21 1.11 1.74 -1.26 -2.07 116.66 112.10 1xow n ARG 726 Ca 0.04 0.21 0.08 0.00 -0.77 0.00 0.00 57.85 57.42 1xow n ARG 726 Cb 0.12 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.48 1xow n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1xow h ASN 727 N 0.00 0.00 -4.02 0.55 -0.26 -1.65 -3.44 115.58 106.76 1xow h ASN 727 Ca 0.00 0.00 -0.45 0.00 -0.56 0.00 0.00 56.30 55.29 1xow h ASN 727 Cb 0.18 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1xow h ASN 727 CO 0.00 0.27 0.36 -0.76 -1.06 0.00 0.00 177.43 176.24 1xow s LEU 728 N -6.92 4.02 0.47 1.61 1.43 -0.88 -4.91 118.68 113.51 1xow s LEU 728 Ca 0.00 1.79 -0.24 0.00 -1.03 0.00 0.00 54.13 54.65 1xow s LEU 728 Cb 0.11 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.85 1xow s LEU 728 CO 0.65 -0.39 1.40 -2.28 0.23 0.00 0.00 176.35 175.97 1xow s HIS 729 N -1.98 2.43 0.35 0.29 5.65 -1.26 -4.75 115.29 116.01 1xow s HIS 729 Ca 0.60 1.30 0.09 0.00 0.25 0.00 0.00 55.06 57.30 1xow s HIS 729 Cb -0.13 -3.88 0.83 0.00 -1.18 0.00 0.00 32.58 28.22 1xow s HIS 729 CO 0.18 -2.89 1.83 -0.24 -0.65 0.00 0.00 174.74 172.97 1xow h VAL 730 N 2.09 0.77 -0.07 0.89 3.04 -1.95 0.25 116.25 121.28 1xow h VAL 730 Ca -0.51 -0.23 -0.09 0.00 -1.01 0.00 0.00 66.70 64.86 1xow h VAL 730 Cb 1.27 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1xow h VAL 730 CO 0.60 0.12 -0.36 0.44 -1.01 0.00 0.00 177.57 177.36 1xow h ASP 731 N 0.68 0.14 0.65 3.17 3.32 -2.00 -2.38 116.42 120.00 1xow h ASP 731 Ca 0.50 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 57.30 1xow h ASP 731 Cb 0.86 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1xow h ASP 731 CO -0.26 0.50 -0.88 0.44 -1.72 0.00 0.00 179.24 177.32 1xow h ASP 732 N 0.12 0.20 -0.16 6.45 3.32 -1.36 -1.75 116.42 123.25 1xow h ASP 732 Ca 0.01 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1xow h ASP 732 Cb 0.70 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1xow h ASP 732 CO 0.05 0.98 0.10 1.56 -1.72 0.00 0.00 179.24 180.22 1xow h GLN 733 N 0.08 0.21 -0.31 3.56 4.20 -0.82 -0.98 115.11 121.05 1xow h GLN 733 Ca -0.04 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1xow h GLN 733 Cb 1.52 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 1xow h GLN 733 CO 0.13 0.15 -0.31 0.52 -0.67 0.00 0.00 178.83 178.65 1xow h MET 734 N 0.20 0.67 -0.06 1.46 2.86 -1.42 -3.11 114.93 115.52 1xow h MET 734 Ca 0.06 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1xow h MET 734 Cb -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1xow h MET 734 CO -0.01 0.90 0.01 0.00 1.06 0.00 0.00 176.91 178.87 1xow h ALA 735 N 1.09 0.08 -0.42 6.32 0.00 -1.00 -2.47 119.26 122.87 1xow h ALA 735 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xow h ALA 735 Cb 0.81 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1xow h ALA 735 CO 0.07 -0.29 0.08 -0.39 0.00 0.00 0.00 179.25 178.73 1xow h VAL 736 N -0.12 1.19 -0.27 0.00 -1.51 -1.25 -1.24 116.25 113.06 1xow h VAL 736 Ca 0.02 -0.71 -0.03 0.00 -1.23 0.00 0.00 66.70 64.76 1xow h VAL 736 Cb 0.25 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.19 1xow h VAL 736 CO 0.00 0.25 0.06 0.40 -1.23 0.00 0.00 177.57 177.05 1xow h ILE 737 N 0.61 1.22 -0.32 7.19 2.04 -1.47 -0.65 117.51 126.12 1xow h ILE 737 Ca 0.14 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 1xow h ILE 737 Cb 0.26 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1xow h ILE 737 CO -0.00 0.24 -0.05 1.56 0.00 0.00 0.00 178.15 179.90 1xow h GLN 738 N 0.27 0.52 0.14 2.37 4.20 -1.08 -1.17 115.11 120.36 1xow h GLN 738 Ca 0.08 -0.12 -0.29 0.00 0.06 0.00 0.00 58.65 58.38 1xow h GLN 738 Cb 0.31 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.04 1xow h GLN 738 CO 0.00 0.58 -1.26 1.88 -0.67 0.00 0.00 178.83 179.36 1xow h TYR 739 N 0.49 0.75 -0.00 2.96 0.05 -1.10 -3.33 116.97 116.79 1xow h TYR 739 Ca 0.10 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 58.37 1xow h TYR 739 Cb 0.39 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1xow h TYR 739 CO 0.01 1.38 -0.26 0.43 -1.05 0.00 0.00 178.16 178.68 1xow n SER 740 N -3.67 0.73 -0.26 3.88 7.64 -0.26 -4.44 113.62 117.23 1xow n SER 740 Ca -0.12 -0.61 -0.04 0.00 1.01 0.00 0.00 58.87 59.12 1xow n SER 740 Cb 1.01 0.08 0.02 0.00 -1.01 0.00 0.00 64.21 64.31 1xow n SER 740 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1xow h TRP 741 N 0.74 -0.95 0.11 1.43 7.01 -1.33 -0.29 115.95 122.67 1xow h TRP 741 Ca 0.00 0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1xow h TRP 741 Cb 0.47 0.52 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1xow h TRP 741 CO 0.00 -0.39 -0.05 1.98 -2.79 0.00 0.00 178.44 177.19 1xow h MET 742 N -0.10 -0.15 -0.71 2.65 4.05 -1.85 -1.87 114.93 116.94 1xow h MET 742 Ca 0.28 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.72 1xow h MET 742 Cb 0.57 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.36 1xow h MET 742 CO -0.78 -0.06 0.46 0.78 0.23 0.00 0.00 176.91 177.54 1xow h GLY 743 N -0.19 1.01 0.99 1.39 0.00 -1.75 -0.82 103.07 103.70 1xow h GLY 743 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1xow h GLY 743 CO 0.03 0.33 0.33 1.41 0.00 0.00 0.00 176.54 178.63 1xow h LEU 744 N 0.93 0.56 -0.51 3.11 3.38 -0.94 -0.34 115.31 121.49 1xow h LEU 744 Ca 0.27 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1xow h LEU 744 Cb -0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1xow h LEU 744 CO -0.08 0.41 0.13 0.24 0.09 0.00 0.00 178.44 179.23 1xow h MET 745 N 0.67 0.81 -0.29 1.13 2.86 -0.90 -1.67 114.93 117.54 1xow h MET 745 Ca 0.18 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1xow h MET 745 Cb -0.07 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1xow h MET 745 CO -0.04 0.78 0.18 0.28 1.06 0.00 0.00 176.91 179.17 1xow h VAL 746 N 0.70 1.09 -0.28 -2.22 2.07 -0.90 -0.00 116.25 116.71 1xow h VAL 746 Ca 0.16 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1xow h VAL 746 Cb 0.33 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1xow h VAL 746 CO 0.00 0.08 0.11 0.15 0.02 0.00 0.00 177.57 177.93 1xow h PHE 747 N 0.38 0.43 -0.58 1.57 3.57 -0.93 -0.37 116.94 121.01 1xow h PHE 747 Ca 0.10 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1xow h PHE 747 Cb -0.02 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1xow h PHE 747 CO -0.05 0.44 0.02 0.00 -2.23 0.00 0.00 178.31 176.48 1xow h ALA 748 N 0.95 0.93 -0.50 2.41 0.00 -1.21 -1.77 119.26 120.07 1xow h ALA 748 Ca 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1xow h ALA 748 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xow h ALA 748 CO -0.01 0.64 0.17 1.98 0.00 0.00 0.00 179.25 182.04 1xow h MET 749 N 0.91 0.76 -0.90 0.00 1.85 -0.78 0.08 114.93 116.86 1xow h MET 749 Ca 0.17 -0.16 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1xow h MET 749 Cb 0.51 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.38 1xow h MET 749 CO 0.02 0.70 0.58 0.78 -0.40 0.00 0.00 176.91 178.60 1xow h GLY 750 N 0.67 1.28 0.85 1.39 0.00 -0.79 0.67 103.07 107.14 1xow h GLY 750 Ca 0.16 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1xow h GLY 750 CO -0.01 0.48 -0.00 -0.25 0.00 0.00 0.00 176.54 176.76 1xow h TRP 751 N 1.23 0.49 -0.93 5.60 2.91 -0.86 -1.18 115.95 123.21 1xow h TRP 751 Ca 0.33 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.27 1xow h TRP 751 Cb -0.12 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 28.36 1xow h TRP 751 CO 0.00 0.61 0.59 0.00 -1.03 0.00 0.00 178.44 178.62 1xow h ARG 752 N 0.23 1.23 -0.40 2.65 3.08 -0.44 -0.67 114.38 120.06 1xow h ARG 752 Ca 0.07 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1xow h ARG 752 Cb 0.42 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1xow h ARG 752 CO 0.01 0.83 -0.19 0.77 -1.07 0.00 0.00 179.97 180.32 1xow h SER 753 N 1.26 0.77 0.03 7.04 0.02 -0.73 -0.40 113.55 121.54 1xow h SER 753 Ca 0.34 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1xow h SER 753 Cb -0.12 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.21 1xow h SER 753 CO -0.07 0.95 -0.01 0.15 -1.14 0.00 0.00 176.83 176.71 1xow h PHE 754 N 0.68 -0.03 -0.14 3.45 3.57 -0.42 0.29 116.94 124.34 1xow h PHE 754 Ca 0.10 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 1xow h PHE 754 Cb 0.69 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1xow h PHE 754 CO 0.04 0.29 -0.74 1.79 -2.23 0.00 0.00 178.31 177.46 1xow h THR 755 N -0.36 1.31 0.00 4.41 1.35 -1.14 -2.20 112.91 116.29 1xow h THR 755 Ca -0.00 -2.00 -0.05 0.00 -0.55 0.00 0.00 66.41 63.81 1xow h THR 755 Cb 0.34 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.74 1xow h THR 755 CO 0.01 0.62 -0.29 0.78 -0.25 0.00 0.00 175.52 176.39 1xow h ASN 756 N 0.45 0.00 -0.14 5.36 2.35 -1.16 -3.40 115.58 119.05 1xow h ASN 756 Ca -0.04 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1xow h ASN 756 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.71 1xow h ASN 756 CO 0.14 0.97 0.00 1.33 -1.65 0.00 0.00 177.43 178.23 1xow n VAL 757 N -4.61 1.98 -4.04 2.81 0.24 -0.81 -4.98 118.33 108.92 1xow n VAL 757 Ca -0.12 -1.95 -0.32 0.00 -2.04 0.00 0.00 64.34 59.91 1xow n VAL 757 Cb 0.40 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1xow n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1xow n ASN 758 N -0.85 -3.69 0.00 -1.34 5.15 -0.56 -0.85 115.26 113.12 1xow n ASN 758 Ca 0.17 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 1xow n ASN 758 Cb 0.73 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.63 1xow n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xow n SER 759 N -2.78 -3.74 -0.02 1.20 7.64 0.91 -4.86 113.62 111.98 1xow n SER 759 Ca 0.02 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 1xow n SER 759 Cb 0.53 -2.32 0.17 0.00 -1.01 0.00 0.00 64.21 61.58 1xow n SER 759 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1xow h ARG 760 N 0.49 0.57 -4.56 1.43 2.43 -1.23 -3.46 114.38 110.05 1xow h ARG 760 Ca 0.00 -0.21 -0.23 0.00 -0.81 0.00 0.00 59.98 58.73 1xow h ARG 760 Cb 0.50 -0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 29.87 1xow h ARG 760 CO 0.00 0.76 -0.64 -1.64 -1.51 0.00 0.00 179.97 176.94 1xow s MET 761 N -4.55 1.06 -0.46 0.20 -1.94 -1.26 -4.95 119.30 107.39 1xow s MET 761 Ca -0.08 -1.52 -0.21 0.00 -1.71 0.00 0.00 55.69 52.17 1xow s MET 761 Cb 0.14 0.13 0.03 0.00 2.01 0.00 0.00 34.83 37.13 1xow s MET 761 CO 0.80 -0.27 0.69 -0.51 -0.01 0.00 0.00 175.02 175.72 1xow s LEU 762 N -3.12 4.49 -1.33 -0.03 1.43 -0.76 -4.76 118.68 114.60 1xow s LEU 762 Ca 0.29 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 1xow s LEU 762 Cb 0.07 -2.74 0.10 0.00 0.03 0.00 0.00 46.19 43.66 1xow s LEU 762 CO 0.05 -0.85 1.87 0.00 0.23 0.00 0.00 176.35 177.65 1xow n TYR 763 N 6.42 3.93 -0.27 0.29 9.36 -1.26 -0.66 117.16 134.96 1xow n TYR 763 Ca -0.01 -2.97 -0.06 0.00 3.32 0.00 0.00 57.90 58.18 1xow n TYR 763 Cb 0.48 -2.35 0.06 0.00 -0.63 0.00 0.00 39.34 36.89 1xow n TYR 763 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1xow h PHE 764 N 6.53 1.16 -2.64 2.98 0.04 -1.80 -3.42 116.94 119.79 1xow h PHE 764 Ca 0.45 -0.09 0.07 0.00 2.80 0.00 0.00 57.97 61.20 1xow h PHE 764 Cb 0.74 -0.35 -0.11 0.00 2.20 0.00 0.00 35.95 38.43 1xow h PHE 764 CO 1.33 0.89 0.36 0.00 -0.60 0.00 0.00 178.31 180.29 1xow s ALA 765 N -5.52 -1.62 0.35 2.45 0.00 -0.92 -4.96 121.76 111.54 1xow s ALA 765 Ca -0.12 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1xow s ALA 765 Cb 0.15 0.68 0.78 0.00 0.00 0.00 0.00 23.12 24.74 1xow s ALA 765 CO 0.83 -0.84 1.88 -1.35 0.00 0.00 0.00 175.76 176.29 1xow h PRO 766 N 2.00 0.71 -0.65 0.00 0.11 -1.90 -0.91 132.00 131.36 1xow h PRO 766 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1xow h PRO 766 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xow h PRO 766 CO 0.31 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1xow n ASP 767 N -4.55 4.76 -3.10 -2.05 5.75 -1.26 -4.60 116.55 111.50 1xow n ASP 767 Ca 0.16 -2.44 -0.17 0.00 -0.01 0.00 0.00 54.79 52.33 1xow n ASP 767 Cb 0.42 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 39.88 1xow n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1xow n LEU 768 N 1.15 -1.57 -4.48 -2.12 7.94 -0.35 -4.50 117.00 113.07 1xow n LEU 768 Ca 0.26 -3.86 -0.36 0.00 -1.11 0.00 0.00 56.01 50.95 1xow n LEU 768 Cb 0.89 0.66 -0.12 0.00 0.53 0.00 0.00 43.42 45.37 1xow n LEU 768 CO 0.24 1.93 -0.30 -0.69 -1.11 0.00 0.00 177.39 177.46 1xow s VAL 769 N 0.20 4.25 -0.27 1.96 1.01 -1.24 -2.15 120.40 124.16 1xow s VAL 769 Ca 0.32 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.90 1xow s VAL 769 Cb 0.07 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1xow s VAL 769 CO -0.15 0.39 0.61 -0.36 0.00 0.00 0.00 175.10 175.60 1xow s PHE 770 N 1.17 3.27 0.51 5.22 0.40 0.16 -4.94 117.98 123.77 1xow s PHE 770 Ca 0.04 0.74 0.09 0.00 -0.60 0.00 0.00 56.93 57.20 1xow s PHE 770 Cb -0.14 -2.85 0.06 0.00 0.51 0.00 0.00 43.02 40.59 1xow s PHE 770 CO 0.03 -0.35 0.69 0.54 0.70 0.00 0.00 175.22 176.83 1xow s ASN 771 N 1.52 5.30 0.27 1.36 2.20 -1.26 -1.83 114.94 122.51 1xow s ASN 771 Ca 0.25 -0.69 0.01 0.00 -0.94 0.00 0.00 52.86 51.49 1xow s ASN 771 Cb -0.15 -0.08 0.59 0.00 -2.00 0.00 0.00 41.25 39.61 1xow s ASN 771 CO 0.09 -1.11 1.77 -0.33 -2.94 0.00 0.00 177.10 174.58 1xow h GLU 772 N 0.38 0.65 -0.72 3.55 4.39 -1.97 -1.22 114.58 119.63 1xow h GLU 772 Ca -0.34 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.36 1xow h GLU 772 Cb 1.29 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.74 1xow h GLU 772 CO 0.43 0.43 0.45 -0.92 -1.16 0.00 0.00 179.01 178.24 1xow h TYR 773 N 0.67 0.83 -0.09 4.33 3.20 -1.99 -0.66 116.97 123.26 1xow h TYR 773 Ca 0.50 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.24 1xow h TYR 773 Cb 0.72 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1xow h TYR 773 CO -0.07 0.47 -0.61 0.00 -1.64 0.00 0.00 178.16 176.31 1xow h ARG 774 N 0.86 0.31 -0.82 1.82 3.08 -1.69 0.18 114.38 118.13 1xow h ARG 774 Ca 0.29 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xow h ARG 774 Cb 0.05 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1xow h ARG 774 CO -0.12 0.83 0.51 0.52 -1.07 0.00 0.00 179.97 180.64 1xow h MET 775 N 0.23 1.09 0.01 0.04 2.86 -0.61 0.05 114.93 118.60 1xow h MET 775 Ca -0.01 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1xow h MET 775 Cb 1.12 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1xow h MET 775 CO 0.10 0.75 -0.13 1.25 1.06 0.00 0.00 176.91 179.94 1xow h HIS 776 N 1.12 0.11 -0.06 -0.22 -0.00 -0.85 -1.73 115.15 113.52 1xow h HIS 776 Ca 0.30 -0.07 0.02 0.00 -0.00 0.00 0.00 60.37 60.62 1xow h HIS 776 Cb -0.08 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1xow h HIS 776 CO 0.00 0.92 0.06 -0.22 -0.00 0.00 0.00 177.93 178.69 1xow h LYS 777 N -0.72 0.00 -0.00 5.26 1.63 -0.46 0.50 116.57 122.78 1xow h LYS 777 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1xow h LYS 777 Cb 0.96 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1xow h LYS 777 CO 0.03 0.00 -0.13 -1.13 -3.45 0.00 0.00 179.45 174.76 1xow n SER 778 N -4.12 0.23 -1.76 4.20 3.41 -0.01 -3.83 113.62 111.73 1xow n SER 778 Ca -0.01 -0.03 -0.20 0.00 -0.26 0.00 0.00 58.87 58.36 1xow n SER 778 Cb 0.16 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 1xow n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xow n ARG 779 N -1.32 -1.47 -0.26 4.33 1.74 0.17 -4.81 116.66 115.04 1xow n ARG 779 Ca 0.10 1.16 0.09 0.00 -0.77 0.00 0.00 57.85 58.43 1xow n ARG 779 Cb 0.31 -5.59 0.20 0.00 -1.02 0.00 0.00 32.46 26.36 1xow n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1xow n MET 780 N -2.55 2.07 -0.12 5.56 2.81 -1.14 -4.84 117.12 118.90 1xow n MET 780 Ca -0.21 -2.71 -0.11 0.00 -1.81 0.00 0.00 57.70 52.85 1xow n MET 780 Cb 0.67 -1.67 -0.06 0.00 -0.71 0.00 0.00 33.22 31.45 1xow n MET 780 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1xow h TYR 781 N 0.87 -1.40 -0.89 2.03 3.20 -1.61 0.13 116.97 119.29 1xow h TYR 781 Ca 0.00 0.07 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1xow h TYR 781 Cb 1.22 0.67 -0.07 0.00 1.54 0.00 0.00 36.73 40.08 1xow h TYR 781 CO 0.25 -0.47 0.54 0.66 -1.64 0.00 0.00 178.16 177.50 1xow h SER 782 N -0.37 0.82 0.16 -2.11 4.64 -1.88 0.46 113.55 115.27 1xow h SER 782 Ca 0.11 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1xow h SER 782 Cb 0.60 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1xow h SER 782 CO -0.57 0.50 -0.48 1.56 -0.87 0.00 0.00 176.83 176.97 1xow h GLN 783 N 0.94 0.38 -0.28 4.77 7.50 -1.75 -2.81 115.11 123.86 1xow h GLN 783 Ca 0.41 -0.21 -0.11 0.00 0.50 0.00 0.00 58.65 59.23 1xow h GLN 783 Cb 0.27 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 1xow h GLN 783 CO -0.21 0.79 -0.28 0.00 -1.50 0.00 0.00 178.83 177.63 1xow h VAL 785 N 0.50 1.21 -0.43 0.00 2.07 -0.75 0.19 116.25 119.03 1xow h VAL 785 Ca 0.07 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1xow h VAL 785 Cb 0.74 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1xow h VAL 785 CO 0.06 0.21 0.16 0.03 0.02 0.00 0.00 177.57 178.05 1xow h ARG 786 N 1.04 0.66 -0.32 1.57 2.47 -1.25 -1.35 114.38 117.20 1xow h ARG 786 Ca 0.28 -0.13 -0.09 0.00 -1.26 0.00 0.00 59.98 58.78 1xow h ARG 786 Cb -0.06 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.14 1xow h ARG 786 CO -0.05 0.62 -0.16 0.52 0.56 0.00 0.00 179.97 181.45 1xow h MET 787 N 0.56 0.57 -0.11 0.04 2.86 -0.83 -1.73 114.93 116.28 1xow h MET 787 Ca 0.14 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1xow h MET 787 Cb 0.21 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1xow h MET 787 CO -0.01 0.71 -0.44 -0.09 1.06 0.00 0.00 176.91 178.15 1xow h ARG 788 N 0.52 0.26 -0.35 1.72 2.43 -0.39 -1.67 114.38 116.90 1xow h ARG 788 Ca 0.09 -0.13 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1xow h ARG 788 Cb 0.58 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1xow h ARG 788 CO 0.04 0.66 -0.06 1.25 -1.51 0.00 0.00 179.97 180.35 1xow h HIS 789 N 0.22 0.73 -0.75 2.20 2.76 -0.75 -1.56 115.15 117.99 1xow h HIS 789 Ca 0.02 -0.15 0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1xow h HIS 789 Cb 0.86 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 29.59 1xow h HIS 789 CO 0.02 0.80 0.47 1.25 -1.30 0.00 0.00 177.93 179.16 1xow h LEU 790 N 0.45 0.76 -0.94 0.26 5.85 -1.09 -1.39 115.31 119.21 1xow h LEU 790 Ca 0.09 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xow h LEU 790 Cb 0.55 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1xow h LEU 790 CO 0.03 0.52 0.62 -1.28 -0.34 0.00 0.00 178.44 177.98 1xow h SER 791 N 0.90 1.08 0.26 1.25 0.87 -0.99 -2.09 113.55 114.84 1xow h SER 791 Ca 0.31 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 1xow h SER 791 Cb 0.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1xow h SER 791 CO -0.12 0.78 -0.24 1.56 -0.53 0.00 0.00 176.83 178.28 1xow h GLN 792 N 1.27 0.00 -0.04 2.24 4.20 -0.27 -2.65 115.11 119.86 1xow h GLN 792 Ca 0.34 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.99 1xow h GLN 792 Cb -0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1xow h GLN 792 CO -0.07 0.24 -0.27 0.93 -0.67 0.00 0.00 178.83 178.98 1xow h GLU 793 N 0.00 0.06 -0.18 1.46 5.08 -0.60 -0.42 114.58 119.98 1xow h GLU 793 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1xow h GLU 793 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1xow h GLU 793 CO 0.03 0.33 0.08 0.74 -1.00 0.00 0.00 179.01 179.20 1xow h PHE 794 N 0.06 0.24 0.05 4.33 0.04 -1.46 0.12 116.94 120.32 1xow h PHE 794 Ca 0.01 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.64 1xow h PHE 794 Cb 0.51 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 1xow h PHE 794 CO 0.00 0.19 -0.69 0.78 -0.60 0.00 0.00 178.31 177.99 1xow h GLY 795 N 0.34 0.13 2.00 -1.45 0.00 -1.41 -0.56 103.07 102.11 1xow h GLY 795 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1xow h GLY 795 CO -0.01 0.29 -0.03 1.49 0.00 0.00 0.00 176.54 178.28 1xow h TRP 796 N -0.73 0.00 -0.02 5.60 6.55 -0.86 -1.50 115.95 125.00 1xow h TRP 796 Ca -0.15 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.69 1xow h TRP 796 Cb 1.35 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.65 1xow h TRP 796 CO 0.20 0.03 -0.41 1.28 -1.05 0.00 0.00 178.44 178.49 1xow n LEU 797 N -4.34 1.97 -3.78 -4.49 4.77 0.39 -4.98 117.00 106.54 1xow n LEU 797 Ca -0.03 -0.71 -0.25 0.00 -0.03 0.00 0.00 56.01 54.99 1xow n LEU 797 Cb 0.12 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1xow n LEU 797 CO 0.33 0.36 0.02 0.00 -1.33 0.00 0.00 177.39 176.77 1xow n GLN 798 N 0.01 -5.36 -1.79 3.23 6.02 -0.57 -4.87 117.38 114.05 1xow n GLN 798 Ca 0.10 0.63 -0.42 0.00 -0.01 0.00 0.00 57.00 57.30 1xow n GLN 798 Cb 0.46 -5.35 -0.03 0.00 1.02 0.00 0.00 30.24 26.34 1xow n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xow s ILE 799 N -3.50 2.49 0.51 5.09 -1.09 -0.27 -4.99 121.20 119.45 1xow s ILE 799 Ca 0.30 0.18 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 1xow s ILE 799 Cb -0.15 -3.12 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 1xow s ILE 799 CO 0.81 0.01 0.88 0.42 -1.23 0.00 0.00 174.94 175.83 1xow s THR 800 N 2.00 4.78 0.44 2.92 -4.23 -1.26 -4.90 115.64 115.38 1xow s THR 800 Ca 0.76 0.62 0.10 0.00 -1.18 0.00 0.00 61.69 61.99 1xow s THR 800 Cb -0.46 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 69.84 1xow s THR 800 CO 0.33 -0.86 2.07 -0.65 -0.54 0.00 0.00 174.62 174.97 1xow h PRO 801 N 0.34 0.41 -0.20 3.99 0.11 -1.99 0.01 132.00 134.67 1xow h PRO 801 Ca -0.46 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 1xow h PRO 801 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xow h PRO 801 CO 0.62 0.27 -0.58 1.96 -0.21 0.00 0.00 178.00 180.07 1xow h GLN 802 N 0.42 0.65 -0.38 1.05 7.50 -1.99 -1.48 115.11 120.88 1xow h GLN 802 Ca 0.14 -0.43 -0.14 0.00 0.50 0.00 0.00 58.65 58.72 1xow h GLN 802 Cb 0.03 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1xow h GLN 802 CO -0.03 1.04 -0.32 0.93 -1.50 0.00 0.00 178.83 178.95 1xow h GLU 803 N 0.49 0.85 -0.29 1.46 5.08 -1.72 -2.30 114.58 118.16 1xow h GLU 803 Ca 0.00 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1xow h GLU 803 Cb 1.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1xow h GLU 803 CO 0.11 1.05 0.18 0.35 -1.00 0.00 0.00 179.01 179.70 1xow h PHE 804 N 0.71 0.34 -0.29 4.33 3.57 -0.88 -0.23 116.94 124.49 1xow h PHE 804 Ca 0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1xow h PHE 804 Cb 0.88 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1xow h PHE 804 CO 0.05 0.20 0.17 -0.07 -2.23 0.00 0.00 178.31 176.43 1xow h LEU 805 N 0.37 0.27 -0.46 0.59 3.38 -1.15 -0.53 115.31 117.77 1xow h LEU 805 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1xow h LEU 805 Cb -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1xow h LEU 805 CO -0.04 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1xow h MET 807 N 0.66 0.75 -0.80 0.00 2.86 -0.85 -1.61 114.93 115.94 1xow h MET 807 Ca 0.13 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1xow h MET 807 Cb 0.49 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 1xow h MET 807 CO 0.02 0.58 0.41 -0.22 1.06 0.00 0.00 176.91 178.76 1xow h LYS 808 N 0.73 1.14 -0.63 1.72 3.64 -0.98 0.04 116.57 122.22 1xow h LYS 808 Ca 0.19 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1xow h LYS 808 Cb 0.04 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1xow h LYS 808 CO -0.03 0.86 0.32 0.00 -2.27 0.00 0.00 179.45 178.33 1xow h ALA 809 N 1.22 0.81 -0.02 5.00 0.00 -1.12 -2.13 119.26 123.02 1xow h ALA 809 Ca 0.28 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1xow h ALA 809 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xow h ALA 809 CO -0.04 0.36 -0.32 1.25 0.00 0.00 0.00 179.25 180.50 1xow h LEU 810 N 0.86 0.04 -1.58 0.00 5.85 -0.75 -2.59 115.31 117.14 1xow h LEU 810 Ca 0.22 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xow h LEU 810 Cb 0.09 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1xow h LEU 810 CO -0.03 0.36 0.25 0.25 -0.34 0.00 0.00 178.44 178.93 1xow h LEU 811 N 0.03 0.47 -1.97 2.25 5.85 -0.31 -1.33 115.31 120.31 1xow h LEU 811 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1xow h LEU 811 Cb 0.58 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xow h LEU 811 CO 0.04 0.35 -0.05 0.25 -0.34 0.00 0.00 178.44 178.69 1xow h LEU 812 N 0.55 0.00 -3.89 2.25 5.85 -1.32 -2.55 115.31 116.19 1xow h LEU 812 Ca 0.15 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.26 1xow h LEU 812 Cb -0.04 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 40.66 1xow h LEU 812 CO -0.03 0.05 0.30 0.49 -0.34 0.00 0.00 178.44 178.91 1xow n PHE 813 N -4.36 2.98 -1.25 1.25 3.72 -0.50 -4.60 117.46 114.70 1xow n PHE 813 Ca -0.03 -2.67 0.09 0.00 -0.05 0.00 0.00 57.45 54.78 1xow n PHE 813 Cb 0.13 -1.05 0.14 0.00 -0.94 0.00 0.00 39.48 37.77 1xow n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1xow n SER 814 N -0.87 2.06 -3.59 4.37 7.64 -0.96 -4.95 113.62 117.31 1xow n SER 814 Ca 0.56 -3.14 -0.03 0.00 1.01 0.00 0.00 58.87 57.26 1xow n SER 814 Cb 0.81 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 1xow n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1xow s ILE 815 N -2.70 -0.87 0.14 0.44 2.07 -1.26 -0.16 121.20 118.86 1xow s ILE 815 Ca 0.31 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.57 1xow s ILE 815 Cb 0.28 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.95 1xow s ILE 815 CO 0.01 0.02 0.11 0.27 -1.91 0.00 0.00 174.94 173.43 1xow s ILE 816 N 2.79 0.10 0.36 2.00 -4.36 -0.71 -4.84 121.20 116.53 1xow s ILE 816 Ca -0.01 -1.79 -0.28 0.00 -0.26 0.00 0.00 60.65 58.31 1xow s ILE 816 Cb -0.12 -1.99 -0.10 0.00 1.25 0.00 0.00 42.46 41.50 1xow s ILE 816 CO -0.17 -0.44 1.30 -2.84 0.24 0.00 0.00 174.94 173.03 1xow s PRO 817 N -4.03 4.21 0.53 0.37 0.02 -1.26 -1.06 135.00 133.78 1xow s PRO 817 Ca 0.22 2.18 0.28 0.00 0.02 0.00 0.00 61.00 63.70 1xow s PRO 817 Cb 0.07 -2.94 1.48 0.00 0.02 0.00 0.00 34.50 33.12 1xow s PRO 817 CO 0.01 -0.30 2.08 -0.39 -0.33 0.00 0.00 177.00 178.07 1xow h VAL 818 N 2.80 0.55 -0.00 3.83 -1.51 -1.29 -0.34 116.25 120.29 1xow h VAL 818 Ca -0.49 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 1xow h VAL 818 Cb 1.23 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 1xow h VAL 818 CO 0.64 0.11 -0.06 0.47 -1.23 0.00 0.00 177.57 177.50 1xow n ASP 819 N -3.64 0.27 0.00 4.19 9.92 -1.26 -5.03 116.55 120.99 1xow n ASP 819 Ca -0.02 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 1xow n ASP 819 Cb 0.23 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1xow n ASP 819 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xow n GLY 820 N 1.24 0.26 3.99 0.44 0.00 -0.14 -5.04 105.19 105.94 1xow n GLY 820 Ca 0.16 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 1xow n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xow s LEU 821 N -1.67 3.10 0.14 0.99 1.43 -1.26 -4.66 118.68 116.75 1xow s LEU 821 Ca 0.00 -0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 1xow s LEU 821 Cb 0.00 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1xow s LEU 821 CO 0.00 -1.54 1.65 0.11 0.23 0.00 0.00 176.35 176.80 1xow h LYS 822 N -0.23 -0.20 -3.02 1.70 1.79 -1.96 -3.28 116.57 111.37 1xow h LYS 822 Ca -0.38 0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 57.49 1xow h LYS 822 Cb 1.28 0.05 -0.40 0.00 -1.58 0.00 0.00 32.23 31.57 1xow h LYS 822 CO 0.45 -0.13 -0.72 1.21 -1.08 0.00 0.00 179.45 179.18 1xow s ASN 823 N -5.05 3.74 0.43 0.86 2.47 -1.26 -4.97 114.94 111.16 1xow s ASN 823 Ca -0.15 -2.89 0.09 0.00 0.42 0.00 0.00 52.86 50.33 1xow s ASN 823 Cb 0.11 -1.17 0.93 0.00 -1.45 0.00 0.00 41.25 39.67 1xow s ASN 823 CO 0.68 -0.23 2.06 -0.61 -3.72 0.00 0.00 177.10 175.29 1xow h GLN 824 N 6.43 0.42 -0.60 0.43 5.75 -1.96 -3.02 115.11 122.56 1xow h GLN 824 Ca 0.02 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1xow h GLN 824 Cb 0.90 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 1xow h GLN 824 CO 0.54 0.29 0.22 0.87 -2.65 0.00 0.00 178.83 178.11 1xow h LYS 825 N 0.43 0.91 -0.03 1.69 1.57 -1.93 0.12 116.57 119.32 1xow h LYS 825 Ca 0.11 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1xow h LYS 825 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1xow h LYS 825 CO -0.02 0.79 -0.39 0.74 -0.57 0.00 0.00 179.45 180.00 1xow h PHE 826 N 0.83 0.07 -0.03 -1.35 0.04 -1.88 -1.93 116.94 112.69 1xow h PHE 826 Ca 0.20 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 1xow h PHE 826 Cb 0.23 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1xow h PHE 826 CO 0.01 0.44 -0.05 0.35 -0.60 0.00 0.00 178.31 178.46 1xow h PHE 827 N 0.05 0.11 -0.99 -0.55 3.57 -1.46 -2.15 116.94 115.52 1xow h PHE 827 Ca 0.00 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1xow h PHE 827 Cb 0.71 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.35 1xow h PHE 827 CO 0.00 0.62 0.63 -0.44 -2.23 0.00 0.00 178.31 176.90 1xow h ASP 828 N -0.43 0.98 -0.29 0.41 3.32 -0.83 0.88 116.42 120.46 1xow h ASP 828 Ca 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1xow h ASP 828 Cb 0.62 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xow h ASP 828 CO 0.01 0.59 0.08 -0.08 -1.72 0.00 0.00 179.24 178.12 1xow h GLU 829 N 1.09 0.46 -0.46 3.56 4.57 -1.36 -1.19 114.58 121.26 1xow h GLU 829 Ca 0.45 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.47 1xow h GLU 829 Cb 0.29 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1xow h GLU 829 CO -0.21 0.53 0.06 1.25 -1.18 0.00 0.00 179.01 179.46 1xow h LEU 830 N 0.31 0.74 -0.37 1.64 5.85 -0.66 -1.90 115.31 120.92 1xow h LEU 830 Ca 0.09 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1xow h LEU 830 Cb 0.26 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1xow h LEU 830 CO -0.00 0.82 0.17 -0.09 -0.34 0.00 0.00 178.44 179.00 1xow h ARG 831 N 0.63 0.53 -0.55 1.25 2.43 -0.81 -2.14 114.38 115.72 1xow h ARG 831 Ca 0.14 -0.09 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1xow h ARG 831 Cb 0.41 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1xow h ARG 831 CO 0.01 0.49 0.22 1.98 -1.51 0.00 0.00 179.97 181.16 1xow h MET 832 N 0.45 0.40 -0.46 0.20 4.05 -1.05 -1.55 114.93 116.97 1xow h MET 832 Ca 0.12 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1xow h MET 832 Cb 0.14 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1xow h MET 832 CO -0.01 0.26 0.08 -0.91 0.23 0.00 0.00 176.91 176.56 1xow h ASN 833 N 0.41 0.65 0.44 1.39 -0.26 -1.05 -1.62 115.58 115.56 1xow h ASN 833 Ca 0.27 -0.12 -0.11 0.00 -0.56 0.00 0.00 56.30 55.77 1xow h ASN 833 Cb 0.28 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1xow h ASN 833 CO -0.25 0.67 -0.51 1.88 -1.06 0.00 0.00 177.43 178.16 1xow h TYR 834 N 0.68 0.10 -0.29 1.19 -1.99 -0.69 -1.40 116.97 114.57 1xow h TYR 834 Ca 0.15 -0.03 -0.14 0.00 2.00 0.00 0.00 58.73 60.71 1xow h TYR 834 Cb 0.30 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1xow h TYR 834 CO 0.01 0.58 -0.39 0.82 -0.00 0.00 0.00 178.16 179.19 1xow h ILE 835 N 0.07 1.29 -0.80 -2.88 2.04 -0.82 -2.03 117.51 114.38 1xow h ILE 835 Ca -0.00 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 1xow h ILE 835 Cb 0.93 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1xow h ILE 835 CO 0.07 0.50 0.31 0.11 0.00 0.00 0.00 178.15 179.14 1xow h LYS 836 N 0.56 1.20 -0.68 2.37 1.79 -0.87 -1.29 116.57 119.65 1xow h LYS 836 Ca 0.05 -0.22 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 1xow h LYS 836 Cb 0.91 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 1xow h LYS 836 CO 0.08 0.97 0.16 0.93 -1.08 0.00 0.00 179.45 180.52 1xow h GLU 837 N 1.17 1.09 -0.79 3.15 4.39 -0.95 -1.03 114.58 121.60 1xow h GLU 837 Ca 0.27 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1xow h GLU 837 Cb 0.23 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1xow h GLU 837 CO -0.02 0.96 0.38 1.25 -1.16 0.00 0.00 179.01 180.42 1xow h LEU 838 N 1.03 1.03 0.07 1.33 5.85 -0.93 -1.44 115.31 122.25 1xow h LEU 838 Ca 0.22 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1xow h LEU 838 Cb 0.36 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1xow h LEU 838 CO 0.00 0.87 -0.29 0.44 -0.34 0.00 0.00 178.44 179.12 1xow h ASP 839 N 1.12 -0.85 -0.54 1.25 3.32 -0.49 -1.58 116.42 118.65 1xow h ASP 839 Ca 0.27 0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.49 1xow h ASP 839 Cb 0.11 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 1xow h ASP 839 CO -0.04 -0.37 0.24 0.03 -1.72 0.00 0.00 179.24 177.38 1xow h ARG 840 N -0.49 0.44 -0.68 3.56 3.08 -0.85 0.20 114.38 119.65 1xow h ARG 840 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1xow h ARG 840 Cb 0.54 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1xow h ARG 840 CO -0.20 0.29 0.43 0.82 -1.07 0.00 0.00 179.97 180.25 1xow h ILE 841 N 0.46 1.18 -0.19 2.04 2.04 -0.98 -2.03 117.51 120.02 1xow h ILE 841 Ca 0.25 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1xow h ILE 841 Cb 0.22 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1xow h ILE 841 CO -0.21 0.18 -0.33 0.40 0.00 0.00 0.00 178.15 178.19 1xow h ILE 842 N 0.92 1.34 -2.88 -0.67 2.04 -0.31 -3.50 117.51 114.44 1xow h ILE 842 Ca 0.25 -1.55 -0.54 0.00 1.00 0.00 0.00 64.86 64.02 1xow h ILE 842 Cb -0.08 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1xow h ILE 842 CO -0.05 0.48 0.85 0.00 0.00 0.00 0.00 178.15 179.42 1xow s ALA 843 N -4.11 3.60 -1.16 1.87 0.00 0.61 -4.89 121.76 117.68 1xow s ALA 843 Ca -0.13 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1xow s ALA 843 Cb 0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1xow s ALA 843 CO 0.81 -0.92 0.05 -2.37 0.00 0.00 0.00 175.76 173.33 1xow n THR 850 N 4.61 0.00 0.08 0.00 5.66 -1.26 -5.05 114.28 118.31 1xow n THR 850 Ca 0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.04 1xow n THR 850 Cb 0.43 -0.58 -0.01 0.00 -1.55 0.00 0.00 70.33 68.62 1xow n THR 850 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1xow h SER 851 N 0.00 0.36 -0.46 1.09 4.64 -2.01 -2.91 113.55 114.26 1xow h SER 851 Ca 0.00 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1xow h SER 851 Cb 0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1xow h SER 851 CO 0.00 1.06 0.26 0.00 -0.87 0.00 0.00 176.83 177.29 1xow h SER 853 N 0.61 -0.15 -0.61 0.00 0.87 -1.99 -0.54 113.55 111.74 1xow h SER 853 Ca 0.16 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1xow h SER 853 Cb 0.03 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1xow h SER 853 CO -0.03 -0.07 0.17 -0.09 -0.53 0.00 0.00 176.83 176.28 1xow h ARG 854 N -0.08 1.00 -0.27 2.24 2.43 -1.31 -1.38 114.38 117.00 1xow h ARG 854 Ca 0.03 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1xow h ARG 854 Cb 0.12 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1xow h ARG 854 CO -0.07 0.87 0.05 -0.09 -1.51 0.00 0.00 179.97 179.22 1xow h ARG 855 N 0.95 0.45 -0.60 0.20 9.65 -0.89 -2.14 114.38 122.01 1xow h ARG 855 Ca 0.21 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1xow h ARG 855 Cb 0.32 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 1xow h ARG 855 CO -0.00 0.56 0.31 0.35 2.80 0.00 0.00 179.97 183.98 1xow h PHE 856 N 0.26 0.82 0.17 2.20 3.57 -0.90 -1.26 116.94 121.80 1xow h PHE 856 Ca 0.08 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1xow h PHE 856 Cb 0.32 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1xow h PHE 856 CO 0.02 0.59 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.68 1xow h TYR 857 N 0.84 -0.21 -0.03 0.41 3.20 -0.94 -1.72 116.97 118.51 1xow h TYR 857 Ca 0.21 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 1xow h TYR 857 Cb 0.05 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1xow h TYR 857 CO 0.01 -0.07 -0.50 -0.56 -1.64 0.00 0.00 178.16 175.40 1xow h GLN 858 N -0.31 0.09 -0.28 1.82 3.07 -1.15 -1.03 115.11 117.33 1xow h GLN 858 Ca -0.02 -0.05 -0.18 0.00 0.09 0.00 0.00 58.65 58.49 1xow h GLN 858 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.80 1xow h GLN 858 CO 0.04 0.57 -0.54 -0.07 0.09 0.00 0.00 178.83 178.92 1xow h LEU 859 N 0.07 0.94 -0.70 0.06 3.38 -1.18 0.71 115.31 118.58 1xow h LEU 859 Ca 0.00 -0.50 -0.14 0.00 0.09 0.00 0.00 57.88 57.33 1xow h LEU 859 Cb 0.91 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1xow h LEU 859 CO 0.07 1.29 -0.54 0.71 0.09 0.00 0.00 178.44 180.05 1xow h THR 860 N 0.65 1.36 -0.52 0.22 1.35 -1.24 -0.48 112.91 114.25 1xow h THR 860 Ca 0.02 -1.84 -0.07 0.00 -0.55 0.00 0.00 66.41 63.97 1xow h THR 860 Cb 1.14 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 69.42 1xow h THR 860 CO 0.12 0.55 0.03 0.11 -0.25 0.00 0.00 175.52 176.08 1xow h LYS 861 N 0.22 0.90 -0.06 4.72 1.79 -1.00 -0.98 116.57 122.16 1xow h LYS 861 Ca 0.00 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1xow h LYS 861 Cb 1.03 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1xow h LYS 861 CO 0.09 0.91 0.03 1.25 -1.08 0.00 0.00 179.45 180.65 1xow h LEU 862 N 0.78 0.08 -0.77 2.94 5.85 -0.51 -1.95 115.31 121.72 1xow h LEU 862 Ca 0.15 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1xow h LEU 862 Cb 0.48 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1xow h LEU 862 CO 0.02 0.14 0.44 -0.07 -0.34 0.00 0.00 178.44 178.63 1xow h LEU 863 N 0.01 0.65 -1.19 2.25 3.38 -0.92 -1.31 115.31 118.17 1xow h LEU 863 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xow h LEU 863 Cb 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1xow h LEU 863 CO -0.00 0.39 0.45 0.44 0.09 0.00 0.00 178.44 179.81 1xow h ASP 864 N 0.77 0.88 0.29 -0.43 3.32 -0.90 -2.40 116.42 117.96 1xow h ASP 864 Ca 0.36 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xow h ASP 864 Cb 0.27 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1xow h ASP 864 CO -0.22 0.67 0.00 0.77 -1.72 0.00 0.00 179.24 178.75 1xow h SER 865 N 1.02 0.00 -0.39 6.45 4.64 -0.45 -2.40 113.55 122.42 1xow h SER 865 Ca 0.27 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.43 1xow h SER 865 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1xow h SER 865 CO -0.05 0.00 -0.35 0.58 -0.87 0.00 0.00 176.83 176.14 1xow h VAL 866 N 0.00 1.27 -0.44 0.95 2.07 -1.37 -3.33 116.25 115.40 1xow h VAL 866 Ca 0.00 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 66.05 1xow h VAL 866 Cb 0.15 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1xow h VAL 866 CO 0.00 0.51 0.17 1.56 0.02 0.00 0.00 177.57 179.83 1xow h GLN 867 N 0.77 0.33 -0.46 1.57 1.08 -1.56 -0.10 115.11 116.74 1xow h GLN 867 Ca 0.07 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 1xow h GLN 867 Cb 0.93 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 1xow h GLN 867 CO 0.09 0.22 0.12 -1.35 -0.95 0.00 0.00 178.83 176.96 1xow h PRO 868 N 0.34 0.69 -0.20 1.46 0.11 -1.72 -0.87 132.00 131.82 1xow h PRO 868 Ca 0.20 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1xow h PRO 868 Cb 0.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1xow h PRO 868 CO -0.19 0.63 0.03 0.82 -0.21 0.00 0.00 178.00 179.07 1xow h ILE 869 N 0.67 1.22 -0.63 4.15 2.04 -1.51 -1.97 117.51 121.49 1xow h ILE 869 Ca 0.15 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1xow h ILE 869 Cb 0.24 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1xow h ILE 869 CO -0.00 0.23 0.41 0.00 0.00 0.00 0.00 178.15 178.79 1xow h ALA 870 N 0.84 1.54 -0.34 1.87 0.00 -0.71 -1.58 119.26 120.88 1xow h ALA 870 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1xow h ALA 870 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xow h ALA 870 CO 0.00 0.42 0.02 -0.09 0.00 0.00 0.00 179.25 179.60 1xow h ARG 871 N 0.85 0.59 -0.81 0.00 2.43 -0.89 0.10 114.38 116.65 1xow h ARG 871 Ca 0.23 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1xow h ARG 871 Cb -0.09 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.35 1xow h ARG 871 CO -0.05 0.70 0.52 0.93 -1.51 0.00 0.00 179.97 180.55 1xow h GLU 872 N 0.40 0.98 -0.12 0.20 4.39 -0.75 -0.30 114.58 119.39 1xow h GLU 872 Ca 0.10 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 1xow h GLU 872 Cb 0.42 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1xow h GLU 872 CO 0.01 0.65 -0.51 -0.07 -1.16 0.00 0.00 179.01 177.93 1xow h LEU 873 N 1.01 0.37 -0.31 1.33 3.38 -1.11 -1.39 115.31 118.59 1xow h LEU 873 Ca 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1xow h LEU 873 Cb -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1xow h LEU 873 CO -0.11 0.82 0.15 0.45 0.09 0.00 0.00 178.44 179.85 1xow h HIS 874 N 0.27 0.45 -0.49 1.13 3.86 0.07 0.13 115.15 120.57 1xow h HIS 874 Ca 0.01 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1xow h HIS 874 Cb 1.00 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1xow h HIS 874 CO 0.03 0.40 0.22 1.96 0.86 0.00 0.00 177.93 181.40 1xow h GLN 875 N 0.37 0.71 -0.15 2.45 4.20 -0.94 -1.10 115.11 120.66 1xow h GLN 875 Ca 0.11 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1xow h GLN 875 Cb 0.11 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1xow h GLN 875 CO -0.01 0.61 0.04 0.35 -0.67 0.00 0.00 178.83 179.15 1xow h PHE 876 N 0.65 0.25 -0.13 2.96 3.04 -1.00 -1.29 116.94 121.40 1xow h PHE 876 Ca 0.17 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.00 1xow h PHE 876 Cb 0.14 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1xow h PHE 876 CO -0.00 0.37 -0.31 0.00 -2.02 0.00 0.00 178.31 176.34 1xow h THR 877 N 0.06 1.26 0.13 4.41 1.03 -0.68 -0.99 112.91 118.13 1xow h THR 877 Ca 0.05 -1.26 -0.01 0.00 -0.01 0.00 0.00 66.41 65.18 1xow h THR 877 Cb 0.24 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1xow h THR 877 CO -0.00 0.38 -0.06 0.15 -0.01 0.00 0.00 175.52 175.98 1xow h PHE 878 N 0.23 -0.16 -0.60 0.00 3.57 -1.02 -0.84 116.94 118.11 1xow h PHE 878 Ca 0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1xow h PHE 878 Cb 0.66 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1xow h PHE 878 CO 0.01 0.12 0.32 -0.44 -2.23 0.00 0.00 178.31 176.09 1xow h ASP 879 N -0.44 0.74 -0.66 0.41 3.32 -1.12 -1.77 116.42 116.89 1xow h ASP 879 Ca -0.02 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1xow h ASP 879 Cb 0.36 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1xow h ASP 879 CO 0.03 0.61 0.16 0.25 -1.72 0.00 0.00 179.24 178.57 1xow h LEU 880 N 0.84 1.00 -0.40 1.55 5.85 -1.02 -2.47 115.31 120.66 1xow h LEU 880 Ca 0.21 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1xow h LEU 880 Cb 0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 1xow h LEU 880 CO -0.03 0.97 0.06 0.25 -0.34 0.00 0.00 178.44 179.35 1xow h LEU 881 N 0.98 0.64 -1.50 2.25 5.85 -0.52 0.57 115.31 123.57 1xow h LEU 881 Ca 0.21 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1xow h LEU 881 Cb 0.36 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1xow h LEU 881 CO 0.00 0.74 0.36 0.40 -0.34 0.00 0.00 178.44 179.60 1xow h ILE 882 N 0.51 1.09 -0.30 4.05 1.08 -1.18 -2.65 117.51 120.11 1xow h ILE 882 Ca 0.12 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1xow h ILE 882 Cb 0.38 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1xow h ILE 882 CO 0.01 0.12 0.00 2.29 -0.69 0.00 0.00 178.15 179.88 1xow n LYS 883 N -4.46 2.20 -0.34 2.37 2.85 -0.95 -4.68 118.16 115.15 1xow n LYS 883 Ca 0.06 -1.92 0.22 0.00 -1.05 0.00 0.00 58.31 55.62 1xow n LYS 883 Cb 0.10 -1.32 0.48 0.00 -0.65 0.00 0.00 35.03 33.63 1xow n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xow h SER 884 N 2.70 0.51 0.43 -5.58 4.64 0.53 0.22 113.55 116.99 1xow h SER 884 Ca 0.00 0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1xow h SER 884 Cb 0.73 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1xow h SER 884 CO 0.00 0.07 -0.21 1.12 -0.87 0.00 0.00 176.83 176.93 1xow h HIS 885 N 0.43 0.00 0.00 4.77 2.07 -1.81 -1.50 115.15 119.12 1xow h HIS 885 Ca 0.63 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.99 1xow h HIS 885 Cb 1.49 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.45 1xow h HIS 885 CO -0.00 0.21 -1.11 0.52 -3.07 0.00 0.00 177.93 174.47 1xow h MET 886 N 0.00 0.00 -0.32 5.12 2.07 -0.93 -3.36 114.93 117.51 1xow h MET 886 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1xow h MET 886 Cb 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.21 1xow h MET 886 CO 0.03 0.41 0.00 1.33 1.07 0.00 0.00 176.91 179.75 1xow n VAL 887 N -3.03 0.69 -3.06 -2.22 0.24 -1.01 -4.99 118.33 104.95 1xow n VAL 887 Ca -0.06 -0.85 -0.18 0.00 -2.04 0.00 0.00 64.34 61.22 1xow n VAL 887 Cb 0.82 0.75 0.04 0.00 -1.47 0.00 0.00 33.84 33.98 1xow n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1xow n SER 888 N 0.84 -5.24 -4.49 -1.34 7.64 -0.67 -4.60 113.62 105.75 1xow n SER 888 Ca 0.13 -0.31 -0.36 0.00 1.01 0.00 0.00 58.87 59.35 1xow n SER 888 Cb 0.45 -3.98 -0.12 0.00 -1.01 0.00 0.00 64.21 59.55 1xow n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xow s VAL 889 N -3.13 4.43 0.01 0.44 1.01 -0.65 -4.80 120.40 117.71 1xow s VAL 889 Ca 0.33 -0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 1xow s VAL 889 Cb -0.15 -3.05 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 1xow s VAL 889 CO 0.41 0.37 0.57 -1.81 0.00 0.00 0.00 175.10 174.64 1xow s ASP 890 N 1.29 6.97 -0.17 3.32 1.01 -1.26 -4.59 116.67 123.24 1xow s ASP 890 Ca 0.05 1.15 0.00 0.00 0.71 0.00 0.00 52.55 54.46 1xow s ASP 890 Cb -0.15 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1xow s ASP 890 CO 0.03 0.15 -0.15 -0.36 0.21 0.00 0.00 175.17 175.05 1xow s PHE 891 N -0.41 2.79 0.93 4.23 0.40 -1.26 -4.68 117.98 119.98 1xow s PHE 891 Ca 0.30 -1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 55.34 1xow s PHE 891 Cb -0.18 -1.92 0.15 0.00 0.51 0.00 0.00 43.02 41.58 1xow s PHE 891 CO 0.17 -0.57 1.11 -2.14 0.70 0.00 0.00 175.22 174.49 1xow s PRO 892 N 1.00 0.97 0.00 0.24 0.02 -1.26 -4.72 135.00 131.24 1xow s PRO 892 Ca -0.02 1.28 0.00 0.00 0.02 0.00 0.00 61.00 62.28 1xow s PRO 892 Cb -0.15 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1xow s PRO 892 CO -0.03 -2.58 0.98 -1.91 -0.33 0.00 0.00 177.00 173.13 1xow n GLU 893 N -4.17 0.00 -0.31 5.54 4.07 -1.26 -1.87 120.64 122.64 1xow n GLU 893 Ca 0.09 0.92 0.03 0.00 -0.06 0.00 0.00 57.16 58.15 1xow n GLU 893 Cb 0.53 -1.48 0.23 0.00 -0.06 0.00 0.00 31.44 30.66 1xow n GLU 893 CO 0.00 0.00 0.00 0.52 -0.06 0.00 0.00 177.13 177.59 1xow h MET 894 N 0.00 1.03 -0.14 5.31 2.86 -2.00 -2.62 114.93 119.37 1xow h MET 894 Ca 0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1xow h MET 894 Cb 0.00 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1xow h MET 894 CO 0.00 0.68 0.06 0.52 1.06 0.00 0.00 176.91 179.23 1xow h MET 895 N 1.06 0.20 -1.00 1.72 2.86 -1.89 0.36 114.93 118.25 1xow h MET 895 Ca 0.39 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.04 1xow h MET 895 Cb 0.17 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 1xow h MET 895 CO -0.15 0.28 0.65 0.00 1.06 0.00 0.00 176.91 178.75 1xow h ALA 896 N 0.92 1.34 0.26 6.32 0.00 -1.15 0.17 119.26 127.12 1xow h ALA 896 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xow h ALA 896 Cb 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xow h ALA 896 CO -0.00 0.52 -0.12 1.49 0.00 0.00 0.00 179.25 181.13 1xow h GLU 897 N 1.24 -0.34 -0.70 0.00 4.81 -1.21 -2.23 114.58 116.15 1xow h GLU 897 Ca 0.41 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1xow h GLU 897 Cb 0.04 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1xow h GLU 897 CO -0.14 -0.02 0.45 0.82 -0.73 0.00 0.00 179.01 179.40 1xow h ILE 898 N -0.69 1.13 0.00 2.32 2.04 -0.67 0.25 117.51 121.89 1xow h ILE 898 Ca -0.04 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1xow h ILE 898 Cb 0.48 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1xow h ILE 898 CO 0.06 0.16 -0.33 0.40 0.00 0.00 0.00 178.15 178.45 1xow h ILE 899 N 0.90 1.04 0.00 -0.67 2.04 -0.70 0.22 117.51 120.35 1xow h ILE 899 Ca 0.27 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xow h ILE 899 Cb -0.03 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1xow h ILE 899 CO -0.09 0.32 -1.71 -1.54 0.00 0.00 0.00 178.15 175.13 1xow n SER 900 N -3.87 0.24 -0.11 1.72 3.41 -0.84 -3.99 113.62 110.18 1xow n SER 900 Ca -0.01 0.04 -0.15 0.00 -0.26 0.00 0.00 58.87 58.49 1xow n SER 900 Cb 0.40 1.58 -0.10 0.00 -0.26 0.00 0.00 64.21 65.83 1xow n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xow n VAL 901 N -2.33 1.21 -0.14 -3.33 0.31 0.83 -4.69 118.33 110.20 1xow n VAL 901 Ca -0.03 -0.46 -0.29 0.00 -0.01 0.00 0.00 64.34 63.55 1xow n VAL 901 Cb 0.55 -1.24 -0.10 0.00 -0.91 0.00 0.00 33.84 32.14 1xow n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xow n GLN 902 N -3.11 0.58 -0.34 5.55 1.13 -0.03 -4.54 117.38 116.61 1xow n GLN 902 Ca -0.37 0.25 0.10 0.00 -1.94 0.00 0.00 57.00 55.04 1xow n GLN 902 Cb 0.90 -1.47 0.30 0.00 0.11 0.00 0.00 30.24 30.08 1xow n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1xow h VAL 903 N -0.96 0.82 0.00 5.09 2.07 -1.44 0.76 116.25 122.58 1xow h VAL 903 Ca -0.69 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1xow h VAL 903 Cb 1.61 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1xow h VAL 903 CO -0.42 0.16 -0.04 -0.65 0.02 0.00 0.00 177.57 176.64 1xow h PRO 904 N 0.85 0.00 -0.29 1.57 0.11 -1.81 0.58 132.00 133.01 1xow h PRO 904 Ca 0.53 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.55 1xow h PRO 904 Cb 0.71 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1xow h PRO 904 CO -0.30 0.04 -0.17 0.87 -0.21 0.00 0.00 178.00 178.22 1xow h LYS 905 N 0.00 0.52 -0.01 1.05 1.57 -1.08 0.28 116.57 118.90 1xow h LYS 905 Ca -0.00 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1xow h LYS 905 Cb 0.18 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1xow h LYS 905 CO 0.00 0.67 -0.28 0.82 -0.57 0.00 0.00 179.45 180.10 1xow h ILE 906 N 0.47 1.53 0.00 1.86 2.04 -0.92 0.13 117.51 122.62 1xow h ILE 906 Ca 0.08 -1.94 -0.04 0.00 1.00 0.00 0.00 64.86 63.97 1xow h ILE 906 Cb 0.57 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1xow h ILE 906 CO 0.04 0.53 -0.17 -0.07 0.00 0.00 0.00 178.15 178.48 1xow h LEU 907 N -0.45 0.00 -0.63 1.44 3.38 -1.10 -2.01 115.31 115.94 1xow h LEU 907 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xow h LEU 907 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1xow h LEU 907 CO 0.05 0.17 -0.16 -1.54 0.09 0.00 0.00 178.44 177.06 1xow n SER 908 N -3.71 1.14 0.00 -0.43 3.41 0.08 -4.95 113.62 109.16 1xow n SER 908 Ca -0.02 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1xow n SER 908 Cb 0.29 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1xow n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xow n GLY 909 N 1.28 0.75 0.11 5.00 0.00 -0.76 -4.95 105.19 106.63 1xow n GLY 909 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1xow n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xow h LYS 910 N 3.25 0.09 -5.25 1.61 1.57 -0.99 -3.43 116.57 113.42 1xow h LYS 910 Ca 0.00 -0.10 -0.67 0.00 -1.87 0.00 0.00 60.65 58.01 1xow h LYS 910 Cb 0.00 0.03 -0.32 0.00 0.08 0.00 0.00 32.23 32.02 1xow h LYS 910 CO 0.00 0.86 -0.85 0.08 -0.57 0.00 0.00 179.45 178.98 1xow s VAL 911 N -3.22 2.31 0.06 0.50 1.01 -0.65 -0.82 120.40 119.59 1xow s VAL 911 Ca -0.02 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1xow s VAL 911 Cb 0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1xow s VAL 911 CO 0.81 0.54 -0.14 -0.54 0.00 0.00 0.00 175.10 175.77 1xow s LYS 912 N 0.63 0.84 0.62 2.72 1.02 -0.22 -4.37 119.74 120.97 1xow s LYS 912 Ca -0.11 -0.88 -0.16 0.00 0.02 0.00 0.00 55.97 54.85 1xow s LYS 912 Cb -0.16 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.29 1xow s LYS 912 CO 0.03 0.19 1.09 -1.25 -0.92 0.00 0.00 175.35 174.49 1xow s PRO 913 N -1.54 3.08 -0.36 -1.68 0.04 -1.26 -1.75 135.00 131.54 1xow s PRO 913 Ca -0.01 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 1xow s PRO 913 Cb -0.09 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 1xow s PRO 913 CO 0.02 -1.02 0.37 0.42 0.04 0.00 0.00 177.00 176.83 1xow s ILE 914 N -2.30 5.16 0.04 0.56 1.01 0.77 -4.89 121.20 121.55 1xow s ILE 914 Ca 0.66 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 61.16 1xow s ILE 914 Cb -0.19 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1xow s ILE 914 CO 0.37 -0.16 0.34 -0.31 0.00 0.00 0.00 174.94 175.18 1xow s TYR 915 N 2.02 3.59 -0.08 3.97 2.02 -1.26 -4.89 117.35 122.73 1xow s TYR 915 Ca 0.11 0.71 -0.25 0.00 -0.37 0.00 0.00 57.07 57.27 1xow s TYR 915 Cb -0.17 -2.09 -0.27 0.00 -0.40 0.00 0.00 41.96 39.03 1xow s TYR 915 CO 0.12 0.57 0.91 0.74 -1.57 0.00 0.00 175.55 176.32 1xow h PHE 916 N 3.94 0.28 -2.49 2.71 0.04 -1.97 -3.46 116.94 115.99 1xow h PHE 916 Ca -0.50 -0.18 -0.55 0.00 2.80 0.00 0.00 57.97 59.54 1xow h PHE 916 Cb 1.20 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.26 1xow h PHE 916 CO 0.68 1.08 -0.57 -1.01 -0.60 0.00 0.00 178.31 177.89 1xow s HIS 917 N -2.63 3.04 -0.00 -0.55 3.76 -1.26 -5.08 115.29 112.57 1xow s HIS 917 Ca -0.16 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 1xow s HIS 917 Cb -0.00 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 1xow s HIS 917 CO 0.76 0.53 1.14 0.99 -0.85 0.00 0.00 174.74 177.30 1xow s THR 918 N -1.95 4.35 -2.00 1.30 2.01 -1.26 -5.12 115.64 112.96 1xow s THR 918 Ca 0.31 1.68 0.31 0.00 0.31 0.00 0.00 61.69 64.29 1xow s THR 918 Cb -0.09 -4.07 0.88 0.00 0.01 0.00 0.00 72.50 69.22 1xow s THR 918 CO 0.23 0.08 2.16 0.00 -0.69 0.00 0.00 174.62 176.40