#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii6 h ILE 655 N 0.00 0.83 -1.78 0.58 2.04 -1.13 -3.44 117.51 114.61 3ii6 h ILE 655 Ca 0.00 -0.45 0.30 0.00 1.00 0.00 0.00 64.86 65.71 3ii6 h ILE 655 Cb 0.00 1.26 -0.10 0.00 -0.74 0.00 0.00 36.82 37.24 3ii6 h ILE 655 CO 0.00 0.12 0.77 -0.55 0.00 0.00 0.00 178.15 178.49 3ii6 s SER 656 N -6.58 -0.06 -0.01 1.72 0.15 -1.01 -4.98 113.70 102.92 3ii6 s SER 656 Ca -0.04 -0.23 0.22 0.00 0.70 0.00 0.00 55.95 56.60 3ii6 s SER 656 Cb 0.15 0.23 0.37 0.00 -1.71 0.00 0.00 66.02 65.06 3ii6 s SER 656 CO 0.63 -0.44 1.14 -0.46 1.20 0.00 0.00 173.24 175.32 3ii6 n ASN 657 N -0.65 0.69 -0.12 5.45 0.23 -1.21 -2.72 115.26 116.93 3ii6 n ASN 657 Ca -0.06 -2.00 0.27 0.00 -0.53 0.00 0.00 54.58 52.26 3ii6 n ASN 657 Cb 0.62 -0.21 0.66 0.00 -2.08 0.00 0.00 39.78 38.77 3ii6 n ASN 657 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 3ii6 h ILE 658 N 6.60 0.26 -0.21 1.53 3.07 -1.91 -3.11 117.51 123.74 3ii6 h ILE 658 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 3ii6 h ILE 658 Cb 1.79 0.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.73 3ii6 h ILE 658 CO 0.04 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.63 3ii6 n PHE 659 N -3.69 0.60 -2.76 0.16 0.99 0.21 -4.86 117.46 108.11 3ii6 n PHE 659 Ca 0.17 -0.79 -0.35 0.00 -0.00 0.00 0.00 57.45 56.49 3ii6 n PHE 659 Cb 1.08 -0.20 -0.06 0.00 -1.00 0.00 0.00 39.48 39.29 3ii6 n PHE 659 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 3ii6 s GLU 660 N -2.30 4.35 -1.26 -1.08 -1.05 -0.95 -1.14 118.70 115.28 3ii6 s GLU 660 Ca 0.33 1.26 0.00 0.00 -0.15 0.00 0.00 54.97 56.41 3ii6 s GLU 660 Cb 0.26 -2.48 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 3ii6 s GLU 660 CO 0.09 0.07 0.00 -0.25 0.95 0.00 0.00 175.26 176.11 3ii6 n ASP 661 N -0.09 -5.26 -4.26 0.83 8.00 -1.24 -4.95 116.55 109.58 3ii6 n ASP 661 Ca 0.05 0.29 -0.33 0.00 0.71 0.00 0.00 54.79 55.51 3ii6 n ASP 661 Cb 0.52 -3.80 -0.16 0.00 -0.02 0.00 0.00 41.12 37.66 3ii6 n ASP 661 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ii6 s VAL 662 N -2.16 2.48 -0.23 2.53 1.01 -0.29 -5.05 120.40 118.69 3ii6 s VAL 662 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 3ii6 s VAL 662 Cb 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 3ii6 s VAL 662 CO 0.00 0.53 0.15 -0.70 0.00 0.00 0.00 175.10 175.08 3ii6 s GLU 663 N 0.59 4.07 0.28 2.72 2.12 -1.26 -0.86 118.70 126.36 3ii6 s GLU 663 Ca -0.10 -0.28 0.11 0.00 0.36 0.00 0.00 54.97 55.06 3ii6 s GLU 663 Cb -0.16 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 3ii6 s GLU 663 CO 0.03 0.10 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.67 3ii6 s PHE 664 N 0.95 2.45 -0.21 5.30 0.08 -0.67 0.23 117.98 126.10 3ii6 s PHE 664 Ca 0.07 -0.31 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 3ii6 s PHE 664 Cb -0.13 -1.12 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 3ii6 s PHE 664 CO 0.03 0.66 -0.13 0.00 -0.10 0.00 0.00 175.22 175.68 3ii6 s VAL 666 N 1.33 4.93 -0.12 0.00 1.01 -1.26 0.85 120.40 127.14 3ii6 s VAL 666 Ca 0.03 -0.79 0.20 0.00 0.00 0.00 0.00 61.98 61.42 3ii6 s VAL 666 Cb -0.14 -4.34 -0.21 0.00 0.00 0.00 0.00 36.38 31.69 3ii6 s VAL 666 CO -0.09 -0.88 0.58 0.80 0.00 0.00 0.00 175.10 175.52 3ii6 n MET 667 N 6.03 0.65 -3.86 2.72 1.56 0.78 -4.92 117.12 120.08 3ii6 n MET 667 Ca -0.09 -0.01 -0.11 0.00 -0.27 0.00 0.00 57.70 57.22 3ii6 n MET 667 Cb 0.44 -1.64 -0.10 0.00 2.15 0.00 0.00 33.22 34.07 3ii6 n MET 667 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 3ii6 s SER 668 N -5.15 -0.00 0.00 6.12 0.01 -1.05 -4.92 113.70 108.71 3ii6 s SER 668 Ca -0.06 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.04 3ii6 s SER 668 Cb 0.10 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.56 3ii6 s SER 668 CO 0.85 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.75 3ii6 n GLY 669 N 1.51 4.42 0.00 3.44 0.00 -1.26 -2.33 105.19 110.96 3ii6 n GLY 669 Ca -0.22 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3ii6 n GLY 669 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ii6 n THR 670 N 0.00 0.00 0.00 2.61 -2.24 -0.46 -4.54 114.28 109.65 3ii6 n THR 670 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ii6 n THR 670 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3ii6 n THR 670 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ii6 n ASP 671 N 0.00 0.00 0.00 3.42 8.00 -1.26 -3.81 116.55 122.90 3ii6 n ASP 671 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3ii6 n ASP 671 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3ii6 n ASP 671 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ii6 n SER 672 N -0.31 0.00 -4.12 -2.24 2.88 -1.26 -4.42 113.62 104.15 3ii6 n SER 672 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 3ii6 n SER 672 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3ii6 n SER 672 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3ii6 s GLN 673 N 0.00 2.54 0.75 -1.46 -1.52 -1.26 -5.06 119.66 113.65 3ii6 s GLN 673 Ca 0.00 -2.37 -0.11 0.00 -1.95 0.00 0.00 55.36 50.93 3ii6 s GLN 673 Cb 0.00 -3.77 0.04 0.00 -0.22 0.00 0.00 33.01 29.07 3ii6 s GLN 673 CO 0.00 -1.17 1.08 -1.25 -0.25 0.00 0.00 175.29 173.71 3ii6 s PRO 674 N 0.23 2.47 0.10 2.91 0.04 -1.25 -1.35 135.00 138.15 3ii6 s PRO 674 Ca 0.15 0.71 -0.16 0.00 0.04 0.00 0.00 61.00 61.74 3ii6 s PRO 674 Cb -0.20 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3ii6 s PRO 674 CO -0.04 -1.36 1.51 -0.22 0.04 0.00 0.00 177.00 176.93 3ii6 h LYS 675 N -0.90 0.62 0.00 4.56 3.64 -1.84 -2.64 116.57 120.01 3ii6 h LYS 675 Ca -0.46 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 58.55 3ii6 h LYS 675 Cb 1.25 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3ii6 h LYS 675 CO 0.59 0.79 -0.67 -1.35 -2.27 0.00 0.00 179.45 176.54 3ii6 h PRO 676 N 0.40 0.00 -0.27 1.90 0.11 -1.95 -1.41 132.00 130.78 3ii6 h PRO 676 Ca 0.08 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.21 3ii6 h PRO 676 Cb 0.55 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 3ii6 h PRO 676 CO 0.03 0.67 0.13 -0.44 -0.21 0.00 0.00 178.00 178.18 3ii6 h ASP 677 N 0.00 0.20 -0.71 -2.05 5.19 -1.85 0.34 116.42 117.53 3ii6 h ASP 677 Ca -0.01 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3ii6 h ASP 677 Cb 1.39 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.84 3ii6 h ASP 677 CO 0.09 0.15 0.46 -0.07 -3.12 0.00 0.00 179.24 176.75 3ii6 h LEU 678 N 0.28 0.78 -0.84 1.55 3.38 -1.26 -1.85 115.31 117.36 3ii6 h LEU 678 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3ii6 h LEU 678 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3ii6 h LEU 678 CO -0.07 0.56 0.11 -0.33 0.09 0.00 0.00 178.44 178.79 3ii6 h GLU 679 N 0.93 0.98 -0.26 1.13 5.08 -0.15 -1.26 114.58 121.02 3ii6 h GLU 679 Ca 0.27 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3ii6 h GLU 679 Cb -0.06 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3ii6 h GLU 679 CO -0.08 0.89 0.01 -0.91 -1.00 0.00 0.00 179.01 177.93 3ii6 h ASN 680 N 0.92 0.45 -0.36 1.42 2.35 -0.65 -2.40 115.58 117.30 3ii6 h ASN 680 Ca 0.19 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3ii6 h ASN 680 Cb 0.39 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3ii6 h ASN 680 CO 0.01 0.63 0.04 0.03 -1.65 0.00 0.00 177.43 176.49 3ii6 h ARG 681 N 0.25 0.71 -0.39 0.81 2.47 -1.18 0.23 114.38 117.27 3ii6 h ARG 681 Ca 0.08 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3ii6 h ARG 681 Cb 0.39 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 3ii6 h ARG 681 CO 0.01 0.69 0.25 0.82 0.56 0.00 0.00 179.97 182.30 3ii6 h ILE 682 N 0.67 1.12 -0.53 2.04 2.04 -1.03 -1.77 117.51 120.04 3ii6 h ILE 682 Ca 0.14 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3ii6 h ILE 682 Cb 0.36 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3ii6 h ILE 682 CO 0.01 0.12 0.25 0.00 0.00 0.00 0.00 178.15 178.53 3ii6 h ALA 683 N 1.12 0.68 -0.23 1.87 0.00 -0.85 -1.01 119.26 120.84 3ii6 h ALA 683 Ca 0.14 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3ii6 h ALA 683 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ii6 h ALA 683 CO -0.03 -0.11 0.23 0.93 0.00 0.00 0.00 179.25 180.27 3ii6 h GLU 684 N 0.48 0.00 -0.28 0.00 5.08 -0.77 -1.36 114.58 117.73 3ii6 h GLU 684 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3ii6 h GLU 684 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3ii6 h GLU 684 CO -0.19 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.01 3ii6 n PHE 685 N -3.91 0.33 -0.40 4.33 3.01 -0.60 -0.48 117.46 119.73 3ii6 n PHE 685 Ca 0.03 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.33 3ii6 n PHE 685 Cb 0.37 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 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 0.81 0.74 3.97 1.37 0.00 -0.51 -0.62 105.19 110.94 3ii6 n GLY 686 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.63 1.80 0.11 -0.02 0.00 -0.49 -2.23 107.32 104.86 3ii6 s GLY 687 Ca 0.00 -1.27 0.08 0.00 0.00 0.00 0.00 44.72 43.53 3ii6 s GLY 687 CO 0.00 -0.97 -0.15 -0.19 0.00 0.00 0.00 173.10 171.79 3ii6 s TYR 688 N -2.81 2.61 0.05 1.90 1.51 -0.04 -4.12 117.35 116.45 3ii6 s TYR 688 Ca 0.57 -0.22 0.09 0.00 -1.01 0.00 0.00 57.07 56.50 3ii6 s TYR 688 Cb -0.10 -1.39 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3ii6 s TYR 688 CO 0.39 0.39 -0.24 0.42 -1.11 0.00 0.00 175.55 175.40 3ii6 s ILE 689 N -1.16 1.95 -0.07 2.71 1.01 -1.26 -1.68 121.20 122.71 3ii6 s ILE 689 Ca 0.19 -1.33 -0.03 0.00 0.00 0.00 0.00 60.65 59.47 3ii6 s ILE 689 Cb -0.11 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.72 3ii6 s ILE 689 CO 0.11 0.29 0.16 0.54 0.00 0.00 0.00 174.94 176.04 3ii6 s VAL 690 N -0.82 -0.04 0.11 2.92 0.11 -1.15 -4.95 120.40 116.59 3ii6 s VAL 690 Ca 0.10 0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.39 3ii6 s VAL 690 Cb -0.10 -0.26 -0.16 0.00 -1.53 0.00 0.00 36.38 34.34 3ii6 s VAL 690 CO 0.02 0.06 1.35 1.56 -3.33 0.00 0.00 175.10 174.76 3ii6 h GLN 691 N 7.06 0.00 -5.55 1.54 1.08 -1.97 -3.41 115.11 113.86 3ii6 h GLN 691 Ca -0.40 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.19 3ii6 h GLN 691 Cb 1.15 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.27 3ii6 h GLN 691 CO 0.42 0.90 -0.85 -0.80 -0.95 0.00 0.00 178.83 177.54 3ii6 s ASN 692 N -6.70 2.47 0.26 1.46 -0.87 -1.26 -4.92 114.94 105.37 3ii6 s ASN 692 Ca 0.01 -0.41 -0.30 0.00 -1.57 0.00 0.00 52.86 50.60 3ii6 s ASN 692 Cb 0.10 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.25 40.56 3ii6 s ASN 692 CO 0.80 0.19 1.42 -2.84 -2.57 0.00 0.00 177.10 174.10 3ii6 s PRO 693 N -0.04 4.28 0.00 -0.60 0.02 -1.26 -5.03 135.00 132.36 3ii6 s PRO 693 Ca -0.03 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3ii6 s PRO 693 Cb -0.12 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3ii6 s PRO 693 CO 0.03 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 3ii6 n GLY 694 N 2.00 5.58 0.00 0.52 0.00 -1.26 -5.01 105.19 107.03 3ii6 n GLY 694 Ca 0.06 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.70 3ii6 n GLY 694 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ii6 n PRO 695 N 0.00 0.44 0.00 1.61 -0.05 -1.26 -1.97 135.00 133.77 3ii6 n PRO 695 Ca 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 63.50 63.47 3ii6 n PRO 695 Cb 0.00 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 31.95 3ii6 n PRO 695 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3ii6 n ASP 696 N -1.03 1.02 -4.72 3.54 9.92 -1.26 -5.01 116.55 119.02 3ii6 n ASP 696 Ca 0.11 -1.29 -0.42 0.00 -0.53 0.00 0.00 54.79 52.66 3ii6 n ASP 696 Cb 0.06 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.51 3ii6 n ASP 696 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3ii6 s THR 697 N -0.29 3.61 0.02 -3.53 2.01 -0.83 -4.51 115.64 112.11 3ii6 s THR 697 Ca 0.00 1.16 -0.23 0.00 0.31 0.00 0.00 61.69 62.93 3ii6 s THR 697 Cb 0.00 -3.74 -0.17 0.00 0.01 0.00 0.00 72.50 68.60 3ii6 s THR 697 CO 0.00 0.09 1.35 0.22 -0.69 0.00 0.00 174.62 175.59 3ii6 h TYR 698 N 6.75 0.19 -3.91 4.92 3.20 0.26 -3.48 116.97 124.90 3ii6 h TYR 698 Ca -0.42 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.29 3ii6 h TYR 698 Cb 1.21 -0.04 -0.11 0.00 1.54 0.00 0.00 36.73 39.33 3ii6 h TYR 698 CO 0.66 0.56 -0.25 0.00 -1.64 0.00 0.00 178.16 177.49 3ii6 s VAL 700 N -4.02 3.05 -0.20 0.00 1.01 0.44 -1.29 120.40 119.39 3ii6 s VAL 700 Ca 0.27 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3ii6 s VAL 700 Cb 0.01 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 3ii6 s VAL 700 CO 0.10 0.58 -0.10 -0.63 0.00 0.00 0.00 175.10 175.06 3ii6 s ILE 701 N -0.74 2.96 -0.26 2.22 -1.09 0.25 -0.88 121.20 123.65 3ii6 s ILE 701 Ca 0.12 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 57.86 3ii6 s ILE 701 Cb -0.11 -2.31 0.09 0.00 -1.58 0.00 0.00 42.46 38.55 3ii6 s ILE 701 CO 0.01 0.47 0.11 0.00 -1.23 0.00 0.00 174.94 174.30 3ii6 s ALA 702 N 1.29 0.68 -1.21 9.38 0.00 -0.85 -0.15 121.76 130.90 3ii6 s ALA 702 Ca 0.04 -0.97 0.23 0.00 0.00 0.00 0.00 51.96 51.26 3ii6 s ALA 702 Cb -0.14 -1.33 0.16 0.00 0.00 0.00 0.00 23.12 21.81 3ii6 s ALA 702 CO -0.05 -1.53 1.18 0.41 0.00 0.00 0.00 175.76 175.76 3ii6 n GLY 703 N 5.21 -0.92 3.28 0.00 0.00 -0.99 -4.49 105.19 107.29 3ii6 n GLY 703 Ca -0.06 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 3ii6 n GLY 703 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ii6 s SER 704 N -2.88 -0.20 0.28 1.61 1.04 -1.26 -4.63 113.70 107.66 3ii6 s SER 704 Ca 0.12 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.18 3ii6 s SER 704 Cb 0.17 0.38 -0.11 0.00 0.10 0.00 0.00 66.02 66.56 3ii6 s SER 704 CO 0.74 -0.61 1.60 -1.61 0.98 0.00 0.00 173.24 174.33 3ii6 s GLU 705 N -2.34 4.13 0.39 4.02 8.01 -1.26 -4.85 118.70 126.80 3ii6 s GLU 705 Ca -0.06 2.57 -0.14 0.00 0.01 0.00 0.00 54.97 57.35 3ii6 s GLU 705 Cb -0.01 -3.03 0.06 0.00 -4.31 0.00 0.00 34.13 26.83 3ii6 s GLU 705 CO -0.02 -0.63 0.77 0.27 0.01 0.00 0.00 175.26 175.66 3ii6 n ASN 706 N 2.33 -2.23 0.04 -0.19 2.04 -1.26 -5.03 115.26 110.95 3ii6 n ASN 706 Ca 0.09 -2.60 -0.12 0.00 -0.44 0.00 0.00 54.58 51.50 3ii6 n ASN 706 Cb 0.37 3.73 -0.01 0.00 -2.53 0.00 0.00 39.78 41.35 3ii6 n ASN 706 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 3ii6 h ILE 707 N 1.99 1.36 -0.72 1.53 2.10 -1.98 0.62 117.51 122.40 3ii6 h ILE 707 Ca -0.33 -2.15 0.02 0.00 1.08 0.00 0.00 64.86 63.48 3ii6 h ILE 707 Cb 1.23 2.13 -0.04 0.00 -1.09 0.00 0.00 36.82 39.05 3ii6 h ILE 707 CO 0.42 0.65 0.46 0.03 -1.08 0.00 0.00 178.15 178.63 3ii6 h ARG 708 N 0.33 0.88 0.20 2.19 3.08 -1.96 0.30 114.38 119.40 3ii6 h ARG 708 Ca -0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ii6 h ARG 708 Cb 1.38 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3ii6 h ARG 708 CO 0.14 0.58 -0.10 0.28 -1.07 0.00 0.00 179.97 179.81 3ii6 h VAL 709 N 0.91 0.90 -1.01 2.04 2.07 -1.71 -0.29 116.25 119.15 3ii6 h VAL 709 Ca 0.28 -0.59 0.24 0.00 0.82 0.00 0.00 66.70 67.45 3ii6 h VAL 709 Cb -0.02 1.24 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 3ii6 h VAL 709 CO -0.10 0.13 0.62 0.11 0.02 0.00 0.00 177.57 178.36 3ii6 h LYS 710 N -0.56 0.54 0.00 1.57 1.79 -0.51 0.14 116.57 119.54 3ii6 h LYS 710 Ca -0.03 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.32 3ii6 h LYS 710 Cb 0.42 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3ii6 h LYS 710 CO 0.04 0.36 -0.98 -0.97 -1.08 0.00 0.00 179.45 176.82 3ii6 h ASN 711 N 0.56 0.00 0.49 0.86 -1.24 -0.02 -2.95 115.58 113.28 3ii6 h ASN 711 Ca 0.61 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.55 3ii6 h ASN 711 Cb 1.25 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 3ii6 h ASN 711 CO -0.40 0.32 -0.35 -0.29 -1.29 0.00 0.00 177.43 175.43 3ii6 h ILE 712 N 0.00 1.08 0.00 2.57 6.09 0.60 -2.17 117.51 125.68 3ii6 h ILE 712 Ca -0.07 -1.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.16 3ii6 h ILE 712 Cb 1.31 1.71 0.00 0.00 0.47 0.00 0.00 36.82 40.31 3ii6 h ILE 712 CO 0.03 0.34 0.00 -0.38 -3.07 0.00 0.00 178.15 175.07 3ii6 n ILE 713 N -3.88 0.00 0.00 2.19 5.41 0.33 -3.35 119.36 120.06 3ii6 n ILE 713 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3ii6 n ILE 713 Cb 0.41 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 3ii6 n ILE 713 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3ii6 n LEU 714 N -0.86 0.32 -4.55 1.39 0.00 -0.86 -4.05 117.00 108.40 3ii6 n LEU 714 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.69 3ii6 n LEU 714 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.43 3ii6 n LEU 714 CO 0.08 0.05 0.77 -0.94 0.00 0.00 0.00 177.39 177.36 3ii6 s SER 715 N -2.22 6.43 -0.24 1.96 1.04 -0.95 -4.88 113.70 114.83 3ii6 s SER 715 Ca 0.00 -0.08 -0.24 0.00 0.48 0.00 0.00 55.95 56.10 3ii6 s SER 715 Cb 0.00 -2.45 -0.27 0.00 0.10 0.00 0.00 66.02 63.40 3ii6 s SER 715 CO 0.00 -1.16 1.64 0.59 0.98 0.00 0.00 173.24 175.29 3ii6 n ASN 716 N 7.39 1.47 -0.09 7.02 3.02 -1.26 -4.18 115.26 128.63 3ii6 n ASN 716 Ca 0.04 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.00 3ii6 n ASN 716 Cb 0.48 -0.69 -0.14 0.00 -0.61 0.00 0.00 39.78 38.83 3ii6 n ASN 716 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ii6 n LYS 717 N 7.26 0.97 -4.61 3.52 4.76 -1.26 -4.65 118.16 124.15 3ii6 n LYS 717 Ca 0.43 0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.59 3ii6 n LYS 717 Cb 0.36 -1.46 -0.14 0.00 -1.84 0.00 0.00 35.03 31.95 3ii6 n LYS 717 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3ii6 s HIS 718 N -2.44 2.30 0.28 2.13 3.76 -1.26 -4.85 115.29 115.20 3ii6 s HIS 718 Ca -0.13 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.09 3ii6 s HIS 718 Cb 0.06 -1.30 -0.09 0.00 1.11 0.00 0.00 32.58 32.35 3ii6 s HIS 718 CO 0.71 0.24 1.16 -0.51 -0.85 0.00 0.00 174.74 175.49 3ii6 s ASP 719 N -1.70 7.14 -0.04 1.40 1.01 -1.26 -4.21 116.67 119.01 3ii6 s ASP 719 Ca 0.13 2.35 0.07 0.00 0.71 0.00 0.00 52.55 55.80 3ii6 s ASP 719 Cb -0.10 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 3ii6 s ASP 719 CO 0.04 -0.25 -0.25 -0.69 0.21 0.00 0.00 175.17 174.23 3ii6 s VAL 720 N -0.99 2.01 -0.03 -1.27 1.01 -0.09 -0.42 120.40 120.61 3ii6 s VAL 720 Ca 0.47 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3ii6 s VAL 720 Cb -0.34 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3ii6 s VAL 720 CO 0.43 0.56 0.09 -0.69 0.00 0.00 0.00 175.10 175.49 3ii6 s VAL 721 N -0.37 -0.01 0.39 2.92 1.01 -0.06 -1.54 120.40 122.75 3ii6 s VAL 721 Ca 0.03 0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3ii6 s VAL 721 Cb -0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 36.38 36.03 3ii6 s VAL 721 CO 0.01 0.01 1.41 -0.54 0.00 0.00 0.00 175.10 175.99 3ii6 s LYS 722 N 0.21 4.04 0.55 2.72 1.02 0.05 -2.01 119.74 126.31 3ii6 s LYS 722 Ca -0.01 2.40 0.36 0.00 0.02 0.00 0.00 55.97 58.74 3ii6 s LYS 722 Cb -0.02 -2.88 1.53 0.00 -0.52 0.00 0.00 37.83 35.93 3ii6 s LYS 722 CO -0.01 -0.53 1.79 -1.00 -0.92 0.00 0.00 175.35 174.69 3ii6 h PRO 723 N 2.87 0.00 -0.06 -1.68 0.13 -1.89 0.48 132.00 131.85 3ii6 h PRO 723 Ca -0.50 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 3ii6 h PRO 723 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3ii6 h PRO 723 CO 0.63 0.00 -0.56 0.00 -0.23 0.00 0.00 178.00 177.84 3ii6 h ALA 724 N 1.38 0.95 -0.83 -0.56 0.00 -1.94 -1.10 119.26 117.16 3ii6 h ALA 724 Ca 0.53 -0.51 0.17 0.00 0.00 0.00 0.00 54.91 55.10 3ii6 h ALA 724 Cb 2.21 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.80 3ii6 h ALA 724 CO -0.01 0.70 0.36 2.35 0.00 0.00 0.00 179.25 182.66 3ii6 h TRP 725 N 0.13 0.62 -0.26 0.00 7.01 -0.36 -1.68 115.95 121.41 3ii6 h TRP 725 Ca -0.00 0.04 -0.18 0.00 2.11 0.00 0.00 58.89 60.86 3ii6 h TRP 725 Cb 1.03 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.95 3ii6 h TRP 725 CO 0.01 0.05 -0.55 -0.07 -2.79 0.00 0.00 178.44 175.10 3ii6 h LEU 726 N 0.47 0.92 -1.19 0.65 3.38 -1.35 -1.83 115.31 116.36 3ii6 h LEU 726 Ca 0.48 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3ii6 h LEU 726 Cb 0.80 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3ii6 h LEU 726 CO -0.45 1.30 -0.38 -0.07 0.09 0.00 0.00 178.44 178.93 3ii6 h LEU 727 N 0.58 0.00 -0.48 1.67 3.38 -0.61 -0.73 115.31 119.12 3ii6 h LEU 727 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3ii6 h LEU 727 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3ii6 h LEU 727 CO 0.12 0.38 -0.66 -0.08 0.09 0.00 0.00 178.44 178.30 3ii6 h GLU 728 N 0.00 0.42 -0.27 1.13 4.81 -1.00 -2.07 114.58 117.59 3ii6 h GLU 728 Ca -0.00 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 3ii6 h GLU 728 Cb 0.74 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3ii6 h GLU 728 CO 0.05 0.93 -0.23 0.00 -0.73 0.00 0.00 179.01 179.03 3ii6 h PHE 730 N 0.46 0.22 -0.06 0.00 0.05 -1.09 -1.47 116.94 115.05 3ii6 h PHE 730 Ca 0.07 -0.12 -0.02 0.00 3.82 0.00 0.00 57.97 61.73 3ii6 h PHE 730 Cb 0.66 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.58 3ii6 h PHE 730 CO 0.02 0.91 -0.03 1.57 -0.18 0.00 0.00 178.31 180.60 3ii6 h LYS 731 N -0.53 0.12 -0.94 1.51 2.10 -1.38 -2.85 116.57 114.60 3ii6 h LYS 731 Ca -0.03 -0.05 0.38 0.00 -2.00 0.00 0.00 60.65 58.95 3ii6 h LYS 731 Cb 0.97 -0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.14 3ii6 h LYS 731 CO 0.04 0.51 0.52 2.41 -2.00 0.00 0.00 179.45 180.93 3ii6 n THR 732 N -4.79 -0.35 -3.62 0.07 -1.04 -0.12 -4.90 114.28 99.53 3ii6 n THR 732 Ca -0.07 1.78 -0.21 0.00 -2.04 0.00 0.00 64.05 63.51 3ii6 n THR 732 Cb 0.25 -2.90 0.06 0.00 -1.82 0.00 0.00 70.33 65.91 3ii6 n THR 732 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3ii6 n LYS 733 N -4.94 -5.81 -3.60 -2.82 5.02 -0.57 -5.01 118.16 100.43 3ii6 n LYS 733 Ca 0.34 0.71 -0.16 0.00 -2.02 0.00 0.00 58.31 57.19 3ii6 n LYS 733 Cb 1.19 -5.50 -0.07 0.00 -0.02 0.00 0.00 35.03 30.63 3ii6 n LYS 733 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3ii6 s SER 734 N -4.17 -0.66 -1.27 4.39 0.15 -1.14 -4.97 113.70 106.04 3ii6 s SER 734 Ca 0.12 1.02 -0.19 0.00 0.70 0.00 0.00 55.95 57.60 3ii6 s SER 734 Cb -0.06 0.97 0.03 0.00 -1.71 0.00 0.00 66.02 65.25 3ii6 s SER 734 CO 0.78 -0.40 1.80 0.33 1.20 0.00 0.00 173.24 176.94 3ii6 n PHE 735 N 1.88 4.17 -1.68 3.44 -0.00 -1.26 -4.35 117.46 119.65 3ii6 n PHE 735 Ca -0.16 -2.51 -0.44 0.00 -0.00 0.00 0.00 57.45 54.33 3ii6 n PHE 735 Cb 0.56 -2.63 -0.04 0.00 -0.00 0.00 0.00 39.48 37.38 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 6.69 0.37 -1.81 -2.13 0.31 -1.26 -4.97 118.33 115.53 3ii6 n VAL 736 Ca 0.48 -0.07 -0.41 0.00 -0.01 0.00 0.00 64.34 64.33 3ii6 n VAL 736 Cb 0.46 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.37 3ii6 n VAL 736 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3ii6 s PRO 737 N 2.80 4.14 0.82 5.55 0.02 -1.26 -4.98 135.00 142.09 3ii6 s PRO 737 Ca 0.84 2.54 -0.12 0.00 0.02 0.00 0.00 61.00 64.28 3ii6 s PRO 737 Cb -0.55 -3.02 0.09 0.00 0.02 0.00 0.00 34.50 31.04 3ii6 s PRO 737 CO 0.40 -0.58 1.17 -1.58 -0.33 0.00 0.00 177.00 176.08 3ii6 s TRP 738 N -0.26 1.89 -0.14 6.54 0.51 -1.26 -5.04 118.94 121.18 3ii6 s TRP 738 Ca 0.60 1.69 -0.13 0.00 -2.12 0.00 0.00 56.10 56.14 3ii6 s TRP 738 Cb -0.47 -3.38 0.04 0.00 -0.81 0.00 0.00 33.47 28.85 3ii6 s TRP 738 CO 0.51 -2.65 0.37 -0.65 -0.51 0.00 0.00 176.95 174.02 3ii6 s GLN 739 N -4.35 0.44 0.25 4.98 -0.21 -1.26 -5.06 119.66 114.46 3ii6 s GLN 739 Ca 0.70 0.50 -0.09 0.00 0.02 0.00 0.00 55.36 56.49 3ii6 s GLN 739 Cb -0.25 0.22 0.39 0.00 1.00 0.00 0.00 33.01 34.37 3ii6 s GLN 739 CO 0.52 -0.06 1.59 -1.35 -2.12 0.00 0.00 175.29 173.88 3ii6 h PRO 740 N 5.51 0.01 -1.04 2.91 0.11 -1.95 0.49 132.00 138.04 3ii6 h PRO 740 Ca -0.27 -0.00 0.30 0.00 0.11 0.00 0.00 66.00 66.14 3ii6 h PRO 740 Cb 1.18 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3ii6 h PRO 740 CO 0.27 0.01 0.89 -2.13 -0.21 0.00 0.00 178.00 176.83 3ii6 n ARG 741 N -5.52 0.00 -0.01 1.05 0.63 -1.26 -0.81 116.66 110.75 3ii6 n ARG 741 Ca 0.13 0.70 0.10 0.00 -0.92 0.00 0.00 57.85 57.86 3ii6 n ARG 741 Cb 0.45 -1.66 -0.14 0.00 0.45 0.00 0.00 32.46 31.56 3ii6 n ARG 741 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3ii6 n PHE 742 N -2.97 0.00 -3.19 -0.14 0.99 0.17 -4.95 117.46 107.38 3ii6 n PHE 742 Ca 0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.26 3ii6 n PHE 742 Cb 1.20 -0.30 -0.07 0.00 -1.00 0.00 0.00 39.48 39.31 3ii6 n PHE 742 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 3ii6 s MET 743 N -3.21 3.47 0.05 -1.08 -1.94 0.01 -0.77 119.30 115.82 3ii6 s MET 743 Ca -0.02 -0.25 -0.18 0.00 -1.71 0.00 0.00 55.69 53.52 3ii6 s MET 743 Cb 0.14 -3.87 -0.14 0.00 2.01 0.00 0.00 34.83 32.96 3ii6 s MET 743 CO 0.83 -0.79 1.31 0.82 -0.01 0.00 0.00 175.02 177.18 3ii6 h ILE 744 N 5.72 1.35 -2.57 2.53 2.04 -1.59 -3.47 117.51 121.53 3ii6 h ILE 744 Ca -0.27 -1.55 -0.09 0.00 1.00 0.00 0.00 64.86 63.95 3ii6 h ILE 744 Cb 1.11 1.95 -0.20 0.00 -0.74 0.00 0.00 36.82 38.94 3ii6 h ILE 744 CO 0.82 0.47 -0.07 -2.28 0.00 0.00 0.00 178.15 177.09 3ii6 s HIS 745 N -4.05 -0.40 -0.04 1.37 5.04 -0.86 -4.94 115.29 111.40 3ii6 s HIS 745 Ca -0.13 0.69 0.07 0.00 -1.54 0.00 0.00 55.06 54.15 3ii6 s HIS 745 Cb 0.06 0.23 -0.01 0.00 0.04 0.00 0.00 32.58 32.90 3ii6 s HIS 745 CO 0.80 -0.47 -0.25 -1.64 -2.34 0.00 0.00 174.74 170.83 3ii6 s MET 746 N -1.17 2.37 0.80 2.88 -1.94 -1.26 -0.91 119.30 120.06 3ii6 s MET 746 Ca -0.12 -0.91 -0.12 0.00 -1.71 0.00 0.00 55.69 52.84 3ii6 s MET 746 Cb -0.03 -2.10 0.07 0.00 2.01 0.00 0.00 34.83 34.78 3ii6 s MET 746 CO 0.06 0.45 1.10 0.00 -0.01 0.00 0.00 175.02 176.63 3ii6 h PRO 748 N -1.10 0.08 0.06 0.00 0.11 -1.94 0.30 132.00 129.52 3ii6 h PRO 748 Ca -0.47 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.32 3ii6 h PRO 748 Cb 1.28 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3ii6 h PRO 748 CO 0.60 0.05 -1.70 0.66 -0.21 0.00 0.00 178.00 177.41 3ii6 h SER 749 N 0.08 0.20 -0.23 -2.05 4.64 -1.97 -1.15 113.55 113.07 3ii6 h SER 749 Ca 0.54 -0.38 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3ii6 h SER 749 Cb 1.08 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3ii6 h SER 749 CO -0.79 1.33 0.14 0.74 -0.87 0.00 0.00 176.83 177.39 3ii6 h THR 750 N 0.04 1.08 -0.47 2.95 2.02 -1.80 -1.27 112.91 115.45 3ii6 h THR 750 Ca -0.29 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 66.78 3ii6 h THR 750 Cb 2.01 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 69.14 3ii6 h THR 750 CO 0.10 0.08 0.13 0.50 0.37 0.00 0.00 175.52 176.70 3ii6 h LYS 751 N 0.29 0.28 -0.44 6.66 3.64 -0.43 0.10 116.57 126.68 3ii6 h LYS 751 Ca 0.08 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3ii6 h LYS 751 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3ii6 h LYS 751 CO -0.02 0.18 -0.09 1.49 -2.27 0.00 0.00 179.45 178.75 3ii6 h GLU 752 N 0.29 0.83 0.00 1.90 4.81 -1.21 0.14 114.58 121.34 3ii6 h GLU 752 Ca 0.23 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3ii6 h GLU 752 Cb 0.27 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3ii6 h GLU 752 CO -0.27 0.94 0.00 1.58 -0.73 0.00 0.00 179.01 180.53 3ii6 n HIS 753 N -4.30 0.00 -0.33 0.92 -0.00 -0.48 -2.88 115.22 108.15 3ii6 n HIS 753 Ca -0.01 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.29 3ii6 n HIS 753 Cb 0.37 -0.45 0.23 0.00 -0.12 0.00 0.00 29.99 30.02 3ii6 n HIS 753 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3ii6 n PHE 754 N -2.15 0.52 0.64 1.57 3.01 -0.03 -2.15 117.46 118.87 3ii6 n PHE 754 Ca 0.00 1.13 0.07 0.00 1.01 0.00 0.00 57.45 59.66 3ii6 n PHE 754 Cb 0.00 -1.15 0.35 0.00 -0.01 0.00 0.00 39.48 38.66 3ii6 n PHE 754 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ii6 n ALA 755 N -3.33 1.78 0.37 4.37 0.00 0.48 -0.32 120.51 123.86 3ii6 n ALA 755 Ca 0.20 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.69 3ii6 n ALA 755 Cb 0.64 -1.23 0.16 0.00 0.00 0.00 0.00 19.45 19.02 3ii6 n ALA 755 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3ii6 h ARG 756 N 0.00 0.00 0.00 0.00 0.11 -1.29 -3.38 114.38 109.82 3ii6 h ARG 756 Ca 0.00 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.80 3ii6 h ARG 756 Cb 0.15 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.18 3ii6 h ARG 756 CO 0.00 0.00 -2.06 0.39 0.10 0.00 0.00 179.97 178.40 3ii6 n GLU 757 N -2.51 0.56 -3.82 0.08 1.02 -0.38 -4.95 120.64 110.64 3ii6 n GLU 757 Ca 0.03 0.10 -0.22 0.00 -0.02 0.00 0.00 57.16 57.04 3ii6 n GLU 757 Cb 0.49 -1.37 -0.05 0.00 -0.02 0.00 0.00 31.44 30.49 3ii6 n GLU 757 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ii6 s TYR 758 N -2.37 2.70 0.61 -0.32 1.51 0.56 -1.93 117.35 118.11 3ii6 s TYR 758 Ca -0.24 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 3ii6 s TYR 758 Cb 0.06 -2.01 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 3ii6 s TYR 758 CO 0.44 0.06 0.85 0.34 -1.11 0.00 0.00 175.55 176.13 3ii6 s ASP 759 N -4.02 4.93 0.17 2.29 3.68 -0.78 -4.31 116.67 118.64 3ii6 s ASP 759 Ca 0.44 -0.27 0.25 0.00 2.13 0.00 0.00 52.55 55.11 3ii6 s ASP 759 Cb -0.01 -0.40 0.65 0.00 -1.45 0.00 0.00 42.92 41.70 3ii6 s ASP 759 CO 0.26 -1.41 1.61 0.00 0.13 0.00 0.00 175.17 175.75 3ii6 s TYR 761 N -3.12 3.26 -1.16 0.00 2.02 -1.26 -4.97 117.35 112.13 3ii6 s TYR 761 Ca 0.09 0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 57.01 3ii6 s TYR 761 Cb 0.13 -2.26 0.23 0.00 -0.40 0.00 0.00 41.96 39.67 3ii6 s TYR 761 CO 0.64 -0.29 2.06 0.41 -1.57 0.00 0.00 175.55 176.80 3ii6 n GLY 762 N -2.04 5.72 3.65 0.71 0.00 -1.26 -4.88 105.19 107.09 3ii6 n GLY 762 Ca 0.01 -2.35 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 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 -0.59 6.79 0.20 1.61 2.15 -1.26 -4.74 116.67 120.83 3ii6 s ASP 763 Ca 0.45 0.98 -0.32 0.00 0.43 0.00 0.00 52.55 54.09 3ii6 s ASP 763 Cb 0.18 -2.41 -0.12 0.00 -0.30 0.00 0.00 42.92 40.28 3ii6 s ASP 763 CO -0.11 -0.43 1.71 -0.55 -0.17 0.00 0.00 175.17 175.62 3ii6 s SER 764 N 1.30 6.40 0.31 -0.34 0.15 -1.26 -1.86 113.70 118.40 3ii6 s SER 764 Ca 0.33 2.84 0.03 0.00 0.70 0.00 0.00 55.95 59.85 3ii6 s SER 764 Cb -0.16 -2.60 0.62 0.00 -1.71 0.00 0.00 66.02 62.18 3ii6 s SER 764 CO 0.09 -0.96 1.87 1.88 1.20 0.00 0.00 173.24 177.32 3ii6 h TYR 765 N 6.87 1.03 0.00 3.44 0.99 -1.70 -3.39 116.97 124.21 3ii6 h TYR 765 Ca -0.43 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.33 3ii6 h TYR 765 Cb 1.20 -0.33 0.00 0.00 1.00 0.00 0.00 36.73 38.60 3ii6 h TYR 765 CO 0.65 0.43 -0.48 1.19 -0.00 0.00 0.00 178.16 179.95 3ii6 n PHE 766 N -4.57 0.00 -4.38 4.88 3.01 -1.26 -4.96 117.46 110.18 3ii6 n PHE 766 Ca 0.17 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.33 3ii6 n PHE 766 Cb 0.35 -0.03 -0.17 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.64 1.65 0.57 4.37 1.01 -1.26 -5.10 121.20 120.80 3ii6 s ILE 767 Ca 0.01 -0.72 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3ii6 s ILE 767 Cb 0.03 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3ii6 s ILE 767 CO 0.16 0.47 1.31 -1.81 0.00 0.00 0.00 174.94 175.07 3ii6 s ASP 768 N 1.09 5.18 0.97 3.58 -0.00 -1.26 -4.64 116.67 121.59 3ii6 s ASP 768 Ca -0.03 2.65 -0.16 0.00 -0.00 0.00 0.00 52.55 55.00 3ii6 s ASP 768 Cb -0.14 -2.62 0.21 0.00 -0.00 0.00 0.00 42.92 40.36 3ii6 s ASP 768 CO -0.04 -1.62 1.33 0.28 -0.00 0.00 0.00 175.17 175.12 3ii6 s THR 769 N -1.38 2.00 0.00 -1.27 -1.32 -1.26 -5.07 115.64 107.34 3ii6 s THR 769 Ca 0.74 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.22 3ii6 s THR 769 Cb -0.37 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.62 3ii6 s THR 769 CO 0.43 0.00 0.00 -0.90 -2.21 0.00 0.00 174.62 171.94 3ii6 n ASP 770 N -3.80 0.00 0.04 8.08 3.85 -1.26 -5.01 116.55 118.45 3ii6 n ASP 770 Ca 0.16 -0.58 -0.20 0.00 -0.71 0.00 0.00 54.79 53.46 3ii6 n ASP 770 Cb 0.59 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 40.24 3ii6 n ASP 770 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3ii6 h LEU 771 N 0.00 0.67 0.65 -2.12 5.85 -1.99 -1.08 115.31 117.28 3ii6 h LEU 771 Ca 0.00 -0.80 -0.03 0.00 0.84 0.00 0.00 57.88 57.89 3ii6 h LEU 771 Cb 0.00 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 3ii6 h LEU 771 CO 0.00 1.40 -0.41 -1.13 -0.34 0.00 0.00 178.44 177.96 3ii6 h ASN 772 N 0.02 -1.03 -0.84 1.25 -0.73 -1.99 0.12 115.58 112.38 3ii6 h ASN 772 Ca -0.12 0.06 0.19 0.00 1.87 0.00 0.00 56.30 58.29 3ii6 h ASN 772 Cb 1.58 0.30 -0.11 0.00 0.27 0.00 0.00 38.32 40.36 3ii6 h ASN 772 CO 0.17 -0.62 0.35 1.56 -0.37 0.00 0.00 177.43 178.52 3ii6 h GLN 773 N -0.99 0.40 -0.03 6.67 4.20 -1.97 -0.51 115.11 122.87 3ii6 h GLN 773 Ca -0.09 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.36 3ii6 h GLN 773 Cb 0.80 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 28.50 3ii6 h GLN 773 CO 0.08 0.27 -0.92 1.25 -0.67 0.00 0.00 178.83 178.84 3ii6 h LEU 774 N 0.41 0.87 -0.82 1.46 6.46 -0.71 -1.89 115.31 121.10 3ii6 h LEU 774 Ca 0.50 -0.72 0.20 0.00 -0.12 0.00 0.00 57.88 57.75 3ii6 h LEU 774 Cb 0.88 -0.26 -0.14 0.00 -0.73 0.00 0.00 40.66 40.41 3ii6 h LEU 774 CO -0.49 1.47 0.10 0.11 -0.62 0.00 0.00 178.44 179.01 3ii6 h LYS 775 N 0.36 0.14 0.15 1.25 1.57 -0.67 0.52 116.57 119.89 3ii6 h LYS 775 Ca -0.11 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3ii6 h LYS 775 Cb 1.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.86 3ii6 h LYS 775 CO 0.18 0.09 -0.07 1.49 -0.57 0.00 0.00 179.45 180.57 3ii6 h GLU 776 N 0.15 -0.19 -0.68 3.15 4.57 -0.76 0.10 114.58 120.92 3ii6 h GLU 776 Ca 0.48 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.82 3ii6 h GLU 776 Cb 0.90 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.43 3ii6 h GLU 776 CO -0.67 0.09 0.06 0.28 -1.18 0.00 0.00 179.01 177.59 3ii6 h VAL 777 N -0.48 0.47 -0.54 0.32 2.07 -0.94 -2.68 116.25 114.48 3ii6 h VAL 777 Ca -0.02 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3ii6 h VAL 777 Cb 0.37 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3ii6 h VAL 777 CO 0.03 0.03 0.25 -0.26 0.02 0.00 0.00 177.57 177.64 3ii6 h PHE 778 N 0.17 0.79 -0.77 1.57 -1.00 0.70 -1.82 116.94 116.59 3ii6 h PHE 778 Ca 0.37 -0.04 0.22 0.00 2.81 0.00 0.00 57.97 61.33 3ii6 h PHE 778 Cb 0.62 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 3ii6 h PHE 778 CO -0.34 0.62 0.57 0.66 -1.61 0.00 0.00 178.31 178.21 3ii6 h SER 779 N 0.73 0.00 0.22 2.17 4.64 -0.54 -2.47 113.55 118.30 3ii6 h SER 779 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3ii6 h SER 779 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3ii6 h SER 779 CO -0.02 0.00 -0.52 0.61 -0.87 0.00 0.00 176.83 176.03 3ii6 n GLY 780 N -1.68 -0.75 3.63 -0.77 0.00 -0.70 -4.78 105.19 100.14 3ii6 n GLY 780 Ca 0.15 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3ii6 n GLY 780 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ii6 s ILE 781 N -2.74 4.65 0.29 -0.61 1.01 -0.93 -5.03 121.20 117.84 3ii6 s ILE 781 Ca 0.16 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 3ii6 s ILE 781 Cb 0.18 -4.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.26 3ii6 s ILE 781 CO 0.65 -0.34 1.47 -1.59 0.00 0.00 0.00 174.94 175.13 3ii6 s LYS 782 N 3.30 4.21 0.28 2.79 -2.85 -1.26 -4.98 119.74 121.23 3ii6 s LYS 782 Ca 0.40 2.41 -0.28 0.00 -1.00 0.00 0.00 55.97 57.49 3ii6 s LYS 782 Cb -0.13 -3.06 -0.14 0.00 -2.06 0.00 0.00 37.83 32.43 3ii6 s LYS 782 CO 0.13 -0.47 0.98 0.09 0.10 0.00 0.00 175.35 176.18 3ii6 n ASN 783 N 1.81 1.09 -3.76 0.03 3.02 -1.26 -5.02 115.26 111.17 3ii6 n ASN 783 Ca 0.05 1.17 -0.10 0.00 -0.03 0.00 0.00 54.58 55.68 3ii6 n ASN 783 Cb 0.39 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.26 3ii6 n ASN 783 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ii6 s SER 784 N -0.56 -0.14 -0.34 6.41 1.04 -1.26 -5.11 113.70 113.73 3ii6 s SER 784 Ca 0.60 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.66 3ii6 s SER 784 Cb -0.73 0.48 0.45 0.00 0.10 0.00 0.00 66.02 66.32 3ii6 s SER 784 CO 0.59 -0.90 0.96 -3.20 0.98 0.00 0.00 173.24 171.67 3ii6 n ASN 785 N -0.24 1.93 -0.42 7.02 5.15 -1.26 -4.84 115.26 122.60 3ii6 n ASN 785 Ca -0.12 -2.89 0.11 0.00 -0.60 0.00 0.00 54.58 51.07 3ii6 n ASN 785 Cb 0.63 -0.53 0.44 0.00 -0.53 0.00 0.00 39.78 39.80 3ii6 n ASN 785 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ii6 n GLU 786 N -0.11 1.55 -4.30 1.20 4.71 -1.26 -4.86 120.64 117.58 3ii6 n GLU 786 Ca 0.15 -0.83 -0.29 0.00 -0.01 0.00 0.00 57.16 56.18 3ii6 n GLU 786 Cb 0.78 -1.39 -0.17 0.00 -1.01 0.00 0.00 31.44 29.66 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 -1.86 2.26 0.43 3.49 1.11 -1.26 -5.10 119.66 118.73 3ii6 s GLN 787 Ca 0.32 -0.56 -0.26 0.00 0.01 0.00 0.00 55.36 54.87 3ii6 s GLN 787 Cb 0.17 -1.98 -0.09 0.00 -1.01 0.00 0.00 33.01 30.10 3ii6 s GLN 787 CO 0.26 -0.13 1.40 0.99 0.01 0.00 0.00 175.29 177.83 3ii6 s THR 788 N 1.17 2.21 0.48 -0.19 2.01 -1.26 -4.90 115.64 115.17 3ii6 s THR 788 Ca -0.02 0.19 0.34 0.00 0.31 0.00 0.00 61.69 62.51 3ii6 s THR 788 Cb -0.14 -3.11 0.54 0.00 0.01 0.00 0.00 72.50 69.80 3ii6 s THR 788 CO -0.05 0.03 1.68 -0.65 -0.69 0.00 0.00 174.62 174.94 3ii6 h PRO 789 N 2.52 0.09 -0.16 4.92 0.11 -1.99 0.14 132.00 137.63 3ii6 h PRO 789 Ca -0.51 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 3ii6 h PRO 789 Cb 1.26 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3ii6 h PRO 789 CO 0.62 0.06 -0.53 0.93 -0.21 0.00 0.00 178.00 178.87 3ii6 h GLU 790 N 0.10 0.65 -0.26 1.05 3.07 -1.99 0.82 114.58 118.02 3ii6 h GLU 790 Ca 0.75 -0.48 -0.14 0.00 -0.50 0.00 0.00 59.36 58.99 3ii6 h GLU 790 Cb 2.59 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 30.58 3ii6 h GLU 790 CO -0.22 1.10 -0.38 0.93 -1.40 0.00 0.00 179.01 179.05 3ii6 h GLU 791 N 0.33 0.71 -0.04 2.33 5.08 -1.62 -2.83 114.58 118.53 3ii6 h GLU 791 Ca -0.02 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 57.83 3ii6 h GLU 791 Cb 1.16 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3ii6 h GLU 791 CO 0.11 1.04 -0.39 0.52 -1.00 0.00 0.00 179.01 179.29 3ii6 h MET 792 N 0.44 0.09 0.00 2.33 2.86 -0.67 -1.37 114.93 118.61 3ii6 h MET 792 Ca 0.03 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 3ii6 h MET 792 Cb 0.97 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3ii6 h MET 792 CO 0.09 0.47 -0.51 0.00 1.06 0.00 0.00 176.91 178.02 3ii6 h ALA 793 N 1.53 1.01 0.05 6.32 0.00 -0.65 -2.49 119.26 125.04 3ii6 h ALA 793 Ca 0.01 -0.46 -0.29 0.00 0.00 0.00 0.00 54.91 54.16 3ii6 h ALA 793 Cb 0.73 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3ii6 h ALA 793 CO 0.05 0.63 -1.58 0.66 0.00 0.00 0.00 179.25 179.02 3ii6 h SER 794 N 0.00 0.17 -0.52 0.00 4.64 -1.05 -1.59 113.55 115.21 3ii6 h SER 794 Ca -0.01 -0.29 0.09 0.00 -0.47 0.00 0.00 61.79 61.11 3ii6 h SER 794 Cb 0.99 -0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 62.92 3ii6 h SER 794 CO 0.07 1.25 -0.40 -0.07 -0.87 0.00 0.00 176.83 176.80 3ii6 h LEU 795 N 0.03 -1.37 -0.20 5.97 3.38 -1.34 0.11 115.31 121.89 3ii6 h LEU 795 Ca -0.25 0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ii6 h LEU 795 Cb 1.98 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 43.31 3ii6 h LEU 795 CO 0.11 -0.34 -0.11 0.40 0.09 0.00 0.00 178.44 178.59 3ii6 h ILE 796 N -0.24 0.66 -0.37 1.22 2.04 -1.51 -0.69 117.51 118.61 3ii6 h ILE 796 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 3ii6 h ILE 796 Cb 0.56 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ii6 h ILE 796 CO -0.64 0.00 0.21 0.00 0.00 0.00 0.00 178.15 177.72 3ii6 h ALA 797 N 1.06 0.47 -0.67 1.87 0.00 -1.11 0.51 119.26 121.40 3ii6 h ALA 797 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ii6 h ALA 797 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ii6 h ALA 797 CO -0.26 -0.01 0.29 -0.44 0.00 0.00 0.00 179.25 178.82 3ii6 h ASP 798 N 0.48 0.88 -0.12 0.00 5.19 -0.79 -2.66 116.42 119.41 3ii6 h ASP 798 Ca 0.13 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 3ii6 h ASP 798 Cb 0.03 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.31 3ii6 h ASP 798 CO -0.02 0.77 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.75 3ii6 h LEU 799 N 0.96 0.25 -2.01 1.55 3.38 0.71 0.25 115.31 120.40 3ii6 h LEU 799 Ca 0.23 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ii6 h LEU 799 Cb 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ii6 h LEU 799 CO -0.02 0.60 0.00 -0.33 0.09 0.00 0.00 178.44 178.78 3ii6 h GLU 800 N -0.11 0.00 0.00 1.13 5.08 -0.11 0.86 114.58 121.42 3ii6 h GLU 800 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3ii6 h GLU 800 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3ii6 h GLU 800 CO 0.02 0.00 -0.61 -0.92 -1.00 0.00 0.00 179.01 176.50 3ii6 h TYR 801 N 0.00 0.00 -0.80 4.33 3.20 -1.35 -0.46 116.97 121.89 3ii6 h TYR 801 Ca 0.00 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.06 3ii6 h TYR 801 Cb 0.09 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.23 3ii6 h TYR 801 CO 0.00 0.89 0.16 -0.09 -1.64 0.00 0.00 178.16 177.48 3ii6 h ARG 802 N -1.00 0.20 -0.02 1.82 2.43 -0.21 -3.07 114.38 114.54 3ii6 h ARG 802 Ca -0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3ii6 h ARG 802 Cb 0.91 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3ii6 h ARG 802 CO -0.09 0.13 -0.20 0.66 -1.51 0.00 0.00 179.97 178.97 3ii6 n TYR 803 N -5.23 0.00 -2.22 2.20 4.02 0.27 -4.95 117.16 111.25 3ii6 n TYR 803 Ca 0.17 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.98 3ii6 n TYR 803 Cb 0.55 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.87 3ii6 n TYR 803 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3ii6 n SER 804 N 0.46 -2.94 -0.51 7.72 7.64 -0.86 -4.91 113.62 120.21 3ii6 n SER 804 Ca 0.09 -0.03 0.09 0.00 1.01 0.00 0.00 58.87 60.04 3ii6 n SER 804 Cb 0.42 -2.18 0.35 0.00 -1.01 0.00 0.00 64.21 61.79 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 -3.95 0.23 0.54 1.43 8.01 -0.32 -4.35 117.44 119.03 3ii6 n TRP 805 Ca -0.08 -0.11 0.08 0.00 -1.31 0.00 0.00 57.50 56.07 3ii6 n TRP 805 Cb 0.57 0.00 0.34 0.00 -2.01 0.00 0.00 31.31 30.20 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 0.24 0.00 -1.08 -0.99 5.75 -0.38 -2.63 116.55 117.45 3ii6 n ASP 806 Ca 0.15 0.49 0.10 0.00 -0.01 0.00 0.00 54.79 55.52 3ii6 n ASP 806 Cb 0.29 -0.49 0.27 0.00 -1.03 0.00 0.00 41.12 40.16 3ii6 n ASP 806 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ii6 s SER 808 N -1.16 7.26 0.10 0.00 0.15 -1.08 -4.88 113.70 114.10 3ii6 s SER 808 Ca 0.40 2.12 -0.16 0.00 0.70 0.00 0.00 55.95 59.01 3ii6 s SER 808 Cb 0.21 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.85 3ii6 s SER 808 CO 0.29 -0.14 1.49 -0.65 1.20 0.00 0.00 173.24 175.43 3ii6 h PRO 809 N 3.57 0.65 -0.10 5.44 0.11 -1.89 -2.02 132.00 137.76 3ii6 h PRO 809 Ca -0.47 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 65.38 3ii6 h PRO 809 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ii6 h PRO 809 CO 0.66 0.84 0.00 1.28 -0.21 0.00 0.00 178.00 180.57 3ii6 n LEU 810 N -4.41 0.10 -0.28 2.35 4.32 -1.26 -2.15 117.00 115.67 3ii6 n LEU 810 Ca -0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 3ii6 n LEU 810 Cb 0.35 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 3ii6 n LEU 810 CO 0.42 0.03 0.20 -1.54 -1.22 0.00 0.00 177.39 175.28 3ii6 n SER 811 N -0.22 0.00 0.13 -1.43 3.41 -0.78 -3.12 113.62 111.61 3ii6 n SER 811 Ca 0.00 -1.33 -0.01 0.00 -0.26 0.00 0.00 58.87 57.27 3ii6 n SER 811 Cb 0.03 -0.07 0.22 0.00 -0.26 0.00 0.00 64.21 64.13 3ii6 n SER 811 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ii6 h MET 812 N 0.00 0.07 -1.00 4.33 -0.00 -0.75 -2.51 114.93 115.07 3ii6 h MET 812 Ca 0.00 -0.04 -0.53 0.00 -0.00 0.00 0.00 59.70 59.13 3ii6 h MET 812 Cb 1.13 0.00 -0.30 0.00 -0.00 0.00 0.00 31.60 32.43 3ii6 h MET 812 CO 0.00 0.58 0.67 1.19 -0.00 0.00 0.00 176.91 179.35 3ii6 n PHE 813 N -3.92 3.05 -0.34 -0.10 3.01 0.10 -4.60 117.46 114.67 3ii6 n PHE 813 Ca -0.02 -1.92 -0.04 0.00 1.01 0.00 0.00 57.45 56.49 3ii6 n PHE 813 Cb 0.54 -0.98 0.09 0.00 -0.01 0.00 0.00 39.48 39.12 3ii6 n PHE 813 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3ii6 h ARG 814 N 1.06 1.24 -0.80 -1.08 9.65 -1.44 -2.57 114.38 120.44 3ii6 h ARG 814 Ca 0.63 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 59.29 3ii6 h ARG 814 Cb 2.70 -0.25 -0.06 0.00 -1.39 0.00 0.00 29.97 30.97 3ii6 h ARG 814 CO 1.13 0.88 0.12 0.54 2.80 0.00 0.00 179.97 185.44 3ii6 n ARG 815 N -4.37 3.07 -4.40 0.20 1.74 -1.26 -4.60 116.66 107.03 3ii6 n ARG 815 Ca 0.10 -2.03 -0.33 0.00 -0.77 0.00 0.00 57.85 54.82 3ii6 n ARG 815 Cb 0.07 -1.94 -0.10 0.00 -1.02 0.00 0.00 32.46 29.48 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 -2.15 3.04 -0.02 -1.55 3.76 -0.97 -5.03 115.29 112.37 3ii6 s HIS 816 Ca 0.36 0.08 0.05 0.00 -0.15 0.00 0.00 55.06 55.40 3ii6 s HIS 816 Cb 0.28 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.27 3ii6 s HIS 816 CO 0.09 0.42 -0.17 0.99 -0.85 0.00 0.00 174.74 175.22 3ii6 s THR 817 N -0.97 1.39 -0.18 1.30 2.01 -1.26 -2.49 115.64 115.45 3ii6 s THR 817 Ca 0.16 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 3ii6 s THR 817 Cb -0.11 -1.16 0.08 0.00 0.01 0.00 0.00 72.50 71.32 3ii6 s THR 817 CO 0.06 0.39 0.21 -0.69 -0.69 0.00 0.00 174.62 173.90 3ii6 s VAL 818 N -0.30 -0.30 0.02 3.82 1.01 -0.40 0.11 120.40 124.35 3ii6 s VAL 818 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 3ii6 s VAL 818 Cb -0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 3ii6 s VAL 818 CO -0.00 -0.13 0.27 -0.47 0.00 0.00 0.00 175.10 174.76 3ii6 s TYR 819 N 2.31 3.57 -0.04 5.22 5.04 -0.51 -2.40 117.35 130.54 3ii6 s TYR 819 Ca 0.05 0.54 -0.02 0.00 -2.44 0.00 0.00 57.07 55.21 3ii6 s TYR 819 Cb -0.15 -1.97 0.03 0.00 0.35 0.00 0.00 41.96 40.22 3ii6 s TYR 819 CO -0.11 0.60 0.06 -1.17 -1.34 0.00 0.00 175.55 173.60 3ii6 s LEU 820 N -1.87 0.33 -1.50 6.97 1.98 -1.26 0.58 118.68 123.91 3ii6 s LEU 820 Ca 0.29 0.09 -0.09 0.00 -2.89 0.00 0.00 54.13 51.52 3ii6 s LEU 820 Cb -0.13 -0.09 -0.09 0.00 0.66 0.00 0.00 46.19 46.54 3ii6 s LEU 820 CO 0.17 -0.22 2.85 -0.67 -1.89 0.00 0.00 176.35 176.59 3ii6 n ASP 821 N 5.05 8.16 -1.05 3.68 4.64 -0.86 -4.52 116.55 131.66 3ii6 n ASP 821 Ca -0.09 -2.53 0.10 0.00 -1.38 0.00 0.00 54.79 50.90 3ii6 n ASP 821 Cb 0.50 -1.49 0.27 0.00 -1.04 0.00 0.00 41.12 39.36 3ii6 n ASP 821 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3ii6 n SER 822 N 3.66 3.07 -4.09 1.67 7.64 -1.26 -4.83 113.62 119.47 3ii6 n SER 822 Ca 0.73 -1.96 -0.33 0.00 1.01 0.00 0.00 58.87 58.33 3ii6 n SER 822 Cb 0.22 -0.32 -0.15 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.37 3.33 0.26 1.43 2.02 -1.26 0.13 117.35 121.89 3ii6 s TYR 823 Ca 0.39 -2.31 0.13 0.00 -0.37 0.00 0.00 57.07 54.91 3ii6 s TYR 823 Cb 0.21 -2.12 0.73 0.00 -0.40 0.00 0.00 41.96 40.38 3ii6 s TYR 823 CO 0.28 -0.87 1.32 0.00 -1.57 0.00 0.00 175.55 174.71 3ii6 h ALA 824 N 7.81 1.34 -3.06 3.71 0.00 -1.88 -3.26 119.26 123.92 3ii6 h ALA 824 Ca -0.18 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.22 3ii6 h ALA 824 Cb 1.04 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.43 3ii6 h ALA 824 CO 0.49 -0.34 -0.76 0.08 0.00 0.00 0.00 179.25 178.72 3ii6 s VAL 825 N -3.49 0.26 0.06 0.00 1.01 -1.26 -5.05 120.40 111.93 3ii6 s VAL 825 Ca -0.01 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3ii6 s VAL 825 Cb 0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 36.38 35.30 3ii6 s VAL 825 CO 0.12 -0.45 0.46 -0.38 0.00 0.00 0.00 175.10 174.86 3ii6 n ILE 826 N 5.13 0.61 -0.09 2.22 5.41 -1.23 -0.31 119.36 131.10 3ii6 n ILE 826 Ca -0.06 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3ii6 n ILE 826 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.38 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 1.04 0.00 -4.31 4.38 3.02 -1.26 -4.88 115.26 113.25 3ii6 n ASN 827 Ca 0.11 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.22 3ii6 n ASN 827 Cb 0.10 -0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 38.46 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 -2.96 7.02 0.00 6.41 3.68 0.58 -4.91 116.67 126.49 3ii6 s ASP 828 Ca 0.00 -3.43 0.00 0.00 2.13 0.00 0.00 52.55 51.25 3ii6 s ASP 828 Cb 0.00 -2.17 0.00 0.00 -1.45 0.00 0.00 42.92 39.30 3ii6 s ASP 828 CO 0.00 -0.33 0.00 0.18 0.13 0.00 0.00 175.17 175.15 3ii6 n LEU 829 N 2.91 0.00 -2.69 -1.34 4.77 -1.26 0.18 117.00 119.56 3ii6 n LEU 829 Ca 0.21 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.13 3ii6 n LEU 829 Cb 0.40 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.61 3ii6 n LEU 829 CO 0.43 0.00 0.48 -1.20 -1.33 0.00 0.00 177.39 175.77 3ii6 n SER 830 N -0.12 -1.60 0.16 -1.43 7.64 -1.26 -4.61 113.62 112.40 3ii6 n SER 830 Ca 0.00 -2.44 0.13 0.00 1.01 0.00 0.00 58.87 57.57 3ii6 n SER 830 Cb 0.00 0.86 0.46 0.00 -1.01 0.00 0.00 64.21 64.53 3ii6 n SER 830 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3ii6 h THR 831 N 2.38 0.00 0.00 0.44 1.35 0.17 -3.49 112.91 113.75 3ii6 h THR 831 Ca -0.29 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3ii6 h THR 831 Cb 1.29 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3ii6 h THR 831 CO -0.05 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.39 3ii6 n LYS 832 N -2.49 0.00 -0.11 4.72 3.00 -1.25 -3.42 118.16 118.61 3ii6 n LYS 832 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.36 3ii6 n LYS 832 Cb 0.34 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.44 3ii6 n LYS 832 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ii6 n ASN 833 N 0.00 1.20 -4.10 3.14 4.13 0.34 -4.92 115.26 115.05 3ii6 n ASN 833 Ca 0.00 -2.07 -0.29 0.00 1.68 0.00 0.00 54.58 53.91 3ii6 n ASN 833 Cb 0.00 -0.25 0.26 0.00 -1.54 0.00 0.00 39.78 38.24 3ii6 n ASN 833 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3ii6 n GLU 834 N 0.00 -3.04 -0.99 3.52 0.28 -1.26 -4.40 120.64 114.75 3ii6 n GLU 834 Ca 0.05 -0.88 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 3ii6 n GLU 834 Cb 0.24 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 31.11 3ii6 n GLU 834 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ii6 n GLY 835 N 1.49 0.86 3.31 -1.84 0.00 -1.26 -5.07 105.19 102.68 3ii6 n GLY 835 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3ii6 n GLY 835 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ii6 n THR 836 N -2.23 0.82 0.27 2.61 -2.24 -1.26 -4.91 114.28 107.33 3ii6 n THR 836 Ca 0.00 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 3ii6 n THR 836 Cb 0.00 -0.03 0.17 0.00 -2.10 0.00 0.00 70.33 68.38 3ii6 n THR 836 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3ii6 n ARG 837 N 1.27 0.00 0.26 -0.78 1.85 -1.26 -2.54 116.66 115.47 3ii6 n ARG 837 Ca 0.12 0.37 0.12 0.00 -1.00 0.00 0.00 57.85 57.45 3ii6 n ARG 837 Cb 0.39 -1.51 0.70 0.00 -1.05 0.00 0.00 32.46 30.99 3ii6 n ARG 837 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3ii6 h LEU 838 N 0.00 0.00 -0.39 2.89 3.38 -1.98 -2.51 115.31 116.71 3ii6 h LEU 838 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ii6 h LEU 838 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ii6 h LEU 838 CO 0.00 0.13 0.15 0.00 0.09 0.00 0.00 178.44 178.81 3ii6 h ALA 839 N 1.87 0.50 -0.76 1.53 0.00 -1.86 -2.43 119.26 118.11 3ii6 h ALA 839 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ii6 h ALA 839 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3ii6 h ALA 839 CO 0.02 0.11 0.43 0.82 0.00 0.00 0.00 179.25 180.62 3ii6 h ILE 840 N 0.48 1.22 -0.02 0.00 1.08 -1.66 -2.18 117.51 116.43 3ii6 h ILE 840 Ca 0.13 -0.54 -0.06 0.00 -0.39 0.00 0.00 64.86 63.99 3ii6 h ILE 840 Cb 0.20 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 3ii6 h ILE 840 CO -0.01 0.25 -0.29 0.11 -0.69 0.00 0.00 178.15 177.51 3ii6 h LYS 841 N 1.06 0.04 -0.01 2.37 1.79 -1.22 0.16 116.57 120.75 3ii6 h LYS 841 Ca 0.27 -0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.50 3ii6 h LYS 841 Cb 0.01 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3ii6 h LYS 841 CO -0.05 0.33 -0.94 0.00 -1.08 0.00 0.00 179.45 177.72 3ii6 h ALA 842 N 1.67 0.34 -0.59 3.86 0.00 -0.94 0.25 119.26 123.86 3ii6 h ALA 842 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.25 3ii6 h ALA 842 Cb 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3ii6 h ALA 842 CO 0.04 0.79 0.39 -0.07 0.00 0.00 0.00 179.25 180.40 3ii6 h LEU 843 N 0.27 0.61 -0.24 0.00 3.38 -0.74 -2.05 115.31 116.54 3ii6 h LEU 843 Ca -0.08 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 3ii6 h LEU 843 Cb 1.57 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.18 3ii6 h LEU 843 CO 0.17 0.42 -0.74 -0.33 0.09 0.00 0.00 178.44 178.05 3ii6 h GLU 844 N 0.71 0.72 -0.24 1.13 5.08 -0.08 -1.07 114.58 120.83 3ii6 h GLU 844 Ca 0.24 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 3ii6 h GLU 844 Cb 0.06 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3ii6 h GLU 844 CO -0.06 1.18 0.01 -0.07 -1.00 0.00 0.00 179.01 179.07 3ii6 h LEU 845 N 0.50 0.40 -0.18 1.33 3.38 -0.45 -3.04 115.31 117.25 3ii6 h LEU 845 Ca -0.04 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3ii6 h LEU 845 Cb 1.35 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 3ii6 h LEU 845 CO 0.15 0.60 0.02 0.03 0.09 0.00 0.00 178.44 179.32 3ii6 h ARG 846 N 0.19 0.08 -0.92 1.13 3.08 -1.35 0.18 114.38 116.77 3ii6 h ARG 846 Ca 0.07 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.27 3ii6 h ARG 846 Cb 0.38 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 3ii6 h ARG 846 CO 0.01 0.05 0.59 0.35 -1.07 0.00 0.00 179.97 179.90 3ii6 h PHE 847 N 0.09 0.84 -0.63 3.04 3.57 -1.24 -2.92 116.94 119.69 3ii6 h PHE 847 Ca 0.08 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.32 3ii6 h PHE 847 Cb 0.09 -0.26 -0.17 0.00 2.79 0.00 0.00 35.95 38.39 3ii6 h PHE 847 CO -0.15 0.29 0.24 0.72 -2.23 0.00 0.00 178.31 177.18 3ii6 n HIS 848 N -4.58 1.99 -0.16 0.41 8.25 -0.92 -4.75 115.22 115.46 3ii6 n HIS 848 Ca 0.18 -1.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.10 3ii6 n HIS 848 Cb 0.50 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.91 0.72 3.80 -1.41 0.00 -1.07 -0.72 105.19 105.61 3ii6 n GLY 849 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.18 3.01 -0.46 4.61 0.00 0.59 -3.32 121.76 124.01 3ii6 s ALA 850 Ca 0.00 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 3ii6 s ALA 850 Cb 0.00 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.95 3ii6 s ALA 850 CO 0.00 -0.04 0.97 0.21 0.00 0.00 0.00 175.76 176.89 3ii6 s LYS 851 N -3.00 3.60 -0.40 0.00 2.20 -1.04 -4.42 119.74 116.68 3ii6 s LYS 851 Ca 0.62 0.27 -0.19 0.00 -0.36 0.00 0.00 55.97 56.31 3ii6 s LYS 851 Cb -0.14 -3.91 0.01 0.00 -1.51 0.00 0.00 37.83 32.28 3ii6 s LYS 851 CO 0.18 -1.23 0.55 0.08 -0.36 0.00 0.00 175.35 174.57 3ii6 s VAL 852 N 3.86 4.96 -0.04 4.02 1.01 -1.26 -1.28 120.40 131.67 3ii6 s VAL 852 Ca 0.39 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 3ii6 s VAL 852 Cb -0.10 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3ii6 s VAL 852 CO 0.27 -0.40 0.12 0.54 0.00 0.00 0.00 175.10 175.63 3ii6 s VAL 853 N 2.51 5.11 -0.80 2.92 0.11 -1.01 -4.99 120.40 124.24 3ii6 s VAL 853 Ca 0.19 -0.18 0.17 0.00 -2.93 0.00 0.00 61.98 59.23 3ii6 s VAL 853 Cb -0.15 -3.32 0.67 0.00 -1.53 0.00 0.00 36.38 32.05 3ii6 s VAL 853 CO 0.15 0.42 1.59 -1.54 -3.33 0.00 0.00 175.10 172.39 3ii6 n SER 854 N 1.35 4.63 -3.80 3.54 3.41 -1.26 -4.50 113.62 116.99 3ii6 n SER 854 Ca -0.14 -2.58 -0.16 0.00 -0.26 0.00 0.00 58.87 55.73 3ii6 n SER 854 Cb 0.53 -0.56 -0.16 0.00 -0.26 0.00 0.00 64.21 63.76 3ii6 n SER 854 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ii6 n LEU 856 N 4.11 5.03 0.00 0.00 0.00 -1.26 -4.87 117.00 120.00 3ii6 n LEU 856 Ca -0.27 -2.90 -0.17 0.00 0.00 0.00 0.00 56.01 52.66 3ii6 n LEU 856 Cb 0.51 -1.30 0.15 0.00 0.00 0.00 0.00 43.42 42.77 3ii6 n LEU 856 CO 0.22 1.47 0.36 0.00 0.00 0.00 0.00 177.39 179.44 3ii6 n ALA 857 N 2.32 -2.00 0.54 1.96 0.00 -1.26 -4.90 120.51 117.16 3ii6 n ALA 857 Ca 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3ii6 n ALA 857 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3ii6 n ALA 857 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ii6 n GLU 858 N -3.45 0.55 0.09 0.00 4.07 -1.26 -3.48 120.64 117.16 3ii6 n GLU 858 Ca 0.09 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 57.00 3ii6 n GLU 858 Cb 0.34 -1.23 -0.11 0.00 -0.06 0.00 0.00 31.44 30.39 3ii6 n GLU 858 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3ii6 h GLY 859 N 3.10 0.53 -3.98 8.31 0.00 -1.90 -3.49 103.07 105.63 3ii6 h GLY 859 Ca 0.00 -1.12 -0.51 0.00 0.00 0.00 0.00 47.33 45.69 3ii6 h GLY 859 CO 0.00 0.99 0.47 0.14 0.00 0.00 0.00 176.54 178.14 3ii6 s VAL 860 N -2.94 3.74 -0.25 4.60 1.01 -1.23 -4.87 120.40 120.48 3ii6 s VAL 860 Ca -0.07 1.59 0.15 0.00 0.00 0.00 0.00 61.98 63.64 3ii6 s VAL 860 Cb 0.07 -4.01 -0.20 0.00 0.00 0.00 0.00 36.38 32.23 3ii6 s VAL 860 CO 0.90 0.31 0.42 -1.54 0.00 0.00 0.00 175.10 175.20 3ii6 n SER 861 N 1.96 1.29 -3.76 3.32 3.41 0.31 -4.25 113.62 115.90 3ii6 n SER 861 Ca 0.01 -0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.21 3ii6 n SER 861 Cb 0.46 1.44 -0.11 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.80 -0.35 0.02 7.33 3.76 -0.89 -1.53 115.29 120.84 3ii6 s HIS 862 Ca -0.02 0.86 0.08 0.00 -0.15 0.00 0.00 55.06 55.83 3ii6 s HIS 862 Cb 0.10 0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.89 3ii6 s HIS 862 CO 0.61 -0.17 -0.24 0.08 -0.85 0.00 0.00 174.74 174.16 3ii6 s VAL 863 N 0.16 1.96 -0.18 -0.90 1.01 0.28 -1.42 120.40 121.30 3ii6 s VAL 863 Ca -0.00 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.78 3ii6 s VAL 863 Cb -0.02 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.72 3ii6 s VAL 863 CO 0.00 0.40 -0.20 -0.63 0.00 0.00 0.00 175.10 174.68 3ii6 s ILE 864 N -0.71 2.09 0.18 2.22 -1.09 0.20 -1.62 121.20 122.46 3ii6 s ILE 864 Ca 0.10 -0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 57.51 3ii6 s ILE 864 Cb -0.09 -1.87 -0.06 0.00 -1.58 0.00 0.00 42.46 38.85 3ii6 s ILE 864 CO 0.01 0.54 0.47 -0.63 -1.23 0.00 0.00 174.94 174.10 3ii6 s ILE 865 N 1.24 5.04 0.00 2.92 -1.09 -1.05 -2.02 121.20 126.23 3ii6 s ILE 865 Ca 0.04 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 3ii6 s ILE 865 Cb -0.13 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3ii6 s ILE 865 CO -0.11 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.22 3ii6 n GLY 866 N 0.07 3.86 0.11 6.18 0.00 -1.26 -1.62 105.19 112.53 3ii6 n GLY 866 Ca -0.02 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 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 0.26 -6.16 1.61 5.08 -2.00 -3.40 114.58 109.98 3ii6 h GLU 867 Ca 0.00 -0.06 -0.56 0.00 -1.00 0.00 0.00 59.36 57.74 3ii6 h GLU 867 Cb 0.00 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ii6 h GLU 867 CO 0.00 0.40 1.37 0.34 -1.00 0.00 0.00 179.01 180.12 3ii6 s ASP 868 N -5.65 5.91 -0.24 1.42 3.68 -1.26 -4.86 116.67 115.66 3ii6 s ASP 868 Ca -0.14 2.22 0.14 0.00 2.13 0.00 0.00 52.55 56.90 3ii6 s ASP 868 Cb 0.06 -2.52 0.82 0.00 -1.45 0.00 0.00 42.92 39.84 3ii6 s ASP 868 CO 0.71 -1.55 1.76 1.41 0.13 0.00 0.00 175.17 177.62 3ii6 n HIS 869 N 9.82 2.12 -0.25 -5.34 8.25 -1.26 -4.70 115.22 123.86 3ii6 n HIS 869 Ca 0.25 -0.76 0.14 0.00 -0.26 0.00 0.00 57.72 57.10 3ii6 n HIS 869 Cb 0.43 -0.53 0.43 0.00 1.12 0.00 0.00 29.99 31.45 3ii6 n HIS 869 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3ii6 h SER 870 N 3.93 0.55 -0.60 0.41 0.02 -1.96 -1.83 113.55 114.07 3ii6 h SER 870 Ca 0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3ii6 h SER 870 Cb 2.02 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.49 3ii6 h SER 870 CO 0.51 0.26 0.00 0.54 -1.14 0.00 0.00 176.83 177.00 3ii6 n ARG 871 N -4.55 2.67 0.28 3.45 1.74 -1.26 -4.55 116.66 114.44 3ii6 n ARG 871 Ca 0.18 -2.47 0.15 0.00 -0.77 0.00 0.00 57.85 54.94 3ii6 n ARG 871 Cb 0.55 -1.51 0.78 0.00 -1.02 0.00 0.00 32.46 31.26 3ii6 n ARG 871 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3ii6 h VAL 872 N 3.94 0.34 -0.16 1.55 -1.51 -1.68 -1.57 116.25 117.16 3ii6 h VAL 872 Ca 0.00 -0.49 -0.20 0.00 -1.23 0.00 0.00 66.70 64.78 3ii6 h VAL 872 Cb 0.94 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3ii6 h VAL 872 CO 0.00 0.08 -0.70 0.00 -1.23 0.00 0.00 177.57 175.72 3ii6 h ALA 873 N 1.92 0.47 0.77 5.19 0.00 -1.80 -0.49 119.26 125.32 3ii6 h ALA 873 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3ii6 h ALA 873 Cb 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ii6 h ALA 873 CO 0.01 0.71 -0.45 -0.44 0.00 0.00 0.00 179.25 179.08 3ii6 h ASP 874 N 0.47 -1.11 -0.86 0.00 5.19 -1.82 -2.00 116.42 116.30 3ii6 h ASP 874 Ca -0.03 0.06 0.21 0.00 -0.62 0.00 0.00 57.03 56.64 3ii6 h ASP 874 Cb 1.30 0.32 -0.15 0.00 0.18 0.00 0.00 39.33 40.97 3ii6 h ASP 874 CO 0.14 -0.70 -0.02 -0.26 -3.12 0.00 0.00 179.24 175.28 3ii6 h PHE 875 N -1.13 -0.11 0.00 4.55 -1.00 -1.18 0.23 116.94 118.29 3ii6 h PHE 875 Ca -0.10 0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 3ii6 h PHE 875 Cb 0.90 0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.64 3ii6 h PHE 875 CO -0.06 -0.32 -0.22 0.87 -1.61 0.00 0.00 178.31 176.97 3ii6 h LYS 876 N 0.06 0.00 0.00 1.51 1.57 -0.92 0.19 116.57 118.98 3ii6 h LYS 876 Ca 0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 3ii6 h LYS 876 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 3ii6 h LYS 876 CO -0.79 0.22 -0.08 0.00 -0.57 0.00 0.00 179.45 178.22 3ii6 h ALA 877 N 1.78 0.01 -0.89 3.86 0.00 0.03 -3.17 119.26 120.88 3ii6 h ALA 877 Ca -0.00 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.93 3ii6 h ALA 877 Cb 0.73 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.49 3ii6 h ALA 877 CO 0.03 0.07 0.46 0.35 0.00 0.00 0.00 179.25 180.16 3ii6 h PHE 878 N -1.00 0.79 -0.63 0.00 3.04 -0.72 -2.60 116.94 115.82 3ii6 h PHE 878 Ca -0.01 0.04 0.13 0.00 3.98 0.00 0.00 57.97 62.10 3ii6 h PHE 878 Cb 0.24 -0.21 -0.09 0.00 2.56 0.00 0.00 35.95 38.44 3ii6 h PHE 878 CO 0.02 0.12 0.11 -0.09 -2.02 0.00 0.00 178.31 176.46 3ii6 h ARG 879 N 0.58 0.23 -0.35 1.11 1.12 -0.70 -2.31 114.38 114.06 3ii6 h ARG 879 Ca 0.52 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.42 3ii6 h ARG 879 Cb 0.83 -0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.69 3ii6 h ARG 879 CO -0.42 0.15 -0.16 0.54 -3.11 0.00 0.00 179.97 176.97 3ii6 n ARG 880 N -5.16 -0.11 -0.25 0.20 5.12 -0.98 -1.08 116.66 114.40 3ii6 n ARG 880 Ca 0.10 0.54 -0.03 0.00 -1.93 0.00 0.00 57.85 56.52 3ii6 n ARG 880 Cb 0.36 -0.79 -0.01 0.00 -1.16 0.00 0.00 32.46 30.86 3ii6 n ARG 880 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3ii6 n THR 881 N -4.49 -0.37 -2.58 0.55 -1.04 -0.87 -4.90 114.28 100.59 3ii6 n THR 881 Ca 0.02 1.49 -0.34 0.00 -2.04 0.00 0.00 64.05 63.19 3ii6 n THR 881 Cb 0.12 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 66.68 3ii6 n THR 881 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3ii6 s PHE 882 N -5.48 3.08 -0.13 -1.42 2.99 -0.24 -5.07 117.98 111.72 3ii6 s PHE 882 Ca -0.08 1.58 -0.26 0.00 0.00 0.00 0.00 56.93 58.17 3ii6 s PHE 882 Cb 0.10 -3.00 -0.26 0.00 0.00 0.00 0.00 43.02 39.86 3ii6 s PHE 882 CO 0.42 -0.66 0.69 -0.22 -0.00 0.00 0.00 175.22 175.46 3ii6 h LYS 883 N 1.56 0.07 -5.26 0.44 3.64 -1.90 -3.43 116.57 111.70 3ii6 h LYS 883 Ca -0.49 -0.13 -0.66 0.00 -1.27 0.00 0.00 60.65 58.10 3ii6 h LYS 883 Cb 1.21 0.05 -0.29 0.00 -0.41 0.00 0.00 32.23 32.78 3ii6 h LYS 883 CO 0.59 1.06 -0.80 1.03 -2.27 0.00 0.00 179.45 179.07 3ii6 s ARG 884 N -2.30 3.27 -0.15 1.90 0.52 -1.26 -5.08 118.95 115.84 3ii6 s ARG 884 Ca -0.20 -0.74 -0.07 0.00 -0.52 0.00 0.00 55.73 54.21 3ii6 s ARG 884 Cb -0.00 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 3ii6 s ARG 884 CO 0.71 0.11 0.08 0.15 0.02 0.00 0.00 175.30 176.37 3ii6 s LYS 885 N 0.59 3.70 1.05 3.54 1.02 -1.26 -4.88 119.74 123.50 3ii6 s LYS 885 Ca -0.09 -0.29 -0.16 0.00 0.02 0.00 0.00 55.97 55.45 3ii6 s LYS 885 Cb -0.16 -3.16 0.22 0.00 -0.52 0.00 0.00 37.83 34.21 3ii6 s LYS 885 CO 0.03 0.48 1.18 -0.59 -0.92 0.00 0.00 175.35 175.53 3ii6 s PHE 886 N -0.20 1.39 0.15 3.18 -0.71 -1.26 -4.94 117.98 115.59 3ii6 s PHE 886 Ca 0.08 0.55 0.06 0.00 -1.04 0.00 0.00 56.93 56.58 3ii6 s PHE 886 Cb -0.12 -3.63 -0.04 0.00 -1.21 0.00 0.00 43.02 38.02 3ii6 s PHE 886 CO 0.01 -3.10 0.06 0.15 -1.34 0.00 0.00 175.22 171.00 3ii6 s LYS 887 N -5.50 2.65 -0.14 1.99 1.02 -0.58 -4.92 119.74 114.26 3ii6 s LYS 887 Ca 0.70 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.75 3ii6 s LYS 887 Cb -0.10 -2.52 -0.00 0.00 -0.52 0.00 0.00 37.83 34.69 3ii6 s LYS 887 CO 0.54 0.49 -0.18 0.42 -0.92 0.00 0.00 175.35 175.70 3ii6 s ILE 888 N -1.66 2.44 0.10 2.17 1.01 -1.26 0.10 121.20 124.10 3ii6 s ILE 888 Ca 0.29 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.13 3ii6 s ILE 888 Cb -0.10 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3ii6 s ILE 888 CO 0.21 0.53 -0.13 -0.76 0.00 0.00 0.00 174.94 174.79 3ii6 s LEU 889 N 0.66 2.36 0.32 2.97 1.43 -0.64 -0.92 118.68 124.87 3ii6 s LEU 889 Ca -0.09 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 3ii6 s LEU 889 Cb -0.16 -0.49 -0.10 0.00 0.03 0.00 0.00 46.19 45.47 3ii6 s LEU 889 CO 0.02 -0.15 1.27 -0.54 0.23 0.00 0.00 176.35 177.18 3ii6 s LYS 890 N -2.40 4.41 0.28 1.70 1.02 -0.31 -2.53 119.74 121.90 3ii6 s LYS 890 Ca 0.05 2.13 0.10 0.00 0.02 0.00 0.00 55.97 58.27 3ii6 s LYS 890 Cb -0.06 -3.09 0.88 0.00 -0.52 0.00 0.00 37.83 35.04 3ii6 s LYS 890 CO 0.02 -0.11 1.27 0.39 -0.92 0.00 0.00 175.35 176.00 3ii6 n GLU 891 N 0.86 -0.06 0.34 1.68 1.02 -0.64 -1.22 120.64 122.62 3ii6 n GLU 891 Ca -0.00 1.16 0.23 0.00 -0.02 0.00 0.00 57.16 58.52 3ii6 n GLU 891 Cb 0.42 -1.97 1.21 0.00 -0.02 0.00 0.00 31.44 31.08 3ii6 n GLU 891 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3ii6 h SER 892 N 0.00 0.00 -0.74 1.62 4.64 -1.92 -2.04 113.55 115.12 3ii6 h SER 892 Ca 0.60 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.90 3ii6 h SER 892 Cb 1.46 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.52 3ii6 h SER 892 CO -0.68 0.00 0.40 -0.25 -0.87 0.00 0.00 176.83 175.42 3ii6 h TRP 893 N 0.00 1.03 0.00 4.77 7.01 -1.55 0.26 115.95 127.46 3ii6 h TRP 893 Ca 0.00 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.93 3ii6 h TRP 893 Cb 0.04 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 3ii6 h TRP 893 CO 0.00 0.73 -0.24 -0.39 -2.79 0.00 0.00 178.44 175.75 3ii6 h VAL 894 N 1.05 1.55 -0.15 2.65 -1.51 -1.56 0.51 116.25 118.79 3ii6 h VAL 894 Ca 0.26 -2.25 0.05 0.00 -1.23 0.00 0.00 66.70 63.53 3ii6 h VAL 894 Cb 0.05 3.02 -0.07 0.00 -2.13 0.00 0.00 31.29 32.16 3ii6 h VAL 894 CO -0.04 0.52 -0.34 0.74 -1.23 0.00 0.00 177.57 177.22 3ii6 h THR 895 N -1.00 0.25 -0.38 7.19 2.02 -1.50 0.10 112.91 119.60 3ii6 h THR 895 Ca -0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.16 3ii6 h THR 895 Cb 1.01 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3ii6 h THR 895 CO -0.04 0.00 0.12 0.44 0.37 0.00 0.00 175.52 176.41 3ii6 h ASP 896 N -0.41 0.11 -0.95 4.18 3.32 -0.60 -0.06 116.42 122.02 3ii6 h ASP 896 Ca 0.10 0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.30 3ii6 h ASP 896 Cb 0.56 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 3ii6 h ASP 896 CO -0.37 0.10 0.61 0.28 -1.72 0.00 0.00 179.24 178.13 3ii6 h SER 897 N 0.27 0.85 0.13 6.45 0.02 -0.65 -2.74 113.55 117.88 3ii6 h SER 897 Ca 0.18 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3ii6 h SER 897 Cb 0.17 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3ii6 h SER 897 CO -0.19 0.48 -0.06 0.40 -1.14 0.00 0.00 176.83 176.32 3ii6 h ILE 898 N 0.93 0.36 -0.53 3.27 2.04 -0.37 -2.15 117.51 121.07 3ii6 h ILE 898 Ca 0.45 -1.08 0.22 0.00 1.00 0.00 0.00 64.86 65.44 3ii6 h ILE 898 Cb 0.46 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 3ii6 h ILE 898 CO -0.21 0.11 0.26 0.47 0.00 0.00 0.00 178.15 178.78 3ii6 n ASP 899 N -4.87 0.17 -1.14 1.72 8.00 -0.07 -0.30 116.55 120.05 3ii6 n ASP 899 Ca -0.04 0.87 0.12 0.00 0.71 0.00 0.00 54.79 56.45 3ii6 n ASP 899 Cb 0.16 -0.42 0.23 0.00 -0.02 0.00 0.00 41.12 41.06 3ii6 n ASP 899 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ii6 n LYS 900 N -4.22 2.49 -2.19 -1.24 4.76 -1.03 -4.91 118.16 111.81 3ii6 n LYS 900 Ca 0.19 -2.25 -0.09 0.00 -2.87 0.00 0.00 58.31 53.30 3ii6 n LYS 900 Cb 0.66 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 32.32 3ii6 n LYS 900 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ii6 s GLU 902 N -4.51 0.66 -0.31 0.00 2.12 -1.00 -4.68 118.70 110.98 3ii6 s GLU 902 Ca 0.00 0.72 -0.35 0.00 0.36 0.00 0.00 54.97 55.70 3ii6 s GLU 902 Cb 0.00 0.32 -0.11 0.00 0.26 0.00 0.00 34.13 34.60 3ii6 s GLU 902 CO 0.00 -0.09 2.13 1.28 -0.54 0.00 0.00 175.26 178.05 3ii6 n LEU 903 N 2.67 2.32 -4.71 2.70 4.77 -1.26 -4.42 117.00 119.07 3ii6 n LEU 903 Ca -0.14 0.49 -0.35 0.00 -0.03 0.00 0.00 56.01 55.98 3ii6 n LEU 903 Cb 0.56 -1.28 0.10 0.00 -2.33 0.00 0.00 43.42 40.47 3ii6 n LEU 903 CO 0.09 -0.65 0.85 -1.10 -1.33 0.00 0.00 177.39 175.25 3ii6 s GLN 904 N 5.86 2.13 0.27 3.23 -1.52 -1.26 -5.04 119.66 123.33 3ii6 s GLN 904 Ca 1.07 1.93 0.07 0.00 -1.95 0.00 0.00 55.36 56.49 3ii6 s GLN 904 Cb -0.83 -1.81 -0.06 0.00 -0.22 0.00 0.00 33.01 30.09 3ii6 s GLN 904 CO 0.50 -1.89 -0.08 -1.21 -0.25 0.00 0.00 175.29 172.36 3ii6 s GLU 905 N -3.72 1.55 0.47 2.91 2.02 -1.26 -4.91 118.70 115.76 3ii6 s GLU 905 Ca 0.79 -1.77 0.27 0.00 0.02 0.00 0.00 54.97 54.27 3ii6 s GLU 905 Cb -0.34 -1.23 0.83 0.00 0.10 0.00 0.00 34.13 33.50 3ii6 s GLU 905 CO 0.45 0.08 1.79 1.05 0.02 0.00 0.00 175.26 178.65 3ii6 h GLU 906 N 2.30 0.00 0.00 1.61 4.11 -1.98 -3.35 114.58 117.26 3ii6 h GLU 906 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 3ii6 h GLU 906 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3ii6 h GLU 906 CO 0.66 0.10 0.00 -0.91 0.07 0.00 0.00 179.01 178.93 3ii6 h ASN 907 N 0.00 0.00 -0.07 3.06 2.35 -1.98 1.81 115.58 120.75 3ii6 h ASN 907 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ii6 h ASN 907 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3ii6 h ASN 907 CO 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 3ii6 n GLN 908 N -3.05 1.33 0.00 0.81 10.64 -1.26 -3.07 117.38 122.78 3ii6 n GLN 908 Ca 0.01 -0.50 0.00 0.00 -1.83 0.00 0.00 57.00 54.68 3ii6 n GLN 908 Cb 0.32 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 3ii6 n GLN 908 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3ii6 n TYR 909 N -0.29 0.00 -1.72 2.61 4.02 0.61 -5.04 117.16 117.35 3ii6 n TYR 909 Ca 0.15 -0.24 -0.42 0.00 -0.01 0.00 0.00 57.90 57.39 3ii6 n TYR 909 Cb 0.19 -0.02 -0.01 0.00 -0.02 0.00 0.00 39.34 39.48 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 -0.24 3.84 0.00 7.72 4.77 -0.73 -1.16 117.00 131.20 3ii6 n LEU 910 Ca 0.00 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 3ii6 n LEU 910 Cb 0.22 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 3ii6 n LEU 910 CO 0.00 -0.33 0.00 -0.38 -1.33 0.00 0.00 177.39 175.35