#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b5r h ILE 672 N 0.00 0.90 -0.32 4.25 2.04 -2.06 -0.82 117.51 121.51 3b5r h ILE 672 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3b5r h ILE 672 Cb 0.00 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3b5r h ILE 672 CO 0.00 0.03 0.21 0.15 0.00 0.00 0.00 178.15 178.54 3b5r h PHE 673 N 0.18 0.40 0.00 1.37 3.57 -2.04 -1.95 116.94 118.47 3b5r h PHE 673 Ca 0.12 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3b5r h PHE 673 Cb 0.11 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3b5r h PHE 673 CO -0.15 0.26 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.57 3b5r h LEU 674 N 0.42 0.00 -0.79 0.59 3.38 -1.98 -2.21 115.31 114.73 3b5r h LEU 674 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3b5r h LEU 674 Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3b5r h LEU 674 CO -0.02 0.56 0.47 0.78 0.09 0.00 0.00 178.44 180.32 3b5r h ASN 675 N 0.00 0.95 -0.18 -0.43 2.35 -0.83 -1.16 115.58 116.29 3b5r h ASN 675 Ca -0.01 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3b5r h ASN 675 Cb 0.99 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 3b5r h ASN 675 CO 0.07 0.74 -0.05 0.58 -1.65 0.00 0.00 177.43 177.12 3b5r h VAL 676 N 1.08 1.29 -0.75 2.81 2.07 -1.04 -1.56 116.25 120.15 3b5r h VAL 676 Ca 0.28 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3b5r h VAL 676 Cb -0.04 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3b5r h VAL 676 CO -0.05 0.31 0.49 -0.07 0.02 0.00 0.00 177.57 178.26 3b5r h LEU 677 N 0.06 0.88 -0.39 2.57 3.38 -1.17 -1.72 115.31 118.92 3b5r h LEU 677 Ca 0.05 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3b5r h LEU 677 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3b5r h LEU 677 CO 0.02 0.65 0.03 -0.08 0.09 0.00 0.00 178.44 179.15 3b5r h GLU 678 N 1.02 0.68 -0.35 1.13 4.81 -1.20 -2.81 114.58 117.86 3b5r h GLU 678 Ca 0.27 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3b5r h GLU 678 Cb -0.09 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3b5r h GLU 678 CO -0.06 0.75 0.23 0.00 -0.73 0.00 0.00 179.01 179.20 3b5r h ALA 679 N 0.90 1.79 -0.05 2.92 0.00 -0.77 -2.94 119.26 121.12 3b5r h ALA 679 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3b5r h ALA 679 Cb 0.42 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3b5r h ALA 679 CO 0.01 0.18 0.00 0.44 0.00 0.00 0.00 179.25 179.88 3b5r n ILE 680 N -4.49 0.02 -1.74 0.00 -5.35 -0.69 -4.96 119.36 102.16 3b5r n ILE 680 Ca 0.03 -0.51 -0.42 0.00 -0.27 0.00 0.00 62.75 61.58 3b5r n ILE 680 Cb 0.09 1.45 -0.03 0.00 -1.74 0.00 0.00 39.64 39.42 3b5r n ILE 680 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3b5r s GLU 681 N -1.98 3.96 0.57 6.28 2.56 -1.07 -4.72 118.70 124.31 3b5r s GLU 681 Ca 0.29 2.40 -0.18 0.00 0.00 0.00 0.00 54.97 57.48 3b5r s GLU 681 Cb 0.20 -4.16 -0.08 0.00 2.00 0.00 0.00 34.13 32.09 3b5r s GLU 681 CO 0.30 -1.15 0.62 -2.30 -0.56 0.00 0.00 175.26 172.18 3b5r n PRO 682 N 7.69 0.59 -0.16 4.30 -0.02 -1.26 -5.01 135.00 141.13 3b5r n PRO 682 Ca 0.21 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3b5r n PRO 682 Cb 0.42 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3b5r n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b5r n GLY 683 N 1.68 0.59 3.75 -1.23 0.00 -1.26 -5.02 105.19 103.69 3b5r n GLY 683 Ca 0.12 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3b5r n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b5r s VAL 684 N 0.75 2.63 -0.11 1.61 1.01 -1.26 -5.02 120.40 120.01 3b5r s VAL 684 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.53 3b5r s VAL 684 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3b5r s VAL 684 CO 0.00 0.09 -0.12 -0.69 0.00 0.00 0.00 175.10 174.37 3b5r s VAL 685 N -0.07 1.32 0.21 2.92 1.01 -1.26 -5.14 120.40 119.39 3b5r s VAL 685 Ca 0.59 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3b5r s VAL 685 Cb -0.42 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3b5r s VAL 685 CO 0.44 0.41 0.35 0.00 0.00 0.00 0.00 175.10 176.31 3b5r n ALA 687 N -0.96 1.64 -0.70 0.00 0.00 -1.26 -4.85 120.51 114.38 3b5r n ALA 687 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.69 3b5r n ALA 687 Cb 0.55 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3b5r n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b5r n GLY 688 N 1.50 0.58 3.77 0.00 0.00 -1.26 -4.55 105.19 105.23 3b5r n GLY 688 Ca -0.14 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 3b5r n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3b5r s HIS 689 N -2.00 2.62 -0.54 1.61 5.04 -1.26 -5.00 115.29 115.76 3b5r s HIS 689 Ca 0.00 1.54 -0.16 0.00 -1.54 0.00 0.00 55.06 54.90 3b5r s HIS 689 Cb 0.00 -3.31 0.12 0.00 0.04 0.00 0.00 32.58 29.43 3b5r s HIS 689 CO 0.00 -1.68 0.52 0.34 -2.34 0.00 0.00 174.74 171.58 3b5r s ASP 690 N -1.82 6.18 0.00 9.88 3.68 -1.26 -4.91 116.67 128.42 3b5r s ASP 690 Ca 0.73 -1.64 0.30 0.00 2.13 0.00 0.00 52.55 54.07 3b5r s ASP 690 Cb -0.24 -2.22 1.61 0.00 -1.45 0.00 0.00 42.92 40.62 3b5r s ASP 690 CO 0.29 -0.87 2.06 0.59 0.13 0.00 0.00 175.17 177.37 3b5r n ASN 691 N 5.44 0.42 -0.42 -0.34 3.02 -1.26 -3.02 115.26 119.10 3b5r n ASN 691 Ca -0.13 -1.17 0.13 0.00 -0.03 0.00 0.00 54.58 53.38 3b5r n ASN 691 Cb 0.41 -0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.87 3b5r n ASN 691 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3b5r n ASN 692 N -0.66 1.55 -4.81 6.41 3.02 -1.26 -4.86 115.26 114.64 3b5r n ASN 692 Ca 0.22 -1.27 -0.36 0.00 -0.03 0.00 0.00 54.58 53.14 3b5r n ASN 692 Cb 0.17 0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 3b5r n ASN 692 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3b5r s GLN 693 N -2.34 3.65 0.34 3.52 2.00 -1.17 -5.06 119.66 120.60 3b5r s GLN 693 Ca 0.26 -0.18 -0.28 0.00 -2.00 0.00 0.00 55.36 53.16 3b5r s GLN 693 Cb 0.19 -3.23 -0.12 0.00 0.80 0.00 0.00 33.01 30.65 3b5r s GLN 693 CO 0.47 0.62 1.24 -2.30 -0.50 0.00 0.00 175.29 174.82 3b5r n PRO 694 N 2.49 1.97 -1.69 1.67 -0.02 -1.26 -4.90 135.00 133.27 3b5r n PRO 694 Ca -0.19 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3b5r n PRO 694 Cb 0.54 -2.25 0.06 0.00 -0.02 0.00 0.00 33.50 31.84 3b5r n PRO 694 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3b5r n ASP 695 N 0.79 1.63 -3.49 2.55 10.43 -1.26 -5.03 116.55 122.17 3b5r n ASP 695 Ca 0.06 0.82 -0.15 0.00 2.57 0.00 0.00 54.79 58.09 3b5r n ASP 695 Cb 0.36 -1.50 -0.04 0.00 1.84 0.00 0.00 41.12 41.78 3b5r n ASP 695 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3b5r s SER 696 N -1.33 -0.58 0.06 -2.24 1.04 -1.26 -5.07 113.70 104.31 3b5r s SER 696 Ca 0.80 0.31 -0.29 0.00 0.48 0.00 0.00 55.95 57.25 3b5r s SER 696 Cb -0.39 0.56 -0.17 0.00 0.10 0.00 0.00 66.02 66.11 3b5r s SER 696 CO 0.43 -0.79 1.56 0.15 0.98 0.00 0.00 173.24 175.57 3b5r h PHE 697 N 2.52 -0.52 -0.60 5.02 3.57 -1.97 -2.02 116.94 122.94 3b5r h PHE 697 Ca -0.31 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.29 3b5r h PHE 697 Cb 1.23 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 40.05 3b5r h PHE 697 CO 0.31 -0.28 0.12 0.00 -2.23 0.00 0.00 178.31 176.23 3b5r h ALA 698 N -0.09 0.71 -0.21 2.41 0.00 -1.89 -0.28 119.26 119.91 3b5r h ALA 698 Ca -0.06 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 3b5r h ALA 698 Cb 0.48 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3b5r h ALA 698 CO 0.09 -0.31 -0.65 0.00 0.00 0.00 0.00 179.25 178.39 3b5r h ALA 699 N 1.49 0.36 -0.63 0.00 0.00 -1.90 -1.52 119.26 117.06 3b5r h ALA 699 Ca 0.32 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3b5r h ALA 699 Cb 0.48 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3b5r h ALA 699 CO -0.41 0.64 0.21 -0.07 0.00 0.00 0.00 179.25 179.62 3b5r h LEU 700 N 0.55 0.91 -0.42 0.00 3.38 -1.04 -1.51 115.31 117.19 3b5r h LEU 700 Ca -0.02 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.58 3b5r h LEU 700 Cb 1.27 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3b5r h LEU 700 CO 0.14 0.87 -0.50 -0.07 0.09 0.00 0.00 178.44 178.96 3b5r h LEU 701 N 0.90 0.84 -0.99 1.67 -0.00 -1.06 -0.24 115.31 116.43 3b5r h LEU 701 Ca 0.20 -0.43 -0.07 0.00 -0.00 0.00 0.00 57.88 57.58 3b5r h LEU 701 Cb 0.27 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 3b5r h LEU 701 CO -0.01 1.20 -0.01 0.28 -0.00 0.00 0.00 178.44 179.90 3b5r h SER 702 N 0.60 0.69 -0.02 -0.43 0.02 -1.16 0.21 113.55 113.45 3b5r h SER 702 Ca 0.02 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 3b5r h SER 702 Cb 1.08 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3b5r h SER 702 CO 0.11 0.76 -0.48 0.28 -1.14 0.00 0.00 176.83 176.36 3b5r h SER 703 N 0.67 0.62 -0.51 3.07 0.02 -1.10 -0.11 113.55 116.21 3b5r h SER 703 Ca 0.13 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 3b5r h SER 703 Cb 0.43 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3b5r h SER 703 CO 0.02 1.00 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.54 3b5r h LEU 704 N 0.46 0.98 0.07 5.07 3.38 -0.42 0.11 115.31 124.96 3b5r h LEU 704 Ca 0.03 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3b5r h LEU 704 Cb 1.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3b5r h LEU 704 CO 0.09 1.10 -0.03 0.78 0.09 0.00 0.00 178.44 180.47 3b5r h ASN 705 N 0.84 -0.08 -0.37 -0.43 2.35 -0.34 -0.04 115.58 117.50 3b5r h ASN 705 Ca 0.13 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3b5r h ASN 705 Cb 0.66 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 3b5r h ASN 705 CO 0.05 0.04 0.23 -0.08 -1.65 0.00 0.00 177.43 176.01 3b5r h GLU 706 N -0.20 0.45 -0.35 0.81 4.57 -0.93 -1.81 114.58 117.12 3b5r h GLU 706 Ca -0.01 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3b5r h GLU 706 Cb 0.17 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3b5r h GLU 706 CO 0.02 0.30 0.19 1.25 -1.18 0.00 0.00 179.01 179.59 3b5r h LEU 707 N 0.46 0.30 -0.71 1.64 5.85 -0.64 -0.73 115.31 121.48 3b5r h LEU 707 Ca 0.14 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.96 3b5r h LEU 707 Cb -0.01 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 3b5r h LEU 707 CO -0.06 0.22 0.38 1.23 -0.34 0.00 0.00 178.44 179.87 3b5r h GLY 708 N 0.39 1.06 1.18 3.75 0.00 -0.64 -0.23 103.07 108.58 3b5r h GLY 708 Ca 0.14 -0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3b5r h GLY 708 CO -0.08 0.10 0.03 -2.09 0.00 0.00 0.00 176.54 174.49 3b5r h GLU 709 N 0.66 0.99 -0.47 4.80 4.81 -0.87 -1.68 114.58 122.81 3b5r h GLU 709 Ca 0.34 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3b5r h GLU 709 Cb 0.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3b5r h GLU 709 CO -0.24 0.96 -0.03 0.00 -0.73 0.00 0.00 179.01 178.98 3b5r h ARG 710 N 0.92 0.85 -0.13 1.92 3.08 -0.30 -2.79 114.38 117.93 3b5r h ARG 710 Ca 0.17 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 3b5r h ARG 710 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3b5r h ARG 710 CO 0.02 0.91 -0.22 1.96 -1.07 0.00 0.00 179.97 181.57 3b5r h GLN 711 N 0.71 0.22 -0.69 0.04 4.20 -0.88 -2.56 115.11 116.14 3b5r h GLN 711 Ca 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3b5r h GLN 711 Cb 0.55 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3b5r h GLN 711 CO 0.03 0.44 0.38 1.25 -0.67 0.00 0.00 178.83 180.26 3b5r h LEU 712 N 0.20 0.85 -0.79 1.46 5.85 -1.04 0.15 115.31 122.00 3b5r h LEU 712 Ca 0.04 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3b5r h LEU 712 Cb 0.52 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3b5r h LEU 712 CO 0.04 0.69 0.46 0.58 -0.34 0.00 0.00 178.44 179.87 3b5r h VAL 713 N 0.97 0.99 0.02 1.05 2.07 -1.30 -1.43 116.25 118.61 3b5r h VAL 713 Ca 0.25 -0.29 -0.22 0.00 0.82 0.00 0.00 66.70 67.26 3b5r h VAL 713 Cb 0.03 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3b5r h VAL 713 CO -0.04 0.15 -0.96 0.45 0.02 0.00 0.00 177.57 177.19 3b5r h HIS 714 N 0.83 0.38 -0.58 1.57 3.86 -1.33 -2.99 115.15 116.89 3b5r h HIS 714 Ca 0.35 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3b5r h HIS 714 Cb 0.22 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 3b5r h HIS 714 CO -0.05 1.07 0.19 0.28 0.86 0.00 0.00 177.93 180.27 3b5r h VAL 715 N 0.12 1.22 -0.29 2.45 2.07 -0.23 0.16 116.25 121.77 3b5r h VAL 715 Ca -0.07 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 3b5r h VAL 715 Cb 1.62 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3b5r h VAL 715 CO 0.15 0.29 -0.12 0.58 0.02 0.00 0.00 177.57 178.49 3b5r h VAL 716 N 0.85 1.29 -0.57 2.57 2.07 -1.29 0.14 116.25 121.31 3b5r h VAL 716 Ca 0.19 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 3b5r h VAL 716 Cb 0.24 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3b5r h VAL 716 CO -0.01 0.38 0.06 0.11 0.02 0.00 0.00 177.57 178.13 3b5r h LYS 717 N 0.34 0.97 0.82 1.57 1.57 -1.33 -1.45 116.57 119.06 3b5r h LYS 717 Ca 0.07 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3b5r h LYS 717 Cb 0.63 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.85 3b5r h LYS 717 CO 0.04 0.94 -0.39 2.35 -0.57 0.00 0.00 179.45 181.82 3b5r h TRP 718 N 0.86 -1.02 -0.69 -1.35 7.01 -0.61 -2.93 115.95 117.23 3b5r h TRP 718 Ca 0.17 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.28 3b5r h TRP 718 Cb 0.46 0.34 -0.10 0.00 -2.10 0.00 0.00 29.16 27.76 3b5r h TRP 718 CO 0.03 -0.63 0.18 0.00 -2.79 0.00 0.00 178.44 175.24 3b5r h ALA 719 N -0.98 0.88 0.00 2.65 0.00 -0.64 -0.95 119.26 120.22 3b5r h ALA 719 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3b5r h ALA 719 Cb 0.85 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3b5r h ALA 719 CO 0.18 -0.30 0.00 0.87 0.00 0.00 0.00 179.25 180.01 3b5r h LYS 720 N 0.30 0.00 -0.02 0.00 1.57 -1.26 -2.31 116.57 114.85 3b5r h LYS 720 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3b5r h LYS 720 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3b5r h LYS 720 CO -0.45 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.31 3b5r n ALA 721 N -1.98 2.77 -1.85 3.86 0.00 -0.40 -4.69 120.51 118.24 3b5r n ALA 721 Ca 0.01 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 3b5r n ALA 721 Cb 0.25 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3b5r n ALA 721 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3b5r s LEU 722 N -2.15 4.47 0.06 0.00 2.96 -0.87 -4.94 118.68 118.21 3b5r s LEU 722 Ca 0.28 2.45 -0.34 0.00 -0.22 0.00 0.00 54.13 56.30 3b5r s LEU 722 Cb 0.20 -3.63 -0.13 0.00 0.50 0.00 0.00 46.19 43.13 3b5r s LEU 722 CO 0.38 -0.39 1.72 -2.65 -1.32 0.00 0.00 176.35 174.10 3b5r n PRO 723 N 1.49 2.21 0.00 0.98 -0.02 -1.26 -1.96 135.00 136.44 3b5r n PRO 723 Ca 0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3b5r n PRO 723 Cb 0.43 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3b5r n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b5r n GLY 724 N 3.88 2.86 0.28 -1.23 0.00 -1.26 -4.90 105.19 104.81 3b5r n GLY 724 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 3b5r n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3b5r h PHE 725 N 0.00 0.72 0.00 1.61 3.57 -1.69 -0.93 116.94 120.22 3b5r h PHE 725 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3b5r h PHE 725 Cb 0.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.53 3b5r h PHE 725 CO 0.00 0.29 0.00 0.54 -2.23 0.00 0.00 178.31 176.91 3b5r n ARG 726 N -4.81 0.13 0.18 1.11 5.12 -1.26 -1.51 116.66 115.62 3b5r n ARG 726 Ca 0.11 0.62 0.02 0.00 -1.93 0.00 0.00 57.85 56.67 3b5r n ARG 726 Cb 0.26 -1.92 0.32 0.00 -1.16 0.00 0.00 32.46 29.96 3b5r n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 3b5r h ASN 727 N 0.00 0.00 -4.13 0.55 -0.26 -1.56 -3.44 115.58 106.74 3b5r h ASN 727 Ca 0.00 -0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.21 3b5r h ASN 727 Cb 0.02 -0.00 0.12 0.00 -1.06 0.00 0.00 38.32 37.40 3b5r h ASN 727 CO 0.00 0.42 0.44 -0.76 -1.06 0.00 0.00 177.43 176.48 3b5r s LEU 728 N -8.07 3.55 0.66 1.61 1.43 -0.57 -4.96 118.68 112.33 3b5r s LEU 728 Ca -0.02 2.35 -0.17 0.00 -1.03 0.00 0.00 54.13 55.25 3b5r s LEU 728 Cb 0.14 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.77 3b5r s LEU 728 CO 0.73 -1.77 1.24 -2.28 0.23 0.00 0.00 176.35 174.51 3b5r s HIS 729 N -1.76 2.16 0.25 0.29 5.65 -1.26 -4.75 115.29 115.87 3b5r s HIS 729 Ca 0.76 1.53 -0.03 0.00 0.25 0.00 0.00 55.06 57.57 3b5r s HIS 729 Cb -0.29 -3.55 0.44 0.00 -1.18 0.00 0.00 32.58 27.99 3b5r s HIS 729 CO 0.37 -2.60 1.80 0.28 -0.65 0.00 0.00 174.74 173.94 3b5r h VAL 730 N 0.35 0.86 -0.24 0.89 2.07 -1.93 -0.59 116.25 117.67 3b5r h VAL 730 Ca -0.50 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 66.64 3b5r h VAL 730 Cb 1.31 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3b5r h VAL 730 CO 0.52 0.14 -0.38 0.44 0.02 0.00 0.00 177.57 178.32 3b5r h ASP 731 N 0.76 0.57 -0.45 0.57 3.45 -2.00 -2.90 116.42 116.42 3b5r h ASP 731 Ca 0.42 -0.24 -0.14 0.00 0.43 0.00 0.00 57.03 57.50 3b5r h ASP 731 Cb 0.44 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3b5r h ASP 731 CO -0.28 0.89 -0.27 0.44 -1.57 0.00 0.00 179.24 178.46 3b5r h ASP 732 N 0.45 1.02 -0.18 6.45 3.32 -1.68 -1.87 116.42 123.92 3b5r h ASP 732 Ca 0.04 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.73 3b5r h ASP 732 Cb 0.86 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 3b5r h ASP 732 CO 0.07 1.21 -0.10 1.56 -1.72 0.00 0.00 179.24 180.27 3b5r h GLN 733 N 0.83 -0.08 -0.45 3.56 4.20 -0.99 -0.25 115.11 121.93 3b5r h GLN 733 Ca 0.10 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 3b5r h GLN 733 Cb 0.85 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 3b5r h GLN 733 CO 0.08 -0.05 0.03 1.98 -0.67 0.00 0.00 178.83 180.19 3b5r h MET 734 N -0.08 0.78 -0.37 1.46 4.05 -1.48 -2.47 114.93 116.81 3b5r h MET 734 Ca 0.10 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 3b5r h MET 734 Cb 0.23 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 3b5r h MET 734 CO -0.23 0.82 0.17 0.00 0.23 0.00 0.00 176.91 177.90 3b5r h ALA 735 N 0.93 0.48 -0.36 0.39 0.00 -1.07 -1.57 119.26 118.06 3b5r h ALA 735 Ca 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3b5r h ALA 735 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3b5r h ALA 735 CO 0.02 0.05 -0.04 0.28 0.00 0.00 0.00 179.25 179.56 3b5r h VAL 736 N 0.46 1.22 0.01 0.00 2.07 -1.04 -0.45 116.25 118.52 3b5r h VAL 736 Ca 0.13 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3b5r h VAL 736 Cb 0.13 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3b5r h VAL 736 CO -0.02 0.31 -0.01 0.40 0.02 0.00 0.00 177.57 178.28 3b5r h ILE 737 N 0.55 1.33 -0.97 4.57 2.04 -1.23 -1.94 117.51 121.86 3b5r h ILE 737 Ca 0.11 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.94 3b5r h ILE 737 Cb 0.42 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 3b5r h ILE 737 CO 0.02 0.27 0.64 1.56 0.00 0.00 0.00 178.15 180.64 3b5r h GLN 738 N -0.47 1.25 -0.24 2.37 4.20 -1.10 0.20 115.11 121.33 3b5r h GLN 738 Ca -0.00 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 3b5r h GLN 738 Cb 0.45 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3b5r h GLN 738 CO 0.00 0.83 -0.23 1.88 -0.67 0.00 0.00 178.83 180.64 3b5r h TYR 739 N 1.29 0.69 0.00 2.96 0.05 -1.09 -3.24 116.97 117.63 3b5r h TYR 739 Ca 0.36 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.94 3b5r h TYR 739 Cb -0.11 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.48 3b5r h TYR 739 CO -0.00 0.91 0.00 0.77 -1.05 0.00 0.00 178.16 178.79 3b5r h SER 740 N 0.28 0.00 -0.98 3.88 0.02 -1.12 -3.39 113.55 112.24 3b5r h SER 740 Ca 0.04 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.12 3b5r h SER 740 Cb 0.79 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.18 3b5r h SER 740 CO 0.06 0.00 -0.44 1.87 -1.14 0.00 0.00 176.83 177.18 3b5r n TRP 741 N -2.60 -0.10 0.23 3.45 -0.00 0.69 -1.37 117.44 117.74 3b5r n TRP 741 Ca 0.04 1.22 -0.15 0.00 -0.00 0.00 0.00 57.50 58.60 3b5r n TRP 741 Cb 0.43 -0.79 -0.08 0.00 -0.00 0.00 0.00 31.31 30.87 3b5r n TRP 741 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 3b5r h MET 742 N 0.00 -0.50 -0.69 5.87 4.05 -1.82 -2.55 114.93 119.29 3b5r h MET 742 Ca 0.29 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.82 3b5r h MET 742 Cb 0.54 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.39 3b5r h MET 742 CO -0.96 -0.32 0.36 0.78 0.23 0.00 0.00 176.91 177.00 3b5r h GLY 743 N -0.55 1.02 0.91 1.39 0.00 -1.71 -0.96 103.07 103.17 3b5r h GLY 743 Ca -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3b5r h GLY 743 CO 0.09 0.11 0.66 1.41 0.00 0.00 0.00 176.54 178.81 3b5r h LEU 744 N 0.65 1.11 -0.40 3.11 3.38 -1.13 -0.31 115.31 121.72 3b5r h LEU 744 Ca 0.32 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.14 3b5r h LEU 744 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3b5r h LEU 744 CO -0.22 0.77 -0.29 0.24 0.09 0.00 0.00 178.44 179.03 3b5r h MET 745 N 1.29 0.90 -0.29 1.13 2.86 -0.94 -2.33 114.93 117.56 3b5r h MET 745 Ca 0.39 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3b5r h MET 745 Cb -0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3b5r h MET 745 CO -0.12 1.09 0.16 0.28 1.06 0.00 0.00 176.91 179.39 3b5r h VAL 746 N 0.72 1.02 -0.02 -2.22 2.07 -0.58 0.15 116.25 117.39 3b5r h VAL 746 Ca 0.08 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3b5r h VAL 746 Cb 0.87 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3b5r h VAL 746 CO 0.08 0.06 0.01 0.15 0.02 0.00 0.00 177.57 177.89 3b5r h PHE 747 N 0.34 0.03 -0.33 1.57 3.57 -1.03 -1.16 116.94 119.94 3b5r h PHE 747 Ca 0.11 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3b5r h PHE 747 Cb 0.01 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3b5r h PHE 747 CO -0.08 0.17 -0.13 0.00 -2.23 0.00 0.00 178.31 176.04 3b5r h ALA 748 N 0.86 1.17 -0.50 2.41 0.00 -1.35 -2.23 119.26 119.62 3b5r h ALA 748 Ca 0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 3b5r h ALA 748 Cb 0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3b5r h ALA 748 CO -0.00 0.53 0.05 1.98 0.00 0.00 0.00 179.25 181.81 3b5r h MET 749 N 0.52 0.85 -0.83 0.00 1.85 -0.78 0.23 114.93 116.78 3b5r h MET 749 Ca 0.09 -0.24 -0.02 0.00 -0.61 0.00 0.00 59.70 58.92 3b5r h MET 749 Cb 0.53 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.43 3b5r h MET 749 CO 0.03 0.86 0.44 0.78 -0.40 0.00 0.00 176.91 178.62 3b5r h GLY 750 N 0.72 1.24 0.88 1.39 0.00 -0.98 0.15 103.07 106.47 3b5r h GLY 750 Ca 0.15 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3b5r h GLY 750 CO 0.02 0.54 -0.05 -0.25 0.00 0.00 0.00 176.54 176.80 3b5r h TRP 751 N 1.16 0.62 -0.61 5.60 2.91 -0.99 -1.35 115.95 123.30 3b5r h TRP 751 Ca 0.29 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 60.16 3b5r h TRP 751 Cb 0.04 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 28.51 3b5r h TRP 751 CO 0.01 0.74 0.27 0.00 -1.03 0.00 0.00 178.44 178.43 3b5r h ARG 752 N 0.33 0.87 -0.69 2.65 3.08 -0.54 -0.59 114.38 119.49 3b5r h ARG 752 Ca 0.08 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3b5r h ARG 752 Cb 0.52 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3b5r h ARG 752 CO 0.03 0.69 0.18 0.77 -1.07 0.00 0.00 179.97 180.56 3b5r h SER 753 N 0.86 1.04 0.32 7.04 0.02 -0.50 -0.43 113.55 121.91 3b5r h SER 753 Ca 0.21 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3b5r h SER 753 Cb 0.12 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3b5r h SER 753 CO -0.02 1.00 -0.16 0.15 -1.14 0.00 0.00 176.83 176.66 3b5r h PHE 754 N 1.03 -0.40 -0.52 3.45 3.57 -0.57 -0.49 116.94 123.01 3b5r h PHE 754 Ca 0.22 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3b5r h PHE 754 Cb 0.36 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3b5r h PHE 754 CO 0.03 -0.06 0.09 1.79 -2.23 0.00 0.00 178.31 177.93 3b5r h THR 755 N -0.85 1.25 0.06 4.41 1.35 -1.15 -1.45 112.91 116.53 3b5r h THR 755 Ca -0.04 -0.93 -0.10 0.00 -0.55 0.00 0.00 66.41 64.79 3b5r h THR 755 Cb 0.52 0.85 0.01 0.00 -1.73 0.00 0.00 68.15 67.80 3b5r h THR 755 CO 0.07 0.34 -0.41 0.78 -0.25 0.00 0.00 175.52 176.05 3b5r h ASN 756 N 0.74 0.26 0.00 5.36 2.35 -1.18 -3.40 115.58 119.71 3b5r h ASN 756 Ca 0.16 -0.93 -0.00 0.00 -0.55 0.00 0.00 56.30 54.97 3b5r h ASN 756 Cb 0.39 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3b5r h ASN 756 CO 0.01 1.17 -0.09 1.33 -1.65 0.00 0.00 177.43 178.20 3b5r n VAL 757 N -4.37 1.72 -4.14 2.81 0.24 -0.90 -4.99 118.33 108.69 3b5r n VAL 757 Ca -0.12 -2.11 -0.33 0.00 -2.04 0.00 0.00 64.34 59.75 3b5r n VAL 757 Cb 0.64 -0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3b5r n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3b5r n ASN 758 N -1.26 -2.22 -0.07 -1.34 5.15 -0.54 -0.63 115.26 114.34 3b5r n ASN 758 Ca 0.15 -1.02 -0.01 0.00 -0.60 0.00 0.00 54.58 53.10 3b5r n ASN 758 Cb 0.65 -2.82 -0.00 0.00 -0.53 0.00 0.00 39.78 37.08 3b5r n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3b5r n SER 759 N -2.77 -5.43 0.10 1.20 7.64 -0.24 -4.84 113.62 109.28 3b5r n SER 759 Ca -0.06 0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.85 3b5r n SER 759 Cb 0.56 -3.01 0.33 0.00 -1.01 0.00 0.00 64.21 61.09 3b5r n SER 759 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3b5r h ARG 760 N 0.17 0.25 -4.18 1.43 9.65 -1.11 -3.45 114.38 117.15 3b5r h ARG 760 Ca -0.02 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.62 3b5r h ARG 760 Cb 0.83 -0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 29.26 3b5r h ARG 760 CO 0.03 0.46 -0.38 -1.64 2.80 0.00 0.00 179.97 181.24 3b5r s MET 761 N -4.56 1.41 -0.35 0.20 -1.94 -1.26 -4.93 119.30 107.86 3b5r s MET 761 Ca -0.05 -1.49 -0.17 0.00 -1.71 0.00 0.00 55.69 52.27 3b5r s MET 761 Cb 0.15 0.37 -0.01 0.00 2.01 0.00 0.00 34.83 37.35 3b5r s MET 761 CO 0.75 -0.53 0.43 -0.51 -0.01 0.00 0.00 175.02 175.15 3b5r s LEU 762 N -3.11 4.43 -1.30 -0.03 1.43 -0.90 -4.78 118.68 114.41 3b5r s LEU 762 Ca 0.32 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 3b5r s LEU 762 Cb 0.03 -2.45 0.13 0.00 0.03 0.00 0.00 46.19 43.94 3b5r s LEU 762 CO 0.12 -0.41 1.83 0.00 0.23 0.00 0.00 176.35 178.12 3b5r n TYR 763 N 5.55 3.70 -0.27 0.29 9.36 -1.26 -1.05 117.16 133.48 3b5r n TYR 763 Ca -0.07 -2.96 -0.05 0.00 3.32 0.00 0.00 57.90 58.13 3b5r n TYR 763 Cb 0.49 -2.20 0.06 0.00 -0.63 0.00 0.00 39.34 37.06 3b5r n TYR 763 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3b5r h PHE 764 N 6.30 1.00 -2.58 2.98 -1.00 -1.76 -3.42 116.94 118.46 3b5r h PHE 764 Ca 0.42 -0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.24 3b5r h PHE 764 Cb 0.71 -0.32 -0.14 0.00 3.61 0.00 0.00 35.95 39.81 3b5r h PHE 764 CO 1.28 0.70 0.37 0.00 -1.61 0.00 0.00 178.31 179.05 3b5r s ALA 765 N -5.89 -1.72 0.42 2.45 0.00 -0.93 -4.96 121.76 111.13 3b5r s ALA 765 Ca -0.13 0.75 0.18 0.00 0.00 0.00 0.00 51.96 52.76 3b5r s ALA 765 Cb 0.15 0.62 1.10 0.00 0.00 0.00 0.00 23.12 24.99 3b5r s ALA 765 CO 0.80 -0.74 1.86 -1.35 0.00 0.00 0.00 175.76 176.32 3b5r h PRO 766 N 2.00 0.37 -0.49 0.00 0.11 -1.89 0.85 132.00 132.96 3b5r h PRO 766 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3b5r h PRO 766 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b5r h PRO 766 CO 0.33 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 3b5r n ASP 767 N -4.50 5.06 -2.99 -2.05 5.75 -1.26 -4.62 116.55 111.94 3b5r n ASP 767 Ca 0.19 -2.88 -0.14 0.00 -0.01 0.00 0.00 54.79 51.96 3b5r n ASP 767 Cb 0.71 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 3b5r n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3b5r n LEU 768 N 0.37 -2.04 -4.43 -2.12 7.94 0.29 -4.49 117.00 112.52 3b5r n LEU 768 Ca 0.25 -3.64 -0.35 0.00 -1.11 0.00 0.00 56.01 51.17 3b5r n LEU 768 Cb 1.06 0.70 -0.13 0.00 0.53 0.00 0.00 43.42 45.59 3b5r n LEU 768 CO 0.26 1.95 -0.34 -0.69 -1.11 0.00 0.00 177.39 177.45 3b5r s VAL 769 N 0.34 3.85 -0.22 1.96 1.01 -1.24 -2.15 120.40 123.95 3b5r s VAL 769 Ca 0.32 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3b5r s VAL 769 Cb 0.08 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3b5r s VAL 769 CO -0.14 0.44 0.38 -0.36 0.00 0.00 0.00 175.10 175.42 3b5r s PHE 770 N 0.96 3.34 0.48 5.22 0.40 -0.21 -4.94 117.98 123.24 3b5r s PHE 770 Ca 0.01 0.55 0.06 0.00 -0.60 0.00 0.00 56.93 56.95 3b5r s PHE 770 Cb -0.14 -2.52 0.09 0.00 0.51 0.00 0.00 43.02 40.95 3b5r s PHE 770 CO 0.01 -0.05 0.67 0.27 0.70 0.00 0.00 175.22 176.82 3b5r n ASN 771 N 4.66 1.51 -0.18 1.36 0.23 -1.26 -2.13 115.26 119.45 3b5r n ASN 771 Ca -0.09 -2.13 -0.00 0.00 -0.53 0.00 0.00 54.58 51.83 3b5r n ASN 771 Cb 0.51 -0.38 0.23 0.00 -2.08 0.00 0.00 39.78 38.07 3b5r n ASN 771 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3b5r h GLU 772 N 0.00 0.92 -0.52 -3.83 4.39 -1.98 -0.98 114.58 112.58 3b5r h GLU 772 Ca -0.22 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.41 3b5r h GLU 772 Cb 0.98 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 3b5r h GLU 772 CO 0.30 0.67 0.31 -0.92 -1.16 0.00 0.00 179.01 178.21 3b5r h TYR 773 N 0.93 0.57 -0.19 4.33 3.20 -1.99 0.31 116.97 124.13 3b5r h TYR 773 Ca 0.24 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.99 3b5r h TYR 773 Cb 0.02 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3b5r h TYR 773 CO 0.01 0.32 -0.46 -0.09 -1.64 0.00 0.00 178.16 176.30 3b5r h ARG 774 N 0.61 0.49 -0.69 1.82 2.43 -1.83 0.11 114.38 117.32 3b5r h ARG 774 Ca 0.21 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3b5r h ARG 774 Cb 0.03 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3b5r h ARG 774 CO -0.10 0.85 0.42 0.52 -1.51 0.00 0.00 179.97 180.15 3b5r h MET 775 N 0.39 0.94 -0.29 0.20 2.86 -0.56 -0.23 114.93 118.24 3b5r h MET 775 Ca 0.02 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 3b5r h MET 775 Cb 0.96 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3b5r h MET 775 CO 0.08 0.66 -0.39 1.25 1.06 0.00 0.00 176.91 179.58 3b5r h HIS 776 N 0.94 0.95 0.00 -0.22 -0.00 -0.65 -2.93 115.15 113.24 3b5r h HIS 776 Ca 0.25 -0.31 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 3b5r h HIS 776 Cb -0.04 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 3b5r h HIS 776 CO -0.01 1.10 -0.20 -0.22 -0.00 0.00 0.00 177.93 178.59 3b5r h LYS 777 N 0.53 0.00 0.00 5.26 3.64 -0.49 -2.59 116.57 122.92 3b5r h LYS 777 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3b5r h LYS 777 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3b5r h LYS 777 CO 0.09 0.20 0.00 -1.13 -2.27 0.00 0.00 179.45 176.34 3b5r n SER 778 N -3.39 0.00 -0.64 4.20 3.41 -0.12 -4.29 113.62 112.78 3b5r n SER 778 Ca -0.00 0.50 -0.08 0.00 -0.26 0.00 0.00 58.87 59.03 3b5r n SER 778 Cb 0.40 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3b5r n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b5r n ARG 779 N -1.50 -1.00 -1.27 4.33 1.74 -0.98 -4.85 116.66 113.13 3b5r n ARG 779 Ca 0.06 0.73 -0.09 0.00 -0.77 0.00 0.00 57.85 57.78 3b5r n ARG 779 Cb 0.32 -4.72 0.12 0.00 -1.02 0.00 0.00 32.46 27.15 3b5r n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3b5r n MET 780 N -1.92 2.54 -0.06 5.56 2.81 -1.22 -4.87 117.12 119.95 3b5r n MET 780 Ca -0.08 -3.68 -0.08 0.00 -1.81 0.00 0.00 57.70 52.05 3b5r n MET 780 Cb 0.38 -1.95 -0.02 0.00 -0.71 0.00 0.00 33.22 30.92 3b5r n MET 780 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3b5r h TYR 781 N 1.55 0.15 -0.89 2.03 5.03 -1.82 -1.04 116.97 121.97 3b5r h TYR 781 Ca 0.20 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.52 3b5r h TYR 781 Cb 1.30 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 39.50 3b5r h TYR 781 CO 0.85 0.07 0.53 0.66 -1.32 0.00 0.00 178.16 178.95 3b5r h SER 782 N 0.19 1.08 -0.19 -2.11 4.64 -1.90 -0.90 113.55 114.36 3b5r h SER 782 Ca 0.11 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3b5r h SER 782 Cb 0.08 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 3b5r h SER 782 CO -0.11 0.84 -0.00 1.56 -0.87 0.00 0.00 176.83 178.25 3b5r h GLN 783 N 1.23 0.34 -0.84 4.77 7.50 -1.91 -2.38 115.11 123.82 3b5r h GLN 783 Ca 0.32 -0.11 0.04 0.00 0.50 0.00 0.00 58.65 59.40 3b5r h GLN 783 Cb -0.04 -0.03 -0.05 0.00 0.05 0.00 0.00 27.48 27.41 3b5r h GLN 783 CO -0.06 0.55 0.53 0.00 -1.50 0.00 0.00 178.83 178.35 3b5r h VAL 785 N 1.01 1.26 -0.54 0.00 2.07 -1.07 -0.58 116.25 118.40 3b5r h VAL 785 Ca 0.35 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3b5r h VAL 785 Cb 0.07 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3b5r h VAL 785 CO -0.14 0.33 0.11 0.03 0.02 0.00 0.00 177.57 177.93 3b5r h ARG 786 N 1.16 0.84 0.00 1.57 3.08 -0.84 -1.70 114.38 118.49 3b5r h ARG 786 Ca 0.27 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3b5r h ARG 786 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3b5r h ARG 786 CO -0.02 0.77 -0.42 0.52 -1.07 0.00 0.00 179.97 179.75 3b5r h MET 787 N 0.81 0.00 -0.22 0.04 2.86 -0.68 -1.97 114.93 115.77 3b5r h MET 787 Ca 0.17 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.63 3b5r h MET 787 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3b5r h MET 787 CO 0.00 0.42 -0.58 -0.09 1.06 0.00 0.00 176.91 177.73 3b5r h ARG 788 N 0.00 0.72 -0.57 1.72 1.12 -0.51 -0.78 114.38 116.07 3b5r h ARG 788 Ca -0.00 -0.47 -0.09 0.00 -1.11 0.00 0.00 59.98 58.30 3b5r h ARG 788 Cb 0.98 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.98 3b5r h ARG 788 CO 0.06 1.09 -0.00 1.25 -3.11 0.00 0.00 179.97 179.26 3b5r h HIS 789 N 0.54 1.08 -0.64 2.20 2.76 -1.11 -1.69 115.15 118.29 3b5r h HIS 789 Ca 0.00 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 3b5r h HIS 789 Cb 1.16 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 3b5r h HIS 789 CO 0.06 0.96 0.31 1.25 -1.30 0.00 0.00 177.93 179.21 3b5r h LEU 790 N 0.91 0.83 -0.76 0.26 5.85 -1.16 -1.18 115.31 120.06 3b5r h LEU 790 Ca 0.17 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3b5r h LEU 790 Cb 0.53 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3b5r h LEU 790 CO 0.03 0.73 0.46 -1.28 -0.34 0.00 0.00 178.44 178.03 3b5r h SER 791 N 0.88 0.71 0.31 1.25 0.87 -0.70 -1.07 113.55 115.79 3b5r h SER 791 Ca 0.22 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 3b5r h SER 791 Cb 0.11 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3b5r h SER 791 CO -0.03 0.46 -0.38 1.56 -0.53 0.00 0.00 176.83 177.92 3b5r h GLN 792 N 0.85 0.10 -0.77 2.24 4.20 -0.72 -2.82 115.11 118.20 3b5r h GLN 792 Ca 0.33 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 59.04 3b5r h GLN 792 Cb 0.15 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3b5r h GLN 792 CO -0.17 0.47 0.48 0.93 -0.67 0.00 0.00 178.83 179.87 3b5r h GLU 793 N 0.09 0.89 -0.95 1.46 4.39 0.01 0.82 114.58 121.29 3b5r h GLU 793 Ca 0.01 -0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.80 3b5r h GLU 793 Cb 0.71 -0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 3b5r h GLU 793 CO 0.05 0.59 0.60 0.74 -1.16 0.00 0.00 179.01 179.83 3b5r h PHE 794 N 0.92 0.96 0.01 4.33 0.04 -1.22 0.13 116.94 122.11 3b5r h PHE 794 Ca 0.31 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.11 3b5r h PHE 794 Cb 0.06 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.91 3b5r h PHE 794 CO -0.04 0.34 -0.01 0.78 -0.60 0.00 0.00 178.31 178.79 3b5r h GLY 795 N 0.80 -0.02 0.69 -1.45 0.00 -1.34 0.17 103.07 101.92 3b5r h GLY 795 Ca 0.49 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.90 3b5r h GLY 795 CO -0.25 -0.01 0.62 1.49 0.00 0.00 0.00 176.54 178.39 3b5r h TRP 796 N -0.91 1.14 -0.01 5.60 6.55 -0.57 -0.53 115.95 127.22 3b5r h TRP 796 Ca -0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3b5r h TRP 796 Cb 0.81 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 3b5r h TRP 796 CO 0.22 0.57 -0.03 1.28 -1.05 0.00 0.00 178.44 179.42 3b5r n LEU 797 N -4.55 1.01 -3.79 -4.49 4.77 0.43 -4.95 117.00 105.43 3b5r n LEU 797 Ca 0.15 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.58 3b5r n LEU 797 Cb 0.21 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3b5r n LEU 797 CO 0.31 0.17 -0.13 0.00 -1.33 0.00 0.00 177.39 176.41 3b5r n GLN 798 N -0.28 -3.67 -2.06 3.23 6.02 -0.21 -4.88 117.38 115.52 3b5r n GLN 798 Ca 0.19 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.28 3b5r n GLN 798 Cb 0.29 -4.78 -0.03 0.00 1.02 0.00 0.00 30.24 26.74 3b5r n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3b5r s ILE 799 N -3.75 2.95 0.44 5.09 -1.09 0.01 -5.00 121.20 119.85 3b5r s ILE 799 Ca 0.08 0.71 -0.06 0.00 -2.23 0.00 0.00 60.65 59.15 3b5r s ILE 799 Cb -0.03 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3b5r s ILE 799 CO 0.85 0.07 0.75 0.42 -1.23 0.00 0.00 174.94 175.79 3b5r s THR 800 N 0.90 4.91 0.51 2.92 -4.23 -1.26 -4.92 115.64 114.47 3b5r s THR 800 Ca 0.65 0.21 0.20 0.00 -1.18 0.00 0.00 61.69 61.58 3b5r s THR 800 Cb -0.40 -3.83 0.34 0.00 1.34 0.00 0.00 72.50 69.95 3b5r s THR 800 CO 0.33 -0.73 2.05 -0.65 -0.54 0.00 0.00 174.62 175.07 3b5r h PRO 801 N 0.54 0.06 0.18 3.99 0.11 -1.99 -0.14 132.00 134.75 3b5r h PRO 801 Ca -0.47 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 3b5r h PRO 801 Cb 1.20 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.33 3b5r h PRO 801 CO 0.62 0.04 -1.34 1.96 -0.21 0.00 0.00 178.00 179.07 3b5r h GLN 802 N 0.06 0.51 -0.67 1.05 7.50 -1.99 -1.99 115.11 119.57 3b5r h GLN 802 Ca 0.16 -0.79 -0.07 0.00 0.50 0.00 0.00 58.65 58.46 3b5r h GLN 802 Cb 0.58 0.28 -0.03 0.00 0.05 0.00 0.00 27.48 28.36 3b5r h GLN 802 CO -0.01 1.36 0.14 0.93 -1.50 0.00 0.00 178.83 179.76 3b5r h GLU 803 N 0.18 1.09 0.09 1.46 5.08 -1.77 -2.05 114.58 118.66 3b5r h GLU 803 Ca -0.20 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3b5r h GLU 803 Cb 2.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 3b5r h GLU 803 CO 0.25 0.99 -0.08 0.35 -1.00 0.00 0.00 179.01 179.51 3b5r h PHE 804 N 1.02 -0.21 -0.88 4.33 3.57 -1.06 0.12 116.94 123.82 3b5r h PHE 804 Ca 0.21 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.76 3b5r h PHE 804 Cb 0.40 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 3b5r h PHE 804 CO 0.03 -0.13 0.56 -0.07 -2.23 0.00 0.00 178.31 176.47 3b5r h LEU 805 N -0.19 0.91 -0.04 0.59 3.38 -1.19 0.07 115.31 118.84 3b5r h LEU 805 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 3b5r h LEU 805 Cb 0.18 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.76 3b5r h LEU 805 CO -0.02 0.60 -1.03 0.00 0.09 0.00 0.00 178.44 178.09 3b5r h MET 807 N 0.35 0.71 -0.38 0.00 2.86 -0.50 -1.40 114.93 116.58 3b5r h MET 807 Ca -0.12 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 3b5r h MET 807 Cb 1.67 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 3b5r h MET 807 CO 0.20 0.65 -0.10 -0.22 1.06 0.00 0.00 176.91 178.49 3b5r h LYS 808 N 0.68 0.74 -0.83 1.72 3.64 -0.95 -1.77 116.57 119.80 3b5r h LYS 808 Ca 0.15 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3b5r h LYS 808 Cb 0.27 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3b5r h LYS 808 CO -0.00 0.89 0.39 0.00 -2.27 0.00 0.00 179.45 178.46 3b5r h ALA 809 N 0.83 1.13 -0.86 5.00 0.00 -1.19 -2.32 119.26 121.85 3b5r h ALA 809 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3b5r h ALA 809 Cb 0.63 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3b5r h ALA 809 CO 0.04 0.66 0.54 1.25 0.00 0.00 0.00 179.25 181.73 3b5r h LEU 810 N 1.18 1.01 -1.09 0.00 6.46 -1.06 -2.40 115.31 119.41 3b5r h LEU 810 Ca 0.28 -0.05 0.17 0.00 -0.12 0.00 0.00 57.88 58.17 3b5r h LEU 810 Cb 0.13 -0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 39.71 3b5r h LEU 810 CO -0.03 0.76 0.61 -0.07 -0.62 0.00 0.00 178.44 179.09 3b5r h LEU 811 N 1.17 0.76 -2.60 2.25 3.38 -0.74 0.19 115.31 119.72 3b5r h LEU 811 Ca 0.31 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 3b5r h LEU 811 Cb -0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3b5r h LEU 811 CO -0.06 0.31 -0.00 0.25 0.09 0.00 0.00 178.44 179.03 3b5r h LEU 812 N 0.76 0.00 -3.85 1.67 5.85 -1.35 -1.96 115.31 116.43 3b5r h LEU 812 Ca 0.54 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.66 3b5r h LEU 812 Cb 0.84 0.00 -0.37 0.00 0.37 0.00 0.00 40.66 41.50 3b5r h LEU 812 CO -0.32 0.00 -0.14 0.49 -0.34 0.00 0.00 178.44 178.14 3b5r n PHE 813 N -3.63 2.94 -1.25 1.25 3.72 0.67 -4.66 117.46 116.51 3b5r n PHE 813 Ca -0.03 -2.55 0.08 0.00 -0.05 0.00 0.00 57.45 54.91 3b5r n PHE 813 Cb 0.08 -0.79 0.12 0.00 -0.94 0.00 0.00 39.48 37.96 3b5r n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3b5r n SER 814 N -0.80 1.96 -3.52 4.37 7.64 -0.74 -4.92 113.62 117.62 3b5r n SER 814 Ca 0.52 -2.96 -0.08 0.00 1.01 0.00 0.00 58.87 57.36 3b5r n SER 814 Cb 0.85 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.56 3b5r n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3b5r s ILE 815 N -2.44 -0.66 0.14 0.44 2.07 -1.26 0.92 121.20 120.41 3b5r s ILE 815 Ca 0.28 0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.62 3b5r s ILE 815 Cb 0.24 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 3b5r s ILE 815 CO 0.02 -0.01 -0.09 0.27 -1.91 0.00 0.00 174.94 173.22 3b5r s ILE 816 N 2.61 1.07 0.25 2.00 -4.36 -0.03 -4.90 121.20 117.84 3b5r s ILE 816 Ca 0.05 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 3b5r s ILE 816 Cb -0.13 -1.80 -0.09 0.00 1.25 0.00 0.00 42.46 41.68 3b5r s ILE 816 CO -0.14 -0.76 1.00 -2.84 0.24 0.00 0.00 174.94 172.44 3b5r s PRO 817 N -3.73 4.77 0.28 0.37 0.02 -1.26 -0.70 135.00 134.75 3b5r s PRO 817 Ca 0.15 1.62 -0.03 0.00 0.02 0.00 0.00 61.00 62.76 3b5r s PRO 817 Cb 0.03 -3.24 0.39 0.00 0.02 0.00 0.00 34.50 31.70 3b5r s PRO 817 CO -0.00 0.39 1.95 0.28 -0.33 0.00 0.00 177.00 179.29 3b5r h VAL 818 N 3.14 1.22 0.00 3.83 2.07 -1.17 -0.31 116.25 125.04 3b5r h VAL 818 Ca -0.46 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3b5r h VAL 818 Cb 1.20 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3b5r h VAL 818 CO 0.68 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.96 3b5r n ASP 819 N -4.39 0.00 0.00 0.57 10.43 -1.26 -4.97 116.55 116.93 3b5r n ASP 819 Ca 0.09 -0.19 0.00 0.00 2.57 0.00 0.00 54.79 57.27 3b5r n ASP 819 Cb 0.04 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 42.84 3b5r n ASP 819 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3b5r n GLY 820 N -0.01 -2.25 3.94 0.44 0.00 -0.13 -5.02 105.19 102.18 3b5r n GLY 820 Ca 0.09 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 3b5r n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b5r s LEU 821 N -3.32 2.82 0.17 0.99 1.43 -1.26 -4.84 118.68 114.66 3b5r s LEU 821 Ca 0.00 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.20 3b5r s LEU 821 Cb 0.00 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.63 3b5r s LEU 821 CO 0.00 -1.96 1.82 0.11 0.23 0.00 0.00 176.35 176.55 3b5r h LYS 822 N -0.87 0.71 -2.60 1.70 1.79 -1.96 -3.29 116.57 112.04 3b5r h LYS 822 Ca -0.43 -0.05 -0.60 0.00 -2.18 0.00 0.00 60.65 57.39 3b5r h LYS 822 Cb 1.28 -0.15 -0.41 0.00 -1.58 0.00 0.00 32.23 31.37 3b5r h LYS 822 CO 0.50 0.49 -0.70 0.09 -1.08 0.00 0.00 179.45 178.75 3b5r n ASN 823 N -4.69 2.37 -0.34 0.86 4.13 -1.26 -4.96 115.26 111.37 3b5r n ASN 823 Ca 0.03 -3.09 -0.02 0.00 1.68 0.00 0.00 54.58 53.18 3b5r n ASN 823 Cb 0.04 -0.69 0.10 0.00 -1.54 0.00 0.00 39.78 37.69 3b5r n ASN 823 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 3b5r h GLN 824 N 4.94 1.17 -0.72 3.52 5.75 -1.96 -2.86 115.11 124.96 3b5r h GLN 824 Ca 0.18 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.63 3b5r h GLN 824 Cb 0.76 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 3b5r h GLN 824 CO 0.67 0.78 0.46 0.87 -2.65 0.00 0.00 178.83 178.95 3b5r h LYS 825 N 1.21 0.87 -0.69 1.69 1.57 -1.93 -0.73 116.57 118.56 3b5r h LYS 825 Ca 0.35 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3b5r h LYS 825 Cb -0.09 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 3b5r h LYS 825 CO -0.09 0.57 0.34 0.74 -0.57 0.00 0.00 179.45 180.44 3b5r h PHE 826 N 0.89 0.98 -0.15 -1.35 0.04 -1.91 -2.01 116.94 113.43 3b5r h PHE 826 Ca 0.29 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 61.02 3b5r h PHE 826 Cb 0.01 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 3b5r h PHE 826 CO -0.04 0.72 0.07 0.35 -0.60 0.00 0.00 178.31 178.82 3b5r h PHE 827 N 0.95 0.13 -0.89 -0.55 3.57 -1.15 -1.64 116.94 117.37 3b5r h PHE 827 Ca 0.24 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3b5r h PHE 827 Cb 0.10 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3b5r h PHE 827 CO 0.00 0.08 0.58 -0.44 -2.23 0.00 0.00 178.31 176.30 3b5r h ASP 828 N 0.16 1.03 -0.01 0.41 3.32 -0.92 -0.13 116.42 120.28 3b5r h ASP 828 Ca 0.06 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3b5r h ASP 828 Cb 0.01 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3b5r h ASP 828 CO -0.04 0.76 0.01 -0.33 -1.72 0.00 0.00 179.24 177.91 3b5r h GLU 829 N 1.21 0.02 -0.30 3.56 4.39 -1.14 -0.73 114.58 121.58 3b5r h GLU 829 Ca 0.32 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.04 3b5r h GLU 829 Cb -0.12 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3b5r h GLU 829 CO -0.07 0.10 0.15 1.25 -1.16 0.00 0.00 179.01 179.29 3b5r h LEU 830 N -0.07 0.23 -0.85 1.33 5.85 -1.00 0.05 115.31 120.84 3b5r h LEU 830 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 3b5r h LEU 830 Cb 0.09 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3b5r h LEU 830 CO -0.00 0.17 0.53 -0.09 -0.34 0.00 0.00 178.44 178.71 3b5r h ARG 831 N 0.32 1.15 -0.74 1.25 2.43 -0.91 -1.19 114.38 116.70 3b5r h ARG 831 Ca 0.12 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3b5r h ARG 831 Cb 0.04 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3b5r h ARG 831 CO -0.08 0.79 0.24 1.98 -1.51 0.00 0.00 179.97 181.39 3b5r h MET 832 N 1.17 1.14 -0.33 0.20 4.05 -0.59 -1.69 114.93 118.88 3b5r h MET 832 Ca 0.31 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 3b5r h MET 832 Cb -0.07 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.54 3b5r h MET 832 CO -0.06 0.96 -0.17 -0.91 0.23 0.00 0.00 176.91 176.96 3b5r h ASN 833 N 1.09 0.58 0.03 1.39 -0.26 -0.42 -1.12 115.58 116.87 3b5r h ASN 833 Ca 0.24 -0.18 -0.13 0.00 -0.56 0.00 0.00 56.30 55.67 3b5r h ASN 833 Cb 0.29 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 3b5r h ASN 833 CO -0.01 0.77 -0.43 1.88 -1.06 0.00 0.00 177.43 178.58 3b5r h TYR 834 N 0.53 0.58 -0.63 1.19 0.05 -0.86 -1.43 116.97 116.41 3b5r h TYR 834 Ca 0.09 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.61 3b5r h TYR 834 Cb 0.59 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 3b5r h TYR 834 CO 0.02 0.84 0.06 0.82 -1.05 0.00 0.00 178.16 178.85 3b5r h ILE 835 N 0.40 1.26 -0.67 -2.88 2.04 -1.01 -1.79 117.51 114.85 3b5r h ILE 835 Ca 0.03 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3b5r h ILE 835 Cb 0.91 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3b5r h ILE 835 CO 0.08 0.40 0.34 0.11 0.00 0.00 0.00 178.15 179.08 3b5r h LYS 836 N 0.99 0.94 -0.28 2.37 1.79 -0.80 -1.21 116.57 120.38 3b5r h LYS 836 Ca 0.19 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.43 3b5r h LYS 836 Cb 0.49 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3b5r h LYS 836 CO 0.02 0.72 -0.31 0.93 -1.08 0.00 0.00 179.45 179.73 3b5r h GLU 837 N 0.94 0.58 -0.65 3.15 4.39 -0.82 -2.11 114.58 120.07 3b5r h GLU 837 Ca 0.24 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3b5r h GLU 837 Cb 0.07 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3b5r h GLU 837 CO -0.03 0.82 0.14 1.25 -1.16 0.00 0.00 179.01 180.03 3b5r h LEU 838 N 0.49 0.98 -0.47 1.33 5.85 -0.49 -1.16 115.31 121.84 3b5r h LEU 838 Ca 0.06 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3b5r h LEU 838 Cb 0.78 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3b5r h LEU 838 CO 0.06 0.95 0.24 0.44 -0.34 0.00 0.00 178.44 179.80 3b5r h ASP 839 N 0.98 0.36 -0.35 1.25 3.45 -0.87 -1.01 116.42 120.23 3b5r h ASP 839 Ca 0.20 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.66 3b5r h ASP 839 Cb 0.37 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.08 3b5r h ASP 839 CO 0.00 0.26 0.12 0.03 -1.57 0.00 0.00 179.24 178.08 3b5r h ARG 840 N 0.49 0.55 -0.38 3.56 3.08 -0.91 0.16 114.38 120.92 3b5r h ARG 840 Ca 0.20 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3b5r h ARG 840 Cb 0.09 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3b5r h ARG 840 CO -0.13 0.56 0.16 0.82 -1.07 0.00 0.00 179.97 180.31 3b5r h ILE 841 N 0.42 1.14 -0.08 2.04 2.04 -0.97 0.65 117.51 122.76 3b5r h ILE 841 Ca 0.11 -0.43 -0.24 0.00 1.00 0.00 0.00 64.86 65.30 3b5r h ILE 841 Cb 0.24 0.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3b5r h ILE 841 CO -0.00 0.17 -0.89 0.40 0.00 0.00 0.00 178.15 177.82 3b5r h ILE 842 N 0.54 1.29 0.00 -0.67 2.04 -0.76 -3.25 117.51 116.69 3b5r h ILE 842 Ca 0.13 -2.13 -0.11 0.00 1.00 0.00 0.00 64.86 63.76 3b5r h ILE 842 Cb 0.10 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3b5r h ILE 842 CO -0.02 0.66 -0.52 0.00 0.00 0.00 0.00 178.15 178.27 3b5r h ALA 843 N 0.54 0.86 -1.42 1.87 0.00 -0.24 -3.40 119.26 117.47 3b5r h ALA 843 Ca -0.08 -0.48 -0.48 0.00 0.00 0.00 0.00 54.91 53.87 3b5r h ALA 843 Cb 1.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3b5r h ALA 843 CO 0.18 0.65 1.64 0.00 0.00 0.00 0.00 179.25 181.72 3b5r n LYS 845 N 8.91 0.00 -3.30 0.00 4.81 -1.26 -5.00 118.16 122.32 3b5r n LYS 845 Ca 0.40 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.63 3b5r n LYS 845 Cb 0.47 -2.14 -0.08 0.00 0.02 0.00 0.00 35.03 33.30 3b5r n LYS 845 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3b5r s ARG 846 N -2.99 0.81 0.00 1.64 0.52 0.27 -4.96 118.95 114.24 3b5r s ARG 846 Ca 0.00 -1.54 0.25 0.00 -0.52 0.00 0.00 55.73 53.92 3b5r s ARG 846 Cb 0.00 -1.02 1.18 0.00 0.52 0.00 0.00 34.95 35.62 3b5r s ARG 846 CO 0.00 -1.31 1.81 0.36 0.02 0.00 0.00 175.30 176.19 3b5r n LYS 847 N 3.37 0.22 -3.06 3.54 -0.00 -1.26 -4.60 118.16 116.36 3b5r n LYS 847 Ca 0.21 0.06 -0.44 0.00 -0.00 0.00 0.00 58.31 58.15 3b5r n LYS 847 Cb 0.47 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.94 3b5r n LYS 847 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3b5r s ASN 848 N -2.73 6.24 0.30 -5.58 6.03 -1.26 -4.94 114.94 113.00 3b5r s ASN 848 Ca 0.19 -0.85 0.07 0.00 -1.03 0.00 0.00 52.86 51.24 3b5r s ASN 848 Cb 0.16 -2.33 0.81 0.00 -3.03 0.00 0.00 41.25 36.87 3b5r s ASN 848 CO 0.40 -1.02 1.71 -0.65 -2.03 0.00 0.00 177.10 175.51 3b5r h PRO 849 N 9.12 0.45 -0.22 3.55 0.11 -2.00 0.51 132.00 143.51 3b5r h PRO 849 Ca -0.27 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3b5r h PRO 849 Cb 1.09 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3b5r h PRO 849 CO 1.02 0.29 0.02 1.15 -0.21 0.00 0.00 178.00 180.27 3b5r h THR 850 N 0.46 1.13 -0.26 -1.15 2.02 -1.96 -0.46 112.91 112.69 3b5r h THR 850 Ca 0.60 -0.50 -0.18 0.00 0.77 0.00 0.00 66.41 67.10 3b5r h THR 850 Cb 1.17 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3b5r h THR 850 CO -0.52 0.17 -0.56 -1.28 0.37 0.00 0.00 175.52 173.70 3b5r h SER 851 N 0.32 0.94 -0.39 4.18 0.87 -0.40 -2.45 113.55 116.61 3b5r h SER 851 Ca 0.07 -0.55 -0.07 0.00 -1.23 0.00 0.00 61.79 60.02 3b5r h SER 851 Cb 0.19 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3b5r h SER 851 CO 0.00 1.32 -0.01 0.00 -0.53 0.00 0.00 176.83 177.60 3b5r h SER 853 N 0.53 0.49 -0.24 0.00 0.02 -1.11 -0.67 113.55 112.56 3b5r h SER 853 Ca 0.11 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3b5r h SER 853 Cb 0.50 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3b5r h SER 853 CO 0.02 0.38 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.98 3b5r h ARG 854 N 0.55 0.56 -0.28 3.45 2.43 -1.43 -1.30 114.38 118.37 3b5r h ARG 854 Ca 0.15 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3b5r h ARG 854 Cb -0.03 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3b5r h ARG 854 CO -0.03 0.60 -0.25 -0.09 -1.51 0.00 0.00 179.97 178.69 3b5r h ARG 855 N 0.53 0.66 -0.67 0.20 9.65 -1.10 -1.54 114.38 122.12 3b5r h ARG 855 Ca 0.11 -0.34 -0.02 0.00 -1.10 0.00 0.00 59.98 58.62 3b5r h ARG 855 Cb 0.38 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3b5r h ARG 855 CO 0.01 0.95 0.32 0.35 2.80 0.00 0.00 179.97 184.40 3b5r h PHE 856 N 0.40 0.94 0.06 2.20 3.57 -0.92 -0.61 116.94 122.58 3b5r h PHE 856 Ca 0.05 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3b5r h PHE 856 Cb 0.82 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3b5r h PHE 856 CO 0.07 0.69 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.89 3b5r h TYR 857 N 0.94 -0.08 -0.44 0.41 3.20 -1.03 -1.66 116.97 118.32 3b5r h TYR 857 Ca 0.23 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3b5r h TYR 857 Cb 0.10 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3b5r h TYR 857 CO 0.01 0.05 0.21 1.96 -1.64 0.00 0.00 178.16 178.74 3b5r h GLN 858 N -0.18 0.41 -0.43 1.82 4.20 -0.69 -1.62 115.11 118.62 3b5r h GLN 858 Ca -0.01 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 3b5r h GLN 858 Cb 0.16 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3b5r h GLN 858 CO 0.01 0.27 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.19 3b5r h LEU 859 N 0.42 0.90 -1.03 1.46 3.38 -1.05 -1.00 115.31 118.39 3b5r h LEU 859 Ca 0.19 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3b5r h LEU 859 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3b5r h LEU 859 CO -0.15 1.10 -0.45 0.71 0.09 0.00 0.00 178.44 179.74 3b5r h THR 860 N 0.70 1.21 -0.31 0.22 1.35 -1.24 -0.56 112.91 114.28 3b5r h THR 860 Ca 0.10 -1.61 -0.14 0.00 -0.55 0.00 0.00 66.41 64.20 3b5r h THR 860 Cb 0.75 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3b5r h THR 860 CO 0.06 0.44 -0.36 0.50 -0.25 0.00 0.00 175.52 175.91 3b5r h LYS 861 N 0.00 0.80 -0.49 4.72 1.63 -1.07 -1.85 116.57 120.32 3b5r h LYS 861 Ca -0.00 -0.44 -0.06 0.00 -0.85 0.00 0.00 60.65 59.29 3b5r h LYS 861 Cb 0.86 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 3b5r h LYS 861 CO 0.06 1.07 0.07 1.25 -3.45 0.00 0.00 179.45 178.46 3b5r h LEU 862 N 0.57 0.78 -1.15 5.20 5.85 -0.79 -2.59 115.31 123.18 3b5r h LEU 862 Ca 0.04 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3b5r h LEU 862 Cb 0.95 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3b5r h LEU 862 CO 0.09 0.84 0.11 -0.07 -0.34 0.00 0.00 178.44 179.07 3b5r h LEU 863 N 0.68 0.65 -0.81 2.25 3.38 -1.03 -2.56 115.31 117.87 3b5r h LEU 863 Ca 0.15 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3b5r h LEU 863 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3b5r h LEU 863 CO 0.01 0.65 -0.21 0.44 0.09 0.00 0.00 178.44 179.43 3b5r h ASP 864 N 0.68 0.67 0.15 -0.43 3.32 -1.17 -2.86 116.42 116.78 3b5r h ASP 864 Ca 0.15 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3b5r h ASP 864 Cb 0.26 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3b5r h ASP 864 CO -0.00 0.88 -0.01 0.77 -1.72 0.00 0.00 179.24 179.15 3b5r h SER 865 N 0.59 0.00 -0.35 6.45 4.64 -1.06 -2.48 113.55 121.34 3b5r h SER 865 Ca 0.09 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 3b5r h SER 865 Cb 0.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3b5r h SER 865 CO 0.05 0.01 -0.27 0.58 -0.87 0.00 0.00 176.83 176.34 3b5r h VAL 866 N 0.00 1.27 0.06 0.95 2.07 -1.50 -3.32 116.25 115.78 3b5r h VAL 866 Ca -0.00 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3b5r h VAL 866 Cb 0.10 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3b5r h VAL 866 CO 0.00 0.48 -0.17 1.56 0.02 0.00 0.00 177.57 179.46 3b5r h GLN 867 N 0.74 -0.29 -0.10 1.57 1.08 -1.58 -1.46 115.11 115.06 3b5r h GLN 867 Ca 0.09 0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 3b5r h GLN 867 Cb 0.82 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3b5r h GLN 867 CO 0.07 -0.20 0.07 -1.35 -0.95 0.00 0.00 178.83 176.48 3b5r h PRO 868 N -0.30 0.00 -0.14 1.46 0.11 -1.71 0.15 132.00 131.57 3b5r h PRO 868 Ca 0.04 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 3b5r h PRO 868 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3b5r h PRO 868 CO -0.12 0.00 -0.33 0.82 -0.21 0.00 0.00 178.00 178.16 3b5r h ILE 869 N 0.00 1.37 -0.09 4.15 2.04 -1.54 -2.57 117.51 120.87 3b5r h ILE 869 Ca 0.05 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.24 3b5r h ILE 869 Cb 0.19 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3b5r h ILE 869 CO -0.00 0.48 -0.19 0.00 0.00 0.00 0.00 178.15 178.44 3b5r h ALA 870 N 0.53 1.50 -0.38 1.87 0.00 -0.38 -2.30 119.26 120.11 3b5r h ALA 870 Ca -0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3b5r h ALA 870 Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3b5r h ALA 870 CO 0.07 0.36 -0.01 -0.09 0.00 0.00 0.00 179.25 179.58 3b5r h ARG 871 N 0.14 0.67 -0.14 0.00 9.65 -0.92 0.69 114.38 124.48 3b5r h ARG 871 Ca 0.03 -0.22 -0.07 0.00 -1.10 0.00 0.00 59.98 58.62 3b5r h ARG 871 Cb 0.43 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3b5r h ARG 871 CO 0.03 0.78 -0.22 0.93 2.80 0.00 0.00 179.97 184.29 3b5r h GLU 872 N 0.49 0.24 -0.03 0.20 5.08 -1.07 -0.60 114.58 118.89 3b5r h GLU 872 Ca 0.11 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.15 3b5r h GLU 872 Cb 0.49 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.72 3b5r h GLU 872 CO 0.02 0.46 -0.95 -0.07 -1.00 0.00 0.00 179.01 177.47 3b5r h LEU 873 N 0.22 0.75 0.27 1.33 3.38 -1.19 -1.85 115.31 118.24 3b5r h LEU 873 Ca 0.04 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3b5r h LEU 873 Cb 0.52 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3b5r h LEU 873 CO 0.04 1.37 -0.13 0.45 0.09 0.00 0.00 178.44 180.26 3b5r h HIS 874 N 0.35 -0.34 -0.34 1.13 3.86 -0.52 0.33 115.15 119.63 3b5r h HIS 874 Ca -0.09 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3b5r h HIS 874 Cb 1.58 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 30.12 3b5r h HIS 874 CO 0.08 -0.20 0.09 0.37 0.86 0.00 0.00 177.93 179.13 3b5r h GLN 875 N -0.38 0.21 -0.08 2.45 5.75 -1.15 0.36 115.11 122.26 3b5r h GLN 875 Ca -0.04 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3b5r h GLN 875 Cb 0.29 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 3b5r h GLN 875 CO 0.06 0.14 -0.01 0.35 -2.65 0.00 0.00 178.83 176.72 3b5r h PHE 876 N 0.21 -0.02 -0.66 3.99 3.04 -1.17 -1.40 116.94 120.93 3b5r h PHE 876 Ca 0.16 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 3b5r h PHE 876 Cb 0.16 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 3b5r h PHE 876 CO -0.17 -0.02 0.20 1.15 -2.02 0.00 0.00 178.31 177.45 3b5r h THR 877 N 0.01 1.24 0.14 4.41 2.02 -0.60 -1.06 112.91 119.08 3b5r h THR 877 Ca 0.04 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 3b5r h THR 877 Cb 0.05 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3b5r h THR 877 CO -0.08 0.33 -0.07 0.15 0.37 0.00 0.00 175.52 176.22 3b5r h PHE 878 N 0.97 -0.18 -0.76 3.16 3.57 -0.63 0.80 116.94 123.88 3b5r h PHE 878 Ca 0.21 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.76 3b5r h PHE 878 Cb 0.28 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3b5r h PHE 878 CO 0.02 -0.07 0.46 -0.44 -2.23 0.00 0.00 178.31 176.06 3b5r h ASP 879 N -0.24 0.73 -0.39 0.41 3.32 -1.02 -2.12 116.42 117.10 3b5r h ASP 879 Ca -0.02 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3b5r h ASP 879 Cb 0.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3b5r h ASP 879 CO 0.03 0.48 0.24 0.25 -1.72 0.00 0.00 179.24 178.52 3b5r h LEU 880 N 0.86 0.40 -0.32 1.55 5.85 -0.84 -2.64 115.31 120.18 3b5r h LEU 880 Ca 0.32 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.08 3b5r h LEU 880 Cb 0.12 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3b5r h LEU 880 CO -0.15 0.29 0.09 0.25 -0.34 0.00 0.00 178.44 178.57 3b5r h LEU 881 N 0.49 0.06 -1.83 2.25 5.85 -0.26 0.74 115.31 122.62 3b5r h LEU 881 Ca 0.15 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.05 3b5r h LEU 881 Cb -0.02 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3b5r h LEU 881 CO -0.06 0.07 0.39 0.40 -0.34 0.00 0.00 178.44 178.91 3b5r h ILE 882 N 0.21 0.80 -0.08 4.05 1.08 -1.07 -1.73 117.51 120.77 3b5r h ILE 882 Ca 0.15 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 3b5r h ILE 882 Cb 0.14 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3b5r h ILE 882 CO -0.17 0.03 0.00 2.29 -0.69 0.00 0.00 178.15 179.61 3b5r n LYS 883 N -4.43 1.99 -0.34 2.37 2.85 -0.75 -4.77 118.16 115.08 3b5r n LYS 883 Ca 0.10 -2.48 0.16 0.00 -1.05 0.00 0.00 58.31 55.04 3b5r n LYS 883 Cb 0.51 -1.51 0.36 0.00 -0.65 0.00 0.00 35.03 33.74 3b5r n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3b5r h SER 884 N 0.55 0.63 0.51 -5.58 4.64 0.14 0.54 113.55 114.98 3b5r h SER 884 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3b5r h SER 884 Cb 1.03 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3b5r h SER 884 CO 0.06 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 3b5r n HIS 885 N -4.90 0.00 0.96 4.77 1.44 -1.26 -2.13 115.22 114.11 3b5r n HIS 885 Ca 0.25 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.07 3b5r n HIS 885 Cb 0.70 -0.50 -0.05 0.00 0.12 0.00 0.00 29.99 30.27 3b5r n HIS 885 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3b5r n MET 886 N -1.50 0.02 0.00 -1.40 2.00 0.19 -4.38 117.12 112.05 3b5r n MET 886 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 3b5r n MET 886 Cb 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.89 3b5r n MET 886 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 3b5r n VAL 887 N -1.53 0.43 -3.23 2.03 0.24 -1.01 -5.03 118.33 110.23 3b5r n VAL 887 Ca 0.04 -0.55 -0.19 0.00 -2.04 0.00 0.00 64.34 61.60 3b5r n VAL 887 Cb 0.34 0.91 0.05 0.00 -1.47 0.00 0.00 33.84 33.67 3b5r n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3b5r n SER 888 N -0.21 -5.54 -4.76 -1.34 7.64 -0.90 -4.67 113.62 103.83 3b5r n SER 888 Ca 0.00 -0.37 -0.37 0.00 1.01 0.00 0.00 58.87 59.14 3b5r n SER 888 Cb 0.25 -4.22 -0.07 0.00 -1.01 0.00 0.00 64.21 59.15 3b5r n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3b5r s VAL 889 N -3.20 5.29 -0.47 0.44 1.01 -1.07 -4.86 120.40 117.55 3b5r s VAL 889 Ca 0.41 0.54 -0.19 0.00 0.00 0.00 0.00 61.98 62.73 3b5r s VAL 889 Cb -0.18 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.63 3b5r s VAL 889 CO 0.50 0.44 0.59 -1.81 0.00 0.00 0.00 175.10 174.82 3b5r s ASP 890 N 0.08 6.24 -0.26 3.32 1.11 -1.26 -4.75 116.67 121.16 3b5r s ASP 890 Ca 0.17 -0.71 -0.15 0.00 0.18 0.00 0.00 52.55 52.03 3b5r s ASP 890 Cb -0.13 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.54 3b5r s ASP 890 CO 0.05 -0.80 0.38 -0.36 1.18 0.00 0.00 175.17 175.62 3b5r s PHE 891 N 2.57 3.27 0.96 4.23 0.40 -1.26 -4.78 117.98 123.38 3b5r s PHE 891 Ca 0.16 0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.84 3b5r s PHE 891 Cb -0.17 -2.56 0.16 0.00 0.51 0.00 0.00 43.02 40.96 3b5r s PHE 891 CO 0.14 -0.18 1.06 -2.30 0.70 0.00 0.00 175.22 174.64 3b5r n PRO 892 N 5.15 -0.77 0.00 0.24 -0.02 -1.26 -4.76 135.00 133.58 3b5r n PRO 892 Ca -0.08 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 3b5r n PRO 892 Cb 0.51 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3b5r n PRO 892 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3b5r n GLU 893 N -4.16 0.00 -0.35 -0.52 2.13 -1.26 -1.85 120.64 114.62 3b5r n GLU 893 Ca 0.10 0.61 0.13 0.00 0.66 0.00 0.00 57.16 58.66 3b5r n GLU 893 Cb 0.53 -1.48 0.32 0.00 0.27 0.00 0.00 31.44 31.08 3b5r n GLU 893 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 3b5r h MET 894 N 0.00 0.75 -0.06 5.31 2.86 -2.00 -2.39 114.93 119.40 3b5r h MET 894 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3b5r h MET 894 Cb 0.00 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.49 3b5r h MET 894 CO 0.00 0.49 0.01 1.98 1.06 0.00 0.00 176.91 180.46 3b5r h MET 895 N 0.77 0.09 -0.90 1.72 1.85 -1.92 -1.24 114.93 115.31 3b5r h MET 895 Ca 0.58 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 59.74 3b5r h MET 895 Cb 0.89 -0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.84 3b5r h MET 895 CO -0.38 0.30 0.55 0.00 -0.40 0.00 0.00 176.91 176.98 3b5r h ALA 896 N 0.78 1.28 -0.09 0.39 0.00 -0.89 0.97 119.26 121.71 3b5r h ALA 896 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3b5r h ALA 896 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3b5r h ALA 896 CO 0.00 0.21 0.02 1.49 0.00 0.00 0.00 179.25 180.97 3b5r h GLU 897 N 0.93 0.14 -0.74 0.00 4.81 -1.32 -1.64 114.58 116.75 3b5r h GLU 897 Ca 0.42 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 3b5r h GLU 897 Cb 0.32 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3b5r h GLU 897 CO -0.22 0.34 0.33 0.82 -0.73 0.00 0.00 179.01 179.54 3b5r h ILE 898 N -0.08 1.25 -0.40 2.32 2.04 -0.62 -1.03 117.51 120.99 3b5r h ILE 898 Ca 0.03 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 3b5r h ILE 898 Cb 0.26 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3b5r h ILE 898 CO 0.00 0.30 -0.08 0.40 0.00 0.00 0.00 178.15 178.77 3b5r h ILE 899 N 1.06 1.25 0.00 -0.67 2.04 -0.75 0.22 117.51 120.66 3b5r h ILE 899 Ca 0.25 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3b5r h ILE 899 Cb 0.16 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3b5r h ILE 899 CO -0.03 0.37 -0.44 0.77 0.00 0.00 0.00 178.15 178.82 3b5r h SER 900 N 0.64 0.00 0.00 1.72 4.64 -1.06 -3.30 113.55 116.18 3b5r h SER 900 Ca 0.12 -0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 61.11 3b5r h SER 900 Cb 0.52 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 3b5r h SER 900 CO 0.03 0.05 -1.80 0.52 -0.87 0.00 0.00 176.83 174.76 3b5r n VAL 901 N -2.38 0.79 -0.11 0.95 0.31 -0.41 -4.72 118.33 112.77 3b5r n VAL 901 Ca 0.03 -0.24 -0.22 0.00 -0.01 0.00 0.00 64.34 63.91 3b5r n VAL 901 Cb 0.47 -1.45 -0.11 0.00 -0.91 0.00 0.00 33.84 31.84 3b5r n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3b5r n GLN 902 N -3.39 0.56 -0.33 5.55 1.13 0.75 -4.27 117.38 117.39 3b5r n GLN 902 Ca -0.27 0.56 0.10 0.00 -1.94 0.00 0.00 57.00 55.45 3b5r n GLN 902 Cb 0.72 -1.73 0.30 0.00 0.11 0.00 0.00 30.24 29.64 3b5r n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3b5r h VAL 903 N -1.00 0.84 -0.03 5.09 2.07 -1.54 -0.48 116.25 121.21 3b5r h VAL 903 Ca -0.36 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3b5r h VAL 903 Cb 1.31 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3b5r h VAL 903 CO -0.22 0.15 -0.02 -0.65 0.02 0.00 0.00 177.57 176.85 3b5r h PRO 904 N 0.85 0.04 -0.24 1.57 0.11 -1.77 -0.93 132.00 131.62 3b5r h PRO 904 Ca 0.50 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.50 3b5r h PRO 904 Cb 0.66 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 3b5r h PRO 904 CO -0.27 0.06 -0.29 0.87 -0.21 0.00 0.00 178.00 178.16 3b5r h LYS 905 N 0.04 0.48 -0.02 1.05 1.57 -1.26 -0.95 116.57 117.47 3b5r h LYS 905 Ca 0.01 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3b5r h LYS 905 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3b5r h LYS 905 CO 0.00 0.73 -0.21 0.82 -0.57 0.00 0.00 179.45 180.22 3b5r h ILE 906 N 0.42 1.51 -0.02 1.86 2.04 -1.12 0.19 117.51 122.38 3b5r h ILE 906 Ca 0.06 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.07 3b5r h ILE 906 Cb 0.72 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 3b5r h ILE 906 CO 0.06 0.49 -0.27 -0.07 0.00 0.00 0.00 178.15 178.36 3b5r h LEU 907 N -0.43 0.03 -0.17 1.44 3.38 -1.20 -2.37 115.31 115.99 3b5r h LEU 907 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3b5r h LEU 907 Cb 0.91 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3b5r h LEU 907 CO 0.04 0.30 -0.23 -1.54 0.09 0.00 0.00 178.44 177.11 3b5r n SER 908 N -4.21 0.49 0.00 -0.43 3.41 -0.37 -4.95 113.62 107.57 3b5r n SER 908 Ca -0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3b5r n SER 908 Cb 0.33 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3b5r n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b5r n GLY 909 N 1.39 0.75 0.11 5.00 0.00 -0.89 -4.95 105.19 106.60 3b5r n GLY 909 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 3b5r n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b5r h LYS 910 N 2.65 0.00 -5.05 1.61 1.57 -0.91 -3.43 116.57 113.02 3b5r h LYS 910 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3b5r h LYS 910 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 3b5r h LYS 910 CO 0.00 0.73 -0.86 0.08 -0.57 0.00 0.00 179.45 178.83 3b5r s VAL 911 N -2.98 1.92 0.11 0.50 1.01 -0.63 -0.58 120.40 119.74 3b5r s VAL 911 Ca 0.02 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3b5r s VAL 911 Cb 0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3b5r s VAL 911 CO 0.77 0.52 -0.17 -0.54 0.00 0.00 0.00 175.10 175.69 3b5r s LYS 912 N 1.00 1.02 0.55 2.72 1.02 0.12 -4.30 119.74 121.87 3b5r s LYS 912 Ca -0.04 -1.16 -0.17 0.00 0.02 0.00 0.00 55.97 54.63 3b5r s LYS 912 Cb -0.15 -1.07 -0.06 0.00 -0.52 0.00 0.00 37.83 36.03 3b5r s LYS 912 CO -0.05 0.23 1.02 -1.25 -0.92 0.00 0.00 175.35 174.38 3b5r s PRO 913 N -2.20 3.64 -0.38 -1.68 0.04 -1.26 -0.85 135.00 132.30 3b5r s PRO 913 Ca 0.06 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 3b5r s PRO 913 Cb -0.08 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3b5r s PRO 913 CO 0.04 -0.54 0.39 0.42 0.04 0.00 0.00 177.00 177.35 3b5r s ILE 914 N -2.49 5.14 0.26 0.56 1.01 0.26 -4.86 121.20 121.07 3b5r s ILE 914 Ca 0.62 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 3b5r s ILE 914 Cb -0.13 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3b5r s ILE 914 CO 0.33 -0.27 0.48 -0.31 0.00 0.00 0.00 174.94 175.16 3b5r s TYR 915 N 2.05 3.48 -0.14 3.97 1.51 -1.26 -4.86 117.35 122.10 3b5r s TYR 915 Ca 0.11 0.45 -0.02 0.00 -1.01 0.00 0.00 57.07 56.61 3b5r s TYR 915 Cb -0.17 -1.95 -0.24 0.00 -0.11 0.00 0.00 41.96 39.49 3b5r s TYR 915 CO 0.12 0.26 0.27 1.19 -1.11 0.00 0.00 175.55 176.29 3b5r n PHE 916 N -0.95 0.93 0.78 2.71 3.72 -1.26 -5.15 117.46 118.23 3b5r n PHE 916 Ca -0.04 0.21 0.09 0.00 -0.05 0.00 0.00 57.45 57.67 3b5r n PHE 916 Cb 0.54 -1.13 0.08 0.00 -0.94 0.00 0.00 39.48 38.03 3b5r n PHE 916 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43