#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii6 n ILE 655 N 0.00 0.00 0.00 -0.18 -5.35 -0.65 -4.83 119.36 108.35 3ii6 n ILE 655 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3ii6 n ILE 655 Cb 0.00 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 3ii6 n ILE 655 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3ii6 n SER 656 N -0.96 0.00 -2.68 7.28 2.88 -1.09 -4.96 113.62 114.08 3ii6 n SER 656 Ca 0.18 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.65 3ii6 n SER 656 Cb 0.08 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.58 3ii6 n SER 656 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ii6 n ASN 657 N 0.00 2.02 -0.45 -3.46 0.23 -1.22 -2.95 115.26 109.43 3ii6 n ASN 657 Ca 0.00 -2.50 0.41 0.00 -0.53 0.00 0.00 54.58 51.96 3ii6 n ASN 657 Cb 0.00 -0.48 0.74 0.00 -2.08 0.00 0.00 39.78 37.96 3ii6 n ASN 657 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3ii6 h ILE 658 N 4.28 0.17 -0.25 1.53 2.04 -1.90 -2.68 117.51 120.69 3ii6 h ILE 658 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3ii6 h ILE 658 Cb 1.25 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3ii6 h ILE 658 CO 0.38 0.00 0.00 0.49 0.00 0.00 0.00 178.15 179.02 3ii6 n PHE 659 N -3.91 0.31 -1.76 1.37 0.99 0.40 -4.94 117.46 109.92 3ii6 n PHE 659 Ca 0.32 -0.16 -0.42 0.00 -0.00 0.00 0.00 57.45 57.20 3ii6 n PHE 659 Cb 1.59 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 40.05 3ii6 n PHE 659 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3ii6 s GLU 660 N -1.69 4.12 -0.84 -1.08 2.12 -1.01 -0.37 118.70 119.95 3ii6 s GLU 660 Ca 0.35 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.27 3ii6 s GLU 660 Cb 0.20 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.55 3ii6 s GLU 660 CO 0.30 -0.68 0.00 -0.25 -0.54 0.00 0.00 175.26 174.09 3ii6 n ASP 661 N 2.90 -3.48 -4.04 -1.70 10.43 -1.13 -4.96 116.55 114.57 3ii6 n ASP 661 Ca 0.11 0.07 -0.26 0.00 2.57 0.00 0.00 54.79 57.28 3ii6 n ASP 661 Cb 0.37 -2.42 -0.17 0.00 1.84 0.00 0.00 41.12 40.74 3ii6 n ASP 661 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3ii6 s VAL 662 N -2.41 1.29 -0.18 2.53 1.01 0.50 -5.00 120.40 118.14 3ii6 s VAL 662 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3ii6 s VAL 662 Cb 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3ii6 s VAL 662 CO 0.00 0.39 0.05 -0.70 0.00 0.00 0.00 175.10 174.85 3ii6 s GLU 663 N 0.73 3.94 -0.10 2.72 2.12 -1.26 -0.04 118.70 126.82 3ii6 s GLU 663 Ca -0.13 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 54.88 3ii6 s GLU 663 Cb -0.16 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3ii6 s GLU 663 CO 0.03 0.28 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.74 3ii6 s PHE 664 N 0.34 2.45 -0.33 5.30 0.40 0.27 0.16 117.98 126.57 3ii6 s PHE 664 Ca 0.03 -1.00 -0.21 0.00 -0.60 0.00 0.00 56.93 55.15 3ii6 s PHE 664 Cb -0.12 -1.65 -0.00 0.00 0.51 0.00 0.00 43.02 41.76 3ii6 s PHE 664 CO 0.00 -0.40 0.64 0.00 0.70 0.00 0.00 175.22 176.16 3ii6 s VAL 666 N 2.68 5.19 -0.09 0.00 1.01 -1.26 0.20 120.40 128.13 3ii6 s VAL 666 Ca 0.25 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.54 3ii6 s VAL 666 Cb -0.15 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 3ii6 s VAL 666 CO 0.13 -0.47 0.48 0.23 0.00 0.00 0.00 175.10 175.48 3ii6 n MET 667 N 5.34 0.69 -4.16 2.72 2.81 -0.39 -4.92 117.12 119.21 3ii6 n MET 667 Ca -0.10 0.27 -0.13 0.00 -1.81 0.00 0.00 57.70 55.93 3ii6 n MET 667 Cb 0.46 -1.74 -0.08 0.00 -0.71 0.00 0.00 33.22 31.15 3ii6 n MET 667 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3ii6 s SER 668 N -6.51 0.37 0.00 7.83 1.04 -0.42 -4.74 113.70 111.28 3ii6 s SER 668 Ca -0.14 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 54.94 3ii6 s SER 668 Cb 0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3ii6 s SER 668 CO 0.79 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3ii6 n GLY 669 N -0.37 0.25 3.54 7.32 0.00 -1.26 0.09 105.19 114.76 3ii6 n GLY 669 Ca 0.02 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 3ii6 n GLY 669 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ii6 n THR 670 N 0.00 0.00 -3.22 2.61 -1.04 -1.26 -4.59 114.28 106.78 3ii6 n THR 670 Ca 0.00 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.34 3ii6 n THR 670 Cb 0.00 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 66.86 3ii6 n THR 670 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ii6 n GLN 673 N 8.07 -0.87 -3.67 -2.82 0.00 -1.26 -4.55 117.38 112.27 3ii6 n GLN 673 Ca 0.49 0.07 -0.37 0.00 0.00 0.00 0.00 57.00 57.19 3ii6 n GLN 673 Cb 0.38 -2.39 -0.06 0.00 0.00 0.00 0.00 30.24 28.17 3ii6 n GLN 673 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 3ii6 s PRO 674 N -4.60 3.86 0.34 2.61 0.02 -1.26 -4.86 135.00 131.10 3ii6 s PRO 674 Ca 0.34 0.07 0.13 0.00 0.02 0.00 0.00 61.00 61.56 3ii6 s PRO 674 Cb -0.20 -3.28 1.07 0.00 0.02 0.00 0.00 34.50 32.11 3ii6 s PRO 674 CO 0.55 0.56 1.64 -0.22 -0.33 0.00 0.00 177.00 179.21 3ii6 h LYS 675 N 5.53 0.24 0.00 5.54 3.64 -1.85 0.86 116.57 130.52 3ii6 h LYS 675 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3ii6 h LYS 675 Cb 1.20 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3ii6 h LYS 675 CO 0.65 0.16 -0.75 -1.00 -2.27 0.00 0.00 179.45 176.24 3ii6 h PRO 676 N 0.25 0.00 -0.33 1.90 0.13 -1.98 -2.71 132.00 129.26 3ii6 h PRO 676 Ca 0.72 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.89 3ii6 h PRO 676 Cb 1.68 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.77 3ii6 h PRO 676 CO -0.65 0.00 0.12 -0.44 -0.23 0.00 0.00 178.00 176.80 3ii6 h ASP 677 N 0.00 0.14 -0.19 1.44 5.19 0.38 -1.39 116.42 122.00 3ii6 h ASP 677 Ca 0.00 0.03 -0.20 0.00 -0.62 0.00 0.00 57.03 56.24 3ii6 h ASP 677 Cb 0.90 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.43 3ii6 h ASP 677 CO 0.00 0.12 -0.66 -0.07 -3.12 0.00 0.00 179.24 175.51 3ii6 h LEU 678 N 0.27 0.93 -1.54 1.55 3.38 -1.54 0.80 115.31 119.15 3ii6 h LEU 678 Ca 0.14 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3ii6 h LEU 678 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3ii6 h LEU 678 CO -0.14 1.35 -0.24 -0.33 0.09 0.00 0.00 178.44 179.17 3ii6 h GLU 679 N 0.59 0.00 0.00 1.13 5.08 -1.31 0.24 114.58 120.31 3ii6 h GLU 679 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ii6 h GLU 679 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3ii6 h GLU 679 CO 0.14 0.24 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.48 3ii6 h ASN 680 N 0.00 -0.00 -0.15 1.42 2.35 -0.21 -2.74 115.58 116.25 3ii6 h ASN 680 Ca -0.00 -0.52 0.04 0.00 -0.55 0.00 0.00 56.30 55.26 3ii6 h ASN 680 Cb 0.46 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 3ii6 h ASN 680 CO 0.03 0.52 -0.10 0.03 -1.65 0.00 0.00 177.43 176.26 3ii6 h ARG 681 N -0.52 -0.10 -1.05 0.81 3.08 -0.69 0.16 114.38 116.06 3ii6 h ARG 681 Ca -0.00 0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.40 3ii6 h ARG 681 Cb 0.52 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.45 3ii6 h ARG 681 CO 0.00 -0.07 0.61 0.82 -1.07 0.00 0.00 179.97 180.27 3ii6 h ILE 682 N -0.11 0.27 0.16 2.04 2.04 -0.57 -2.44 117.51 118.90 3ii6 h ILE 682 Ca 0.09 -0.10 -0.31 0.00 1.00 0.00 0.00 64.86 65.55 3ii6 h ILE 682 Cb 0.24 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3ii6 h ILE 682 CO -0.22 0.05 -1.46 0.00 0.00 0.00 0.00 178.15 176.53 3ii6 h ALA 683 N 1.81 0.10 0.00 1.87 0.00 -0.51 -2.12 119.26 120.41 3ii6 h ALA 683 Ca 0.74 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ii6 h ALA 683 Cb 1.82 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3ii6 h ALA 683 CO -0.57 0.97 0.00 -0.85 0.00 0.00 0.00 179.25 178.81 3ii6 n GLU 684 N -3.55 0.61 -0.59 0.00 0.28 0.28 -2.72 120.64 114.95 3ii6 n GLU 684 Ca -0.15 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 56.94 3ii6 n GLU 684 Cb 1.06 -1.31 0.33 0.00 1.43 0.00 0.00 31.44 32.95 3ii6 n GLU 684 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3ii6 n PHE 685 N -0.81 1.38 -0.35 -1.84 3.01 -0.82 -1.64 117.46 116.40 3ii6 n PHE 685 Ca 0.09 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 57.89 3ii6 n PHE 685 Cb 0.04 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 3ii6 n PHE 685 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ii6 n GLY 686 N 0.73 0.81 3.66 1.37 0.00 -1.10 -0.46 105.19 110.20 3ii6 n GLY 686 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 3ii6 n GLY 686 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ii6 s GLY 687 N -1.92 1.79 -0.02 -0.02 0.00 -1.05 -2.57 107.32 103.54 3ii6 s GLY 687 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 44.72 43.35 3ii6 s GLY 687 CO 0.00 -1.27 0.31 -0.19 0.00 0.00 0.00 173.10 171.95 3ii6 s TYR 688 N -1.54 3.64 0.29 1.90 1.51 0.94 -4.38 117.35 119.71 3ii6 s TYR 688 Ca 0.26 0.76 0.07 0.00 -1.01 0.00 0.00 57.07 57.15 3ii6 s TYR 688 Cb -0.10 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 3ii6 s TYR 688 CO 0.18 0.64 0.28 0.42 -1.11 0.00 0.00 175.55 175.97 3ii6 s ILE 689 N -1.16 4.22 -0.28 2.71 1.01 -1.26 0.94 121.20 127.38 3ii6 s ILE 689 Ca 0.24 -1.29 -0.19 0.00 0.00 0.00 0.00 60.65 59.41 3ii6 s ILE 689 Cb -0.14 -3.40 0.10 0.00 0.01 0.00 0.00 42.46 39.03 3ii6 s ILE 689 CO 0.12 -0.27 0.84 0.54 0.00 0.00 0.00 174.94 176.17 3ii6 s VAL 690 N -2.17 0.00 0.09 2.92 0.11 -1.12 -4.80 120.40 115.42 3ii6 s VAL 690 Ca 0.37 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.44 3ii6 s VAL 690 Cb -0.08 -1.00 -0.25 0.00 -1.53 0.00 0.00 36.38 33.53 3ii6 s VAL 690 CO 0.27 0.00 1.17 1.56 -3.33 0.00 0.00 175.10 174.76 3ii6 h GLN 691 N 5.90 0.13 -5.21 1.54 1.08 -1.97 -3.40 115.11 113.18 3ii6 h GLN 691 Ca -0.29 -0.22 -0.41 0.00 -1.45 0.00 0.00 58.65 56.27 3ii6 h GLN 691 Cb 1.20 0.08 -0.24 0.00 -0.05 0.00 0.00 27.48 28.48 3ii6 h GLN 691 CO 0.14 1.08 -0.78 -0.80 -0.95 0.00 0.00 178.83 177.52 3ii6 s ASN 692 N -6.89 1.54 0.91 1.46 0.01 -1.26 -4.88 114.94 105.83 3ii6 s ASN 692 Ca -0.02 -0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 51.52 3ii6 s ASN 692 Cb 0.08 -0.07 0.11 0.00 0.41 0.00 0.00 41.25 41.78 3ii6 s ASN 692 CO 0.85 -0.02 0.94 -2.65 -1.51 0.00 0.00 177.10 174.71 3ii6 n PRO 693 N 1.72 -0.33 -3.82 -0.60 -0.01 -1.26 -5.00 135.00 125.70 3ii6 n PRO 693 Ca -0.19 -0.03 -0.04 0.00 -0.01 0.00 0.00 63.50 63.22 3ii6 n PRO 693 Cb 0.55 -2.23 0.00 0.00 -0.01 0.00 0.00 33.50 31.81 3ii6 n PRO 693 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 3ii6 s GLY 694 N -2.38 0.01 0.05 -1.23 0.00 -1.26 -5.00 107.32 97.50 3ii6 s GLY 694 Ca 0.65 -0.22 0.03 0.00 0.00 0.00 0.00 44.72 45.17 3ii6 s GLY 694 CO 0.60 0.92 1.02 -1.55 0.00 0.00 0.00 173.10 174.09 3ii6 n PRO 695 N -0.57 0.02 -0.07 2.90 -0.04 -1.26 -1.45 135.00 134.53 3ii6 n PRO 695 Ca -0.05 0.46 0.01 0.00 -0.04 0.00 0.00 63.50 63.88 3ii6 n PRO 695 Cb 0.60 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 3ii6 n PRO 695 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ii6 n ASP 696 N -1.54 0.97 -4.78 3.54 8.00 -1.26 -5.01 116.55 116.47 3ii6 n ASP 696 Ca -0.00 -1.70 -0.38 0.00 0.71 0.00 0.00 54.79 53.42 3ii6 n ASP 696 Cb 0.08 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 3ii6 n ASP 696 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ii6 s THR 697 N -0.66 4.26 -0.04 -3.53 -4.23 -0.53 -4.41 115.64 106.50 3ii6 s THR 697 Ca 0.03 1.78 -0.17 0.00 -1.18 0.00 0.00 61.69 62.16 3ii6 s THR 697 Cb 0.03 -4.07 -0.32 0.00 1.34 0.00 0.00 72.50 69.48 3ii6 s THR 697 CO 0.00 0.28 0.81 0.22 -0.54 0.00 0.00 174.62 175.39 3ii6 h TYR 698 N 3.57 0.70 -2.29 3.99 3.20 -0.63 -3.46 116.97 122.04 3ii6 h TYR 698 Ca -0.47 -0.51 0.13 0.00 3.14 0.00 0.00 58.73 61.03 3ii6 h TYR 698 Cb 1.20 -0.03 -0.13 0.00 1.54 0.00 0.00 36.73 39.31 3ii6 h TYR 698 CO 0.62 1.52 0.49 0.00 -1.64 0.00 0.00 178.16 179.15 3ii6 s VAL 700 N -3.16 4.19 0.00 0.00 -7.23 -1.01 -2.60 120.40 110.59 3ii6 s VAL 700 Ca 0.07 -1.02 0.05 0.00 -1.81 0.00 0.00 61.98 59.27 3ii6 s VAL 700 Cb -0.01 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 3ii6 s VAL 700 CO -0.06 0.04 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.01 3ii6 s ILE 701 N -1.48 3.13 -0.43 -0.62 -1.09 0.13 -1.58 121.20 119.26 3ii6 s ILE 701 Ca 0.28 -0.92 0.06 0.00 -2.23 0.00 0.00 60.65 57.84 3ii6 s ILE 701 Cb -0.11 -2.30 0.21 0.00 -1.58 0.00 0.00 42.46 38.67 3ii6 s ILE 701 CO 0.20 0.43 0.44 0.00 -1.23 0.00 0.00 174.94 174.79 3ii6 n ALA 702 N 1.78 2.78 -0.19 9.38 0.00 -1.06 -1.27 120.51 131.93 3ii6 n ALA 702 Ca -0.16 -3.39 -0.10 0.00 0.00 0.00 0.00 53.44 49.79 3ii6 n ALA 702 Cb 0.52 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 19.19 3ii6 n ALA 702 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ii6 h GLY 703 N 4.88 1.11 -4.91 0.00 0.00 -0.66 -3.41 103.07 100.08 3ii6 h GLY 703 Ca 0.18 -0.87 -0.16 0.00 0.00 0.00 0.00 47.33 46.48 3ii6 h GLY 703 CO 0.45 0.80 -0.59 -0.56 0.00 0.00 0.00 176.54 176.64 3ii6 s SER 704 N -6.59 0.11 0.47 0.19 0.01 -1.26 -4.75 113.70 101.87 3ii6 s SER 704 Ca -0.12 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 56.63 3ii6 s SER 704 Cb 0.13 0.16 -0.10 0.00 0.21 0.00 0.00 66.02 66.42 3ii6 s SER 704 CO 0.86 -0.31 0.87 -0.62 0.41 0.00 0.00 173.24 174.45 3ii6 n GLU 705 N 1.65 1.05 -3.80 12.44 4.71 -1.26 -4.78 120.64 130.65 3ii6 n GLU 705 Ca -0.22 0.38 0.03 0.00 -0.01 0.00 0.00 57.16 57.34 3ii6 n GLU 705 Cb 0.56 -1.95 0.00 0.00 -1.01 0.00 0.00 31.44 29.05 3ii6 n GLU 705 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3ii6 s ASN 706 N -0.92 -0.02 0.00 1.62 3.04 -1.26 -4.98 114.94 112.42 3ii6 s ASN 706 Ca 0.66 -0.14 -0.25 0.00 0.04 0.00 0.00 52.86 53.18 3ii6 s ASN 706 Cb -0.52 0.12 -0.16 0.00 -1.54 0.00 0.00 41.25 39.14 3ii6 s ASN 706 CO 0.55 -0.24 1.19 0.40 -3.04 0.00 0.00 177.10 175.97 3ii6 h ILE 707 N 2.00 0.72 -0.35 -5.21 1.08 -1.98 0.34 117.51 114.11 3ii6 h ILE 707 Ca -0.27 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.52 3ii6 h ILE 707 Cb 1.19 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 3ii6 h ILE 707 CO 0.30 0.13 0.13 0.03 -0.69 0.00 0.00 178.15 178.05 3ii6 h ARG 708 N -0.76 0.48 0.17 2.37 3.08 -1.98 -1.69 114.38 116.06 3ii6 h ARG 708 Ca -0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ii6 h ARG 708 Cb 0.50 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3ii6 h ARG 708 CO 0.06 0.41 -0.08 0.28 -1.07 0.00 0.00 179.97 179.57 3ii6 h VAL 709 N 0.49 0.00 -0.98 2.04 2.07 -1.81 0.83 116.25 118.88 3ii6 h VAL 709 Ca 0.12 -0.51 0.24 0.00 0.82 0.00 0.00 66.70 67.37 3ii6 h VAL 709 Cb 0.11 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.69 3ii6 h VAL 709 CO -0.01 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 177.62 3ii6 h LYS 710 N -0.74 0.01 -0.40 1.57 1.79 -0.46 0.58 116.57 118.91 3ii6 h LYS 710 Ca -0.02 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 3ii6 h LYS 710 Cb 0.18 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3ii6 h LYS 710 CO 0.04 0.00 0.01 -0.97 -1.08 0.00 0.00 179.45 177.45 3ii6 h ASN 711 N 0.01 0.68 -0.98 0.86 -0.00 -1.21 -2.97 115.58 111.98 3ii6 h ASN 711 Ca 0.55 -0.30 0.04 0.00 -0.00 0.00 0.00 56.30 56.59 3ii6 h ASN 711 Cb 1.05 -0.18 -0.06 0.00 -0.00 0.00 0.00 38.32 39.13 3ii6 h ASN 711 CO -0.95 0.82 0.64 0.40 -0.00 0.00 0.00 177.43 178.34 3ii6 h ILE 712 N 0.53 1.16 -0.78 2.57 1.08 0.57 -1.87 117.51 120.77 3ii6 h ILE 712 Ca 0.11 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3ii6 h ILE 712 Cb 0.46 -0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.01 3ii6 h ILE 712 CO 0.02 0.22 0.49 0.40 -0.69 0.00 0.00 178.15 178.59 3ii6 h ILE 713 N 1.22 1.21 -0.63 -0.67 2.04 -0.58 -3.05 117.51 117.06 3ii6 h ILE 713 Ca 0.39 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3ii6 h ILE 713 Cb 0.02 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 3ii6 h ILE 713 CO -0.12 0.21 0.32 0.25 0.00 0.00 0.00 178.15 178.81 3ii6 h LEU 714 N 1.06 0.78-10.56 1.44 6.46 -1.18 -3.38 115.31 109.92 3ii6 h LEU 714 Ca 0.28 -0.07 -0.48 0.00 -0.12 0.00 0.00 57.88 57.50 3ii6 h LEU 714 Cb -0.08 -0.20 0.09 0.00 -0.73 0.00 0.00 40.66 39.74 3ii6 h LEU 714 CO -0.06 0.65 0.39 -0.44 -0.62 0.00 0.00 178.44 178.36 3ii6 s SER 715 N -6.49 4.89 -0.31 1.25 0.01 -0.97 -5.00 113.70 107.09 3ii6 s SER 715 Ca -0.10 0.87 0.13 0.00 1.31 0.00 0.00 55.95 58.16 3ii6 s SER 715 Cb 0.17 -1.50 0.47 0.00 0.21 0.00 0.00 66.02 65.37 3ii6 s SER 715 CO 0.78 -1.66 1.13 -3.20 0.41 0.00 0.00 173.24 170.70 3ii6 n ASN 716 N -3.15 3.43 0.07 2.44 5.15 -1.26 -4.71 115.26 117.23 3ii6 n ASN 716 Ca 0.07 -3.07 -0.04 0.00 -0.60 0.00 0.00 54.58 50.94 3ii6 n ASN 716 Cb 0.60 -0.42 -0.08 0.00 -0.53 0.00 0.00 39.78 39.35 3ii6 n ASN 716 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3ii6 h LYS 717 N 2.47 0.00 -4.94 1.20 3.64 -1.91 -3.40 116.57 113.63 3ii6 h LYS 717 Ca 0.14 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.19 3ii6 h LYS 717 Cb 1.32 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 33.00 3ii6 h LYS 717 CO 0.56 0.76 -0.66 -1.01 -2.27 0.00 0.00 179.45 176.83 3ii6 s HIS 718 N -2.79 1.41 -0.05 1.91 0.09 -1.26 -4.85 115.29 109.75 3ii6 s HIS 718 Ca 0.01 -0.99 0.02 0.00 -0.00 0.00 0.00 55.06 54.10 3ii6 s HIS 718 Cb 0.09 -0.81 0.01 0.00 -0.00 0.00 0.00 32.58 31.87 3ii6 s HIS 718 CO 0.80 -0.14 -0.09 0.34 -0.00 0.00 0.00 174.74 175.64 3ii6 s ASP 719 N -3.25 1.35 -0.03 1.40 3.68 -1.26 -3.96 116.67 114.59 3ii6 s ASP 719 Ca 0.28 -0.21 0.03 0.00 2.13 0.00 0.00 52.55 54.78 3ii6 s ASP 719 Cb 0.06 -0.54 -0.00 0.00 -1.45 0.00 0.00 42.92 40.99 3ii6 s ASP 719 CO 0.07 0.02 -0.13 -0.69 0.13 0.00 0.00 175.17 174.57 3ii6 s VAL 720 N 0.56 1.10 0.01 1.11 1.01 -0.29 -2.41 120.40 121.48 3ii6 s VAL 720 Ca -0.10 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ii6 s VAL 720 Cb -0.13 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3ii6 s VAL 720 CO 0.02 0.33 -0.05 -0.69 0.00 0.00 0.00 175.10 174.70 3ii6 s VAL 721 N 0.10 0.35 0.35 2.92 1.01 -0.62 0.03 120.40 124.54 3ii6 s VAL 721 Ca -0.03 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 3ii6 s VAL 721 Cb -0.10 -0.35 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 3ii6 s VAL 721 CO 0.01 -0.10 1.05 -1.59 0.00 0.00 0.00 175.10 174.48 3ii6 s LYS 722 N -0.62 4.35 0.55 2.72 -2.85 0.15 -2.57 119.74 121.48 3ii6 s LYS 722 Ca -0.03 1.59 0.42 0.00 -1.00 0.00 0.00 55.97 56.95 3ii6 s LYS 722 Cb -0.05 -2.78 1.61 0.00 -2.06 0.00 0.00 37.83 34.56 3ii6 s LYS 722 CO -0.00 0.01 1.69 -1.35 0.10 0.00 0.00 175.35 175.80 3ii6 h PRO 723 N 2.99 0.00 0.00 1.78 0.11 -1.91 0.11 132.00 135.08 3ii6 h PRO 723 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3ii6 h PRO 723 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ii6 h PRO 723 CO 0.64 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 178.28 3ii6 h ALA 724 N 1.20 1.41 -0.15 -0.75 0.00 -1.95 -2.42 119.26 116.59 3ii6 h ALA 724 Ca 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3ii6 h ALA 724 Cb 2.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.68 3ii6 h ALA 724 CO -0.01 0.19 0.10 2.35 0.00 0.00 0.00 179.25 181.88 3ii6 h TRP 725 N 0.00 0.19 -0.03 0.00 7.01 -1.13 -1.73 115.95 120.27 3ii6 h TRP 725 Ca -0.00 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 3ii6 h TRP 725 Cb 0.35 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 3ii6 h TRP 725 CO 0.00 0.12 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.44 3ii6 h LEU 726 N 0.21 0.05 -0.49 0.65 3.38 -1.56 -2.19 115.31 115.36 3ii6 h LEU 726 Ca 0.06 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3ii6 h LEU 726 Cb -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ii6 h LEU 726 CO -0.01 0.32 -0.44 -0.07 0.09 0.00 0.00 178.44 178.33 3ii6 h LEU 727 N 0.05 0.00 -0.12 1.67 3.38 -1.02 0.40 115.31 119.67 3ii6 h LEU 727 Ca 0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 3ii6 h LEU 727 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3ii6 h LEU 727 CO 0.04 0.44 -0.77 -0.33 0.09 0.00 0.00 178.44 177.90 3ii6 h GLU 728 N 0.00 0.73 -0.12 1.13 4.39 -0.72 -0.59 114.58 119.39 3ii6 h GLU 728 Ca -0.00 -0.63 0.04 0.00 0.34 0.00 0.00 59.36 59.11 3ii6 h GLU 728 Cb 1.14 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 3ii6 h GLU 728 CO 0.06 1.23 -0.20 0.00 -1.16 0.00 0.00 179.01 178.94 3ii6 h PHE 730 N -0.26 -0.96 -0.92 0.00 0.05 -0.24 0.11 116.94 114.72 3ii6 h PHE 730 Ca 0.10 -0.02 0.10 0.00 3.82 0.00 0.00 57.97 61.96 3ii6 h PHE 730 Cb 0.40 0.32 -0.08 0.00 2.00 0.00 0.00 35.95 38.59 3ii6 h PHE 730 CO -0.30 -0.60 0.56 -0.22 -0.18 0.00 0.00 178.31 177.57 3ii6 h LYS 731 N -1.03 0.90 -0.00 1.51 3.64 -1.07 -2.90 116.57 117.61 3ii6 h LYS 731 Ca -0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3ii6 h LYS 731 Cb 0.79 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3ii6 h LYS 731 CO 0.17 0.60 -0.12 0.25 -2.27 0.00 0.00 179.45 178.08 3ii6 n THR 732 N -4.66 0.00 -4.30 1.00 -2.24 0.26 -4.88 114.28 99.47 3ii6 n THR 732 Ca 0.16 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.49 3ii6 n THR 732 Cb 0.29 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 3ii6 n THR 732 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ii6 n LYS 733 N -0.92 -2.50 -4.20 -0.78 5.02 0.33 -4.98 118.16 110.14 3ii6 n LYS 733 Ca 0.14 0.31 -0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3ii6 n LYS 733 Cb 0.28 -5.01 -0.10 0.00 -0.02 0.00 0.00 35.03 30.19 3ii6 n LYS 733 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ii6 s SER 734 N -3.26 0.85 -1.18 4.39 1.04 -0.91 -4.91 113.70 109.72 3ii6 s SER 734 Ca 0.77 -1.17 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 3ii6 s SER 734 Cb -0.43 0.18 0.23 0.00 0.10 0.00 0.00 66.02 66.10 3ii6 s SER 734 CO 0.95 -0.62 1.54 0.33 0.98 0.00 0.00 173.24 176.42 3ii6 n PHE 735 N -0.16 3.58 -1.67 5.02 -0.00 -1.26 -4.12 117.46 118.85 3ii6 n PHE 735 Ca -0.07 -3.05 -0.61 0.00 -0.00 0.00 0.00 57.45 53.73 3ii6 n PHE 735 Cb 0.63 -1.76 -0.08 0.00 -0.00 0.00 0.00 39.48 38.27 3ii6 n PHE 735 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3ii6 n VAL 736 N 2.91 0.18 -1.67 -2.13 0.31 -1.26 -4.93 118.33 111.73 3ii6 n VAL 736 Ca 0.32 -0.05 -0.38 0.00 -0.01 0.00 0.00 64.34 64.22 3ii6 n VAL 736 Cb 0.37 -0.97 0.05 0.00 -0.91 0.00 0.00 33.84 32.38 3ii6 n VAL 736 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ii6 n PRO 737 N 5.34 1.26 -2.38 5.55 -0.02 -1.26 -4.93 135.00 138.55 3ii6 n PRO 737 Ca 0.31 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.91 3ii6 n PRO 737 Cb 0.06 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.20 3ii6 n PRO 737 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ii6 s TRP 738 N -1.39 2.88 0.00 6.00 0.51 -1.26 -5.04 118.94 120.64 3ii6 s TRP 738 Ca 0.73 1.56 0.00 0.00 -2.12 0.00 0.00 56.10 56.28 3ii6 s TRP 738 Cb -0.43 -3.21 -0.00 0.00 -0.81 0.00 0.00 33.47 29.01 3ii6 s TRP 738 CO 0.48 -1.22 -0.00 -0.65 -0.51 0.00 0.00 176.95 175.06 3ii6 s GLN 739 N -3.08 0.03 0.17 4.98 -0.21 -1.26 -5.04 119.66 115.24 3ii6 s GLN 739 Ca 0.68 -0.05 -0.10 0.00 0.02 0.00 0.00 55.36 55.91 3ii6 s GLN 739 Cb -0.22 0.01 0.21 0.00 1.00 0.00 0.00 33.01 34.01 3ii6 s GLN 739 CO 0.26 -0.00 1.08 -2.30 -2.12 0.00 0.00 175.29 172.20 3ii6 n PRO 740 N 2.96 -0.13 -0.21 2.91 -0.02 -1.26 -0.13 135.00 139.11 3ii6 n PRO 740 Ca -0.13 1.07 0.31 0.00 -2.02 0.00 0.00 63.50 62.73 3ii6 n PRO 740 Cb 0.60 -1.59 0.65 0.00 -0.02 0.00 0.00 33.50 33.14 3ii6 n PRO 740 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3ii6 h ARG 741 N 0.00 0.00 0.00 -0.52 0.11 -1.95 2.07 114.38 114.09 3ii6 h ARG 741 Ca 0.27 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.30 3ii6 h ARG 741 Cb 0.44 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 3ii6 h ARG 741 CO -0.70 0.00 -0.22 0.74 0.10 0.00 0.00 179.97 179.90 3ii6 h PHE 742 N 0.00 0.00 -3.40 4.08 0.05 -0.92 -3.47 116.94 113.28 3ii6 h PHE 742 Ca 0.48 0.00 -0.59 0.00 3.82 0.00 0.00 57.97 61.68 3ii6 h PHE 742 Cb 2.34 0.00 -0.09 0.00 2.00 0.00 0.00 35.95 40.20 3ii6 h PHE 742 CO 0.00 0.22 0.11 -1.64 -0.18 0.00 0.00 178.31 176.82 3ii6 s MET 743 N -3.24 4.25 0.04 1.51 -1.94 0.70 0.31 119.30 120.94 3ii6 s MET 743 Ca 0.04 0.66 -0.07 0.00 -1.71 0.00 0.00 55.69 54.61 3ii6 s MET 743 Cb 0.07 -3.55 -0.30 0.00 2.01 0.00 0.00 34.83 33.06 3ii6 s MET 743 CO 0.68 -0.18 1.00 -0.84 -0.01 0.00 0.00 175.02 175.67 3ii6 h ILE 744 N 5.10 1.31 -2.80 2.53 3.07 -0.69 -3.46 117.51 122.57 3ii6 h ILE 744 Ca -0.33 -2.87 -0.12 0.00 1.55 0.00 0.00 64.86 63.09 3ii6 h ILE 744 Cb 1.15 2.91 -0.23 0.00 -0.27 0.00 0.00 36.82 40.38 3ii6 h ILE 744 CO 0.77 0.85 -0.24 -2.28 -1.05 0.00 0.00 178.15 176.20 3ii6 s HIS 745 N -2.63 -0.40 -0.32 0.16 5.04 -0.69 -4.95 115.29 111.49 3ii6 s HIS 745 Ca -0.07 0.94 0.03 0.00 -1.54 0.00 0.00 55.06 54.41 3ii6 s HIS 745 Cb 0.06 0.15 0.09 0.00 0.04 0.00 0.00 32.58 32.92 3ii6 s HIS 745 CO 0.89 -0.25 0.02 -1.64 -2.34 0.00 0.00 174.74 171.42 3ii6 s MET 746 N -0.08 1.74 0.00 2.88 -1.94 -1.26 -1.14 119.30 119.50 3ii6 s MET 746 Ca -0.03 -1.72 0.00 0.00 -1.71 0.00 0.00 55.69 52.23 3ii6 s MET 746 Cb -0.03 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.65 3ii6 s MET 746 CO 0.01 -0.85 0.00 0.00 -0.01 0.00 0.00 175.02 174.18 3ii6 h PRO 748 N 0.00 1.20 -0.25 0.00 0.11 -1.92 -0.39 132.00 130.75 3ii6 h PRO 748 Ca 0.00 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 65.90 3ii6 h PRO 748 Cb 0.00 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 3ii6 h PRO 748 CO 0.00 0.82 -0.35 1.03 -0.21 0.00 0.00 178.00 179.28 3ii6 h SER 749 N 1.23 0.57 0.51 -2.05 0.87 -1.94 -3.10 113.55 109.64 3ii6 h SER 749 Ca 0.33 -0.23 -0.29 0.00 -1.23 0.00 0.00 61.79 60.36 3ii6 h SER 749 Cb -0.11 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3ii6 h SER 749 CO -0.07 0.87 -1.51 0.00 -0.53 0.00 0.00 176.83 175.60 3ii6 h THR 750 N 0.46 1.16 -0.46 2.23 1.03 -1.64 -2.98 112.91 112.70 3ii6 h THR 750 Ca 0.05 -2.84 0.13 0.00 -0.01 0.00 0.00 66.41 63.74 3ii6 h THR 750 Cb 0.83 2.71 -0.02 0.00 -1.07 0.00 0.00 68.15 70.60 3ii6 h THR 750 CO 0.07 0.79 0.47 0.11 -0.01 0.00 0.00 175.52 176.95 3ii6 h LYS 751 N 0.05 0.00 0.00 0.00 1.79 -1.13 -1.73 116.57 115.55 3ii6 h LYS 751 Ca -0.23 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.01 3ii6 h LYS 751 Cb 1.98 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.59 3ii6 h LYS 751 CO 0.14 0.00 -1.94 -1.91 -1.08 0.00 0.00 179.45 174.66 3ii6 n GLU 752 N -3.78 1.53 -0.07 3.15 0.00 -1.17 -2.22 120.64 118.07 3ii6 n GLU 752 Ca 0.08 -0.02 -0.10 0.00 0.00 0.00 0.00 57.16 57.12 3ii6 n GLU 752 Cb 0.66 -1.36 -0.03 0.00 0.00 0.00 0.00 31.44 30.70 3ii6 n GLU 752 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3ii6 h HIS 753 N 0.00 0.35 -0.01 4.31 2.76 -1.36 -3.15 115.15 118.05 3ii6 h HIS 753 Ca -0.34 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 3ii6 h HIS 753 Cb 1.74 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.59 3ii6 h HIS 753 CO 0.00 0.33 0.00 1.19 -1.30 0.00 0.00 177.93 178.15 3ii6 n PHE 754 N -4.83 0.01 0.58 5.26 0.99 -0.67 -3.47 117.46 115.33 3ii6 n PHE 754 Ca -0.03 -0.01 0.07 0.00 -0.00 0.00 0.00 57.45 57.48 3ii6 n PHE 754 Cb 0.09 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.59 3ii6 n PHE 754 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ii6 n ALA 755 N -0.61 2.87 0.12 4.37 0.00 -0.94 -3.30 120.51 123.01 3ii6 n ALA 755 Ca 0.07 -0.52 -0.24 0.00 0.00 0.00 0.00 53.44 52.76 3ii6 n ALA 755 Cb 0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 18.88 3ii6 n ALA 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ii6 h ARG 756 N 1.77 0.48 0.00 0.00 3.08 -1.58 -3.40 114.38 114.73 3ii6 h ARG 756 Ca 0.00 -0.81 -0.19 0.00 0.07 0.00 0.00 59.98 59.05 3ii6 h ARG 756 Cb 0.48 0.30 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3ii6 h ARG 756 CO 0.00 1.39 -2.12 -1.91 -1.07 0.00 0.00 179.97 176.26 3ii6 n GLU 757 N -3.75 0.67 -4.16 0.04 4.07 -1.26 -4.92 120.64 111.33 3ii6 n GLU 757 Ca -0.19 -0.07 -0.15 0.00 -0.06 0.00 0.00 57.16 56.69 3ii6 n GLU 757 Cb 1.06 -1.55 -0.11 0.00 -0.06 0.00 0.00 31.44 30.78 3ii6 n GLU 757 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3ii6 s TYR 758 N -2.99 1.07 1.01 4.31 1.51 -1.21 -1.73 117.35 119.33 3ii6 s TYR 758 Ca -0.08 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.27 3ii6 s TYR 758 Cb 0.10 -0.59 0.20 0.00 -0.11 0.00 0.00 41.96 41.55 3ii6 s TYR 758 CO 0.86 0.01 1.08 0.34 -1.11 0.00 0.00 175.55 176.73 3ii6 s ASP 759 N -2.17 2.35 0.00 2.29 2.15 -0.26 -4.07 116.67 116.96 3ii6 s ASP 759 Ca 0.02 1.53 0.00 0.00 0.43 0.00 0.00 52.55 54.53 3ii6 s ASP 759 Cb -0.06 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 3ii6 s ASP 759 CO 0.01 -3.35 0.51 0.00 -0.17 0.00 0.00 175.17 172.17 3ii6 n TYR 761 N -0.48 0.00 0.00 0.00 4.02 -1.26 -4.98 117.16 114.46 3ii6 n TYR 761 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3ii6 n TYR 761 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3ii6 n TYR 761 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ii6 n GLY 762 N 0.62 0.71 3.70 2.72 0.00 -0.72 -4.78 105.19 107.44 3ii6 n GLY 762 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3ii6 n GLY 762 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ii6 s ASP 763 N -2.21 6.94 0.24 1.61 2.15 -1.26 -4.77 116.67 119.35 3ii6 s ASP 763 Ca 0.00 1.13 -0.31 0.00 0.43 0.00 0.00 52.55 53.80 3ii6 s ASP 763 Cb 0.00 -2.41 -0.12 0.00 -0.30 0.00 0.00 42.92 40.09 3ii6 s ASP 763 CO 0.00 -0.19 1.61 -1.20 -0.17 0.00 0.00 175.17 175.23 3ii6 n SER 764 N 4.21 3.64 -0.32 -0.34 7.64 -1.26 -1.11 113.62 126.09 3ii6 n SER 764 Ca -0.00 1.11 0.17 0.00 1.01 0.00 0.00 58.87 61.16 3ii6 n SER 764 Cb 0.51 -1.54 0.35 0.00 -1.01 0.00 0.00 64.21 62.52 3ii6 n SER 764 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3ii6 h TYR 765 N 5.56 0.32 0.00 1.43 0.99 -1.67 -3.36 116.97 120.24 3ii6 h TYR 765 Ca -0.45 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.34 3ii6 h TYR 765 Cb 1.23 0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.97 3ii6 h TYR 765 CO 0.61 -0.34 -0.36 1.19 -0.00 0.00 0.00 178.16 179.26 3ii6 n PHE 766 N -5.32 0.00 -5.05 4.88 3.01 -1.26 -4.96 117.46 108.75 3ii6 n PHE 766 Ca 0.26 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.39 3ii6 n PHE 766 Cb 0.83 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 40.14 3ii6 n PHE 766 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3ii6 s ILE 767 N -1.35 2.17 0.37 4.37 -1.09 -1.26 -5.10 121.20 119.31 3ii6 s ILE 767 Ca 0.00 -0.97 -0.28 0.00 -2.23 0.00 0.00 60.65 57.17 3ii6 s ILE 767 Cb 0.00 -1.85 -0.11 0.00 -1.58 0.00 0.00 42.46 38.92 3ii6 s ILE 767 CO 0.00 0.55 1.50 0.47 -1.23 0.00 0.00 174.94 176.23 3ii6 n ASP 768 N 3.64 3.81 -2.59 3.58 8.00 -1.26 -4.62 116.55 127.10 3ii6 n ASP 768 Ca -0.19 1.22 0.00 0.00 0.71 0.00 0.00 54.79 56.53 3ii6 n ASP 768 Cb 0.53 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 3ii6 n ASP 768 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3ii6 n THR 769 N 0.58 0.00 -3.68 -3.53 5.66 -1.26 -5.04 114.28 107.01 3ii6 n THR 769 Ca 0.02 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.95 3ii6 n THR 769 Cb 0.39 -1.28 -0.02 0.00 -1.55 0.00 0.00 70.33 67.87 3ii6 n THR 769 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3ii6 s ASP 770 N -1.36 -0.29 0.02 1.09 -1.08 -1.26 -5.01 116.67 108.78 3ii6 s ASP 770 Ca 0.00 -0.31 -0.16 0.00 -0.52 0.00 0.00 52.55 51.56 3ii6 s ASP 770 Cb 0.00 0.53 -0.09 0.00 -1.46 0.00 0.00 42.92 41.91 3ii6 s ASP 770 CO 0.00 -0.95 1.15 0.25 0.52 0.00 0.00 175.17 176.14 3ii6 h LEU 771 N 2.00 -0.49 0.00 -1.34 5.85 -1.99 0.22 115.31 119.55 3ii6 h LEU 771 Ca -0.24 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3ii6 h LEU 771 Cb 1.25 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3ii6 h LEU 771 CO 0.28 -0.33 0.00 -3.20 -0.34 0.00 0.00 178.44 174.85 3ii6 n ASN 772 N -3.70 0.00 -0.22 1.25 2.85 -1.26 -1.57 115.26 112.61 3ii6 n ASN 772 Ca -0.07 0.84 0.16 0.00 -0.11 0.00 0.00 54.58 55.40 3ii6 n ASN 772 Cb 0.23 -0.38 0.47 0.00 1.24 0.00 0.00 39.78 41.34 3ii6 n ASN 772 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 3ii6 h GLN 773 N 0.00 0.48 0.00 1.20 4.15 -1.97 -1.72 115.11 117.25 3ii6 h GLN 773 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3ii6 h GLN 773 Cb 0.00 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 3ii6 h GLN 773 CO 0.00 0.32 -0.62 1.25 -1.93 0.00 0.00 178.83 177.85 3ii6 h LEU 774 N 0.49 0.00 -0.24 -2.39 6.46 0.24 -2.54 115.31 117.33 3ii6 h LEU 774 Ca 0.43 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.14 3ii6 h LEU 774 Cb 0.93 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 3ii6 h LEU 774 CO -0.17 0.05 -0.07 0.50 -0.62 0.00 0.00 178.44 178.13 3ii6 h LYS 775 N 0.00 0.47 -0.05 1.25 1.63 -0.66 -0.83 116.57 118.38 3ii6 h LYS 775 Ca -0.01 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 3ii6 h LYS 775 Cb 1.04 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.64 3ii6 h LYS 775 CO 0.00 0.70 0.03 1.49 -3.45 0.00 0.00 179.45 178.23 3ii6 h GLU 776 N 0.20 0.07 -0.21 1.90 4.57 -1.15 0.98 114.58 120.95 3ii6 h GLU 776 Ca 0.06 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 3ii6 h GLU 776 Cb 0.54 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.05 3ii6 h GLU 776 CO 0.03 0.08 -0.19 0.28 -1.18 0.00 0.00 179.01 178.02 3ii6 h VAL 777 N 0.04 0.49 -0.84 0.32 2.07 -1.48 -2.46 116.25 114.39 3ii6 h VAL 777 Ca 0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.63 3ii6 h VAL 777 Cb 0.03 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 3ii6 h VAL 777 CO -0.00 0.00 0.55 -0.26 0.02 0.00 0.00 177.57 177.87 3ii6 h PHE 778 N -0.20 0.88 0.00 1.57 0.05 -0.60 -2.96 116.94 115.67 3ii6 h PHE 778 Ca 0.12 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.94 3ii6 h PHE 778 Cb 0.39 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.06 3ii6 h PHE 778 CO -0.34 0.41 -0.01 1.03 -0.18 0.00 0.00 178.31 179.23 3ii6 h SER 779 N 0.82 0.00 -3.51 2.17 0.87 -0.33 -3.32 113.55 110.25 3ii6 h SER 779 Ca 0.38 0.00 -0.76 0.00 -1.23 0.00 0.00 61.79 60.18 3ii6 h SER 779 Cb 0.40 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.09 3ii6 h SER 779 CO -0.15 0.01 -0.13 -0.83 -0.53 0.00 0.00 176.83 175.19 3ii6 s GLY 780 N -4.14 2.35 0.00 5.77 0.00 -1.12 -4.96 107.32 105.23 3ii6 s GLY 780 Ca -0.05 -2.92 0.00 0.00 0.00 0.00 0.00 44.72 41.75 3ii6 s GLY 780 CO 0.47 1.20 0.00 1.39 0.00 0.00 0.00 173.10 176.17 3ii6 n ILE 781 N 4.52 0.00 -1.40 0.90 5.41 -1.25 -5.07 119.36 122.47 3ii6 n ILE 781 Ca 0.00 0.00 -0.55 0.00 1.00 0.00 0.00 62.75 63.20 3ii6 n ILE 781 Cb 0.43 0.08 -0.08 0.00 -0.71 0.00 0.00 39.64 39.36 3ii6 n ILE 781 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3ii6 n LYS 782 N 0.00 0.00 0.00 0.38 4.81 -1.26 -4.97 118.16 117.12 3ii6 n LYS 782 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3ii6 n LYS 782 Cb 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.73 3ii6 n LYS 782 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3ii6 n ASN 783 N 2.05 0.00 0.00 3.14 4.13 -1.26 -5.05 115.26 118.27 3ii6 n ASN 783 Ca 0.21 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.47 3ii6 n ASN 783 Cb 0.03 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 3ii6 n ASN 783 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3ii6 n SER 784 N 0.00 0.00 0.00 6.41 3.41 -1.26 -5.03 113.62 117.15 3ii6 n SER 784 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ii6 n SER 784 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ii6 n SER 784 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ii6 n ASN 785 N 0.00 0.00 0.00 4.04 4.13 -1.26 -3.83 115.26 118.34 3ii6 n ASN 785 Ca 0.00 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.17 3ii6 n ASN 785 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3ii6 n ASN 785 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3ii6 n GLU 786 N 0.00 0.00 -3.47 3.52 4.71 -1.26 -4.01 120.64 120.13 3ii6 n GLU 786 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.97 3ii6 n GLU 786 Cb 0.02 -0.72 -0.12 0.00 -1.01 0.00 0.00 31.44 29.61 3ii6 n GLU 786 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3ii6 s GLN 787 N -0.60 0.22 0.23 3.49 -0.21 -1.25 -5.08 119.66 116.46 3ii6 s GLN 787 Ca 0.00 0.17 -0.31 0.00 0.02 0.00 0.00 55.36 55.24 3ii6 s GLN 787 Cb 0.00 -1.09 -0.11 0.00 1.00 0.00 0.00 33.01 32.80 3ii6 s GLN 787 CO 0.00 -0.70 1.64 0.99 -2.12 0.00 0.00 175.29 175.10 3ii6 s THR 788 N 2.34 2.17 0.30 -0.19 2.01 -1.26 -4.83 115.64 116.18 3ii6 s THR 788 Ca 0.08 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.22 3ii6 s THR 788 Cb -0.16 -3.08 0.40 0.00 0.01 0.00 0.00 72.50 69.68 3ii6 s THR 788 CO -0.15 0.01 1.50 -2.65 -0.69 0.00 0.00 174.62 172.64 3ii6 n PRO 789 N 3.34 -0.08 -0.08 4.92 -0.02 -1.26 0.12 135.00 141.95 3ii6 n PRO 789 Ca 0.13 1.43 0.19 0.00 -2.02 0.00 0.00 63.50 63.23 3ii6 n PRO 789 Cb 0.37 -2.27 0.62 0.00 -0.02 0.00 0.00 33.50 32.19 3ii6 n PRO 789 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ii6 h GLU 790 N 0.00 0.16 0.00 -0.52 3.07 -2.00 -1.79 114.58 113.49 3ii6 h GLU 790 Ca 0.58 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.42 3ii6 h GLU 790 Cb 1.18 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3ii6 h GLU 790 CO -0.90 0.10 -0.31 1.49 -1.40 0.00 0.00 179.01 177.99 3ii6 h GLU 791 N 0.16 0.00 -0.80 2.33 4.81 -0.71 -3.08 114.58 117.30 3ii6 h GLU 791 Ca 0.31 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.66 3ii6 h GLU 791 Cb 1.00 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.25 3ii6 h GLU 791 CO -0.05 0.06 -0.41 0.52 -0.73 0.00 0.00 179.01 178.40 3ii6 h MET 792 N -1.00 -0.09 -0.61 1.92 2.86 -0.96 -1.53 114.93 115.52 3ii6 h MET 792 Ca -0.01 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3ii6 h MET 792 Cb 0.34 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.95 3ii6 h MET 792 CO -0.01 -0.06 -0.36 0.00 1.06 0.00 0.00 176.91 177.54 3ii6 n ALA 793 N -3.29 -0.39 -0.08 6.32 0.00 -0.68 -0.37 120.51 122.01 3ii6 n ALA 793 Ca 0.06 0.52 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 3ii6 n ALA 793 Cb 0.36 -0.07 0.09 0.00 0.00 0.00 0.00 19.45 19.83 3ii6 n ALA 793 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ii6 h SER 794 N 0.00 0.78 0.44 0.00 0.02 -1.21 0.42 113.55 114.00 3ii6 h SER 794 Ca 0.10 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3ii6 h SER 794 Cb 0.25 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3ii6 h SER 794 CO -0.57 0.98 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.82 3ii6 h LEU 795 N 0.67 -0.50 -0.49 5.07 3.38 -0.52 0.43 115.31 123.33 3ii6 h LEU 795 Ca 0.09 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3ii6 h LEU 795 Cb 0.74 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 3ii6 h LEU 795 CO 0.06 -0.26 -0.50 0.40 0.09 0.00 0.00 178.44 178.22 3ii6 h ILE 796 N -0.72 0.00 -1.00 1.22 2.04 -0.63 -0.49 117.51 117.94 3ii6 h ILE 796 Ca -0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.00 3ii6 h ILE 796 Cb 0.52 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.49 3ii6 h ILE 796 CO 0.10 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.86 3ii6 h ALA 797 N -0.06 1.79 0.06 1.87 0.00 -0.00 -0.00 119.26 122.92 3ii6 h ALA 797 Ca 0.08 0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 3ii6 h ALA 797 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ii6 h ALA 797 CO -0.60 -0.17 -1.08 -0.44 0.00 0.00 0.00 179.25 176.95 3ii6 h ASP 798 N 0.67 0.42 0.02 0.00 3.32 0.47 -2.24 116.42 119.08 3ii6 h ASP 798 Ca 0.58 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3ii6 h ASP 798 Cb 1.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3ii6 h ASP 798 CO -0.36 1.25 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.32 3ii6 h LEU 799 N 0.13 -0.03 -0.54 1.55 3.38 0.11 0.49 115.31 120.40 3ii6 h LEU 799 Ca -0.10 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3ii6 h LEU 799 Cb 1.77 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.45 3ii6 h LEU 799 CO 0.18 0.09 0.10 -0.33 0.09 0.00 0.00 178.44 178.56 3ii6 h GLU 800 N -0.14 0.22 0.28 1.13 5.08 -1.08 0.24 114.58 120.33 3ii6 h GLU 800 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ii6 h GLU 800 Cb 0.13 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3ii6 h GLU 800 CO 0.01 0.15 -0.46 -0.92 -1.00 0.00 0.00 179.01 176.78 3ii6 h TYR 801 N 0.23 -1.31 -0.69 4.33 3.20 -1.39 0.72 116.97 122.07 3ii6 h TYR 801 Ca 0.28 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.23 3ii6 h TYR 801 Cb 0.39 0.53 -0.08 0.00 1.54 0.00 0.00 36.73 39.11 3ii6 h TYR 801 CO -0.25 -0.57 -0.40 -2.13 -1.64 0.00 0.00 178.16 173.17 3ii6 n ARG 802 N -5.15 -0.30 -0.11 1.82 3.00 0.17 -2.65 116.66 113.44 3ii6 n ARG 802 Ca -0.09 1.32 0.06 0.00 -0.00 0.00 0.00 57.85 59.14 3ii6 n ARG 802 Cb 0.39 -1.95 0.22 0.00 0.00 0.00 0.00 32.46 31.13 3ii6 n ARG 802 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3ii6 n TYR 803 N -4.55 0.29 -3.80 -0.14 4.01 0.06 -4.92 117.16 108.09 3ii6 n TYR 803 Ca 0.01 -0.14 -0.28 0.00 -0.16 0.00 0.00 57.90 57.33 3ii6 n TYR 803 Cb 0.18 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.25 3ii6 n TYR 803 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3ii6 n SER 804 N 0.20 -5.10 -0.83 7.72 7.64 0.36 -4.91 113.62 118.69 3ii6 n SER 804 Ca 0.11 -0.70 0.12 0.00 1.01 0.00 0.00 58.87 59.41 3ii6 n SER 804 Cb 0.24 -4.28 0.29 0.00 -1.01 0.00 0.00 64.21 59.44 3ii6 n SER 804 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3ii6 n TRP 805 N -4.77 0.27 1.13 1.43 8.01 0.23 -4.51 117.44 119.23 3ii6 n TRP 805 Ca 0.01 -0.13 0.12 0.00 -1.31 0.00 0.00 57.50 56.18 3ii6 n TRP 805 Cb 0.55 0.00 0.60 0.00 -2.01 0.00 0.00 31.31 30.45 3ii6 n TRP 805 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3ii6 n ASP 806 N 0.89 0.00 -1.06 -0.99 3.85 -1.14 -1.87 116.55 116.23 3ii6 n ASP 806 Ca 0.17 -0.07 0.11 0.00 -0.71 0.00 0.00 54.79 54.29 3ii6 n ASP 806 Cb 0.47 -0.28 0.17 0.00 -1.35 0.00 0.00 41.12 40.14 3ii6 n ASP 806 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ii6 s SER 808 N -1.57 6.58 0.15 0.00 0.15 -0.78 -4.82 113.70 113.40 3ii6 s SER 808 Ca 0.34 2.84 -0.24 0.00 0.70 0.00 0.00 55.95 59.59 3ii6 s SER 808 Cb 0.21 -2.65 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3ii6 s SER 808 CO 0.30 -0.70 1.61 -0.65 1.20 0.00 0.00 173.24 175.00 3ii6 h PRO 809 N 3.44 -0.31 0.00 5.44 0.11 -1.90 0.65 132.00 139.43 3ii6 h PRO 809 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ii6 h PRO 809 Cb 1.23 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ii6 h PRO 809 CO 0.67 -0.20 0.00 1.28 -0.21 0.00 0.00 178.00 179.53 3ii6 n LEU 810 N -5.41 0.00 -0.02 2.35 4.77 -1.26 -1.04 117.00 116.39 3ii6 n LEU 810 Ca -0.01 0.35 0.01 0.00 -0.03 0.00 0.00 56.01 56.34 3ii6 n LEU 810 Cb 0.33 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3ii6 n LEU 810 CO 0.11 -0.33 0.47 -1.20 -1.33 0.00 0.00 177.39 175.11 3ii6 n SER 811 N -1.35 1.76 -0.12 -1.43 7.64 0.21 -2.54 113.62 117.79 3ii6 n SER 811 Ca 0.01 -2.03 -0.05 0.00 1.01 0.00 0.00 58.87 57.80 3ii6 n SER 811 Cb 0.02 -0.07 0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3ii6 n SER 811 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3ii6 h MET 812 N 0.00 0.22 -0.87 1.43 -1.53 0.55 -0.41 114.93 114.32 3ii6 h MET 812 Ca 0.00 -0.01 -0.17 0.00 -3.44 0.00 0.00 59.70 56.07 3ii6 h MET 812 Cb 0.65 -0.05 -0.10 0.00 -0.55 0.00 0.00 31.60 31.55 3ii6 h MET 812 CO 0.00 0.15 0.22 1.19 0.14 0.00 0.00 176.91 178.60 3ii6 n PHE 813 N -5.08 1.70 -0.22 1.39 3.01 -0.75 -4.69 117.46 112.83 3ii6 n PHE 813 Ca 0.02 -0.94 -0.01 0.00 1.01 0.00 0.00 57.45 57.54 3ii6 n PHE 813 Cb 0.17 -0.54 0.21 0.00 -0.01 0.00 0.00 39.48 39.31 3ii6 n PHE 813 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ii6 h ARG 814 N 1.62 1.01 -0.00 -1.08 2.47 -1.11 -1.60 114.38 115.70 3ii6 h ARG 814 Ca 0.21 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3ii6 h ARG 814 Cb 1.86 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.97 3ii6 h ARG 814 CO 0.53 0.71 -0.01 0.54 0.56 0.00 0.00 179.97 182.30 3ii6 n ARG 815 N -4.38 0.77 -3.30 0.04 1.74 -1.26 -4.46 116.66 105.81 3ii6 n ARG 815 Ca 0.08 -0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 3ii6 n ARG 815 Cb 0.07 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.95 3ii6 n ARG 815 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3ii6 s HIS 816 N -2.26 3.73 -0.26 -1.55 3.76 -0.60 -4.96 115.29 113.15 3ii6 s HIS 816 Ca 0.39 1.21 -0.01 0.00 -0.15 0.00 0.00 55.06 56.49 3ii6 s HIS 816 Cb 0.21 -2.46 0.03 0.00 1.11 0.00 0.00 32.58 31.48 3ii6 s HIS 816 CO 0.41 0.53 -0.06 0.99 -0.85 0.00 0.00 174.74 175.76 3ii6 s THR 817 N -1.25 2.80 -0.07 1.30 2.01 -1.26 -2.55 115.64 116.63 3ii6 s THR 817 Ca 0.32 -1.15 0.05 0.00 0.31 0.00 0.00 61.69 61.22 3ii6 s THR 817 Cb -0.18 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 3ii6 s THR 817 CO 0.19 0.13 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.33 3ii6 s VAL 818 N 1.29 2.22 -0.33 3.82 1.01 0.62 -1.40 120.40 127.61 3ii6 s VAL 818 Ca -0.02 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 3ii6 s VAL 818 Cb -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3ii6 s VAL 818 CO -0.04 0.56 0.17 -0.47 0.00 0.00 0.00 175.10 175.33 3ii6 s TYR 819 N -0.03 3.20 0.09 5.22 5.04 -1.02 -1.45 117.35 128.39 3ii6 s TYR 819 Ca -0.07 -0.70 -0.23 0.00 -2.44 0.00 0.00 57.07 53.64 3ii6 s TYR 819 Cb -0.15 -2.39 -0.07 0.00 0.35 0.00 0.00 41.96 39.71 3ii6 s TYR 819 CO 0.05 -0.52 0.68 -0.51 -1.34 0.00 0.00 175.55 173.91 3ii6 s LEU 820 N 1.60 4.52 -1.20 6.97 1.43 -1.26 -0.31 118.68 130.43 3ii6 s LEU 820 Ca 0.04 1.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 3ii6 s LEU 820 Cb -0.18 -3.10 -0.07 0.00 0.03 0.00 0.00 46.19 42.88 3ii6 s LEU 820 CO 0.06 0.18 2.37 -0.67 0.23 0.00 0.00 176.35 178.52 3ii6 n ASP 821 N 2.03 5.60 -1.04 2.29 2.03 -0.90 -4.47 116.55 122.08 3ii6 n ASP 821 Ca -0.07 -2.53 0.10 0.00 0.52 0.00 0.00 54.79 52.80 3ii6 n ASP 821 Cb 0.50 -1.33 0.26 0.00 -0.72 0.00 0.00 41.12 39.83 3ii6 n ASP 821 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3ii6 n SER 822 N 4.81 3.03 -4.05 1.67 7.64 -1.26 -4.87 113.62 120.59 3ii6 n SER 822 Ca 0.57 -1.98 -0.31 0.00 1.01 0.00 0.00 58.87 58.16 3ii6 n SER 822 Cb 0.24 -0.36 -0.16 0.00 -1.01 0.00 0.00 64.21 62.93 3ii6 n SER 822 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3ii6 s TYR 823 N -1.29 2.41 0.61 1.43 1.51 -1.26 0.53 117.35 121.30 3ii6 s TYR 823 Ca 0.38 -1.41 0.24 0.00 -1.01 0.00 0.00 57.07 55.27 3ii6 s TYR 823 Cb 0.20 -1.72 1.01 0.00 -0.11 0.00 0.00 41.96 41.34 3ii6 s TYR 823 CO 0.27 -0.73 1.47 0.00 -1.11 0.00 0.00 175.55 175.45 3ii6 h ALA 824 N 8.00 2.51 -3.24 3.71 0.00 -1.66 -3.31 119.26 125.27 3ii6 h ALA 824 Ca -0.40 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 3ii6 h ALA 824 Cb 1.13 0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.63 3ii6 h ALA 824 CO 0.56 -1.27 -0.86 0.08 0.00 0.00 0.00 179.25 177.76 3ii6 s VAL 825 N -4.40 1.89 0.23 0.00 1.01 -1.26 -5.06 120.40 112.81 3ii6 s VAL 825 Ca -0.03 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 3ii6 s VAL 825 Cb 0.12 -1.67 -0.14 0.00 0.00 0.00 0.00 36.38 34.68 3ii6 s VAL 825 CO 0.41 0.52 1.18 -0.38 0.00 0.00 0.00 175.10 176.83 3ii6 n ILE 826 N 4.03 1.29 -0.95 2.22 5.41 -1.25 -1.44 119.36 128.67 3ii6 n ILE 826 Ca -0.20 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.23 3ii6 n ILE 826 Cb 0.52 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.37 3ii6 n ILE 826 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ii6 n ASN 827 N 1.75 -2.33 -4.21 4.38 3.02 -1.26 -4.93 115.26 111.69 3ii6 n ASN 827 Ca 0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.26 3ii6 n ASN 827 Cb 0.29 -1.08 -0.08 0.00 -0.61 0.00 0.00 39.78 38.31 3ii6 n ASN 827 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ii6 s ASP 828 N -2.28 5.79 0.26 6.41 -1.08 -0.52 -4.93 116.67 120.31 3ii6 s ASP 828 Ca 0.00 -2.24 0.14 0.00 -0.52 0.00 0.00 52.55 49.93 3ii6 s ASP 828 Cb 0.00 -2.01 0.75 0.00 -1.46 0.00 0.00 42.92 40.19 3ii6 s ASP 828 CO 0.00 -0.61 1.35 0.18 0.52 0.00 0.00 175.17 176.61 3ii6 n LEU 829 N 4.46 0.36 -0.97 -1.34 4.77 -1.26 -1.03 117.00 121.98 3ii6 n LEU 829 Ca -0.01 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 3ii6 n LEU 829 Cb 0.41 -0.60 0.15 0.00 -2.33 0.00 0.00 43.42 41.05 3ii6 n LEU 829 CO 0.40 -0.72 0.64 -1.54 -1.33 0.00 0.00 177.39 174.83 3ii6 n SER 830 N -2.00 3.09 -1.58 -1.43 3.41 -1.26 -3.60 113.62 110.25 3ii6 n SER 830 Ca -0.01 -1.92 0.07 0.00 -0.26 0.00 0.00 58.87 56.75 3ii6 n SER 830 Cb 0.18 -0.14 0.36 0.00 -0.26 0.00 0.00 64.21 64.35 3ii6 n SER 830 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ii6 n THR 831 N 1.28 2.63 -1.69 6.66 -2.24 -0.20 -5.04 114.28 115.68 3ii6 n THR 831 Ca 0.16 -1.58 -0.43 0.00 -2.27 0.00 0.00 64.05 59.93 3ii6 n THR 831 Cb 0.55 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 3ii6 n THR 831 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ii6 n LYS 832 N 0.22 2.74 -2.76 -0.78 0.00 -1.24 -1.73 118.16 114.61 3ii6 n LYS 832 Ca 0.26 1.00 -0.43 0.00 0.00 0.00 0.00 58.31 59.14 3ii6 n LYS 832 Cb 1.11 -2.88 -0.03 0.00 0.00 0.00 0.00 35.03 33.23 3ii6 n LYS 832 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3ii6 s ASN 833 N 2.51 6.73 0.18 3.14 0.01 0.19 -4.84 114.94 122.86 3ii6 s ASN 833 Ca 0.81 0.68 -0.04 0.00 -0.71 0.00 0.00 52.86 53.61 3ii6 s ASN 833 Cb -0.50 -2.48 -0.05 0.00 0.41 0.00 0.00 41.25 38.62 3ii6 s ASN 833 CO 0.37 -0.88 0.41 -1.61 -1.51 0.00 0.00 177.10 173.88 3ii6 s GLU 834 N 3.55 3.60 -0.38 -0.60 2.02 -1.26 -4.67 118.70 120.97 3ii6 s GLU 834 Ca 0.40 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 55.25 3ii6 s GLU 834 Cb -0.12 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3ii6 s GLU 834 CO 0.18 0.42 0.38 0.41 0.02 0.00 0.00 175.26 176.67 3ii6 n GLY 835 N -0.21 -0.88 3.17 -1.39 0.00 -1.26 -5.06 105.19 99.55 3ii6 n GLY 835 Ca -0.03 0.30 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 3ii6 n GLY 835 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ii6 s THR 836 N -2.74 0.03 0.57 2.61 2.01 -1.26 -4.99 115.64 111.88 3ii6 s THR 836 Ca 0.03 -0.27 0.35 0.00 0.31 0.00 0.00 61.69 62.11 3ii6 s THR 836 Cb -0.01 -0.46 0.50 0.00 0.01 0.00 0.00 72.50 72.54 3ii6 s THR 836 CO 0.43 -0.15 1.65 0.03 -0.69 0.00 0.00 174.62 175.89 3ii6 h ARG 837 N 4.89 0.00 0.00 4.92 3.08 -1.97 -0.42 114.38 124.89 3ii6 h ARG 837 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 3ii6 h ARG 837 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 3ii6 h ARG 837 CO 0.37 0.00 -0.74 -0.07 -1.07 0.00 0.00 179.97 178.45 3ii6 h LEU 838 N 0.00 0.00 -0.20 3.04 3.38 -1.95 -2.05 115.31 117.53 3ii6 h LEU 838 Ca 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.47 3ii6 h LEU 838 Cb 2.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.19 3ii6 h LEU 838 CO -0.01 0.56 0.04 0.00 0.09 0.00 0.00 178.44 179.13 3ii6 h ALA 839 N 1.44 0.27 0.00 1.53 0.00 -1.42 -1.06 119.26 120.02 3ii6 h ALA 839 Ca -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3ii6 h ALA 839 Cb 1.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3ii6 h ALA 839 CO 0.07 -0.08 -0.19 0.82 0.00 0.00 0.00 179.25 179.87 3ii6 h ILE 840 N 0.14 1.09 -0.23 0.00 2.04 -1.38 -2.45 117.51 116.71 3ii6 h ILE 840 Ca 0.06 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 3ii6 h ILE 840 Cb 0.29 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3ii6 h ILE 840 CO 0.00 0.19 -0.28 0.11 0.00 0.00 0.00 178.15 178.17 3ii6 h LYS 841 N 0.00 0.45 -0.37 2.37 6.56 -0.62 -1.34 116.57 123.62 3ii6 h LYS 841 Ca -0.00 -0.18 -0.04 0.00 -1.06 0.00 0.00 60.65 59.38 3ii6 h LYS 841 Cb 0.35 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 3ii6 h LYS 841 CO 0.02 0.69 0.09 0.00 -2.06 0.00 0.00 179.45 178.20 3ii6 h ALA 842 N 1.31 0.48 -0.91 3.86 0.00 -0.87 0.25 119.26 123.38 3ii6 h ALA 842 Ca 0.05 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ii6 h ALA 842 Cb 0.69 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3ii6 h ALA 842 CO 0.05 0.15 0.60 -0.07 0.00 0.00 0.00 179.25 179.98 3ii6 h LEU 843 N 0.44 0.97 -0.31 0.00 -0.00 -1.15 -0.38 115.31 114.89 3ii6 h LEU 843 Ca 0.12 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.92 3ii6 h LEU 843 Cb 0.30 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 3ii6 h LEU 843 CO 0.00 0.65 -0.09 -0.33 -0.00 0.00 0.00 178.44 178.68 3ii6 h GLU 844 N 1.12 0.60 -1.01 1.13 5.08 -0.12 -0.80 114.58 120.58 3ii6 h GLU 844 Ca 0.37 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3ii6 h GLU 844 Cb 0.07 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 3ii6 h GLU 844 CO -0.12 0.79 0.65 -0.07 -1.00 0.00 0.00 179.01 179.27 3ii6 h LEU 845 N 0.37 1.06 -0.25 1.33 3.38 -0.75 -2.62 115.31 117.83 3ii6 h LEU 845 Ca 0.08 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 3ii6 h LEU 845 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3ii6 h LEU 845 CO 0.03 0.68 -0.89 0.03 0.09 0.00 0.00 178.44 178.38 3ii6 h ARG 846 N 1.20 0.27 -0.17 1.13 3.08 -0.66 0.20 114.38 119.44 3ii6 h ARG 846 Ca 0.43 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3ii6 h ARG 846 Cb 0.13 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3ii6 h ARG 846 CO -0.16 1.00 -0.18 0.35 -1.07 0.00 0.00 179.97 179.90 3ii6 h PHE 847 N 0.15 0.31 -0.77 3.04 3.57 -1.00 -2.55 116.94 119.70 3ii6 h PHE 847 Ca -0.06 -0.05 -0.41 0.00 3.53 0.00 0.00 57.97 60.99 3ii6 h PHE 847 Cb 1.52 -0.08 -0.24 0.00 2.79 0.00 0.00 35.95 39.94 3ii6 h PHE 847 CO 0.04 0.46 0.53 0.72 -2.23 0.00 0.00 178.31 177.83 3ii6 n HIS 848 N -4.21 2.37 -0.10 0.41 8.25 -1.00 -4.80 115.22 116.15 3ii6 n HIS 848 Ca -0.01 -1.66 0.00 0.00 -0.26 0.00 0.00 57.72 55.79 3ii6 n HIS 848 Cb 0.32 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.59 3ii6 n HIS 848 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ii6 n GLY 849 N -0.71 0.52 3.78 -1.41 0.00 -0.96 -1.80 105.19 104.61 3ii6 n GLY 849 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 3ii6 n GLY 849 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii6 s ALA 850 N -2.23 2.75 -0.47 4.61 0.00 0.71 -3.53 121.76 123.59 3ii6 s ALA 850 Ca 0.00 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 3ii6 s ALA 850 Cb 0.00 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.84 3ii6 s ALA 850 CO 0.00 -0.64 0.68 0.21 0.00 0.00 0.00 175.76 176.02 3ii6 s LYS 851 N -3.33 3.26 0.01 0.00 2.20 -1.06 -4.55 119.74 116.27 3ii6 s LYS 851 Ca 0.70 -0.46 -0.12 0.00 -0.36 0.00 0.00 55.97 55.73 3ii6 s LYS 851 Cb -0.21 -4.00 -0.06 0.00 -1.51 0.00 0.00 37.83 32.06 3ii6 s LYS 851 CO 0.25 -1.12 0.37 0.14 -0.36 0.00 0.00 175.35 174.64 3ii6 s VAL 852 N 2.94 5.10 -0.02 4.02 -7.23 -1.26 -0.28 120.40 123.68 3ii6 s VAL 852 Ca 0.22 0.66 0.02 0.00 -1.81 0.00 0.00 61.98 61.08 3ii6 s VAL 852 Cb -0.15 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.13 3ii6 s VAL 852 CO 0.18 0.50 -0.08 0.54 -0.31 0.00 0.00 175.10 175.93 3ii6 s VAL 853 N -1.16 0.65 -2.52 1.32 0.11 -0.53 -4.91 120.40 113.35 3ii6 s VAL 853 Ca 0.25 -0.31 0.23 0.00 -2.93 0.00 0.00 61.98 59.22 3ii6 s VAL 853 Cb -0.15 -0.57 0.40 0.00 -1.53 0.00 0.00 36.38 34.53 3ii6 s VAL 853 CO 0.14 0.20 1.41 -1.54 -3.33 0.00 0.00 175.10 171.98 3ii6 n SER 854 N 3.15 3.08 -3.88 3.54 3.41 -1.26 -4.35 113.62 117.31 3ii6 n SER 854 Ca -0.16 -1.94 -0.26 0.00 -0.26 0.00 0.00 58.87 56.25 3ii6 n SER 854 Cb 0.56 -0.19 -0.17 0.00 -0.26 0.00 0.00 64.21 64.14 3ii6 n SER 854 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ii6 s LEU 856 N 1.72 3.60 0.34 0.00 0.20 -1.26 -4.95 118.68 118.33 3ii6 s LEU 856 Ca 0.04 1.17 -0.13 0.00 0.69 0.00 0.00 54.13 55.90 3ii6 s LEU 856 Cb -0.13 -3.53 0.03 0.00 -0.43 0.00 0.00 46.19 42.13 3ii6 s LEU 856 CO -0.07 -1.52 0.65 0.00 -0.29 0.00 0.00 176.35 175.12 3ii6 s ALA 857 N 6.02 -0.34 0.10 5.97 0.00 -1.26 -5.03 121.76 127.23 3ii6 s ALA 857 Ca 0.71 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 3ii6 s ALA 857 Cb -0.19 0.88 -0.08 0.00 0.00 0.00 0.00 23.12 23.73 3ii6 s ALA 857 CO 0.32 -0.92 1.54 -2.00 0.00 0.00 0.00 175.76 174.70 3ii6 s GLU 858 N -2.97 4.24 0.00 0.00 2.56 -1.26 -2.75 118.70 118.51 3ii6 s GLU 858 Ca 0.20 2.24 0.00 0.00 0.00 0.00 0.00 54.97 57.40 3ii6 s GLU 858 Cb -0.03 -3.38 0.00 0.00 2.00 0.00 0.00 34.13 32.72 3ii6 s GLU 858 CO 0.13 -0.61 0.00 0.41 -0.56 0.00 0.00 175.26 174.63 3ii6 n GLY 859 N 3.76 1.61 3.75 -1.50 0.00 -1.26 -5.08 105.19 106.47 3ii6 n GLY 859 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ii6 n GLY 859 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ii6 s VAL 860 N -1.72 2.26 -0.15 1.61 -7.23 -1.11 -4.74 120.40 109.32 3ii6 s VAL 860 Ca 0.00 0.22 0.19 0.00 -1.81 0.00 0.00 61.98 60.58 3ii6 s VAL 860 Cb 0.00 -3.14 -0.27 0.00 0.56 0.00 0.00 36.38 33.53 3ii6 s VAL 860 CO 0.00 0.04 0.24 -1.54 -0.31 0.00 0.00 175.10 173.53 3ii6 n SER 861 N 2.22 0.08 -3.97 4.85 3.41 -0.50 -4.22 113.62 115.49 3ii6 n SER 861 Ca 0.08 0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 3ii6 n SER 861 Cb 0.38 1.18 -0.12 0.00 -0.26 0.00 0.00 64.21 65.39 3ii6 n SER 861 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ii6 s HIS 862 N -2.79 0.33 -0.02 7.33 3.76 -1.14 -0.96 115.29 121.80 3ii6 s HIS 862 Ca -0.09 -0.34 0.05 0.00 -0.15 0.00 0.00 55.06 54.53 3ii6 s HIS 862 Cb 0.08 -0.21 -0.01 0.00 1.11 0.00 0.00 32.58 33.55 3ii6 s HIS 862 CO 0.85 -0.10 -0.18 0.08 -0.85 0.00 0.00 174.74 174.55 3ii6 s VAL 863 N -0.92 1.41 -0.25 -0.90 1.01 0.16 -2.44 120.40 118.47 3ii6 s VAL 863 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3ii6 s VAL 863 Cb -0.07 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.17 3ii6 s VAL 863 CO -0.00 0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 174.79 3ii6 s ILE 864 N -0.28 2.58 0.33 2.22 -1.09 0.58 -1.09 121.20 124.45 3ii6 s ILE 864 Ca 0.04 -1.26 -0.20 0.00 -2.23 0.00 0.00 60.65 56.99 3ii6 s ILE 864 Cb -0.08 -2.38 -0.10 0.00 -1.58 0.00 0.00 42.46 38.33 3ii6 s ILE 864 CO 0.00 0.12 0.85 -0.63 -1.23 0.00 0.00 174.94 174.05 3ii6 s ILE 865 N 1.24 4.46 0.00 2.92 -1.09 -0.92 -2.12 121.20 125.68 3ii6 s ILE 865 Ca -0.03 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 3ii6 s ILE 865 Cb -0.18 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 3ii6 s ILE 865 CO -0.05 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.21 3ii6 n GLY 866 N 0.01 3.46 0.19 6.18 0.00 -1.26 -2.04 105.19 111.72 3ii6 n GLY 866 Ca 0.03 -1.49 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 3ii6 n GLY 866 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ii6 h GLU 867 N 0.00 0.61 -5.80 1.61 5.08 -2.00 -3.40 114.58 110.67 3ii6 h GLU 867 Ca 0.00 -0.39 -0.54 0.00 -1.00 0.00 0.00 59.36 57.44 3ii6 h GLU 867 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ii6 h GLU 867 CO 0.00 1.00 1.56 -3.47 -1.00 0.00 0.00 179.01 177.11 3ii6 n ASP 868 N -4.26 2.74 -0.82 1.42 -0.08 -1.26 -4.87 116.55 109.42 3ii6 n ASP 868 Ca -0.06 -0.11 0.03 0.00 -1.51 0.00 0.00 54.79 53.14 3ii6 n ASP 868 Cb 0.53 -1.55 0.13 0.00 2.34 0.00 0.00 41.12 42.57 3ii6 n ASP 868 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3ii6 n HIS 869 N 13.52 0.60 -0.02 -0.67 8.25 -1.26 -4.66 115.22 130.97 3ii6 n HIS 869 Ca 0.34 -0.22 0.04 0.00 -0.26 0.00 0.00 57.72 57.62 3ii6 n HIS 869 Cb 0.48 -0.17 0.42 0.00 1.12 0.00 0.00 29.99 31.83 3ii6 n HIS 869 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ii6 h SER 870 N 1.40 0.50 -0.11 0.41 4.64 -1.96 -1.63 113.55 116.79 3ii6 h SER 870 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ii6 h SER 870 Cb 0.81 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3ii6 h SER 870 CO 0.12 0.36 0.00 0.54 -0.87 0.00 0.00 176.83 176.97 3ii6 n ARG 871 N -4.47 1.83 -0.33 4.77 1.74 -1.26 -4.54 116.66 114.40 3ii6 n ARG 871 Ca 0.04 -1.23 0.07 0.00 -0.77 0.00 0.00 57.85 55.95 3ii6 n ARG 871 Cb 0.07 -1.45 0.23 0.00 -1.02 0.00 0.00 32.46 30.30 3ii6 n ARG 871 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ii6 h VAL 872 N 2.72 0.84 -0.08 1.55 2.07 -1.64 0.22 116.25 121.94 3ii6 h VAL 872 Ca 0.00 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3ii6 h VAL 872 Cb 0.59 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3ii6 h VAL 872 CO 0.00 0.15 -0.31 0.00 0.02 0.00 0.00 177.57 177.43 3ii6 h ALA 873 N 1.54 0.14 -0.57 1.67 0.00 -1.80 -1.38 119.26 118.86 3ii6 h ALA 873 Ca 0.48 -0.43 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3ii6 h ALA 873 Cb 0.56 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 3ii6 h ALA 873 CO -0.30 0.19 -0.25 -0.44 0.00 0.00 0.00 179.25 178.45 3ii6 h ASP 874 N -0.13 -0.87 -0.63 0.00 3.32 -1.72 0.59 116.42 116.98 3ii6 h ASP 874 Ca -0.02 0.20 0.09 0.00 0.02 0.00 0.00 57.03 57.32 3ii6 h ASP 874 Cb 0.95 0.47 -0.07 0.00 0.22 0.00 0.00 39.33 40.91 3ii6 h ASP 874 CO 0.07 -0.26 0.27 -0.26 -1.72 0.00 0.00 179.24 177.34 3ii6 h PHE 875 N -0.11 0.49 -0.00 4.55 0.05 -0.87 0.76 116.94 121.81 3ii6 h PHE 875 Ca 0.25 0.03 -0.13 0.00 3.82 0.00 0.00 57.97 61.95 3ii6 h PHE 875 Cb 0.51 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 3ii6 h PHE 875 CO -0.56 0.16 -0.60 0.87 -0.18 0.00 0.00 178.31 178.00 3ii6 h LYS 876 N 0.48 0.02 -0.29 1.51 1.57 -0.90 -1.01 116.57 117.95 3ii6 h LYS 876 Ca 0.31 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3ii6 h LYS 876 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3ii6 h LYS 876 CO -0.28 0.61 0.08 0.00 -0.57 0.00 0.00 179.45 179.29 3ii6 h ALA 877 N 1.39 0.38 -0.88 3.86 0.00 0.42 -2.44 119.26 121.99 3ii6 h ALA 877 Ca -0.01 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3ii6 h ALA 877 Cb 1.06 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3ii6 h ALA 877 CO 0.08 0.02 0.54 0.74 0.00 0.00 0.00 179.25 180.63 3ii6 h PHE 878 N 0.30 0.98 0.00 0.00 -1.00 0.97 -2.85 116.94 115.34 3ii6 h PHE 878 Ca 0.09 0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.78 3ii6 h PHE 878 Cb 0.26 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 3ii6 h PHE 878 CO 0.01 0.46 -0.58 -0.09 -1.61 0.00 0.00 178.31 176.50 3ii6 h ARG 879 N 0.93 0.00 -0.32 1.51 2.43 -1.09 -0.61 114.38 117.24 3ii6 h ARG 879 Ca 0.40 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.66 3ii6 h ARG 879 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3ii6 h ARG 879 CO -0.21 0.58 0.30 0.00 -1.51 0.00 0.00 179.97 179.12 3ii6 h ARG 880 N 0.00 0.00 -0.01 0.20 3.08 -1.19 -1.48 114.38 114.98 3ii6 h ARG 880 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ii6 h ARG 880 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3ii6 h ARG 880 CO 0.07 0.00 -0.09 0.25 -1.07 0.00 0.00 179.97 179.14 3ii6 n THR 881 N -3.98 0.00 -2.76 2.04 -2.24 -0.24 -4.91 114.28 102.20 3ii6 n THR 881 Ca 0.05 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 3ii6 n THR 881 Cb 0.46 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 3ii6 n THR 881 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3ii6 s PHE 882 N -2.17 3.55 -0.01 4.78 0.40 -0.56 -5.00 117.98 118.98 3ii6 s PHE 882 Ca 0.33 0.77 0.11 0.00 -0.60 0.00 0.00 56.93 57.55 3ii6 s PHE 882 Cb 0.20 -2.26 -0.17 0.00 0.51 0.00 0.00 43.02 41.31 3ii6 s PHE 882 CO 0.40 -0.21 1.02 -0.22 0.70 0.00 0.00 175.22 176.91 3ii6 h LYS 883 N 0.40 0.00 -0.09 0.44 3.64 -1.91 -3.41 116.57 115.65 3ii6 h LYS 883 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3ii6 h LYS 883 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3ii6 h LYS 883 CO 0.62 0.65 0.00 -2.13 -2.27 0.00 0.00 179.45 176.32 3ii6 n ARG 884 N -3.16 2.85 -3.54 1.90 3.00 -1.26 -5.03 116.66 111.42 3ii6 n ARG 884 Ca -0.07 -1.75 -0.25 0.00 -0.00 0.00 0.00 57.85 55.78 3ii6 n ARG 884 Cb 0.94 -1.12 0.05 0.00 0.00 0.00 0.00 32.46 32.32 3ii6 n ARG 884 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3ii6 n LYS 885 N -0.32 -1.93 -1.30 -0.14 4.01 -1.26 -4.88 118.16 112.34 3ii6 n LYS 885 Ca 0.05 0.61 -0.36 0.00 -0.51 0.00 0.00 58.31 58.09 3ii6 n LYS 885 Cb 0.34 -4.79 0.07 0.00 -0.51 0.00 0.00 35.03 30.13 3ii6 n LYS 885 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 3ii6 n PHE 886 N -3.88 -0.47 -3.55 2.13 1.16 -1.26 -5.03 117.46 106.57 3ii6 n PHE 886 Ca -0.11 0.37 -0.31 0.00 -1.87 0.00 0.00 57.45 55.53 3ii6 n PHE 886 Cb 0.61 -1.95 -0.04 0.00 -1.61 0.00 0.00 39.48 36.48 3ii6 n PHE 886 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3ii6 s LYS 887 N -2.83 3.66 -0.16 3.97 -0.14 -0.14 -4.95 119.74 119.16 3ii6 s LYS 887 Ca 0.67 0.01 -0.03 0.00 -1.36 0.00 0.00 55.97 55.26 3ii6 s LYS 887 Cb -0.36 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.01 3ii6 s LYS 887 CO 0.56 0.38 -0.05 0.42 -0.76 0.00 0.00 175.35 175.90 3ii6 s ILE 888 N -1.79 3.78 0.05 2.17 1.01 -1.26 -0.66 121.20 124.49 3ii6 s ILE 888 Ca 0.43 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.71 3ii6 s ILE 888 Cb -0.11 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 3ii6 s ILE 888 CO 0.25 0.49 -0.08 -0.76 0.00 0.00 0.00 174.94 174.84 3ii6 s LEU 889 N 0.42 2.26 0.43 2.97 1.43 -0.25 -1.31 118.68 124.63 3ii6 s LEU 889 Ca -0.04 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.25 3ii6 s LEU 889 Cb -0.14 -0.20 -0.08 0.00 0.03 0.00 0.00 46.19 45.79 3ii6 s LEU 889 CO 0.03 -0.20 1.12 -0.54 0.23 0.00 0.00 176.35 176.99 3ii6 s LYS 890 N -1.66 3.94 0.40 1.70 1.02 -0.51 -2.17 119.74 122.46 3ii6 s LYS 890 Ca -0.09 1.67 0.12 0.00 0.02 0.00 0.00 55.97 57.70 3ii6 s LYS 890 Cb -0.10 -2.47 0.93 0.00 -0.52 0.00 0.00 37.83 35.67 3ii6 s LYS 890 CO 0.00 -0.37 1.92 0.93 -0.92 0.00 0.00 175.35 176.91 3ii6 h GLU 891 N 2.26 0.53 0.00 1.68 5.08 -1.77 -2.08 114.58 120.29 3ii6 h GLU 891 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3ii6 h GLU 891 Cb 1.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3ii6 h GLU 891 CO 0.61 0.35 0.00 -1.13 -1.00 0.00 0.00 179.01 177.84 3ii6 n SER 892 N -4.50 0.20 -0.18 1.42 3.41 -1.26 -2.61 113.62 110.09 3ii6 n SER 892 Ca 0.14 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.27 3ii6 n SER 892 Cb 0.45 -0.58 0.09 0.00 -0.26 0.00 0.00 64.21 63.91 3ii6 n SER 892 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3ii6 h TRP 893 N 0.00 0.31 0.29 7.33 7.01 -1.77 0.21 115.95 129.34 3ii6 h TRP 893 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3ii6 h TRP 893 Cb 0.46 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.47 3ii6 h TRP 893 CO 0.00 0.06 -0.14 0.28 -2.79 0.00 0.00 178.44 175.85 3ii6 h VAL 894 N 0.34 0.63 -0.06 2.65 2.07 -1.69 0.52 116.25 120.71 3ii6 h VAL 894 Ca 0.28 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3ii6 h VAL 894 Cb 0.35 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3ii6 h VAL 894 CO -0.31 0.13 -0.09 0.74 0.02 0.00 0.00 177.57 178.06 3ii6 h THR 895 N -0.86 0.74 -0.92 2.57 2.02 -1.50 -2.15 112.91 112.81 3ii6 h THR 895 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 3ii6 h THR 895 Cb 0.52 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 3ii6 h THR 895 CO 0.07 0.00 0.60 0.44 0.37 0.00 0.00 175.52 177.00 3ii6 h ASP 896 N -0.13 1.03 0.16 4.18 3.32 -0.57 -1.30 116.42 123.10 3ii6 h ASP 896 Ca 0.06 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3ii6 h ASP 896 Cb 0.21 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3ii6 h ASP 896 CO -0.14 0.73 -0.08 0.28 -1.72 0.00 0.00 179.24 178.32 3ii6 h SER 897 N 1.21 -0.18 -0.59 6.45 0.02 -0.73 -2.00 113.55 117.73 3ii6 h SER 897 Ca 0.34 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3ii6 h SER 897 Cb -0.09 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3ii6 h SER 897 CO -0.09 -0.07 0.03 0.40 -1.14 0.00 0.00 176.83 175.96 3ii6 h ILE 898 N -0.27 1.26 -0.27 3.27 2.04 -1.37 0.42 117.51 122.60 3ii6 h ILE 898 Ca -0.02 -1.11 -0.16 0.00 1.00 0.00 0.00 64.86 64.56 3ii6 h ILE 898 Cb 0.21 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3ii6 h ILE 898 CO 0.04 0.41 -0.49 0.44 0.00 0.00 0.00 178.15 178.54 3ii6 h ASP 899 N 0.96 0.81 -0.95 1.72 3.45 -0.89 -1.16 116.42 120.35 3ii6 h ASP 899 Ca 0.18 -0.41 -0.57 0.00 0.43 0.00 0.00 57.03 56.66 3ii6 h ASP 899 Cb 0.52 -0.23 -0.29 0.00 -0.56 0.00 0.00 39.33 38.76 3ii6 h ASP 899 CO 0.03 1.16 0.66 0.29 -1.57 0.00 0.00 179.24 179.80 3ii6 n LYS 900 N -4.00 2.46 -1.45 3.56 5.02 -0.78 -4.93 118.16 118.03 3ii6 n LYS 900 Ca -0.03 -3.18 -0.07 0.00 -2.02 0.00 0.00 58.31 53.01 3ii6 n LYS 900 Cb 0.59 -2.21 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 3ii6 n LYS 900 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ii6 s GLU 902 N -3.08 0.96 -0.24 0.00 -1.05 -0.47 -4.59 118.70 110.23 3ii6 s GLU 902 Ca 0.00 -0.23 -0.36 0.00 -0.15 0.00 0.00 54.97 54.23 3ii6 s GLU 902 Cb 0.00 0.45 -0.12 0.00 -0.44 0.00 0.00 34.13 34.02 3ii6 s GLU 902 CO 0.00 -0.40 1.99 1.28 0.95 0.00 0.00 175.26 179.09 3ii6 n LEU 903 N -0.04 2.69 -4.64 1.83 4.77 -1.26 -4.28 117.00 116.06 3ii6 n LEU 903 Ca -0.13 0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 56.30 3ii6 n LEU 903 Cb 0.62 -1.29 0.20 0.00 -2.33 0.00 0.00 43.42 40.62 3ii6 n LEU 903 CO 0.13 -0.44 0.62 -1.10 -1.33 0.00 0.00 177.39 175.28 3ii6 s GLN 904 N 4.95 -0.10 0.10 3.23 -1.52 -1.26 -5.00 119.66 120.06 3ii6 s GLN 904 Ca 1.01 0.38 0.01 0.00 -1.95 0.00 0.00 55.36 54.82 3ii6 s GLN 904 Cb -0.82 -1.69 -0.01 0.00 -0.22 0.00 0.00 33.01 30.28 3ii6 s GLN 904 CO 0.53 -3.06 0.10 0.39 -0.25 0.00 0.00 175.29 173.00 3ii6 n GLU 905 N -4.38 0.15 0.16 2.91 1.02 -1.26 -4.94 120.64 114.29 3ii6 n GLU 905 Ca 0.06 -0.94 0.05 0.00 -0.02 0.00 0.00 57.16 56.31 3ii6 n GLU 905 Cb 0.58 0.81 0.06 0.00 -0.02 0.00 0.00 31.44 32.86 3ii6 n GLU 905 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3ii6 h GLU 906 N 0.00 0.00 0.00 3.49 5.08 -2.00 -3.26 114.58 117.89 3ii6 h GLU 906 Ca -0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3ii6 h GLU 906 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3ii6 h GLU 906 CO 0.10 0.36 -0.50 -0.91 -1.00 0.00 0.00 179.01 177.06 3ii6 h ASN 907 N 0.00 0.00 -0.90 1.42 2.35 -1.98 2.40 115.58 118.87 3ii6 h ASN 907 Ca -0.01 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.82 3ii6 h ASN 907 Cb 1.29 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.55 3ii6 h ASN 907 CO 0.05 0.50 -0.53 0.00 -1.65 0.00 0.00 177.43 175.80 3ii6 n GLN 908 N -3.50 -0.40 -0.09 0.81 6.02 -1.23 -3.83 117.38 115.17 3ii6 n GLN 908 Ca 0.00 1.41 0.11 0.00 -0.01 0.00 0.00 57.00 58.51 3ii6 n GLN 908 Cb 0.61 -2.08 0.35 0.00 1.02 0.00 0.00 30.24 30.15 3ii6 n GLN 908 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3ii6 n TYR 909 N -5.06 0.23 -1.49 1.08 4.02 0.80 -4.90 117.16 111.84 3ii6 n TYR 909 Ca 0.02 -0.11 -0.51 0.00 -0.01 0.00 0.00 57.90 57.29 3ii6 n TYR 909 Cb 0.23 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.49 3ii6 n TYR 909 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3ii6 n LEU 910 N 0.52 2.29 0.00 7.72 4.77 -0.91 -1.42 117.00 129.97 3ii6 n LEU 910 Ca 0.17 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 3ii6 n LEU 910 Cb 0.38 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3ii6 n LEU 910 CO 0.14 -0.66 0.00 0.00 -1.33 0.00 0.00 177.39 175.54