#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f02 s SER 659 N 0.00 -0.68 -0.06 0.00 0.15 -0.93 -5.00 113.70 107.17 1f02 s SER 659 Ca 0.00 1.05 -0.27 0.00 0.70 0.00 0.00 55.95 57.43 1f02 s SER 659 Cb 0.00 1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 65.72 1f02 s SER 659 CO 0.00 -0.16 0.87 -0.63 1.20 0.00 0.00 173.24 174.52 1f02 s ILE 660 N 1.75 4.92 0.00 6.45 1.01 -1.26 -0.41 121.20 133.66 1f02 s ILE 660 Ca -0.08 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.36 1f02 s ILE 660 Cb -0.05 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1f02 s ILE 660 CO -0.17 0.15 0.07 0.35 0.00 0.00 0.00 174.94 175.34 1f02 n THR 661 N 4.09 0.00 -3.75 2.92 -2.24 -0.36 -4.96 114.28 109.98 1f02 n THR 661 Ca 0.04 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1f02 n THR 661 Cb 0.50 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 1f02 n THR 661 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1f02 s GLU 662 N -0.79 0.02 -0.27 -0.78 2.02 -1.22 -4.97 118.70 112.71 1f02 s GLU 662 Ca 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 54.97 55.26 1f02 s GLU 662 Cb 0.00 -0.23 0.10 0.00 0.10 0.00 0.00 34.13 34.10 1f02 s GLU 662 CO 0.00 -0.18 0.18 -1.50 0.02 0.00 0.00 175.26 173.78 1f02 s ILE 663 N 1.25 -0.19 0.20 -1.63 2.07 -1.26 -1.14 121.20 120.49 1f02 s ILE 663 Ca -0.08 -0.55 0.10 0.00 -1.41 0.00 0.00 60.65 58.72 1f02 s ILE 663 Cb -0.12 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 1f02 s ILE 663 CO -0.05 -0.55 -0.15 -0.75 -1.91 0.00 0.00 174.94 171.53 1f02 s LYS 664 N 2.20 1.84 -0.12 3.50 2.20 -0.36 -4.65 119.74 124.35 1f02 s LYS 664 Ca 0.08 -1.41 0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1f02 s LYS 664 Cb -0.15 -2.01 0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1f02 s LYS 664 CO -0.30 0.41 -0.10 0.00 -0.36 0.00 0.00 175.35 175.00 1f02 s ALA 665 N -1.77 1.47 0.63 3.13 0.00 -1.26 -0.98 121.76 122.98 1f02 s ALA 665 Ca 0.24 -0.63 0.29 0.00 0.00 0.00 0.00 51.96 51.86 1f02 s ALA 665 Cb -0.08 -0.90 1.58 0.00 0.00 0.00 0.00 23.12 23.71 1f02 s ALA 665 CO 0.13 -0.32 1.93 0.38 0.00 0.00 0.00 175.76 177.87 1f02 h ASP 666 N 7.96 0.00 -5.18 0.00 2.03 -1.70 -3.44 116.42 116.10 1f02 h ASP 666 Ca -0.32 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.11 1f02 h ASP 666 Cb 1.14 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.56 1f02 h ASP 666 CO 0.45 0.00 0.40 -1.59 -1.03 0.00 0.00 179.24 177.47 1f02 s LYS 667 N -4.33 1.36 -0.03 4.15 -2.85 -1.26 -5.00 119.74 111.77 1f02 s LYS 667 Ca -0.04 -0.73 0.05 0.00 -1.00 0.00 0.00 55.97 54.25 1f02 s LYS 667 Cb 0.12 0.47 0.07 0.00 -2.06 0.00 0.00 37.83 36.43 1f02 s LYS 667 CO 0.39 -0.62 0.98 0.25 0.10 0.00 0.00 175.35 176.45 1f02 n THR 668 N -0.45 1.06 -3.88 3.79 -2.24 -1.26 -4.89 114.28 106.40 1f02 n THR 668 Ca -0.06 -1.16 -0.11 0.00 -2.27 0.00 0.00 64.05 60.45 1f02 n THR 668 Cb 0.60 0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 69.09 1f02 n THR 668 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1f02 s THR 669 N -1.31 0.05 0.10 4.28 2.01 -1.26 -1.75 115.64 117.76 1f02 s THR 669 Ca 0.08 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 61.43 1f02 s THR 669 Cb 0.07 -0.24 0.08 0.00 0.01 0.00 0.00 72.50 72.42 1f02 s THR 669 CO 0.01 -0.22 0.69 0.00 -0.69 0.00 0.00 174.62 174.40 1f02 s ALA 670 N -0.70 -1.68 0.00 7.40 0.00 -0.77 -4.97 121.76 121.05 1f02 s ALA 670 Ca -0.08 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 1f02 s ALA 670 Cb -0.05 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 1f02 s ALA 670 CO 0.00 -0.72 0.73 0.08 0.00 0.00 0.00 175.76 175.85 1f02 s VAL 671 N -3.40 4.86 0.00 0.00 1.01 -1.26 -0.79 120.40 120.82 1f02 s VAL 671 Ca 0.01 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 1f02 s VAL 671 Cb -0.01 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 1f02 s VAL 671 CO -0.10 0.33 2.35 0.00 0.00 0.00 0.00 175.10 177.67 1f02 n ALA 672 N 3.12 4.51 -0.53 5.51 0.00 0.58 -4.20 120.51 129.50 1f02 n ALA 672 Ca -0.02 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 52.97 1f02 n ALA 672 Cb 0.51 -1.45 0.34 0.00 0.00 0.00 0.00 19.45 18.85 1f02 n ALA 672 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1f02 n ASN 673 N 1.84 4.76 0.00 0.00 0.23 -1.17 -4.11 115.26 116.81 1f02 n ASN 673 Ca 0.12 -2.60 0.00 0.00 -0.53 0.00 0.00 54.58 51.57 1f02 n ASN 673 Cb 0.59 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1f02 n ASN 673 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f02 n GLY 674 N 0.83 0.63 0.01 4.83 0.00 -0.42 -4.69 105.19 106.39 1f02 n GLY 674 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1f02 n GLY 674 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f02 n GLN 675 N -2.00 0.56 -1.86 1.61 1.13 -1.26 -4.75 117.38 110.80 1f02 n GLN 675 Ca 0.00 0.01 -0.43 0.00 -1.94 0.00 0.00 57.00 54.64 1f02 n GLN 675 Cb 0.00 -1.06 -0.03 0.00 0.11 0.00 0.00 30.24 29.27 1f02 n GLN 675 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1f02 s ASP 676 N -4.14 5.83 -0.01 1.08 2.15 -1.26 -4.97 116.67 115.35 1f02 s ASP 676 Ca -0.03 1.61 0.01 0.00 0.43 0.00 0.00 52.55 54.56 1f02 s ASP 676 Cb 0.01 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1f02 s ASP 676 CO 0.07 -1.71 0.02 0.00 -0.17 0.00 0.00 175.17 173.38 1f02 s ALA 677 N 7.04 3.34 -0.17 3.66 0.00 -1.26 -4.56 121.76 129.81 1f02 s ALA 677 Ca 0.86 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1f02 s ALA 677 Cb -0.27 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1f02 s ALA 677 CO 0.34 0.65 0.04 0.42 0.00 0.00 0.00 175.76 177.21 1f02 s ILE 678 N -1.08 4.63 -0.22 0.00 1.01 -0.30 -4.91 121.20 120.33 1f02 s ILE 678 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 1f02 s ILE 678 Cb -0.12 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1f02 s ILE 678 CO 0.10 0.47 0.11 -0.89 0.00 0.00 0.00 174.94 174.73 1f02 s THR 679 N 0.30 4.97 -0.15 2.92 2.01 -1.26 -0.83 115.64 123.60 1f02 s THR 679 Ca 0.02 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1f02 s THR 679 Cb -0.13 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1f02 s THR 679 CO 0.01 0.39 0.06 -0.31 -0.69 0.00 0.00 174.62 174.07 1f02 s TYR 680 N 0.91 3.29 -0.13 4.92 1.51 0.08 -1.66 117.35 126.27 1f02 s TYR 680 Ca 0.06 0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.30 1f02 s TYR 680 Cb -0.13 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1f02 s TYR 680 CO 0.03 0.33 -0.15 0.99 -1.11 0.00 0.00 175.55 175.63 1f02 s THR 681 N -0.16 1.60 0.18 -0.71 2.01 -0.15 -1.19 115.64 117.22 1f02 s THR 681 Ca 0.07 -0.68 0.10 0.00 0.31 0.00 0.00 61.69 61.49 1f02 s THR 681 Cb -0.12 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1f02 s THR 681 CO 0.01 0.46 -0.15 0.68 -0.69 0.00 0.00 174.62 174.94 1f02 s VAL 682 N 1.23 2.90 -0.11 3.82 -7.23 -0.59 -1.22 120.40 119.20 1f02 s VAL 682 Ca -0.00 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1f02 s VAL 682 Cb -0.14 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.40 1f02 s VAL 682 CO -0.07 -0.09 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.73 1f02 s LYS 683 N -2.71 2.23 -0.22 4.82 2.20 -0.29 -1.36 119.74 124.41 1f02 s LYS 683 Ca 0.23 -0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 55.21 1f02 s LYS 683 Cb -0.09 -1.88 -0.02 0.00 -1.51 0.00 0.00 37.83 34.33 1f02 s LYS 683 CO 0.13 -0.05 0.02 0.08 -0.36 0.00 0.00 175.35 175.17 1f02 s VAL 684 N 0.93 3.96 0.27 4.02 1.01 0.14 -1.22 120.40 129.52 1f02 s VAL 684 Ca -0.08 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.68 1f02 s VAL 684 Cb -0.15 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1f02 s VAL 684 CO -0.01 0.39 -0.07 -0.04 0.00 0.00 0.00 175.10 175.37 1f02 s MET 685 N 1.35 1.53 -0.43 2.72 -1.94 0.45 -1.32 119.30 121.67 1f02 s MET 685 Ca 0.05 -1.76 0.03 0.00 -1.71 0.00 0.00 55.69 52.29 1f02 s MET 685 Cb -0.15 -1.17 0.16 0.00 2.01 0.00 0.00 34.83 35.68 1f02 s MET 685 CO 0.01 0.07 0.31 0.21 -0.01 0.00 0.00 175.02 175.61 1f02 s LYS 686 N -3.71 1.00 6.58 2.03 2.20 -0.05 -2.19 119.74 125.60 1f02 s LYS 686 Ca 0.29 -2.01 0.00 0.00 -0.36 0.00 0.00 55.97 53.89 1f02 s LYS 686 Cb 0.03 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.67 1f02 s LYS 686 CO 0.11 -1.31 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 1f02 n GLY 687 N 3.15 1.29 0.13 5.54 0.00 -1.26 -2.56 105.19 111.48 1f02 n GLY 687 Ca 0.22 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1f02 n GLY 687 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1f02 h ASP 688 N 0.12 0.00 -2.87 1.61 3.45 -2.03 -3.45 116.42 113.26 1f02 h ASP 688 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 1f02 h ASP 688 Cb 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 1f02 h ASP 688 CO 0.00 0.45 0.95 -0.54 -1.57 0.00 0.00 179.24 178.53 1f02 s LYS 689 N -3.00 4.19 0.08 3.56 1.02 -1.06 -5.01 119.74 119.53 1f02 s LYS 689 Ca 0.01 1.73 -0.30 0.00 0.02 0.00 0.00 55.97 57.43 1f02 s LYS 689 Cb 0.08 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 1f02 s LYS 689 CO 0.77 -0.78 1.01 -1.25 -0.92 0.00 0.00 175.35 174.18 1f02 s PRO 690 N 3.68 4.62 0.00 -1.68 0.04 -1.26 -0.87 135.00 139.53 1f02 s PRO 690 Ca 0.59 1.51 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 1f02 s PRO 690 Cb -0.23 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 1f02 s PRO 690 CO 0.18 0.08 0.68 0.08 0.04 0.00 0.00 177.00 178.06 1f02 s VAL 691 N 0.35 4.86 0.25 -0.36 1.01 -0.43 -4.69 120.40 121.39 1f02 s VAL 691 Ca 0.50 1.44 0.10 0.00 0.00 0.00 0.00 61.98 64.01 1f02 s VAL 691 Cb -0.24 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1f02 s VAL 691 CO 0.30 0.36 -0.03 -0.94 0.00 0.00 0.00 175.10 174.79 1f02 s SER 692 N 0.06 4.43 -1.66 3.32 1.04 -1.26 -3.54 113.70 116.10 1f02 s SER 692 Ca 0.35 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1f02 s SER 692 Cb -0.19 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.14 1f02 s SER 692 CO 0.20 0.03 0.00 0.59 0.98 0.00 0.00 173.24 175.03 1f02 n ASN 693 N -0.68 -4.49 -4.71 7.02 3.02 0.14 -4.88 115.26 110.68 1f02 n ASN 693 Ca -0.07 0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 1f02 n ASN 693 Cb 0.58 -3.95 -0.03 0.00 -0.61 0.00 0.00 39.78 35.77 1f02 n ASN 693 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1f02 s GLN 694 N -3.30 4.53 -0.00 3.52 2.00 -1.26 -4.71 119.66 120.44 1f02 s GLN 694 Ca 0.00 1.32 -0.22 0.00 -2.00 0.00 0.00 55.36 54.46 1f02 s GLN 694 Cb 0.00 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.30 1f02 s GLN 694 CO 0.00 -0.03 0.66 -2.00 -0.50 0.00 0.00 175.29 173.42 1f02 s GLU 695 N 0.99 4.39 -0.01 1.67 2.12 -1.26 -1.25 118.70 125.36 1f02 s GLU 695 Ca 0.49 0.85 0.07 0.00 0.36 0.00 0.00 54.97 56.74 1f02 s GLU 695 Cb -0.20 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1f02 s GLU 695 CO 0.26 0.28 -0.21 0.08 -0.54 0.00 0.00 175.26 175.13 1f02 s VAL 696 N 0.04 2.50 -0.09 3.70 1.01 0.27 -1.59 120.40 126.25 1f02 s VAL 696 Ca 0.34 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1f02 s VAL 696 Cb -0.19 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1f02 s VAL 696 CO 0.19 0.53 -0.06 -0.89 0.00 0.00 0.00 175.10 174.87 1f02 s THR 697 N -0.71 3.76 0.30 3.92 2.01 0.92 -0.24 115.64 125.59 1f02 s THR 697 Ca 0.11 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 61.77 1f02 s THR 697 Cb -0.10 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 1f02 s THR 697 CO 0.01 0.58 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.12 1f02 s PHE 698 N -0.59 2.55 -0.25 4.92 0.40 0.95 -0.26 117.98 125.70 1f02 s PHE 698 Ca 0.09 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.86 1f02 s PHE 698 Cb -0.12 -1.27 0.06 0.00 0.51 0.00 0.00 43.02 42.21 1f02 s PHE 698 CO 0.02 0.58 0.67 0.95 0.70 0.00 0.00 175.22 178.14 1f02 s THR 699 N -2.44 -0.00 0.29 0.64 -4.23 -0.56 -4.78 115.64 104.56 1f02 s THR 699 Ca 0.32 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.91 1f02 s THR 699 Cb -0.04 -0.93 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 1f02 s THR 699 CO 0.19 0.00 -0.07 0.28 -0.54 0.00 0.00 174.62 174.48 1f02 s THR 700 N 0.36 1.74 -1.30 3.99 -1.32 -1.26 -0.26 115.64 117.59 1f02 s THR 700 Ca -0.00 -2.14 0.13 0.00 -1.21 0.00 0.00 61.69 58.46 1f02 s THR 700 Cb -0.05 -2.47 0.25 0.00 -1.51 0.00 0.00 72.50 68.72 1f02 s THR 700 CO 0.01 -0.29 1.13 0.35 -2.21 0.00 0.00 174.62 173.61 1f02 n THR 701 N -0.61 0.57 -3.62 5.08 -2.24 -1.23 -4.94 114.28 107.29 1f02 n THR 701 Ca -0.05 -0.79 -0.03 0.00 -2.27 0.00 0.00 64.05 60.91 1f02 n THR 701 Cb 0.63 0.83 -0.06 0.00 -2.10 0.00 0.00 70.33 69.63 1f02 n THR 701 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1f02 s LEU 702 N -1.03 -0.63 0.00 3.22 2.96 -1.26 -4.85 118.68 117.08 1f02 s LEU 702 Ca 0.22 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.11 1f02 s LEU 702 Cb 0.13 1.89 0.00 0.00 0.50 0.00 0.00 46.19 48.70 1f02 s LEU 702 CO 0.17 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 1f02 n GLY 703 N 4.04 -3.74 3.48 7.98 0.00 -1.26 -4.77 105.19 110.93 1f02 n GLY 703 Ca -0.18 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 1f02 n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f02 s LYS 704 N -0.88 3.46 0.18 1.61 -0.14 0.70 -4.94 119.74 119.74 1f02 s LYS 704 Ca 0.00 -0.56 -0.15 0.00 -1.36 0.00 0.00 55.97 53.90 1f02 s LYS 704 Cb 0.00 -2.80 -0.07 0.00 -1.68 0.00 0.00 37.83 33.28 1f02 s LYS 704 CO 0.00 0.30 0.59 -0.51 -0.76 0.00 0.00 175.35 174.98 1f02 s LEU 705 N 0.17 4.30 0.22 3.17 1.43 -1.26 -2.23 118.68 124.47 1f02 s LEU 705 Ca -0.03 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.11 1f02 s LEU 705 Cb -0.14 -3.44 0.19 0.00 0.03 0.00 0.00 46.19 42.82 1f02 s LEU 705 CO 0.03 0.04 1.88 0.77 0.23 0.00 0.00 176.35 179.30 1f02 h SER 706 N 3.30 0.99 -5.25 2.29 4.64 -1.66 -3.45 113.55 114.41 1f02 h SER 706 Ca -0.48 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 60.70 1f02 h SER 706 Cb 1.19 -0.25 -0.12 0.00 -0.31 0.00 0.00 62.40 62.91 1f02 h SER 706 CO 0.66 0.75 -0.25 0.20 -0.87 0.00 0.00 176.83 177.32 1f02 s ASN 707 N -6.03 -0.02 0.00 4.97 0.01 -1.26 -5.03 114.94 107.58 1f02 s ASN 707 Ca -0.13 -0.85 0.13 0.00 -0.71 0.00 0.00 52.86 51.30 1f02 s ASN 707 Cb 0.16 0.48 -0.03 0.00 0.41 0.00 0.00 41.25 42.27 1f02 s ASN 707 CO 0.80 -0.96 0.69 -1.54 -1.51 0.00 0.00 177.10 174.59 1f02 n SER 708 N -0.26 1.23 -3.87 -1.22 3.41 -1.26 -4.78 113.62 106.87 1f02 n SER 708 Ca -0.06 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.32 1f02 n SER 708 Cb 0.63 0.58 -0.11 0.00 -0.26 0.00 0.00 64.21 65.05 1f02 n SER 708 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1f02 s THR 709 N -1.71 0.07 0.04 6.66 -4.23 -1.26 -0.03 115.64 115.17 1f02 s THR 709 Ca 0.09 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 59.89 1f02 s THR 709 Cb 0.10 -0.36 0.03 0.00 1.34 0.00 0.00 72.50 73.61 1f02 s THR 709 CO 0.36 -0.30 0.38 -1.61 -0.54 0.00 0.00 174.62 172.90 1f02 s GLU 710 N -1.03 0.88 -0.11 3.99 0.41 0.66 -4.95 118.70 118.55 1f02 s GLU 710 Ca -0.11 -0.40 -0.01 0.00 -0.41 0.00 0.00 54.97 54.03 1f02 s GLU 710 Cb -0.06 0.39 -0.03 0.00 -1.78 0.00 0.00 34.13 32.65 1f02 s GLU 710 CO 0.01 -0.29 -0.05 0.15 -0.49 0.00 0.00 175.26 174.58 1f02 s LYS 711 N -2.46 3.16 0.63 1.61 1.02 -1.26 0.95 119.74 123.39 1f02 s LYS 711 Ca -0.05 -0.53 -0.17 0.00 0.02 0.00 0.00 55.97 55.23 1f02 s LYS 711 Cb -0.01 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1f02 s LYS 711 CO -0.02 0.49 1.19 0.95 -0.92 0.00 0.00 175.35 177.04 1f02 s THR 712 N -0.32 2.66 0.16 2.17 -4.23 -0.38 -4.77 115.64 110.93 1f02 s THR 712 Ca 0.05 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1f02 s THR 712 Cb -0.12 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.69 1f02 s THR 712 CO 0.02 -0.12 0.22 -0.90 -0.54 0.00 0.00 174.62 173.30 1f02 n ASP 713 N -1.94 0.02 0.00 3.99 3.85 0.72 -0.68 116.55 122.51 1f02 n ASP 713 Ca 0.13 -1.08 0.07 0.00 -0.71 0.00 0.00 54.79 53.20 1f02 n ASP 713 Cb 0.50 -0.17 0.29 0.00 -1.35 0.00 0.00 41.12 40.39 1f02 n ASP 713 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1f02 n THR 714 N -2.30 1.06 0.55 2.12 -2.24 -1.26 -1.82 114.28 110.38 1f02 n THR 714 Ca 0.03 0.27 0.11 0.00 -2.27 0.00 0.00 64.05 62.18 1f02 n THR 714 Cb 0.10 -1.03 0.15 0.00 -2.10 0.00 0.00 70.33 67.45 1f02 n THR 714 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1f02 n ASN 715 N -1.50 3.13 0.00 3.42 5.03 -1.26 -4.72 115.26 119.36 1f02 n ASN 715 Ca 0.03 -1.94 0.00 0.00 0.87 0.00 0.00 54.58 53.54 1f02 n ASN 715 Cb 0.16 -0.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 1f02 n ASN 715 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f02 n GLY 716 N 1.32 0.51 3.74 7.41 0.00 -0.76 -4.78 105.19 112.64 1f02 n GLY 716 Ca 0.16 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 1f02 n GLY 716 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f02 s TYR 717 N -2.00 3.07 -0.22 1.61 4.12 -1.26 0.28 117.35 122.95 1f02 s TYR 717 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.07 57.03 1f02 s TYR 717 Cb 0.00 -1.52 0.12 0.00 -1.52 0.00 0.00 41.96 39.03 1f02 s TYR 717 CO 0.00 0.51 0.38 0.00 0.02 0.00 0.00 175.55 176.46 1f02 s ALA 718 N -1.55 -1.07 0.31 3.71 0.00 -0.46 -0.20 121.76 122.50 1f02 s ALA 718 Ca 0.29 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.39 1f02 s ALA 718 Cb -0.11 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1f02 s ALA 718 CO 0.21 -1.06 0.45 0.15 0.00 0.00 0.00 175.76 175.51 1f02 s LYS 719 N 2.56 3.24 0.12 0.00 1.02 -1.26 -1.55 119.74 123.87 1f02 s LYS 719 Ca 0.07 -0.87 -0.25 0.00 0.02 0.00 0.00 55.97 54.95 1f02 s LYS 719 Cb -0.14 -2.82 0.07 0.00 -0.52 0.00 0.00 37.83 34.42 1f02 s LYS 719 CO -0.14 0.17 0.63 0.54 -0.92 0.00 0.00 175.35 175.62 1f02 s VAL 720 N -2.14 0.00 0.26 3.17 0.11 -0.33 -4.97 120.40 116.49 1f02 s VAL 720 Ca 0.41 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.54 1f02 s VAL 720 Cb -0.09 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.70 1f02 s VAL 720 CO 0.31 0.00 -0.12 0.42 -3.33 0.00 0.00 175.10 172.38 1f02 s THR 721 N -3.29 1.86 0.01 5.04 -4.23 -1.26 -0.74 115.64 113.04 1f02 s THR 721 Ca -0.01 -2.21 -0.00 0.00 -1.18 0.00 0.00 61.69 58.29 1f02 s THR 721 Cb -0.01 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 1f02 s THR 721 CO -0.09 -0.42 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.34 1f02 s LEU 722 N -3.42 2.13 0.18 4.79 2.96 -0.01 -1.54 118.68 123.77 1f02 s LEU 722 Ca 0.27 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.73 1f02 s LEU 722 Cb 0.01 0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.80 1f02 s LEU 722 CO 0.11 -0.22 0.34 0.42 -1.32 0.00 0.00 176.35 175.68 1f02 s THR 723 N -1.06 0.05 -0.07 3.68 -4.23 -0.95 -1.15 115.64 111.92 1f02 s THR 723 Ca -0.12 -1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 58.89 1f02 s THR 723 Cb -0.07 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.94 1f02 s THR 723 CO -0.01 -0.22 0.45 -0.55 -0.54 0.00 0.00 174.62 173.75 1f02 s SER 724 N -2.97 -0.39 -0.01 3.99 0.15 -1.26 -0.21 113.70 113.00 1f02 s SER 724 Ca 0.17 0.48 0.21 0.00 0.70 0.00 0.00 55.95 57.52 1f02 s SER 724 Cb 0.02 0.55 -0.26 0.00 -1.71 0.00 0.00 66.02 64.62 1f02 s SER 724 CO 0.01 -0.41 0.77 0.35 1.20 0.00 0.00 173.24 175.17 1f02 n THR 725 N 1.62 0.00 -4.32 6.45 -2.24 -1.26 -1.30 114.28 113.22 1f02 n THR 725 Ca -0.19 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1f02 n THR 725 Cb 0.56 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.39 1f02 n THR 725 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1f02 s THR 726 N -3.15 2.73 1.05 4.28 -4.23 -1.26 -4.68 115.64 110.39 1f02 s THR 726 Ca 0.03 -1.57 -0.16 0.00 -1.18 0.00 0.00 61.69 58.81 1f02 s THR 726 Cb 0.15 -2.25 0.22 0.00 1.34 0.00 0.00 72.50 71.96 1f02 s THR 726 CO 0.88 0.09 1.17 -2.16 -0.54 0.00 0.00 174.62 174.05 1f02 s PRO 727 N -2.16 -0.03 0.00 3.99 0.04 -1.26 -4.82 135.00 130.75 1f02 s PRO 727 Ca 0.17 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1f02 s PRO 727 Cb -0.10 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1f02 s PRO 727 CO 0.09 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1f02 n GLY 728 N -1.97 0.73 3.45 0.56 0.00 -0.19 -4.91 105.19 102.86 1f02 n GLY 728 Ca 0.11 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1f02 n GLY 728 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f02 s LYS 729 N -1.08 3.54 -0.25 1.61 1.02 -1.26 -0.29 119.74 123.04 1f02 s LYS 729 Ca 0.00 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.30 1f02 s LYS 729 Cb 0.00 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 1f02 s LYS 729 CO 0.00 -0.28 0.26 0.45 -0.92 0.00 0.00 175.35 174.86 1f02 s SER 730 N 1.62 6.17 -0.62 2.83 0.15 -0.55 -4.72 113.70 118.59 1f02 s SER 730 Ca 0.06 0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 1f02 s SER 730 Cb -0.16 -2.16 0.16 0.00 -1.71 0.00 0.00 66.02 62.15 1f02 s SER 730 CO 0.05 -0.06 0.46 -0.22 1.20 0.00 0.00 173.24 174.68 1f02 s LEU 731 N 1.57 5.57 0.53 3.45 0.20 -1.26 -2.43 118.68 126.31 1f02 s LEU 731 Ca 0.11 -2.62 -0.15 0.00 0.69 0.00 0.00 54.13 52.16 1f02 s LEU 731 Cb -0.15 -1.93 -0.07 0.00 -0.43 0.00 0.00 46.19 43.60 1f02 s LEU 731 CO 0.08 -0.47 0.99 -0.69 -0.29 0.00 0.00 176.35 175.98 1f02 s VAL 732 N 0.29 4.58 -0.19 1.68 1.01 -1.26 -3.49 120.40 123.02 1f02 s VAL 732 Ca 0.15 1.13 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 1f02 s VAL 732 Cb -0.20 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.51 1f02 s VAL 732 CO -0.04 -0.78 0.41 -0.55 0.00 0.00 0.00 175.10 174.14 1f02 s SER 733 N -3.31 -0.35 0.25 3.32 0.15 0.64 -1.18 113.70 113.22 1f02 s SER 733 Ca 0.58 0.95 0.06 0.00 0.70 0.00 0.00 55.95 58.23 1f02 s SER 733 Cb -0.10 1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 65.27 1f02 s SER 733 CO 0.36 -0.22 0.31 0.00 1.20 0.00 0.00 173.24 174.89 1f02 s ALA 734 N 2.10 3.83 -0.17 5.45 0.00 -0.62 -1.49 121.76 130.85 1f02 s ALA 734 Ca -0.05 -1.30 -0.19 0.00 0.00 0.00 0.00 51.96 50.42 1f02 s ALA 734 Cb -0.10 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.48 1f02 s ALA 734 CO -0.13 0.23 0.52 0.50 0.00 0.00 0.00 175.76 176.89 1f02 s ARG 735 N -3.94 0.65 -0.23 0.00 3.52 0.64 -1.03 118.95 118.56 1f02 s ARG 735 Ca 0.34 0.63 -0.29 0.00 -0.13 0.00 0.00 55.73 56.28 1f02 s ARG 735 Cb -0.09 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.62 1f02 s ARG 735 CO 0.28 -0.10 1.22 0.08 -0.81 0.00 0.00 175.30 175.97 1f02 s VAL 736 N 0.06 4.33 0.00 7.11 1.01 -1.26 -0.06 120.40 131.60 1f02 s VAL 736 Ca -0.02 1.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.53 1f02 s VAL 736 Cb -0.04 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 1f02 s VAL 736 CO 0.02 -0.29 0.50 -1.20 0.00 0.00 0.00 175.10 174.13 1f02 n SER 737 N 6.90 -0.02 0.00 3.32 7.64 -0.62 -0.35 113.62 130.49 1f02 n SER 737 Ca 0.14 0.51 0.03 0.00 1.01 0.00 0.00 58.87 60.55 1f02 n SER 737 Cb 0.46 -0.24 0.15 0.00 -1.01 0.00 0.00 64.21 63.57 1f02 n SER 737 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1f02 n ASP 738 N -2.56 0.00 -4.48 6.43 5.75 -1.26 -4.74 116.55 115.68 1f02 n ASP 738 Ca 0.00 -0.27 -0.26 0.00 -0.01 0.00 0.00 54.79 54.25 1f02 n ASP 738 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1f02 n ASP 738 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1f02 s VAL 739 N -2.00 2.65 -0.06 2.12 1.01 0.52 -5.09 120.40 119.56 1f02 s VAL 739 Ca 0.08 -2.02 -0.10 0.00 0.00 0.00 0.00 61.98 59.93 1f02 s VAL 739 Cb 0.04 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 1f02 s VAL 739 CO 0.06 -0.20 0.43 0.00 0.00 0.00 0.00 175.10 175.39 1f02 h ALA 740 N 2.83 -0.37 -2.72 5.51 0.00 -1.85 -3.43 119.26 119.22 1f02 h ALA 740 Ca -0.45 -0.08 -0.50 0.00 0.00 0.00 0.00 54.91 53.88 1f02 h ALA 740 Cb 1.22 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1f02 h ALA 740 CO 0.53 -0.35 0.42 0.08 0.00 0.00 0.00 179.25 179.93 1f02 s VAL 741 N -2.76 3.90 0.34 0.00 1.01 -1.26 -5.03 120.40 116.59 1f02 s VAL 741 Ca -0.05 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.78 1f02 s VAL 741 Cb 0.01 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1f02 s VAL 741 CO 0.16 0.39 0.41 -0.90 0.00 0.00 0.00 175.10 175.16 1f02 n ASP 742 N 1.76 1.46 -3.92 3.32 3.85 -1.26 -4.65 116.55 117.10 1f02 n ASP 742 Ca -0.00 -1.96 -0.21 0.00 -0.71 0.00 0.00 54.79 51.91 1f02 n ASP 742 Cb 0.46 -0.19 -0.16 0.00 -1.35 0.00 0.00 41.12 39.88 1f02 n ASP 742 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1f02 s VAL 743 N -1.25 0.68 0.01 2.12 1.01 -0.20 -5.01 120.40 117.76 1f02 s VAL 743 Ca 0.31 -0.21 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1f02 s VAL 743 Cb -0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1f02 s VAL 743 CO 0.20 0.26 0.73 -0.54 0.00 0.00 0.00 175.10 175.74 1f02 s LYS 744 N 0.87 4.45 0.65 2.72 3.01 -1.26 -1.58 119.74 128.60 1f02 s LYS 744 Ca -0.12 0.97 -0.07 0.00 -1.01 0.00 0.00 55.97 55.75 1f02 s LYS 744 Cb -0.15 -3.38 0.03 0.00 -1.01 0.00 0.00 37.83 33.32 1f02 s LYS 744 CO 0.01 0.24 0.97 0.00 0.51 0.00 0.00 175.35 177.08 1f02 s ALA 745 N 0.14 3.18 0.49 5.17 0.00 -0.33 -4.98 121.76 125.44 1f02 s ALA 745 Ca 0.37 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 1f02 s ALA 745 Cb -0.19 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.20 1f02 s ALA 745 CO 0.21 -1.05 1.28 -1.25 0.00 0.00 0.00 175.76 174.95 1f02 s PRO 746 N -5.15 3.54 0.45 0.00 0.04 -1.26 -4.67 135.00 127.95 1f02 s PRO 746 Ca 0.57 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 63.42 1f02 s PRO 746 Cb -0.11 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1f02 s PRO 746 CO 0.46 -0.81 1.29 0.39 0.04 0.00 0.00 177.00 178.36 1f02 n GLU 747 N -0.59 1.89 -4.28 4.56 1.02 -1.26 -4.70 120.64 117.28 1f02 n GLU 747 Ca 0.08 0.68 -0.15 0.00 -0.02 0.00 0.00 57.16 57.74 1f02 n GLU 747 Cb 0.46 -2.43 -0.10 0.00 -0.02 0.00 0.00 31.44 29.35 1f02 n GLU 747 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1f02 s VAL 748 N -1.23 1.01 -0.02 2.62 -7.23 -1.02 -4.94 120.40 109.60 1f02 s VAL 748 Ca 0.63 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1f02 s VAL 748 Cb -0.48 -2.09 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1f02 s VAL 748 CO 0.56 -0.53 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.11 1f02 s GLU 749 N -3.83 0.97 -0.11 4.82 2.02 -0.72 -1.49 118.70 120.37 1f02 s GLU 749 Ca 0.23 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.85 1f02 s GLU 749 Cb 0.04 -0.92 -0.03 0.00 0.10 0.00 0.00 34.13 33.33 1f02 s GLU 749 CO 0.04 0.17 -0.06 -0.06 0.02 0.00 0.00 175.26 175.37 1f02 s PHE 750 N -0.00 2.96 0.03 1.61 0.08 0.61 -1.85 117.98 121.42 1f02 s PHE 750 Ca -0.00 -0.17 0.05 0.00 0.12 0.00 0.00 56.93 56.93 1f02 s PHE 750 Cb -0.07 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1f02 s PHE 750 CO 0.00 0.13 -0.16 -0.06 -0.10 0.00 0.00 175.22 175.04 1f02 s PHE 751 N -0.22 1.38 0.64 0.36 0.08 0.03 -1.03 117.98 119.21 1f02 s PHE 751 Ca 0.03 -0.34 -0.17 0.00 0.12 0.00 0.00 56.93 56.58 1f02 s PHE 751 Cb -0.13 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1f02 s PHE 751 CO 0.03 0.04 1.16 0.95 -0.10 0.00 0.00 175.22 177.29 1f02 s THR 752 N -0.74 2.89 0.09 0.64 -4.23 -1.26 -0.31 115.64 112.72 1f02 s THR 752 Ca 0.04 0.48 -0.36 0.00 -1.18 0.00 0.00 61.69 60.66 1f02 s THR 752 Cb -0.08 -3.07 -0.16 0.00 1.34 0.00 0.00 72.50 70.54 1f02 s THR 752 CO 0.01 -0.20 1.45 0.41 -0.54 0.00 0.00 174.62 175.75 1f02 n THR 753 N -2.08 0.03 -2.94 3.99 -1.04 -1.26 -2.03 114.28 108.95 1f02 n THR 753 Ca 0.12 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.73 1f02 n THR 753 Cb 0.51 -1.08 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 1f02 n THR 753 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1f02 s LEU 754 N 0.85 4.59 0.08 -4.42 2.96 -1.26 -4.31 118.68 117.17 1f02 s LEU 754 Ca 0.84 1.68 -0.14 0.00 -0.22 0.00 0.00 54.13 56.29 1f02 s LEU 754 Cb -0.87 -3.34 0.02 0.00 0.50 0.00 0.00 46.19 42.50 1f02 s LEU 754 CO 0.45 0.18 0.31 0.42 -1.32 0.00 0.00 176.35 176.40 1f02 s THR 755 N -1.05 0.09 -0.35 3.68 -4.23 0.20 -4.62 115.64 109.36 1f02 s THR 755 Ca 0.37 -0.75 -0.09 0.00 -1.18 0.00 0.00 61.69 60.04 1f02 s THR 755 Cb -0.23 -1.10 0.03 0.00 1.34 0.00 0.00 72.50 72.54 1f02 s THR 755 CO 0.27 -0.41 0.15 -0.63 -0.54 0.00 0.00 174.62 173.45 1f02 s ILE 756 N -3.21 4.19 -0.44 2.99 1.01 -1.26 0.14 121.20 124.61 1f02 s ILE 756 Ca -0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1f02 s ILE 756 Cb 0.01 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1f02 s ILE 756 CO -0.08 -0.16 1.63 -0.62 0.00 0.00 0.00 174.94 175.71 1f02 s ASP 757 N 1.49 5.95 0.00 3.58 2.15 0.55 -4.82 116.67 125.57 1f02 s ASP 757 Ca 0.01 0.82 0.22 0.00 0.43 0.00 0.00 52.55 54.03 1f02 s ASP 757 Cb -0.19 -2.53 1.33 0.00 -0.30 0.00 0.00 42.92 41.23 1f02 s ASP 757 CO 0.05 -1.75 1.72 -0.90 -0.17 0.00 0.00 175.17 174.12 1f02 n ASP 758 N 10.16 0.00 -0.10 -0.34 3.85 -1.26 -3.03 116.55 125.84 1f02 n ASP 758 Ca 0.19 -0.78 -0.11 0.00 -0.71 0.00 0.00 54.79 53.38 1f02 n ASP 758 Cb 0.48 0.00 -0.14 0.00 -1.35 0.00 0.00 41.12 40.12 1f02 n ASP 758 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1f02 n GLY 759 N 0.46 -0.75 2.43 6.12 0.00 -1.26 -4.21 105.19 107.98 1f02 n GLY 759 Ca 0.17 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1f02 n GLY 759 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1f02 n ASN 760 N -2.81 7.01 -4.57 1.61 5.15 -1.17 -2.50 115.26 117.99 1f02 n ASN 760 Ca -0.33 -3.46 -0.43 0.00 -0.60 0.00 0.00 54.58 49.76 1f02 n ASN 760 Cb 1.06 -1.10 -0.04 0.00 -0.53 0.00 0.00 39.78 39.17 1f02 n ASN 760 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f02 s ILE 761 N -3.53 4.46 0.08 -1.44 1.01 -1.07 -4.44 121.20 116.28 1f02 s ILE 761 Ca 0.52 0.75 -0.27 0.00 0.00 0.00 0.00 60.65 61.66 1f02 s ILE 761 Cb 0.39 -4.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1f02 s ILE 761 CO -0.17 -0.85 0.83 -0.70 0.00 0.00 0.00 174.94 174.04 1f02 s GLU 762 N 3.78 4.57 -0.54 2.79 2.12 -1.01 -1.48 118.70 128.93 1f02 s GLU 762 Ca 0.37 1.19 -0.21 0.00 0.36 0.00 0.00 54.97 56.69 1f02 s GLU 762 Cb -0.10 -3.35 0.06 0.00 0.26 0.00 0.00 34.13 30.99 1f02 s GLU 762 CO 0.27 0.30 0.77 0.42 -0.54 0.00 0.00 175.26 176.47 1f02 s ILE 763 N -0.18 4.66 0.22 -3.70 1.01 0.10 -0.27 121.20 123.04 1f02 s ILE 763 Ca 0.41 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 1f02 s ILE 763 Cb -0.22 -4.42 0.31 0.00 0.01 0.00 0.00 42.46 38.14 1f02 s ILE 763 CO 0.25 -0.98 1.31 0.52 0.00 0.00 0.00 174.94 176.04 1f02 n VAL 764 N 5.84 -0.39 0.17 2.92 0.31 -0.77 0.31 118.33 126.72 1f02 n VAL 764 Ca -0.04 1.95 -0.09 0.00 -0.01 0.00 0.00 64.34 66.16 1f02 n VAL 764 Cb 0.46 -2.65 -0.04 0.00 -0.91 0.00 0.00 33.84 30.69 1f02 n VAL 764 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1f02 h GLY 765 N 0.00 -0.86 0.12 2.92 0.00 -1.78 -3.36 103.07 100.11 1f02 h GLY 765 Ca 0.36 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 48.05 1f02 h GLY 765 CO -0.86 -0.29 -0.06 -0.91 0.00 0.00 0.00 176.54 174.43 1f02 h THR 766 N -0.51 0.00 0.00 4.70 1.35 -1.57 -3.48 112.91 113.40 1f02 h THR 766 Ca -0.04 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1f02 h THR 766 Cb 0.42 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1f02 h THR 766 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1f02 n GLY 767 N 0.23 0.70 3.79 5.82 0.00 0.15 -5.03 105.19 110.85 1f02 n GLY 767 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1f02 n GLY 767 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f02 s VAL 768 N -1.63 3.66 -0.06 1.61 1.01 -1.26 -4.67 120.40 119.07 1f02 s VAL 768 Ca 0.00 1.14 0.05 0.00 0.00 0.00 0.00 61.98 63.18 1f02 s VAL 768 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1f02 s VAL 768 CO 0.00 -0.12 -0.22 -0.54 0.00 0.00 0.00 175.10 174.22 1f02 s LYS 769 N -2.90 2.40 0.00 2.72 1.02 -1.26 0.02 119.74 121.74 1f02 s LYS 769 Ca 0.64 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1f02 s LYS 769 Cb -0.20 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1f02 s LYS 769 CO 0.25 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1f02 n GLY 770 N 3.11 -1.23 3.50 -3.33 0.00 -0.55 -4.80 105.19 101.88 1f02 n GLY 770 Ca -0.18 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1f02 n GLY 770 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f02 n LYS 771 N 0.00 -0.60 -2.32 1.61 4.01 -1.24 -2.59 118.16 117.03 1f02 n LYS 771 Ca 0.00 -0.13 -0.42 0.00 -0.51 0.00 0.00 58.31 57.25 1f02 n LYS 771 Cb 0.00 -2.04 -0.03 0.00 -0.51 0.00 0.00 35.03 32.45 1f02 n LYS 771 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1f02 s LEU 772 N -3.40 4.35 0.60 -0.35 2.96 -1.26 -4.88 118.68 116.69 1f02 s LEU 772 Ca 0.61 2.09 -0.18 0.00 -0.22 0.00 0.00 54.13 56.43 1f02 s LEU 772 Cb -0.21 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.84 1f02 s LEU 772 CO 0.64 -0.59 0.67 -2.65 -1.32 0.00 0.00 176.35 173.10 1f02 n PRO 773 N 4.43 0.60 0.00 0.98 -0.02 -1.26 -4.90 135.00 134.84 1f02 n PRO 773 Ca 0.11 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 1f02 n PRO 773 Cb 0.45 -1.87 0.24 0.00 -0.02 0.00 0.00 33.50 32.30 1f02 n PRO 773 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1f02 n THR 774 N -1.79 0.00 -3.98 3.45 -2.24 -1.26 -4.72 114.28 103.74 1f02 n THR 774 Ca 0.12 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 1f02 n THR 774 Cb 0.48 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 69.42 1f02 n THR 774 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1f02 s VAL 775 N -2.33 1.83 -0.21 2.28 1.01 -1.26 -1.42 120.40 120.30 1f02 s VAL 775 Ca 0.25 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 1f02 s VAL 775 Cb 0.19 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1f02 s VAL 775 CO 0.47 -0.23 0.14 0.26 0.00 0.00 0.00 175.10 175.74 1f02 s TRP 776 N 1.22 3.38 -0.87 5.22 0.51 -0.87 -4.95 118.94 122.59 1f02 s TRP 776 Ca -0.02 0.30 -0.20 0.00 -2.12 0.00 0.00 56.10 54.06 1f02 s TRP 776 Cb -0.19 -2.19 0.11 0.00 -0.81 0.00 0.00 33.47 30.38 1f02 s TRP 776 CO -0.08 0.23 1.11 -1.17 -0.51 0.00 0.00 176.95 176.53 1f02 s LEU 777 N 0.56 4.72 0.04 2.99 2.96 -1.26 0.93 118.68 129.62 1f02 s LEU 777 Ca 0.08 -1.70 -0.26 0.00 -0.22 0.00 0.00 54.13 52.03 1f02 s LEU 777 Cb -0.12 -2.42 -0.14 0.00 0.50 0.00 0.00 46.19 44.02 1f02 s LEU 777 CO -0.00 -1.21 0.65 1.67 -1.32 0.00 0.00 176.35 176.14 1f02 n GLN 778 N 7.09 0.00 -0.94 1.98 7.27 -0.20 -0.36 117.38 132.22 1f02 n GLN 778 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1f02 n GLN 778 Cb 0.48 -0.97 0.00 0.00 2.41 0.00 0.00 30.24 32.17 1f02 n GLN 778 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1f02 n TYR 779 N 0.78 0.00 -1.75 3.69 4.01 0.52 -4.97 117.16 119.44 1f02 n TYR 779 Ca 0.14 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.59 1f02 n TYR 779 Cb 0.09 -0.24 0.13 0.00 -0.31 0.00 0.00 39.34 39.00 1f02 n TYR 779 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1f02 s GLY 780 N -2.49 1.62 -0.04 2.72 0.00 0.51 -4.63 107.32 105.01 1f02 s GLY 780 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 1f02 s GLY 780 CO 0.00 -0.14 0.13 1.20 0.00 0.00 0.00 173.10 174.30 1f02 s GLN 781 N -5.52 0.21 0.16 2.90 -0.21 -1.26 -2.15 119.66 113.77 1f02 s GLN 781 Ca 0.65 0.10 0.02 0.00 0.02 0.00 0.00 55.36 56.15 1f02 s GLN 781 Cb -0.11 0.09 -0.05 0.00 1.00 0.00 0.00 33.01 33.95 1f02 s GLN 781 CO 0.51 -0.03 -0.03 0.14 -2.12 0.00 0.00 175.29 173.76 1f02 s VAL 782 N -0.15 0.78 -0.25 1.09 -7.23 -0.28 -1.84 120.40 112.52 1f02 s VAL 782 Ca -0.02 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1f02 s VAL 782 Cb -0.02 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.95 1f02 s VAL 782 CO 0.00 -0.59 -0.07 0.20 -0.31 0.00 0.00 175.10 174.33 1f02 s ASN 783 N -3.15 4.26 0.24 4.85 0.02 0.63 -0.35 114.94 121.43 1f02 s ASN 783 Ca 0.21 -0.89 -0.28 0.00 -1.02 0.00 0.00 52.86 50.87 1f02 s ASN 783 Cb 0.05 -1.65 -0.09 0.00 0.02 0.00 0.00 41.25 39.59 1f02 s ASN 783 CO 0.02 -0.12 0.90 -0.76 0.02 0.00 0.00 177.10 177.15 1f02 s LEU 784 N 1.31 4.57 -0.21 0.60 1.02 -0.72 -2.40 118.68 122.85 1f02 s LEU 784 Ca -0.00 1.85 -0.00 0.00 0.02 0.00 0.00 54.13 56.00 1f02 s LEU 784 Cb -0.17 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.45 1f02 s LEU 784 CO -0.05 0.13 -0.13 -0.54 0.02 0.00 0.00 176.35 175.78 1f02 s LYS 785 N -1.35 2.95 0.22 1.70 -0.14 -1.26 -4.77 119.74 117.08 1f02 s LYS 785 Ca 0.42 -0.88 -0.13 0.00 -1.36 0.00 0.00 55.97 54.02 1f02 s LYS 785 Cb -0.24 -2.78 -0.08 0.00 -1.68 0.00 0.00 37.83 33.06 1f02 s LYS 785 CO 0.29 -0.29 0.60 0.00 -0.76 0.00 0.00 175.35 175.20 1f02 s ALA 786 N 1.31 3.50 -0.04 5.17 0.00 -1.26 -0.33 121.76 130.11 1f02 s ALA 786 Ca 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1f02 s ALA 786 Cb -0.15 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1f02 s ALA 786 CO -0.08 0.44 -0.07 0.45 0.00 0.00 0.00 175.76 176.49 1f02 s SER 787 N -2.08 1.14 0.00 0.00 0.15 0.36 -4.91 113.70 108.37 1f02 s SER 787 Ca 0.45 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1f02 s SER 787 Cb -0.13 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1f02 s SER 787 CO 0.20 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1f02 n GLY 788 N 3.70 0.24 7.00 9.45 0.00 -1.26 0.59 105.19 124.90 1f02 n GLY 788 Ca -0.22 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1f02 n GLY 788 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f02 n GLY 789 N 0.00 1.65 0.82 -0.02 0.00 -0.86 -3.10 105.19 103.68 1f02 n GLY 789 Ca 0.00 -0.37 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1f02 n GLY 789 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f02 n ASN 790 N -1.52 3.51 0.00 1.61 2.04 -1.26 -4.40 115.26 115.23 1f02 n ASN 790 Ca 0.00 -2.51 0.00 0.00 -0.44 0.00 0.00 54.58 51.63 1f02 n ASN 790 Cb 0.00 -0.40 0.00 0.00 -2.53 0.00 0.00 39.78 36.85 1f02 n ASN 790 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1f02 n GLY 791 N 0.07 2.97 3.71 4.83 0.00 -1.18 -4.98 105.19 110.62 1f02 n GLY 791 Ca 0.17 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1f02 n GLY 791 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f02 s LYS 792 N 0.00 4.52 0.08 1.61 2.20 -1.26 -5.03 119.74 121.86 1f02 s LYS 792 Ca 0.00 1.59 0.03 0.00 -0.36 0.00 0.00 55.97 57.23 1f02 s LYS 792 Cb 0.00 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1f02 s LYS 792 CO 0.00 -0.10 -0.10 0.71 -0.36 0.00 0.00 175.35 175.50 1f02 s TYR 793 N 0.85 0.96 -0.06 4.03 1.51 -1.26 -2.82 117.35 120.56 1f02 s TYR 793 Ca 0.54 -0.62 -0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1f02 s TYR 793 Cb -0.25 -0.54 0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1f02 s TYR 793 CO 0.29 -0.03 0.14 0.95 -1.11 0.00 0.00 175.55 175.79 1f02 s THR 794 N -2.18 -0.04 0.38 -0.71 -4.23 -1.04 -4.75 115.64 103.07 1f02 s THR 794 Ca 0.01 0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.77 1f02 s THR 794 Cb -0.05 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.54 1f02 s THR 794 CO -0.00 0.07 0.32 0.26 -0.54 0.00 0.00 174.62 174.72 1f02 s TRP 795 N 1.05 2.78 -0.18 3.99 0.52 0.34 -1.82 118.94 125.62 1f02 s TRP 795 Ca -0.08 -0.41 -0.25 0.00 0.02 0.00 0.00 56.10 55.38 1f02 s TRP 795 Cb -0.11 -1.97 0.06 0.00 -1.15 0.00 0.00 33.47 30.31 1f02 s TRP 795 CO -0.05 0.05 0.66 0.50 0.02 0.00 0.00 176.95 178.13 1f02 s ARG 796 N -4.04 0.86 -0.08 4.98 3.00 -0.19 -4.55 118.95 118.91 1f02 s ARG 796 Ca 0.44 0.69 -0.01 0.00 -1.00 0.00 0.00 55.73 55.85 1f02 s ARG 796 Cb -0.04 0.41 -0.03 0.00 0.00 0.00 0.00 34.95 35.29 1f02 s ARG 796 CO 0.27 -0.17 -0.03 0.45 0.00 0.00 0.00 175.30 175.82 1f02 s SER 797 N -0.17 4.97 0.00 -2.12 0.15 -1.26 -0.52 113.70 114.75 1f02 s SER 797 Ca -0.04 0.06 0.20 0.00 0.70 0.00 0.00 55.95 56.87 1f02 s SER 797 Cb -0.03 -1.37 1.21 0.00 -1.71 0.00 0.00 66.02 64.11 1f02 s SER 797 CO 0.04 0.36 1.71 0.00 1.20 0.00 0.00 173.24 176.54 1f02 n ALA 798 N 2.28 2.52 -2.69 5.45 0.00 -1.04 -4.37 120.51 122.65 1f02 n ALA 798 Ca -0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 1f02 n ALA 798 Cb 0.53 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.68 1f02 n ALA 798 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1f02 s ASN 799 N -1.74 -0.41 0.31 0.00 3.04 -1.26 -4.93 114.94 109.95 1f02 s ASN 799 Ca 0.30 -0.47 0.10 0.00 0.04 0.00 0.00 52.86 52.83 1f02 s ASN 799 Cb 0.14 0.54 0.52 0.00 -1.54 0.00 0.00 41.25 40.91 1f02 s ASN 799 CO 0.23 -0.02 1.15 -2.65 -3.04 0.00 0.00 177.10 172.78 1f02 n PRO 800 N 2.74 0.07 0.06 0.43 -0.02 -1.23 -1.51 135.00 135.55 1f02 n PRO 800 Ca 0.12 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1f02 n PRO 800 Cb 0.64 -2.12 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 1f02 n PRO 800 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f02 h ALA 801 N 0.91 -0.23 -0.30 3.55 0.00 -1.97 -3.34 119.26 117.88 1f02 h ALA 801 Ca 0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1f02 h ALA 801 Cb 0.80 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1f02 h ALA 801 CO 0.00 -0.32 -0.33 0.82 0.00 0.00 0.00 179.25 179.42 1f02 h ILE 802 N -0.86 1.30 -2.50 0.00 2.04 -1.53 -3.04 117.51 112.92 1f02 h ILE 802 Ca -0.02 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.24 1f02 h ILE 802 Cb 0.52 1.57 -0.24 0.00 -0.74 0.00 0.00 36.82 37.93 1f02 h ILE 802 CO 0.04 0.49 -0.16 0.00 0.00 0.00 0.00 178.15 178.51 1f02 s ALA 803 N -4.33 -1.26 0.28 1.87 0.00 -1.02 -0.59 121.76 116.71 1f02 s ALA 803 Ca -0.12 1.59 0.10 0.00 0.00 0.00 0.00 51.96 53.53 1f02 s ALA 803 Cb 0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 1f02 s ALA 803 CO 0.84 -0.27 -0.05 -1.54 0.00 0.00 0.00 175.76 174.75 1f02 s SER 804 N 0.82 4.26 -0.03 0.00 1.04 -0.80 -3.47 113.70 115.52 1f02 s SER 804 Ca -0.04 -0.79 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 1f02 s SER 804 Cb -0.05 -0.66 0.01 0.00 0.10 0.00 0.00 66.02 65.41 1f02 s SER 804 CO -0.06 -0.03 0.10 0.54 0.98 0.00 0.00 173.24 174.77 1f02 s VAL 805 N -2.40 0.02 0.12 5.02 0.11 -1.26 -1.13 120.40 120.87 1f02 s VAL 805 Ca 0.32 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 58.92 1f02 s VAL 805 Cb -0.05 -0.19 -0.09 0.00 -1.53 0.00 0.00 36.38 34.52 1f02 s VAL 805 CO 0.19 -0.08 1.52 -0.62 -3.33 0.00 0.00 175.10 172.78 1f02 s ASP 806 N -0.21 6.68 0.19 3.54 -1.08 0.81 -4.86 116.67 121.75 1f02 s ASP 806 Ca -0.03 2.47 -0.18 0.00 -0.52 0.00 0.00 52.55 54.29 1f02 s ASP 806 Cb -0.02 -2.58 0.15 0.00 -1.46 0.00 0.00 42.92 39.01 1f02 s ASP 806 CO 0.00 -0.78 1.61 0.00 0.52 0.00 0.00 175.17 176.53 1f02 h ALA 807 N 7.15 0.15 -2.24 3.66 0.00 -1.91 -2.79 119.26 123.27 1f02 h ALA 807 Ca -0.42 0.18 -0.60 0.00 0.00 0.00 0.00 54.91 54.07 1f02 h ALA 807 Cb 1.20 0.58 -0.42 0.00 0.00 0.00 0.00 17.79 19.15 1f02 h ALA 807 CO 0.90 -0.56 -0.63 -1.13 0.00 0.00 0.00 179.25 177.84 1f02 n SER 808 N -5.42 3.45 0.00 0.00 3.41 -1.26 0.13 113.62 113.93 1f02 n SER 808 Ca 0.04 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 1f02 n SER 808 Cb 0.33 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1f02 n SER 808 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1f02 n SER 809 N 0.97 0.00 -1.60 4.04 3.41 -1.23 -4.99 113.62 114.22 1f02 n SER 809 Ca 0.29 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.73 1f02 n SER 809 Cb 0.41 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1f02 n SER 809 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f02 n GLY 810 N 0.00 0.64 3.68 5.00 0.00 -1.05 -4.73 105.19 108.72 1f02 n GLY 810 Ca 0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1f02 n GLY 810 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1f02 s GLN 811 N -4.14 4.32 -0.02 1.61 0.74 -1.26 -1.76 119.66 119.14 1f02 s GLN 811 Ca 0.00 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.42 1f02 s GLN 811 Cb 0.00 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1f02 s GLN 811 CO 0.00 -0.28 0.03 0.08 -0.55 0.00 0.00 175.29 174.57 1f02 s VAL 812 N 1.98 4.40 -0.11 1.34 1.01 0.53 -0.13 120.40 129.42 1f02 s VAL 812 Ca 0.38 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1f02 s VAL 812 Cb -0.17 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1f02 s VAL 812 CO 0.13 0.41 -0.15 0.42 0.00 0.00 0.00 175.10 175.91 1f02 s THR 813 N -1.09 1.46 0.12 3.92 -4.23 -0.29 -1.12 115.64 114.41 1f02 s THR 813 Ca 0.20 -0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.78 1f02 s THR 813 Cb -0.12 -1.34 -0.06 0.00 1.34 0.00 0.00 72.50 72.32 1f02 s THR 813 CO 0.10 0.43 0.97 -0.76 -0.54 0.00 0.00 174.62 174.83 1f02 s LEU 814 N 0.98 4.50 0.00 4.79 1.43 -0.92 -1.91 118.68 127.56 1f02 s LEU 814 Ca -0.07 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1f02 s LEU 814 Cb -0.15 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1f02 s LEU 814 CO -0.01 -0.07 0.00 0.29 0.23 0.00 0.00 176.35 176.78 1f02 n LYS 815 N 2.73 0.00 -3.96 1.70 5.02 0.24 -0.35 118.16 123.54 1f02 n LYS 815 Ca 0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 1f02 n LYS 815 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.44 1f02 n LYS 815 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1f02 s GLU 816 N -0.68 3.36 -0.14 1.97 0.41 -0.84 -4.73 118.70 118.04 1f02 s GLU 816 Ca 0.00 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.05 1f02 s GLU 816 Cb 0.00 -3.10 -0.06 0.00 -1.78 0.00 0.00 34.13 29.19 1f02 s GLU 816 CO 0.00 0.74 2.00 0.21 -0.49 0.00 0.00 175.26 177.72 1f02 s LYS 817 N -1.24 3.59 0.00 1.61 2.20 -1.26 -4.62 119.74 120.03 1f02 s LYS 817 Ca 0.18 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1f02 s LYS 817 Cb -0.12 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 1f02 s LYS 817 CO 0.07 -1.57 0.00 0.41 -0.36 0.00 0.00 175.35 173.91 1f02 n GLY 818 N 5.13 -1.54 3.10 5.54 0.00 -1.26 -4.99 105.19 111.17 1f02 n GLY 818 Ca 0.24 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1f02 n GLY 818 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1f02 s THR 819 N -2.17 1.71 0.18 2.61 -1.32 -1.26 -3.24 115.64 112.14 1f02 s THR 819 Ca 0.00 -0.77 -0.04 0.00 -1.21 0.00 0.00 61.69 59.67 1f02 s THR 819 Cb 0.00 -1.54 -0.03 0.00 -1.51 0.00 0.00 72.50 69.42 1f02 s THR 819 CO 0.00 0.48 0.19 0.28 -2.21 0.00 0.00 174.62 173.36 1f02 s THR 820 N 0.94 0.05 -0.10 5.08 -1.32 -0.89 -4.94 115.64 114.45 1f02 s THR 820 Ca -0.06 -1.75 0.02 0.00 -1.21 0.00 0.00 61.69 58.69 1f02 s THR 820 Cb -0.15 -2.16 0.01 0.00 -1.51 0.00 0.00 72.50 68.69 1f02 s THR 820 CO -0.02 -0.22 -0.17 0.42 -2.21 0.00 0.00 174.62 172.43 1f02 s THR 821 N -4.06 1.58 -0.03 5.08 -4.23 -1.26 0.25 115.64 112.96 1f02 s THR 821 Ca 0.27 -0.71 -0.13 0.00 -1.18 0.00 0.00 61.69 59.94 1f02 s THR 821 Cb 0.05 -1.43 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 1f02 s THR 821 CO 0.06 0.46 0.34 -0.63 -0.54 0.00 0.00 174.62 174.31 1f02 s ILE 822 N 0.82 5.15 0.26 2.99 1.01 0.33 -2.51 121.20 129.26 1f02 s ILE 822 Ca -0.10 0.69 0.11 0.00 0.00 0.00 0.00 60.65 61.35 1f02 s ILE 822 Cb -0.16 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1f02 s ILE 822 CO 0.01 0.58 -0.18 -0.94 0.00 0.00 0.00 174.94 174.41 1f02 s SER 823 N -1.02 3.31 0.00 3.58 1.04 0.32 0.08 113.70 121.02 1f02 s SER 823 Ca 0.22 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.63 1f02 s SER 823 Cb -0.16 -0.26 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 1f02 s SER 823 CO 0.11 -0.03 -0.07 0.54 0.98 0.00 0.00 173.24 174.76 1f02 s VAL 824 N -2.65 0.56 -0.05 5.02 0.11 0.04 -1.03 120.40 122.40 1f02 s VAL 824 Ca 0.28 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.95 1f02 s VAL 824 Cb -0.03 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1f02 s VAL 824 CO 0.13 0.08 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.16 1f02 s ILE 825 N -0.34 1.53 0.15 7.04 1.01 -0.75 -1.46 121.20 128.37 1f02 s ILE 825 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1f02 s ILE 825 Cb -0.04 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1f02 s ILE 825 CO -0.00 0.44 0.31 -0.94 0.00 0.00 0.00 174.94 174.75 1f02 s SER 826 N 0.08 6.37 0.53 3.58 1.04 -0.85 -2.49 113.70 121.96 1f02 s SER 826 Ca -0.06 0.30 0.22 0.00 0.48 0.00 0.00 55.95 56.90 1f02 s SER 826 Cb -0.12 -1.97 1.35 0.00 0.10 0.00 0.00 66.02 65.38 1f02 s SER 826 CO 0.03 0.05 2.04 0.28 0.98 0.00 0.00 173.24 176.61 1f02 h SER 827 N 2.35 0.01 0.00 7.02 0.02 -1.87 0.55 113.55 121.63 1f02 h SER 827 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1f02 h SER 827 Cb 1.18 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1f02 h SER 827 CO 0.70 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 175.50 1f02 n ASP 828 N -4.42 0.06 -2.44 3.07 3.85 -1.26 -4.85 116.55 110.56 1f02 n ASP 828 Ca 0.06 -1.58 -0.14 0.00 -0.71 0.00 0.00 54.79 52.43 1f02 n ASP 828 Cb 0.46 -0.03 0.05 0.00 -1.35 0.00 0.00 41.12 40.25 1f02 n ASP 828 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1f02 n ASN 829 N -0.46 -4.01 -4.91 -1.12 3.02 0.19 -4.86 115.26 103.11 1f02 n ASN 829 Ca 0.00 -0.35 -0.20 0.00 -0.03 0.00 0.00 54.58 54.00 1f02 n ASN 829 Cb 0.01 -3.32 -0.02 0.00 -0.61 0.00 0.00 39.78 35.84 1f02 n ASN 829 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1f02 s GLN 830 N -5.56 2.65 -0.03 3.52 -0.21 -1.21 -4.92 119.66 113.91 1f02 s GLN 830 Ca 0.27 -1.42 -0.02 0.00 0.02 0.00 0.00 55.36 54.21 1f02 s GLN 830 Cb -0.12 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.40 1f02 s GLN 830 CO 0.45 -0.17 0.07 0.99 -2.12 0.00 0.00 175.29 174.51 1f02 s THR 831 N -2.41 0.00 0.07 -0.19 2.01 -1.26 -2.00 115.64 111.86 1f02 s THR 831 Ca 0.49 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.48 1f02 s THR 831 Cb -0.05 -0.11 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 1f02 s THR 831 CO 0.29 -0.01 -0.07 0.00 -0.69 0.00 0.00 174.62 174.14 1f02 s ALA 832 N -0.01 0.74 -0.06 7.40 0.00 -0.53 -4.90 121.76 124.40 1f02 s ALA 832 Ca -0.01 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 1f02 s ALA 832 Cb -0.01 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1f02 s ALA 832 CO 0.00 -0.16 0.15 0.95 0.00 0.00 0.00 175.76 176.71 1f02 s THR 833 N -2.65 -0.01 -0.10 0.00 -4.23 -1.26 -0.78 115.64 106.60 1f02 s THR 833 Ca 0.01 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1f02 s THR 833 Cb -0.01 -0.23 -0.02 0.00 1.34 0.00 0.00 72.50 73.59 1f02 s THR 833 CO -0.03 0.02 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.45 1f02 s TYR 834 N 0.39 2.73 -0.10 3.99 6.14 0.11 -4.87 117.35 125.74 1f02 s TYR 834 Ca -0.03 -0.58 -0.15 0.00 0.64 0.00 0.00 57.07 56.96 1f02 s TYR 834 Cb -0.04 -1.76 -0.05 0.00 0.42 0.00 0.00 41.96 40.53 1f02 s TYR 834 CO -0.02 -0.14 0.36 0.99 0.64 0.00 0.00 175.55 177.38 1f02 s THR 835 N 0.06 5.21 -0.42 4.34 2.01 -1.26 -0.51 115.64 125.08 1f02 s THR 835 Ca -0.06 0.70 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1f02 s THR 835 Cb -0.15 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 68.73 1f02 s THR 835 CO 0.05 0.45 0.28 -0.63 -0.69 0.00 0.00 174.62 174.08 1f02 s ILE 836 N -0.06 4.75 0.36 1.82 1.01 0.14 -4.96 121.20 124.26 1f02 s ILE 836 Ca 0.21 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.59 1f02 s ILE 836 Cb -0.14 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1f02 s ILE 836 CO 0.08 -0.40 1.02 0.00 0.00 0.00 0.00 174.94 175.64 1f02 s ALA 837 N 1.56 3.16 0.19 9.38 0.00 -1.26 -2.09 121.76 132.71 1f02 s ALA 837 Ca 0.03 0.67 -0.33 0.00 0.00 0.00 0.00 51.96 52.33 1f02 s ALA 837 Cb -0.21 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1f02 s ALA 837 CO 0.06 -0.08 1.67 -2.37 0.00 0.00 0.00 175.76 175.04 1f02 n THR 838 N 0.27 0.01 -1.68 0.00 5.66 -1.20 -4.79 114.28 112.56 1f02 n THR 838 Ca 0.03 -0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.70 1f02 n THR 838 Cb 0.49 -1.83 0.06 0.00 -1.55 0.00 0.00 70.33 67.49 1f02 n THR 838 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1f02 s PRO 839 N 1.06 2.70 0.15 1.09 0.04 -1.26 -4.95 135.00 133.83 1f02 s PRO 839 Ca 0.76 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 1f02 s PRO 839 Cb -0.56 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.06 1f02 s PRO 839 CO 0.34 -1.33 1.63 -0.91 0.04 0.00 0.00 177.00 176.77 1f02 h ASN 840 N -0.14 0.79 -3.64 6.66 4.21 -1.61 -3.45 115.58 118.41 1f02 h ASN 840 Ca -0.46 -0.27 -0.15 0.00 1.21 0.00 0.00 56.30 56.63 1f02 h ASN 840 Cb 1.25 -0.21 -0.26 0.00 -1.12 0.00 0.00 38.32 37.98 1f02 h ASN 840 CO 0.53 0.86 -0.35 -0.44 -1.29 0.00 0.00 177.43 176.75 1f02 s SER 841 N -6.23 -0.37 -0.32 5.81 0.01 -1.21 -4.93 113.70 106.46 1f02 s SER 841 Ca -0.13 0.69 -0.08 0.00 1.31 0.00 0.00 55.95 57.74 1f02 s SER 841 Cb 0.11 0.66 0.01 0.00 0.21 0.00 0.00 66.02 67.01 1f02 s SER 841 CO 0.80 -0.14 0.13 -0.22 0.41 0.00 0.00 173.24 174.22 1f02 s LEU 842 N 0.61 4.16 -0.18 2.44 2.96 -1.26 -2.04 118.68 125.37 1f02 s LEU 842 Ca -0.04 -0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 52.82 1f02 s LEU 842 Cb -0.05 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 1f02 s LEU 842 CO -0.04 -0.25 1.07 -0.63 -1.32 0.00 0.00 176.35 175.18 1f02 s ILE 843 N 1.53 4.64 -0.24 6.68 1.09 0.27 -1.28 121.20 133.89 1f02 s ILE 843 Ca 0.03 1.95 -0.00 0.00 -1.10 0.00 0.00 60.65 61.52 1f02 s ILE 843 Cb -0.18 -4.26 0.07 0.00 -1.06 0.00 0.00 42.46 37.03 1f02 s ILE 843 CO 0.04 -0.12 -0.00 -0.69 -0.10 0.00 0.00 174.94 174.08 1f02 s VAL 844 N 2.87 1.19 -0.51 2.92 1.01 0.78 -1.04 120.40 127.63 1f02 s VAL 844 Ca 0.47 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 1f02 s VAL 844 Cb -0.17 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.64 1f02 s VAL 844 CO 0.11 -0.25 0.82 -2.16 0.00 0.00 0.00 175.10 173.62 1f02 s PRO 845 N 1.53 3.30 -0.45 2.72 0.04 -1.26 -0.03 135.00 140.84 1f02 s PRO 845 Ca -0.01 -0.38 -0.27 0.00 0.04 0.00 0.00 61.00 60.38 1f02 s PRO 845 Cb -0.18 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 1f02 s PRO 845 CO -0.10 -1.32 1.90 -0.80 0.04 0.00 0.00 177.00 176.73 1f02 s ASN 846 N 2.61 5.48 0.00 6.66 -0.87 0.19 -4.81 114.94 124.20 1f02 s ASN 846 Ca 0.26 0.94 0.25 0.00 -1.57 0.00 0.00 52.86 52.74 1f02 s ASN 846 Cb -0.14 -2.52 1.05 0.00 -0.02 0.00 0.00 41.25 39.61 1f02 s ASN 846 CO 0.18 -2.10 1.73 0.23 -2.57 0.00 0.00 177.10 174.57 1f02 n MET 847 N 8.79 1.57 0.00 -0.60 2.81 -1.26 -3.82 117.12 124.61 1f02 n MET 847 Ca 0.24 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.29 1f02 n MET 847 Cb 0.50 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 1f02 n MET 847 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1f02 n SER 848 N 0.03 0.00 -3.93 7.83 3.41 -1.26 -4.86 113.62 114.84 1f02 n SER 848 Ca 0.18 0.57 -0.09 0.00 -0.26 0.00 0.00 58.87 59.27 1f02 n SER 848 Cb 0.30 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1f02 n SER 848 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1f02 s LYS 849 N -1.67 1.32 0.95 4.33 -2.85 -1.26 -5.15 119.74 115.41 1f02 s LYS 849 Ca 0.00 -1.15 -0.12 0.00 -1.00 0.00 0.00 55.97 53.70 1f02 s LYS 849 Cb 0.00 0.43 0.07 0.00 -2.06 0.00 0.00 37.83 36.28 1f02 s LYS 849 CO 0.00 -0.52 0.64 0.54 0.10 0.00 0.00 175.35 176.11 1f02 n ARG 850 N -0.29 -0.39 -3.86 1.78 5.12 -1.26 -4.73 116.66 113.03 1f02 n ARG 850 Ca -0.06 -0.06 -0.08 0.00 -1.93 0.00 0.00 57.85 55.72 1f02 n ARG 850 Cb 0.63 -2.02 -0.01 0.00 -1.16 0.00 0.00 32.46 29.90 1f02 n ARG 850 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1f02 s VAL 851 N -2.47 0.00 0.19 1.55 0.11 0.55 -4.98 120.40 115.35 1f02 s VAL 851 Ca 0.60 -1.06 0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1f02 s VAL 851 Cb -0.22 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 1f02 s VAL 851 CO 0.65 0.00 0.14 0.42 -3.33 0.00 0.00 175.10 172.98 1f02 s THR 852 N -3.36 4.40 0.35 5.04 -4.23 -1.26 -2.82 115.64 113.77 1f02 s THR 852 Ca 0.14 -1.22 0.16 0.00 -1.18 0.00 0.00 61.69 59.58 1f02 s THR 852 Cb -0.05 -3.29 0.35 0.00 1.34 0.00 0.00 72.50 70.85 1f02 s THR 852 CO 0.09 -0.19 1.69 0.22 -0.54 0.00 0.00 174.62 175.89 1f02 h TYR 853 N 2.13 0.87 0.49 3.99 5.03 -1.75 0.54 116.97 128.27 1f02 h TYR 853 Ca -0.48 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.84 1f02 h TYR 853 Cb 1.21 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1f02 h TYR 853 CO 0.58 -0.08 -0.23 -0.91 -1.32 0.00 0.00 178.16 176.19 1f02 h ASN 854 N 0.37 -0.55 0.00 -2.11 -0.26 -1.93 -2.09 115.58 109.00 1f02 h ASN 854 Ca 0.70 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.41 1f02 h ASN 854 Cb 1.63 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 39.03 1f02 h ASN 854 CO -0.50 -0.14 0.22 0.44 -1.06 0.00 0.00 177.43 176.38 1f02 h ASP 855 N -1.13 0.00 0.36 5.81 3.32 -1.56 0.16 116.42 123.38 1f02 h ASP 855 Ca -0.07 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1f02 h ASP 855 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1f02 h ASP 855 CO 0.11 0.00 -0.17 0.00 -1.72 0.00 0.00 179.24 177.46 1f02 h ALA 856 N 1.56 -0.53 -0.43 3.45 0.00 0.25 0.69 119.26 124.26 1f02 h ALA 856 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1f02 h ALA 856 Cb 0.43 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1f02 h ALA 856 CO 0.00 -0.50 0.29 0.28 0.00 0.00 0.00 179.25 179.32 1f02 h VAL 857 N -1.02 0.96 -0.37 0.00 2.07 -0.68 0.87 116.25 118.09 1f02 h VAL 857 Ca -0.05 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1f02 h VAL 857 Cb 0.37 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1f02 h VAL 857 CO 0.08 0.06 0.16 -1.13 0.02 0.00 0.00 177.57 176.76 1f02 h ASN 858 N 0.34 0.46 0.07 0.57 -1.24 -0.69 -1.76 115.58 113.33 1f02 h ASN 858 Ca 0.19 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 1f02 h ASN 858 Cb 0.30 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1f02 h ASN 858 CO -0.04 0.41 -0.03 0.74 -1.29 0.00 0.00 177.43 177.22 1f02 h THR 859 N 0.51 1.12 0.00 -3.57 2.02 0.32 -2.82 112.91 110.49 1f02 h THR 859 Ca 0.13 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.78 1f02 h THR 859 Cb 0.09 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1f02 h THR 859 CO -0.01 0.33 -0.00 0.00 0.37 0.00 0.00 175.52 176.20 1f02 n LYS 861 N -2.13 -0.08 0.00 0.00 4.76 -0.67 0.02 118.16 120.06 1f02 n LYS 861 Ca -0.00 1.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.91 1f02 n LYS 861 Cb 0.00 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 30.92 1f02 n LYS 861 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1f02 n ASN 862 N -5.50 0.00 0.16 4.39 2.85 -1.07 -1.73 115.26 114.36 1f02 n ASN 862 Ca 0.19 0.33 0.10 0.00 -0.11 0.00 0.00 54.58 55.09 1f02 n ASN 862 Cb 0.62 0.00 0.55 0.00 1.24 0.00 0.00 39.78 42.19 1f02 n ASN 862 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 1f02 n PHE 863 N -0.53 0.68 0.00 1.20 1.16 -1.04 -4.89 117.46 114.04 1f02 n PHE 863 Ca 0.00 0.36 0.00 0.00 -1.87 0.00 0.00 57.45 55.94 1f02 n PHE 863 Cb 0.00 -1.06 0.00 0.00 -1.61 0.00 0.00 39.48 36.81 1f02 n PHE 863 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1f02 n GLY 864 N -1.31 3.13 0.00 4.97 0.00 0.10 -5.11 105.19 106.97 1f02 n GLY 864 Ca -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1f02 n GLY 864 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f02 n GLY 865 N -0.21 0.80 3.97 -0.02 0.00 -1.24 -4.52 105.19 103.96 1f02 n GLY 865 Ca 0.00 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.07 1f02 n GLY 865 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f02 s LYS 866 N -3.45 1.52 0.35 1.61 1.02 -1.24 -1.75 119.74 117.80 1f02 s LYS 866 Ca 0.00 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 55.09 1f02 s LYS 866 Cb 0.00 -2.20 -0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1f02 s LYS 866 CO 0.00 -1.63 0.68 -1.17 -0.92 0.00 0.00 175.35 172.30 1f02 s LEU 867 N -5.33 3.93 0.62 3.17 2.96 -1.26 -2.73 118.68 120.04 1f02 s LEU 867 Ca 0.67 0.96 -0.19 0.00 -0.22 0.00 0.00 54.13 55.35 1f02 s LEU 867 Cb -0.06 -3.81 -0.02 0.00 0.50 0.00 0.00 46.19 42.80 1f02 s LEU 867 CO 0.46 -0.31 1.31 -0.81 -1.32 0.00 0.00 176.35 175.69 1f02 n PRO 868 N -1.12 1.27 0.00 0.98 -0.04 -1.26 -4.80 135.00 130.02 1f02 n PRO 868 Ca 0.01 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1f02 n PRO 868 Cb 0.54 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1f02 n PRO 868 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f02 n SER 869 N -1.67 0.00 -3.20 3.54 2.88 -1.26 -2.70 113.62 111.21 1f02 n SER 869 Ca 0.14 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.47 1f02 n SER 869 Cb 0.47 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.12 1f02 n SER 869 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1f02 n SER 870 N 0.00 -2.74 0.03 -3.46 3.41 -1.26 -2.56 113.62 107.05 1f02 n SER 870 Ca 0.00 -0.78 -0.06 0.00 -0.26 0.00 0.00 58.87 57.77 1f02 n SER 870 Cb 0.00 -0.71 0.13 0.00 -0.26 0.00 0.00 64.21 63.38 1f02 n SER 870 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1f02 h GLN 871 N 0.00 0.44 -0.29 4.33 4.20 -1.96 -3.11 115.11 118.72 1f02 h GLN 871 Ca -0.28 -0.23 0.06 0.00 0.06 0.00 0.00 58.65 58.26 1f02 h GLN 871 Cb 0.91 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.64 1f02 h GLN 871 CO 0.18 0.80 -0.14 -0.91 -0.67 0.00 0.00 178.83 178.08 1f02 h ASN 872 N 0.36 -0.48 -0.99 1.46 2.35 -1.97 1.23 115.58 117.52 1f02 h ASN 872 Ca 0.03 0.11 0.22 0.00 -0.55 0.00 0.00 56.30 56.11 1f02 h ASN 872 Cb 0.92 0.26 -0.10 0.00 0.05 0.00 0.00 38.32 39.46 1f02 h ASN 872 CO 0.08 -0.18 0.62 -0.08 -1.65 0.00 0.00 177.43 176.22 1f02 h GLU 873 N -0.10 0.55 0.16 0.81 4.81 -1.88 0.38 114.58 119.31 1f02 h GLU 873 Ca 0.15 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 1f02 h GLU 873 Cb 0.33 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.60 1f02 h GLU 873 CO -0.36 0.36 -1.25 1.25 -0.73 0.00 0.00 179.01 178.29 1f02 h LEU 874 N 0.57 0.54 -0.85 1.64 5.85 -1.17 -3.30 115.31 118.59 1f02 h LEU 874 Ca 0.57 -0.91 0.17 0.00 0.84 0.00 0.00 57.88 58.55 1f02 h LEU 874 Cb 1.16 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 1f02 h LEU 874 CO -0.33 1.58 0.40 -0.08 -0.34 0.00 0.00 178.44 179.67 1f02 h GLU 875 N -0.19 0.49 -0.21 1.25 4.81 0.34 -0.98 114.58 120.09 1f02 h GLU 875 Ca -0.24 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1f02 h GLU 875 Cb 1.84 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 31.06 1f02 h GLU 875 CO 0.15 0.33 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.76 1f02 h ASN 876 N 0.51 -0.31 -0.71 1.04 2.35 -0.43 -1.51 115.58 116.51 1f02 h ASN 876 Ca 0.49 0.08 0.13 0.00 -0.55 0.00 0.00 56.30 56.45 1f02 h ASN 876 Cb 0.80 0.18 -0.13 0.00 0.05 0.00 0.00 38.32 39.22 1f02 h ASN 876 CO -0.43 -0.12 -0.29 0.58 -1.65 0.00 0.00 177.43 175.52 1f02 h VAL 877 N -0.06 0.17 -0.92 2.81 2.07 -1.25 0.57 116.25 119.64 1f02 h VAL 877 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1f02 h VAL 877 Cb 0.23 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 1f02 h VAL 877 CO -0.25 0.00 0.59 0.15 0.02 0.00 0.00 177.57 178.08 1f02 h PHE 878 N -0.08 0.97 -1.27 1.57 3.57 -1.18 -1.52 116.94 119.00 1f02 h PHE 878 Ca 0.30 0.03 -0.75 0.00 3.53 0.00 0.00 57.97 61.07 1f02 h PHE 878 Cb 0.56 -0.31 -0.14 0.00 2.79 0.00 0.00 35.95 38.85 1f02 h PHE 878 CO -0.66 0.41 2.11 1.63 -2.23 0.00 0.00 178.31 179.57 1f02 n LYS 879 N -4.56 3.55 0.00 1.11 5.02 0.20 0.30 118.16 123.78 1f02 n LYS 879 Ca 0.17 -3.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.01 1f02 n LYS 879 Cb 0.36 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.41 1f02 n LYS 879 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f02 n ALA 880 N 4.12 0.00 0.00 7.82 0.00 -0.94 -4.88 120.51 126.63 1f02 n ALA 880 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1f02 n ALA 880 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1f02 n ALA 880 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1f02 n TRP 881 N 0.00 0.00 -2.29 0.00 7.02 -0.61 -4.82 117.44 116.74 1f02 n TRP 881 Ca 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.58 1f02 n TRP 881 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1f02 n TRP 881 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1f02 n GLY 882 N 1.70 -1.74 2.58 6.99 0.00 0.15 -3.98 105.19 110.89 1f02 n GLY 882 Ca 0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1f02 n GLY 882 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f02 n ALA 883 N -1.33 0.19 0.00 4.61 0.00 -1.26 -4.71 120.51 118.01 1f02 n ALA 883 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1f02 n ALA 883 Cb 0.34 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1f02 n ALA 883 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f02 n ALA 884 N 6.43 0.87 1.47 0.00 0.00 -0.18 -1.56 120.51 127.53 1f02 n ALA 884 Ca 0.45 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.04 1f02 n ALA 884 Cb -0.02 -0.84 0.74 0.00 0.00 0.00 0.00 19.45 19.33 1f02 n ALA 884 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1f02 n ASN 885 N -1.38 0.12 0.21 0.00 6.94 -1.26 -3.03 115.26 116.86 1f02 n ASN 885 Ca 0.00 -0.32 0.10 0.00 -0.02 0.00 0.00 54.58 54.35 1f02 n ASN 885 Cb 0.07 -0.21 0.32 0.00 -2.36 0.00 0.00 39.78 37.61 1f02 n ASN 885 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1f02 h LYS 886 N 0.14 0.00 -5.84 -3.83 1.57 -1.55 -3.27 116.57 103.79 1f02 h LYS 886 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1f02 h LYS 886 Cb 0.28 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1f02 h LYS 886 CO 0.00 0.18 0.07 0.71 -0.57 0.00 0.00 179.45 179.83 1f02 s TYR 887 N -3.37 3.49 0.00 -1.35 1.51 -1.17 -4.91 117.35 111.55 1f02 s TYR 887 Ca 0.03 1.07 -0.00 0.00 -1.01 0.00 0.00 57.07 57.16 1f02 s TYR 887 Cb 0.08 -2.76 -0.00 0.00 -0.11 0.00 0.00 41.96 39.17 1f02 s TYR 887 CO 0.65 0.00 0.06 -1.91 -1.11 0.00 0.00 175.55 173.24 1f02 n GLU 888 N 4.25 -0.00 0.33 -0.62 4.07 -1.26 0.59 120.64 127.99 1f02 n GLU 888 Ca -0.02 0.06 0.10 0.00 -0.06 0.00 0.00 57.16 57.23 1f02 n GLU 888 Cb 0.51 -0.09 0.50 0.00 -0.06 0.00 0.00 31.44 32.30 1f02 n GLU 888 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1f02 h TYR 889 N 0.00 0.00 0.00 4.31 3.20 -1.92 0.19 116.97 122.75 1f02 h TYR 889 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1f02 h TYR 889 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1f02 h TYR 889 CO -0.05 0.00 -0.29 0.66 -1.64 0.00 0.00 178.16 176.84 1f02 n TYR 890 N -2.75 0.00 0.56 -3.82 4.02 0.20 -4.83 117.16 110.54 1f02 n TYR 890 Ca -0.01 -0.95 0.01 0.00 -0.01 0.00 0.00 57.90 56.95 1f02 n TYR 890 Cb 0.63 -0.16 0.08 0.00 -0.02 0.00 0.00 39.34 39.87 1f02 n TYR 890 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1f02 n LYS 891 N -0.99 0.28 0.00 -0.72 5.02 0.67 -3.14 118.16 119.28 1f02 n LYS 891 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1f02 n LYS 891 Cb 0.70 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1f02 n LYS 891 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1f02 n SER 892 N -0.65 3.45 -4.55 4.39 3.41 -1.26 -4.98 113.62 113.42 1f02 n SER 892 Ca 0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.27 1f02 n SER 892 Cb 0.01 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1f02 n SER 892 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1f02 s SER 893 N -2.66 5.36 0.11 4.04 0.01 -1.19 -4.81 113.70 114.57 1f02 s SER 893 Ca 0.00 -0.08 0.12 0.00 1.31 0.00 0.00 55.95 57.30 1f02 s SER 893 Cb 0.00 -2.54 0.58 0.00 0.21 0.00 0.00 66.02 64.27 1f02 s SER 893 CO 0.00 -2.39 1.38 0.00 0.41 0.00 0.00 173.24 172.64 1f02 n GLN 894 N 9.10 0.06 -3.75 12.44 6.02 -1.26 -4.63 117.38 135.36 1f02 n GLN 894 Ca 0.25 0.45 -0.12 0.00 -0.01 0.00 0.00 57.00 57.56 1f02 n GLN 894 Cb 0.50 -1.66 -0.12 0.00 1.02 0.00 0.00 30.24 29.99 1f02 n GLN 894 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1f02 s THR 895 N -3.17 -0.02 -0.40 5.09 -1.32 -1.26 -4.67 115.64 109.90 1f02 s THR 895 Ca 0.02 0.06 0.11 0.00 -1.21 0.00 0.00 61.69 60.67 1f02 s THR 895 Cb 0.05 -0.41 0.36 0.00 -1.51 0.00 0.00 72.50 71.00 1f02 s THR 895 CO 0.18 0.02 0.79 -0.38 -2.21 0.00 0.00 174.62 173.03 1f02 n ILE 896 N 3.49 0.50 -1.99 5.08 5.41 -1.26 -5.00 119.36 125.58 1f02 n ILE 896 Ca -0.18 -4.59 -0.42 0.00 1.00 0.00 0.00 62.75 58.56 1f02 n ILE 896 Cb 0.56 -0.36 -0.03 0.00 -0.71 0.00 0.00 39.64 39.11 1f02 n ILE 896 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1f02 s ILE 897 N -2.88 3.04 0.08 1.39 1.10 -1.26 -1.65 121.20 121.02 1f02 s ILE 897 Ca 0.40 0.59 0.10 0.00 -0.51 0.00 0.00 60.65 61.23 1f02 s ILE 897 Cb 0.35 -3.38 -0.03 0.00 0.15 0.00 0.00 42.46 39.55 1f02 s ILE 897 CO -0.08 0.02 -0.26 -0.44 -2.11 0.00 0.00 174.94 172.07 1f02 s SER 898 N 1.89 3.30 0.25 4.50 0.01 0.22 -1.48 113.70 122.38 1f02 s SER 898 Ca 0.71 -0.63 -0.30 0.00 1.31 0.00 0.00 55.95 57.04 1f02 s SER 898 Cb -0.39 -0.30 -0.09 0.00 0.21 0.00 0.00 66.02 65.44 1f02 s SER 898 CO 0.31 0.23 1.19 0.26 0.41 0.00 0.00 173.24 175.64 1f02 s TRP 899 N -0.92 3.41 0.50 2.43 0.23 -1.09 -1.99 118.94 121.52 1f02 s TRP 899 Ca 0.13 1.51 0.05 0.00 -2.03 0.00 0.00 56.10 55.76 1f02 s TRP 899 Cb -0.10 -3.43 -0.00 0.00 0.03 0.00 0.00 33.47 29.97 1f02 s TRP 899 CO 0.04 -1.12 0.23 0.08 0.96 0.00 0.00 176.95 177.15 1f02 s VAL 900 N -0.65 1.71 0.66 4.03 1.01 -0.66 -4.53 120.40 121.96 1f02 s VAL 900 Ca 0.49 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1f02 s VAL 900 Cb -0.34 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1f02 s VAL 900 CO 0.41 0.00 1.15 -1.58 0.00 0.00 0.00 175.10 175.08 1f02 s GLN 901 N -4.07 2.70 -0.44 2.72 2.00 -1.06 -4.63 119.66 116.88 1f02 s GLN 901 Ca 0.28 1.56 -0.17 0.00 -2.00 0.00 0.00 55.36 55.04 1f02 s GLN 901 Cb 0.00 -1.92 0.04 0.00 0.80 0.00 0.00 33.01 31.93 1f02 s GLN 901 CO 0.17 -1.36 0.46 -1.14 -0.50 0.00 0.00 175.29 172.91 1f02 s GLN 902 N -3.87 3.07 1.23 1.67 0.74 -1.26 -4.49 119.66 116.75 1f02 s GLN 902 Ca 0.71 -0.89 -0.18 0.00 0.05 0.00 0.00 55.36 55.05 1f02 s GLN 902 Cb -0.24 -4.02 0.26 0.00 1.10 0.00 0.00 33.01 30.10 1f02 s GLN 902 CO 0.40 -0.94 0.58 0.25 -0.55 0.00 0.00 175.29 175.03 1f02 n THR 903 N 5.42 0.00 -0.14 -0.34 -2.24 -1.26 -4.63 114.28 111.09 1f02 n THR 903 Ca -0.08 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 1f02 n THR 903 Cb 0.46 -0.79 0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1f02 n THR 903 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f02 h ALA 904 N -2.88 0.54 -0.00 6.98 0.00 -2.00 -2.62 119.26 119.29 1f02 h ALA 904 Ca -0.45 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 1f02 h ALA 904 Cb 1.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1f02 h ALA 904 CO 0.32 -0.12 -0.92 0.37 0.00 0.00 0.00 179.25 178.90 1f02 h GLN 905 N 0.46 0.36 -0.64 0.00 5.75 -1.99 -3.24 115.11 115.81 1f02 h GLN 905 Ca 0.18 -0.39 0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1f02 h GLN 905 Cb 0.07 0.11 -0.08 0.00 1.07 0.00 0.00 27.48 28.65 1f02 h GLN 905 CO -0.12 1.07 0.20 -0.44 -2.65 0.00 0.00 178.83 176.89 1f02 h ASP 906 N 0.21 0.14 -0.15 -0.69 3.45 -1.75 0.01 116.42 117.63 1f02 h ASP 906 Ca -0.07 0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.51 1f02 h ASP 906 Cb 1.55 0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 40.39 1f02 h ASP 906 CO 0.16 0.07 -0.32 0.00 -1.57 0.00 0.00 179.24 177.57 1f02 h ALA 907 N 1.48 -0.65 -0.31 3.45 0.00 -1.50 0.22 119.26 121.95 1f02 h ALA 907 Ca 0.34 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1f02 h ALA 907 Cb 0.48 0.89 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 1f02 h ALA 907 CO -0.37 -0.78 -0.27 0.87 0.00 0.00 0.00 179.25 178.69 1f02 h LYS 908 N -0.29 -0.24 0.00 0.00 1.57 -1.47 0.29 116.57 116.43 1f02 h LYS 908 Ca 0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1f02 h LYS 908 Cb 0.38 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1f02 h LYS 908 CO -0.30 -0.16 0.00 0.43 -0.57 0.00 0.00 179.45 178.85 1f02 n SER 909 N -5.40 0.00 -2.66 0.86 7.64 -0.08 -4.83 113.62 109.15 1f02 n SER 909 Ca 0.00 0.21 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 1f02 n SER 909 Cb 0.31 -0.31 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1f02 n SER 909 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f02 n GLY 910 N -0.63 -0.40 3.25 0.23 0.00 0.10 -4.99 105.19 102.76 1f02 n GLY 910 Ca 0.03 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1f02 n GLY 910 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f02 s VAL 911 N -3.10 0.15 0.24 1.61 -7.23 -0.34 -2.22 120.40 109.52 1f02 s VAL 911 Ca 0.24 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1f02 s VAL 911 Cb -0.11 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1f02 s VAL 911 CO 0.30 0.00 0.22 0.00 -0.31 0.00 0.00 175.10 175.32 1f02 n ALA 912 N -0.40 0.45 -2.53 1.32 0.00 -0.81 -4.22 120.51 114.32 1f02 n ALA 912 Ca 0.02 -1.41 -0.24 0.00 0.00 0.00 0.00 53.44 51.82 1f02 n ALA 912 Cb 0.65 1.14 -0.09 0.00 0.00 0.00 0.00 19.45 21.15 1f02 n ALA 912 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1f02 s SER 913 N -2.70 3.90 -0.10 0.00 0.01 -1.26 -1.67 113.70 111.89 1f02 s SER 913 Ca 0.28 -0.95 -0.09 0.00 1.31 0.00 0.00 55.95 56.51 1f02 s SER 913 Cb 0.01 -0.46 0.03 0.00 0.21 0.00 0.00 66.02 65.80 1f02 s SER 913 CO 0.20 -0.02 0.26 0.42 0.41 0.00 0.00 173.24 174.51 1f02 s THR 914 N -2.47 -0.00 -0.02 1.44 -4.23 -0.49 -1.66 115.64 108.20 1f02 s THR 914 Ca 0.31 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 1f02 s THR 914 Cb -0.04 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 1f02 s THR 914 CO 0.17 0.00 -0.17 -0.47 -0.54 0.00 0.00 174.62 173.61 1f02 s TYR 915 N 0.22 2.59 -0.23 3.99 5.04 -0.84 -0.97 117.35 127.15 1f02 s TYR 915 Ca -0.01 -0.24 -0.08 0.00 -2.44 0.00 0.00 57.07 54.30 1f02 s TYR 915 Cb -0.02 -1.56 -0.04 0.00 0.35 0.00 0.00 41.96 40.69 1f02 s TYR 915 CO -0.00 0.16 0.10 0.34 -1.34 0.00 0.00 175.55 174.81 1f02 s ASP 916 N -0.91 5.60 0.00 4.32 -1.08 0.17 0.69 116.67 125.46 1f02 s ASP 916 Ca 0.12 -0.03 0.12 0.00 -0.52 0.00 0.00 52.55 52.24 1f02 s ASP 916 Cb -0.10 -2.00 0.72 0.00 -1.46 0.00 0.00 42.92 40.07 1f02 s ASP 916 CO 0.02 0.04 1.31 0.18 0.52 0.00 0.00 175.17 177.24 1f02 n LEU 917 N 4.40 0.00 0.05 -1.34 4.77 -0.66 -0.72 117.00 123.51 1f02 n LEU 917 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1f02 n LEU 917 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1f02 n LEU 917 CO 0.33 0.00 -0.15 0.52 -1.33 0.00 0.00 177.39 176.76 1f02 n VAL 918 N -0.73 0.44 0.59 4.08 0.31 -1.26 -1.01 118.33 120.74 1f02 n VAL 918 Ca 0.09 0.14 0.12 0.00 -0.01 0.00 0.00 64.34 64.68 1f02 n VAL 918 Cb 0.04 -1.18 0.18 0.00 -0.91 0.00 0.00 33.84 31.97 1f02 n VAL 918 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1f02 n LYS 919 N -3.19 0.28 0.00 5.55 5.02 -1.25 -4.53 118.16 120.04 1f02 n LYS 919 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1f02 n LYS 919 Cb 0.15 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1f02 n LYS 919 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1f02 n GLN 920 N -2.09 0.00 -1.51 1.97 6.02 0.10 -4.88 117.38 117.00 1f02 n GLN 920 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1f02 n GLN 920 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 1f02 n GLN 920 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1f02 n ASN 921 N 3.69 0.00 -4.73 1.08 5.15 -1.26 0.45 115.26 119.63 1f02 n ASN 921 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1f02 n ASN 921 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1f02 n ASN 921 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1f02 s PRO 922 N -0.88 4.29 0.14 1.20 0.04 -1.26 -4.30 135.00 134.22 1f02 s PRO 922 Ca 0.00 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.31 1f02 s PRO 922 Cb 0.00 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1f02 s PRO 922 CO 0.00 -0.43 -0.09 -0.51 0.04 0.00 0.00 177.00 176.01 1f02 s LEU 923 N 0.24 2.52 0.24 -3.56 1.43 -0.15 -4.99 118.68 114.41 1f02 s LEU 923 Ca 0.62 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1f02 s LEU 923 Cb -0.40 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 1f02 s LEU 923 CO 0.38 -0.36 0.11 0.20 0.23 0.00 0.00 176.35 176.90 1f02 s ASN 924 N -3.15 0.87 -1.24 2.29 0.01 -1.26 -1.40 114.94 111.06 1f02 s ASN 924 Ca 0.16 -1.39 -0.09 0.00 -0.71 0.00 0.00 52.86 50.84 1f02 s ASN 924 Cb 0.03 0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.91 1f02 s ASN 924 CO -0.00 -0.77 0.70 0.59 -1.51 0.00 0.00 177.10 176.11 1f02 n ASN 925 N -0.40 -3.11 -4.91 -1.22 3.02 -1.04 -4.97 115.26 102.64 1f02 n ASN 925 Ca 0.01 -0.92 -0.32 0.00 -0.03 0.00 0.00 54.58 53.31 1f02 n ASN 925 Cb 0.66 -3.70 -0.05 0.00 -0.61 0.00 0.00 39.78 36.09 1f02 n ASN 925 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1f02 s ILE 926 N -3.62 5.38 -0.29 2.41 -1.09 -0.67 -4.87 121.20 118.45 1f02 s ILE 926 Ca 0.23 -0.19 -0.32 0.00 -2.23 0.00 0.00 60.65 58.14 1f02 s ILE 926 Cb -0.07 -3.58 -0.09 0.00 -1.58 0.00 0.00 42.46 37.14 1f02 s ILE 926 CO 0.84 0.24 2.21 0.29 -1.23 0.00 0.00 174.94 177.29 1f02 n LYS 927 N 0.66 1.45 0.26 2.79 4.76 -1.26 -1.93 118.16 124.89 1f02 n LYS 927 Ca -0.08 0.39 0.14 0.00 -2.87 0.00 0.00 58.31 55.89 1f02 n LYS 927 Cb 0.52 -2.79 0.61 0.00 -1.84 0.00 0.00 35.03 31.53 1f02 n LYS 927 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f02 h ALA 928 N 13.56 1.03 0.05 7.82 0.00 -1.76 -3.28 119.26 136.69 1f02 h ALA 928 Ca -0.33 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.20 1f02 h ALA 928 Cb 1.29 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1f02 h ALA 928 CO 0.99 0.12 -1.62 -1.13 0.00 0.00 0.00 179.25 177.62 1f02 n SER 929 N -3.25 1.98 -4.76 0.00 3.41 -1.26 -2.40 113.62 107.34 1f02 n SER 929 Ca 0.00 0.33 -0.37 0.00 -0.26 0.00 0.00 58.87 58.57 1f02 n SER 929 Cb 0.34 -0.92 0.02 0.00 -0.26 0.00 0.00 64.21 63.40 1f02 n SER 929 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1f02 s GLU 930 N -2.45 3.22 -0.62 4.33 2.02 -1.24 -4.66 118.70 119.30 1f02 s GLU 930 Ca -0.26 1.87 -0.20 0.00 0.02 0.00 0.00 54.97 56.40 1f02 s GLU 930 Cb 0.06 -2.11 -0.17 0.00 0.10 0.00 0.00 34.13 32.01 1f02 s GLU 930 CO 0.67 -1.02 1.85 0.45 0.02 0.00 0.00 175.26 177.23 1f02 n SER 931 N -1.21 2.46 0.02 -0.19 2.88 -1.26 -4.47 113.62 111.86 1f02 n SER 931 Ca 0.11 -2.57 -0.19 0.00 -1.33 0.00 0.00 58.87 54.90 1f02 n SER 931 Cb 0.48 -0.98 -0.14 0.00 -0.75 0.00 0.00 64.21 62.83 1f02 n SER 931 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1f02 h ASN 932 N 8.04 0.39 -2.62 -3.46 2.35 -1.79 -3.38 115.58 115.12 1f02 h ASN 932 Ca 0.38 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1f02 h ASN 932 Cb 0.57 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1f02 h ASN 932 CO 1.86 1.66 0.00 0.00 -1.65 0.00 0.00 177.43 179.30 1f02 n ALA 933 N -2.86 0.00 -2.56 -0.83 0.00 -1.18 -4.87 120.51 108.22 1f02 n ALA 933 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.90 1f02 n ALA 933 Cb 1.05 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.41 1f02 n ALA 933 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1f02 s TYR 934 N -0.31 2.63 -1.04 0.00 2.02 -0.55 -0.33 117.35 119.77 1f02 s TYR 934 Ca 0.00 -0.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.29 1f02 s TYR 934 Cb 0.00 -1.31 0.11 0.00 -0.40 0.00 0.00 41.96 40.36 1f02 s TYR 934 CO 0.00 0.48 1.33 0.00 -1.57 0.00 0.00 175.55 175.79 1f02 s ALA 935 N -1.55 3.32 -0.39 3.71 0.00 -1.25 -2.66 121.76 122.94 1f02 s ALA 935 Ca 0.23 -2.77 -0.11 0.00 0.00 0.00 0.00 51.96 49.32 1f02 s ALA 935 Cb -0.09 -4.25 0.04 0.00 0.00 0.00 0.00 23.12 18.82 1f02 s ALA 935 CO 0.14 -3.14 0.23 0.95 0.00 0.00 0.00 175.76 173.95 1f02 s THR 936 N 3.21 4.56 -0.08 0.00 -4.23 -1.26 0.57 115.64 118.42 1f02 s THR 936 Ca 0.40 -0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 59.86 1f02 s THR 936 Cb -0.02 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1f02 s THR 936 CO -0.06 -0.31 0.19 0.00 -0.54 0.00 0.00 174.62 173.89 1f02 s VAL 938 N -1.11 5.00 0.00 0.00 -7.23 -1.11 -0.15 120.40 115.80 1f02 s VAL 938 Ca 0.19 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1f02 s VAL 938 Cb -0.13 -3.41 0.00 0.00 0.56 0.00 0.00 36.38 33.41 1f02 s VAL 938 CO 0.09 0.17 0.00 1.17 -0.31 0.00 0.00 175.10 176.21