#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2clq s LEU 671 N 0.00 4.36 -0.18 2.23 2.96 -1.26 -5.02 118.68 121.77 2clq s LEU 671 Ca 0.00 2.43 -0.06 0.00 -0.22 0.00 0.00 54.13 56.28 2clq s LEU 671 Cb 0.00 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2clq s LEU 671 CO 0.00 -0.92 0.02 -1.61 -1.32 0.00 0.00 176.35 172.53 2clq s GLU 672 N 3.27 3.81 0.09 1.98 2.02 -1.26 -5.10 118.70 123.51 2clq s GLU 672 Ca 0.75 -0.43 -0.06 0.00 0.02 0.00 0.00 54.97 55.25 2clq s GLU 672 Cb -0.38 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 2clq s GLU 672 CO 0.33 0.19 0.12 1.52 0.02 0.00 0.00 175.26 177.44 2clq s TYR 673 N 0.56 0.34 0.23 1.61 1.13 -1.26 -1.37 117.35 118.59 2clq s TYR 673 Ca 0.01 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 2clq s TYR 673 Cb -0.13 -0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.49 2clq s TYR 673 CO 0.02 -0.51 0.10 0.16 -2.51 0.00 0.00 175.55 172.81 2clq s ASP 674 N -2.90 0.82 0.48 -0.18 3.84 -0.91 -4.92 116.67 112.90 2clq s ASP 674 Ca 0.08 -1.37 -0.08 0.00 -0.00 0.00 0.00 52.55 51.18 2clq s ASP 674 Cb 0.06 0.24 -0.05 0.00 -1.38 0.00 0.00 42.92 41.79 2clq s ASP 674 CO -0.09 -0.76 0.83 -0.31 -0.00 0.00 0.00 175.17 174.84 2clq s TYR 675 N -3.89 3.54 0.12 2.11 1.51 -1.26 -0.76 117.35 118.71 2clq s TYR 675 Ca 0.37 1.00 -0.15 0.00 -1.01 0.00 0.00 57.07 57.28 2clq s TYR 675 Cb 0.07 -2.44 -0.07 0.00 -0.11 0.00 0.00 41.96 39.42 2clq s TYR 675 CO 0.12 -0.29 0.54 -2.00 -1.11 0.00 0.00 175.55 172.82 2clq s GLU 676 N -4.48 4.02 -0.00 -0.62 2.56 -0.24 -4.80 118.70 115.14 2clq s GLU 676 Ca 0.50 0.54 0.08 0.00 0.00 0.00 0.00 54.97 56.10 2clq s GLU 676 Cb -0.10 -3.02 -0.02 0.00 2.00 0.00 0.00 34.13 32.99 2clq s GLU 676 CO 0.41 0.53 -0.25 0.71 -0.56 0.00 0.00 175.26 176.10 2clq s TYR 677 N -1.36 2.35 0.00 5.30 1.51 -1.26 -1.19 117.35 122.70 2clq s TYR 677 Ca 0.35 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 2clq s TYR 677 Cb -0.16 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 2clq s TYR 677 CO 0.19 0.03 0.00 -0.40 -1.11 0.00 0.00 175.55 174.25 2clq n ASP 678 N 2.22 0.00 0.00 2.29 5.68 -0.04 -4.83 116.55 121.87 2clq n ASP 678 Ca -0.16 -0.60 0.14 0.00 -0.50 0.00 0.00 54.79 53.67 2clq n ASP 678 Cb 0.51 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.10 2clq n ASP 678 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2clq n GLU 679 N -0.60 0.01 0.02 0.11 4.71 -1.26 -2.54 120.64 121.09 2clq n GLU 679 Ca 0.00 0.01 0.11 0.00 -0.01 0.00 0.00 57.16 57.27 2clq n GLU 679 Cb 0.00 -1.51 0.03 0.00 -1.01 0.00 0.00 31.44 28.95 2clq n GLU 679 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2clq n ASN 680 N -1.52 0.62 0.00 1.62 3.02 -1.26 -4.97 115.26 112.77 2clq n ASN 680 Ca 0.07 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2clq n ASN 680 Cb 0.34 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.29 2clq n ASN 680 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2clq n GLY 681 N 1.39 0.85 3.92 7.41 0.00 -1.05 -5.10 105.19 112.60 2clq n GLY 681 Ca 0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2clq n GLY 681 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2clq s ASP 682 N -2.26 6.40 0.34 1.61 1.01 -1.26 -4.84 116.67 117.66 2clq s ASP 682 Ca 0.00 0.37 -0.29 0.00 0.71 0.00 0.00 52.55 53.34 2clq s ASP 682 Cb 0.00 -2.00 -0.11 0.00 1.01 0.00 0.00 42.92 41.82 2clq s ASP 682 CO 0.00 0.11 1.48 -0.13 0.21 0.00 0.00 175.17 176.84 2clq s ARG 683 N -2.69 4.16 -0.00 8.23 0.52 -1.26 -0.86 118.95 127.05 2clq s ARG 683 Ca 0.37 2.51 -0.30 0.00 -0.52 0.00 0.00 55.73 57.79 2clq s ARG 683 Cb -0.12 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.28 2clq s ARG 683 CO 0.27 -0.50 1.56 0.08 0.02 0.00 0.00 175.30 176.73 2clq s VAL 684 N -0.81 3.48 -0.29 3.52 1.01 -0.33 -4.75 120.40 122.24 2clq s VAL 684 Ca 0.55 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 2clq s VAL 684 Cb -0.46 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2clq s VAL 684 CO 0.57 -0.03 0.18 -0.69 0.00 0.00 0.00 175.10 175.14 2clq s VAL 685 N 3.07 5.15 0.12 2.92 1.01 -1.26 -1.55 120.40 129.86 2clq s VAL 685 Ca 0.70 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 2clq s VAL 685 Cb -0.34 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 2clq s VAL 685 CO 0.29 0.21 1.43 -0.07 0.00 0.00 0.00 175.10 176.96 2clq h LEU 686 N 8.37 0.86 -7.00 3.92 3.38 -0.34 -3.47 115.31 121.04 2clq h LEU 686 Ca -0.35 -0.48 0.32 0.00 0.09 0.00 0.00 57.88 57.46 2clq h LEU 686 Cb 1.18 -0.24 -0.21 0.00 0.09 0.00 0.00 40.66 41.48 2clq h LEU 686 CO 0.57 1.17 0.96 -0.83 0.09 0.00 0.00 178.44 180.40 2clq s GLY 687 N -3.77 -0.21 -0.31 0.83 0.00 -1.10 -5.02 107.32 97.74 2clq s GLY 687 Ca -0.12 1.88 -0.11 0.00 0.00 0.00 0.00 44.72 46.38 2clq s GLY 687 CO 0.86 0.63 0.18 0.54 0.00 0.00 0.00 173.10 175.30 2clq s LYS 688 N -2.08 3.56 0.18 2.90 3.01 -1.26 -0.36 119.74 125.68 2clq s LYS 688 Ca 0.11 -0.58 -0.01 0.00 -1.01 0.00 0.00 55.97 54.49 2clq s LYS 688 Cb -0.01 -3.64 0.04 0.00 -1.01 0.00 0.00 37.83 33.21 2clq s LYS 688 CO -0.03 -0.35 0.24 0.41 0.51 0.00 0.00 175.35 176.14 2clq n GLY 689 N 5.03 0.36 0.28 -3.33 0.00 0.91 -4.98 105.19 103.46 2clq n GLY 689 Ca -0.14 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 2clq n GLY 689 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2clq h THR 690 N -0.58 1.26 0.00 2.61 1.35 -1.99 -3.33 112.91 112.24 2clq h THR 690 Ca -0.08 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 2clq h THR 690 Cb 0.27 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2clq h THR 690 CO 0.08 0.40 -0.16 0.00 -0.25 0.00 0.00 175.52 175.59 2clq n TYR 691 N -4.26 0.00 -3.80 4.73 0.18 -1.26 -5.09 117.16 107.66 2clq n TYR 691 Ca 0.02 -0.37 -0.06 0.00 1.88 0.00 0.00 57.90 59.36 2clq n TYR 691 Cb 0.34 -0.07 -0.02 0.00 -0.38 0.00 0.00 39.34 39.21 2clq n TYR 691 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 2clq s GLY 692 N -1.31 -0.17 -0.12 -7.48 0.00 -1.25 -4.49 107.32 92.50 2clq s GLY 692 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.66 2clq s GLY 692 CO 0.01 -0.04 -0.02 -0.42 0.00 0.00 0.00 173.10 172.62 2clq s ILE 693 N -3.72 4.04 -0.25 0.90 1.01 -1.08 -0.06 121.20 122.03 2clq s ILE 693 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 2clq s ILE 693 Cb -0.04 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 2clq s ILE 693 CO 0.04 0.54 0.16 -0.69 0.00 0.00 0.00 174.94 175.00 2clq s VAL 694 N -0.19 5.24 0.19 2.92 1.01 0.52 -1.02 120.40 129.07 2clq s VAL 694 Ca 0.04 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.23 2clq s VAL 694 Cb -0.13 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2clq s VAL 694 CO 0.02 0.31 0.06 -0.31 0.00 0.00 0.00 175.10 175.19 2clq s TYR 695 N 1.35 2.95 -0.06 5.22 1.51 -0.19 0.40 117.35 128.53 2clq s TYR 695 Ca 0.07 -0.11 -0.19 0.00 -1.01 0.00 0.00 57.07 55.83 2clq s TYR 695 Cb -0.15 -1.40 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2clq s TYR 695 CO 0.07 0.53 0.53 0.00 -1.11 0.00 0.00 175.55 175.57 2clq s ALA 696 N -1.85 3.49 0.00 3.71 0.00 -0.60 -1.06 121.76 125.45 2clq s ALA 696 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2clq s ALA 696 Cb -0.09 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.35 2clq s ALA 696 CO 0.21 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2clq n GLY 697 N 2.83 3.99 3.24 0.00 0.00 -0.33 -1.08 105.19 113.84 2clq n GLY 697 Ca -0.07 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 2clq n GLY 697 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2clq s ARG 698 N -1.50 0.81 -0.12 1.61 1.70 0.06 -1.80 118.95 119.71 2clq s ARG 698 Ca 0.00 -0.57 -0.28 0.00 -0.47 0.00 0.00 55.73 54.41 2clq s ARG 698 Cb 0.00 0.35 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 2clq s ARG 698 CO 0.00 -0.26 0.94 0.34 -1.08 0.00 0.00 175.30 175.24 2clq s ASP 699 N -2.17 7.16 0.00 -2.89 -1.08 0.70 -2.14 116.67 116.25 2clq s ASP 699 Ca -0.04 1.42 0.29 0.00 -0.52 0.00 0.00 52.55 53.70 2clq s ASP 699 Cb -0.00 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 40.17 2clq s ASP 699 CO -0.04 -0.41 1.92 0.18 0.52 0.00 0.00 175.17 177.33 2clq n LEU 700 N 4.98 0.04 0.14 -1.34 4.77 -0.47 0.95 117.00 126.06 2clq n LEU 700 Ca 0.07 0.43 -0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2clq n LEU 700 Cb 0.49 -0.45 0.19 0.00 -2.33 0.00 0.00 43.42 41.31 2clq n LEU 700 CO 0.51 0.01 0.51 0.77 -1.33 0.00 0.00 177.39 177.86 2clq h SER 701 N 0.01 0.00 0.00 -1.43 4.64 -1.93 -3.39 113.55 111.46 2clq h SER 701 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2clq h SER 701 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2clq h SER 701 CO 0.00 0.58 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 2clq n ASN 702 N -3.71 0.00 -0.68 4.97 0.23 -1.17 -5.02 115.26 109.88 2clq n ASN 702 Ca -0.01 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 52.95 2clq n ASN 702 Cb 0.61 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.27 2clq n ASN 702 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2clq n GLN 703 N 0.00 -0.91 -3.01 -3.83 1.13 0.27 -4.99 117.38 106.03 2clq n GLN 703 Ca 0.00 0.76 -0.40 0.00 -1.94 0.00 0.00 57.00 55.42 2clq n GLN 703 Cb 0.30 -4.73 -0.05 0.00 0.11 0.00 0.00 30.24 25.87 2clq n GLN 703 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2clq s VAL 704 N -2.19 4.70 0.47 5.09 1.01 -1.19 -4.72 120.40 123.57 2clq s VAL 704 Ca 0.00 1.59 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 2clq s VAL 704 Cb 0.00 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2clq s VAL 704 CO 0.00 0.40 1.21 -0.13 0.00 0.00 0.00 175.10 176.57 2clq s ARG 705 N -0.24 3.69 0.05 2.72 0.52 -1.26 -0.21 118.95 124.22 2clq s ARG 705 Ca 0.37 1.88 0.03 0.00 -0.52 0.00 0.00 55.73 57.49 2clq s ARG 705 Cb -0.21 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 2clq s ARG 705 CO 0.23 -0.64 -0.09 0.96 0.02 0.00 0.00 175.30 175.78 2clq s ILE 706 N -1.47 0.68 -0.14 1.52 -4.36 -0.75 -4.06 121.20 112.62 2clq s ILE 706 Ca 0.64 -1.20 -0.09 0.00 -0.26 0.00 0.00 60.65 59.74 2clq s ILE 706 Cb -0.31 -0.80 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 2clq s ILE 706 CO 0.38 -0.39 0.15 0.00 0.24 0.00 0.00 174.94 175.33 2clq s ALA 707 N -1.54 3.80 -0.27 2.27 0.00 -0.26 -1.19 121.76 124.58 2clq s ALA 707 Ca -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2clq s ALA 707 Cb -0.09 -2.07 0.08 0.00 0.00 0.00 0.00 23.12 21.04 2clq s ALA 707 CO 0.00 0.45 0.02 0.42 0.00 0.00 0.00 175.76 176.65 2clq s ILE 708 N -0.54 1.40 -0.16 0.00 1.01 -0.22 -0.47 121.20 122.22 2clq s ILE 708 Ca 0.13 -1.42 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 2clq s ILE 708 Cb -0.12 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 2clq s ILE 708 CO 0.03 -0.36 0.94 -0.75 0.00 0.00 0.00 174.94 174.79 2clq s LYS 709 N 1.40 4.33 -0.27 2.79 2.20 -0.28 -1.02 119.74 128.89 2clq s LYS 709 Ca 0.02 1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 56.85 2clq s LYS 709 Cb -0.18 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.60 2clq s LYS 709 CO -0.12 -0.40 -0.05 -1.21 -0.36 0.00 0.00 175.35 173.21 2clq s GLU 710 N 2.38 2.60 -0.17 4.03 2.02 -0.19 -0.78 118.70 128.59 2clq s GLU 710 Ca 0.43 -1.14 -0.06 0.00 0.02 0.00 0.00 54.97 54.23 2clq s GLU 710 Cb -0.17 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 2clq s GLU 710 CO 0.13 -0.51 0.02 0.42 0.02 0.00 0.00 175.26 175.34 2clq s ILE 711 N 1.27 4.39 0.25 -1.63 1.09 -0.18 -2.65 121.20 123.74 2clq s ILE 711 Ca -0.03 -0.18 -0.31 0.00 -1.10 0.00 0.00 60.65 59.03 2clq s ILE 711 Cb -0.18 -2.96 -0.12 0.00 -1.06 0.00 0.00 42.46 38.14 2clq s ILE 711 CO -0.03 0.48 1.64 -2.65 -0.10 0.00 0.00 174.94 174.27 2clq n PRO 712 N 3.52 2.67 -2.85 2.79 -0.02 -1.26 -0.47 135.00 139.38 2clq n PRO 712 Ca -0.17 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 2clq n PRO 712 Cb 0.52 -2.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 2clq n PRO 712 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2clq s GLU 713 N 0.29 3.94 -0.05 -0.52 -1.05 -0.76 -4.78 118.70 115.77 2clq s GLU 713 Ca 0.70 0.67 0.02 0.00 -0.15 0.00 0.00 54.97 56.20 2clq s GLU 713 Cb -0.52 -3.75 0.06 0.00 -0.44 0.00 0.00 34.13 29.48 2clq s GLU 713 CO 0.41 -0.80 0.55 0.54 0.95 0.00 0.00 175.26 176.91 2clq n ARG 714 N 6.49 0.20 0.00 -4.83 5.12 -1.26 -4.94 116.66 117.44 2clq n ARG 714 Ca 0.06 -0.34 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 2clq n ARG 714 Cb 0.48 0.33 0.00 0.00 -1.16 0.00 0.00 32.46 32.11 2clq n ARG 714 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2clq n SER 719 N -0.23 0.00 0.23 0.55 3.41 -1.26 -5.25 113.62 111.08 2clq n SER 719 Ca -0.07 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.61 2clq n SER 719 Cb 0.50 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.00 2clq n SER 719 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2clq h GLN 720 N 0.00 0.00 -0.37 4.33 -0.00 -2.05 -2.93 115.11 114.09 2clq h GLN 720 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 2clq h GLN 720 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.44 2clq h GLN 720 CO 0.00 0.18 0.14 -1.35 -0.00 0.00 0.00 178.83 177.81 2clq h PRO 721 N 0.00 0.30 -0.29 0.06 0.11 -2.04 -1.00 132.00 129.13 2clq h PRO 721 Ca -0.00 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2clq h PRO 721 Cb 0.36 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 2clq h PRO 721 CO 0.02 0.20 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.70 2clq h LEU 722 N 0.30 0.71 -0.53 2.35 4.07 -1.98 -0.41 115.31 119.83 2clq h LEU 722 Ca 0.17 -0.45 0.10 0.00 0.08 0.00 0.00 57.88 57.77 2clq h LEU 722 Cb 0.13 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 41.59 2clq h LEU 722 CO -0.16 1.01 0.08 0.45 -1.08 0.00 0.00 178.44 178.74 2clq h HIS 723 N 0.41 0.12 -0.39 1.13 3.86 -1.47 -2.23 115.15 116.58 2clq h HIS 723 Ca 0.05 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.15 2clq h HIS 723 Cb 0.79 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 2clq h HIS 723 CO 0.07 -0.04 -0.32 0.93 0.86 0.00 0.00 177.93 179.43 2clq h GLU 724 N 0.21 0.87 -0.81 2.45 5.08 -1.00 -2.27 114.58 119.11 2clq h GLU 724 Ca 0.27 -0.41 0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2clq h GLU 724 Cb 0.39 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 2clq h GLU 724 CO -0.37 1.06 0.48 0.93 -1.00 0.00 0.00 179.01 180.10 2clq h GLU 725 N 0.73 0.81 -0.07 2.33 5.08 -0.75 -1.30 114.58 121.41 2clq h GLU 725 Ca 0.08 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 2clq h GLU 725 Cb 0.88 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2clq h GLU 725 CO 0.08 0.54 -0.82 0.82 -1.00 0.00 0.00 179.01 178.62 2clq h ILE 726 N 0.83 1.36 -0.05 3.13 2.04 -1.17 -2.16 117.51 121.48 2clq h ILE 726 Ca 0.38 -2.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 2clq h ILE 726 Cb 0.28 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2clq h ILE 726 CO -0.21 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.61 2clq h ALA 727 N 0.76 0.07 -0.91 1.87 0.00 -1.30 0.52 119.26 120.27 2clq h ALA 727 Ca -0.06 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.88 2clq h ALA 727 Cb 1.43 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.09 2clq h ALA 727 CO 0.15 -0.26 0.47 1.25 0.00 0.00 0.00 179.25 180.85 2clq h LEU 728 N -0.18 0.52 0.00 0.00 5.85 -1.23 -2.48 115.31 117.79 2clq h LEU 728 Ca 0.02 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 2clq h LEU 728 Cb 0.32 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2clq h LEU 728 CO 0.00 0.15 -0.66 0.45 -0.34 0.00 0.00 178.44 178.03 2clq h HIS 729 N 0.57 0.00 -0.77 1.25 3.86 -1.23 -3.24 115.15 115.59 2clq h HIS 729 Ca 0.53 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.91 2clq h HIS 729 Cb 0.89 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.21 2clq h HIS 729 CO -0.08 0.18 -0.10 0.87 0.86 0.00 0.00 177.93 179.66 2clq h LYS 730 N 0.00 0.04 -0.47 2.45 1.57 -0.40 -2.85 116.57 116.90 2clq h LYS 730 Ca -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2clq h LYS 730 Cb 1.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2clq h LYS 730 CO 0.02 0.02 0.00 0.72 -0.57 0.00 0.00 179.45 179.64 2clq n HIS 731 N -5.44 0.62 -2.87 -1.35 8.25 -1.24 -4.91 115.22 108.28 2clq n HIS 731 Ca 0.12 -0.40 -0.41 0.00 -0.26 0.00 0.00 57.72 56.77 2clq n HIS 731 Cb 0.44 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 2clq n HIS 731 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2clq s LEU 732 N -1.11 4.28 -0.22 2.41 1.43 -1.08 -5.02 118.68 119.37 2clq s LEU 732 Ca 0.35 1.35 -0.05 0.00 -1.03 0.00 0.00 54.13 54.75 2clq s LEU 732 Cb 0.19 -3.31 0.11 0.00 0.03 0.00 0.00 46.19 43.22 2clq s LEU 732 CO 0.26 -0.28 0.40 -0.75 0.23 0.00 0.00 176.35 176.21 2clq s LYS 733 N 1.41 0.34 -0.17 1.70 2.47 -1.26 -4.68 119.74 119.55 2clq s LYS 733 Ca 0.43 0.81 -0.28 0.00 -1.56 0.00 0.00 55.97 55.36 2clq s LYS 733 Cb -0.18 -0.03 0.09 0.00 -1.46 0.00 0.00 37.83 36.25 2clq s LYS 733 CO 0.19 -0.44 0.79 -1.58 0.16 0.00 0.00 175.35 174.47 2clq s HIS 734 N 2.59 -0.63 0.59 4.03 5.04 -1.26 -5.04 115.29 120.60 2clq s HIS 734 Ca 0.06 1.31 0.40 0.00 -1.54 0.00 0.00 55.06 55.29 2clq s HIS 734 Cb -0.14 0.37 2.18 0.00 0.04 0.00 0.00 32.58 35.03 2clq s HIS 734 CO -0.14 -0.45 2.30 1.57 -2.34 0.00 0.00 174.74 175.68 2clq h LYS 735 N 3.72 0.00 -0.34 2.88 2.10 -1.98 -1.82 116.57 121.13 2clq h LYS 735 Ca -0.26 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.26 2clq h LYS 735 Cb 1.15 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.41 2clq h LYS 735 CO 0.23 0.01 -0.01 0.09 -2.00 0.00 0.00 179.45 177.77 2clq n ASN 736 N -3.25 3.03 -3.93 7.07 5.03 -1.26 -4.75 115.26 117.19 2clq n ASN 736 Ca -0.03 -3.49 -0.20 0.00 0.87 0.00 0.00 54.58 51.74 2clq n ASN 736 Cb 0.10 -0.61 -0.16 0.00 -1.02 0.00 0.00 39.78 38.10 2clq n ASN 736 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2clq s ILE 737 N -3.10 0.60 0.19 2.41 1.09 -0.69 -1.20 121.20 120.50 2clq s ILE 737 Ca 0.44 -0.21 -0.32 0.00 -1.10 0.00 0.00 60.65 59.46 2clq s ILE 737 Cb 0.38 -0.58 -0.12 0.00 -1.06 0.00 0.00 42.46 41.08 2clq s ILE 737 CO 0.04 0.22 1.73 0.52 -0.10 0.00 0.00 174.94 177.34 2clq n VAL 738 N 3.69 0.06 -2.67 2.92 0.31 0.01 -4.56 118.33 118.09 2clq n VAL 738 Ca -0.22 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.67 2clq n VAL 738 Cb 0.53 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 2clq n VAL 738 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2clq s GLN 739 N 1.41 4.30 -0.00 5.55 2.00 -1.26 -4.94 119.66 126.71 2clq s GLN 739 Ca 0.77 1.36 -0.30 0.00 -2.00 0.00 0.00 55.36 55.19 2clq s GLN 739 Cb -0.52 -3.61 -0.03 0.00 0.80 0.00 0.00 33.01 29.64 2clq s GLN 739 CO 0.34 -0.55 1.02 -0.47 -0.50 0.00 0.00 175.29 175.13 2clq s TYR 740 N 2.88 3.60 -0.16 1.67 5.04 -1.26 -1.23 117.35 127.89 2clq s TYR 740 Ca 0.45 1.62 0.10 0.00 -2.44 0.00 0.00 57.07 56.80 2clq s TYR 740 Cb -0.16 -3.17 -0.17 0.00 0.35 0.00 0.00 41.96 38.81 2clq s TYR 740 CO 0.09 -0.23 -0.02 1.28 -1.34 0.00 0.00 175.55 175.33 2clq n LEU 741 N 4.05 0.91 0.00 6.97 4.77 0.73 -4.94 117.00 129.48 2clq n LEU 741 Ca 0.07 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2clq n LEU 741 Cb 0.50 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2clq n LEU 741 CO 0.53 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 2clq n GLY 742 N 2.21 -2.33 3.44 -0.72 0.00 -1.14 -5.00 105.19 101.65 2clq n GLY 742 Ca -0.28 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 2clq n GLY 742 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2clq s SER 743 N -0.63 -0.58 0.09 1.61 1.04 -1.26 -0.01 113.70 113.96 2clq s SER 743 Ca 0.00 0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.28 2clq s SER 743 Cb 0.00 0.59 0.08 0.00 0.10 0.00 0.00 66.02 66.79 2clq s SER 743 CO 0.00 -0.91 0.94 0.72 0.98 0.00 0.00 173.24 174.97 2clq s PHE 744 N -3.35 -0.20 0.12 5.02 -0.71 -0.82 -5.01 117.98 113.03 2clq s PHE 744 Ca -0.01 -0.04 -0.15 0.00 -1.04 0.00 0.00 56.93 55.69 2clq s PHE 744 Cb -0.01 0.60 -0.07 0.00 -1.21 0.00 0.00 43.02 42.34 2clq s PHE 744 CO -0.09 -0.71 0.53 0.45 -1.34 0.00 0.00 175.22 174.05 2clq s SER 745 N -2.79 6.85 -0.20 1.98 0.15 -1.26 -0.87 113.70 117.57 2clq s SER 745 Ca 0.10 1.08 -0.28 0.00 0.70 0.00 0.00 55.95 57.55 2clq s SER 745 Cb -0.01 -2.29 0.11 0.00 -1.71 0.00 0.00 66.02 62.12 2clq s SER 745 CO -0.02 0.16 0.94 -0.70 1.20 0.00 0.00 173.24 174.82 2clq s GLU 746 N -1.73 0.64 -1.04 5.44 2.12 0.17 -4.96 118.70 119.34 2clq s GLU 746 Ca 0.35 0.41 -0.13 0.00 0.36 0.00 0.00 54.97 55.96 2clq s GLU 746 Cb -0.16 0.31 0.13 0.00 0.26 0.00 0.00 34.13 34.67 2clq s GLU 746 CO 0.19 -0.15 0.33 0.27 -0.54 0.00 0.00 175.26 175.36 2clq n ASN 747 N 1.50 -1.34 0.00 -1.70 6.94 -1.26 -0.54 115.26 118.87 2clq n ASN 747 Ca -0.13 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.91 2clq n ASN 747 Cb 0.57 -1.21 0.00 0.00 -2.36 0.00 0.00 39.78 36.78 2clq n ASN 747 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2clq n GLY 748 N -0.79 0.76 3.18 4.83 0.00 -1.26 -5.06 105.19 106.85 2clq n GLY 748 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2clq n GLY 748 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2clq s PHE 749 N -2.26 1.80 -0.13 1.61 0.40 0.30 -1.82 117.98 117.89 2clq s PHE 749 Ca 0.00 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 2clq s PHE 749 Cb 0.00 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 2clq s PHE 749 CO 0.00 -0.10 1.06 0.42 0.70 0.00 0.00 175.22 177.30 2clq s ILE 750 N -0.26 4.66 -0.13 0.64 1.01 0.38 -0.66 121.20 126.85 2clq s ILE 750 Ca 0.03 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.63 2clq s ILE 750 Cb -0.10 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 2clq s ILE 750 CO 0.01 -0.04 -0.15 -0.54 0.00 0.00 0.00 174.94 174.21 2clq s LYS 751 N 2.38 3.32 -0.18 2.79 1.02 -0.05 -1.01 119.74 128.01 2clq s LYS 751 Ca 0.49 -0.72 -0.00 0.00 0.02 0.00 0.00 55.97 55.75 2clq s LYS 751 Cb -0.19 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2clq s LYS 751 CO 0.16 0.18 -0.15 0.42 -0.92 0.00 0.00 175.35 175.04 2clq s ILE 752 N 0.41 2.55 -0.14 2.17 1.09 0.04 -1.93 121.20 125.38 2clq s ILE 752 Ca -0.11 -0.79 -0.11 0.00 -1.10 0.00 0.00 60.65 58.54 2clq s ILE 752 Cb -0.16 -2.10 -0.05 0.00 -1.06 0.00 0.00 42.46 39.10 2clq s ILE 752 CO 0.06 0.51 0.22 -0.36 -0.10 0.00 0.00 174.94 175.26 2clq s PHE 753 N 1.16 3.52 0.12 3.97 0.08 0.99 -1.13 117.98 126.69 2clq s PHE 753 Ca 0.01 0.56 -0.00 0.00 0.12 0.00 0.00 56.93 57.62 2clq s PHE 753 Cb -0.14 -2.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2clq s PHE 753 CO -0.06 0.45 0.01 -1.64 -0.10 0.00 0.00 175.22 173.88 2clq s MET 754 N -0.20 0.88 0.76 0.44 -1.94 0.38 -0.19 119.30 119.44 2clq s MET 754 Ca 0.15 -1.39 -0.13 0.00 -1.71 0.00 0.00 55.69 52.61 2clq s MET 754 Cb -0.13 0.06 0.06 0.00 2.01 0.00 0.00 34.83 36.83 2clq s MET 754 CO 0.04 -0.16 1.14 -1.83 -0.01 0.00 0.00 175.02 174.19 2clq s GLU 755 N -3.96 2.07 -0.11 2.03 -1.05 -0.37 -1.10 118.70 116.22 2clq s GLU 755 Ca 0.18 1.48 -0.02 0.00 -0.15 0.00 0.00 54.97 56.46 2clq s GLU 755 Cb 0.07 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.87 2clq s GLU 755 CO -0.01 -1.83 -0.01 -1.14 0.95 0.00 0.00 175.26 173.22 2clq s GLN 756 N -4.37 3.18 -0.23 -4.83 0.74 -1.26 -4.17 119.66 108.73 2clq s GLN 756 Ca 0.68 -0.43 -0.11 0.00 0.05 0.00 0.00 55.36 55.54 2clq s GLN 756 Cb -0.23 -2.83 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 2clq s GLN 756 CO 0.50 0.58 0.18 0.08 -0.55 0.00 0.00 175.29 176.07 2clq s VAL 757 N -0.54 5.36 -0.75 1.34 1.01 -1.26 -4.99 120.40 120.57 2clq s VAL 757 Ca 0.09 0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 2clq s VAL 757 Cb -0.12 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2clq s VAL 757 CO 0.02 0.36 1.24 -2.16 0.00 0.00 0.00 175.10 174.56 2clq s PRO 758 N 0.91 3.21 0.00 2.72 0.04 -1.26 -4.68 135.00 135.93 2clq s PRO 758 Ca 0.09 -0.40 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2clq s PRO 758 Cb -0.13 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2clq s PRO 758 CO 0.03 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.38 2clq n GLY 759 N 5.47 -0.44 0.00 0.56 0.00 -1.25 -1.11 105.19 108.42 2clq n GLY 759 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2clq n GLY 759 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2clq n GLY 760 N 0.00 1.57 3.75 -0.02 0.00 -1.08 -4.98 105.19 104.43 2clq n GLY 760 Ca 0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 2clq n GLY 760 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2clq s SER 761 N -0.63 5.02 0.22 1.61 1.04 -1.26 -0.80 113.70 118.90 2clq s SER 761 Ca 0.00 2.22 -0.08 0.00 0.48 0.00 0.00 55.95 58.57 2clq s SER 761 Cb 0.00 -2.58 0.28 0.00 0.10 0.00 0.00 66.02 63.83 2clq s SER 761 CO 0.00 -1.70 1.81 0.25 0.98 0.00 0.00 173.24 174.58 2clq h LEU 762 N 0.39 0.58 -0.68 2.42 5.85 -0.72 -1.52 115.31 121.62 2clq h LEU 762 Ca -0.49 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.28 2clq h LEU 762 Cb 1.27 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2clq h LEU 762 CO 0.54 0.36 0.45 0.77 -0.34 0.00 0.00 178.44 180.22 2clq h SER 763 N 0.71 0.78 -0.24 1.25 4.64 -1.81 0.20 113.55 119.08 2clq h SER 763 Ca 0.33 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.56 2clq h SER 763 Cb 0.23 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2clq h SER 763 CO -0.20 0.56 -0.11 0.00 -0.87 0.00 0.00 176.83 176.21 2clq h ALA 764 N 1.25 0.34 -0.22 5.18 0.00 -1.81 -1.54 119.26 122.45 2clq h ALA 764 Ca 0.25 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2clq h ALA 764 Cb -0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2clq h ALA 764 CO -0.05 0.19 -0.11 -0.07 0.00 0.00 0.00 179.25 179.20 2clq h LEU 765 N 0.22 -0.37 -0.26 0.00 3.38 -1.07 0.67 115.31 117.89 2clq h LEU 765 Ca 0.05 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.17 2clq h LEU 765 Cb 0.61 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2clq h LEU 765 CO 0.03 -0.14 -0.11 -0.07 0.09 0.00 0.00 178.44 178.24 2clq h LEU 766 N -0.09 -0.37 -0.37 1.67 3.38 -0.47 0.46 115.31 119.52 2clq h LEU 766 Ca 0.12 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2clq h LEU 766 Cb 0.27 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2clq h LEU 766 CO -0.27 -0.14 -0.00 -0.09 0.09 0.00 0.00 178.44 178.02 2clq h ARG 767 N -0.07 0.65 0.00 1.13 2.43 -1.01 0.48 114.38 118.00 2clq h ARG 767 Ca 0.13 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2clq h ARG 767 Cb 0.27 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2clq h ARG 767 CO -0.30 0.76 -1.77 0.43 -1.51 0.00 0.00 179.97 177.58 2clq n SER 768 N -4.48 1.30 0.00 -3.80 7.64 0.21 -4.78 113.62 109.71 2clq n SER 768 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2clq n SER 768 Cb 0.28 1.65 0.00 0.00 -1.01 0.00 0.00 64.21 65.13 2clq n SER 768 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2clq n LYS 769 N -2.11 0.00 -0.11 1.43 4.76 -0.19 -4.96 118.16 116.98 2clq n LYS 769 Ca -0.05 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.17 2clq n LYS 769 Cb 0.48 -0.52 -0.12 0.00 -1.84 0.00 0.00 35.03 33.03 2clq n LYS 769 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 2clq n TRP 770 N -2.61 0.28 -3.52 2.13 8.01 -0.02 -5.02 117.44 116.68 2clq n TRP 770 Ca 0.00 0.07 0.01 0.00 -1.31 0.00 0.00 57.50 56.27 2clq n TRP 770 Cb 0.34 -1.03 -0.00 0.00 -2.01 0.00 0.00 31.31 28.61 2clq n TRP 770 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2clq n GLY 771 N 1.93 -1.94 3.64 6.99 0.00 0.16 -4.88 105.19 111.10 2clq n GLY 771 Ca -0.45 -1.37 -0.47 0.00 0.00 0.00 0.00 46.02 43.74 2clq n GLY 771 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2clq n PRO 772 N -0.58 1.78 -0.18 1.61 -0.02 -1.26 -4.75 135.00 131.60 2clq n PRO 772 Ca 0.00 0.64 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 2clq n PRO 772 Cb 0.02 -2.29 0.20 0.00 -0.02 0.00 0.00 33.50 31.42 2clq n PRO 772 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2clq n LEU 773 N 2.46 3.37 -0.36 2.45 7.99 -0.29 -4.64 117.00 127.99 2clq n LEU 773 Ca 0.14 -1.52 0.02 0.00 -0.01 0.00 0.00 56.01 54.64 2clq n LEU 773 Cb 0.28 -0.24 0.08 0.00 -0.11 0.00 0.00 43.42 43.43 2clq n LEU 773 CO 0.62 0.73 0.59 1.17 -1.51 0.00 0.00 177.39 179.00 2clq n LYS 774 N 1.39 -0.16 0.00 3.23 4.81 -0.72 -0.31 118.16 126.40 2clq n LYS 774 Ca 0.18 1.48 0.15 0.00 -0.87 0.00 0.00 58.31 59.26 2clq n LYS 774 Cb 0.58 -2.21 0.85 0.00 0.02 0.00 0.00 35.03 34.27 2clq n LYS 774 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2clq n ASP 775 N -5.48 0.23 -3.75 3.14 8.00 -1.26 -4.24 116.55 113.19 2clq n ASP 775 Ca 0.12 -0.95 -0.28 0.00 0.71 0.00 0.00 54.79 54.39 2clq n ASP 775 Cb 0.43 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.39 2clq n ASP 775 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2clq n ASN 776 N -0.87 3.30 0.19 -2.24 2.85 0.57 -4.89 115.26 114.17 2clq n ASN 776 Ca 0.22 -3.29 0.06 0.00 -0.11 0.00 0.00 54.58 51.45 2clq n ASN 776 Cb 0.17 -0.74 0.34 0.00 1.24 0.00 0.00 39.78 40.79 2clq n ASN 776 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2clq h GLU 777 N 5.00 0.00 -0.22 1.20 5.08 -1.74 -2.50 114.58 121.40 2clq h GLU 777 Ca 0.17 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2clq h GLU 777 Cb 0.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2clq h GLU 777 CO 0.76 0.37 -0.15 0.37 -1.00 0.00 0.00 179.01 179.36 2clq h GLN 778 N 0.00 -0.14 -0.50 2.33 4.15 -1.92 0.19 115.11 119.23 2clq h GLN 778 Ca -0.00 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 2clq h GLN 778 Cb 0.89 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 2clq h GLN 778 CO 0.05 -0.09 -0.13 1.15 -1.93 0.00 0.00 178.83 177.87 2clq h THR 779 N -0.14 1.27 0.12 2.39 2.02 -1.89 -0.80 112.91 115.88 2clq h THR 779 Ca 0.13 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 2clq h THR 779 Cb 0.33 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2clq h THR 779 CO -0.31 0.45 -0.06 0.40 0.37 0.00 0.00 175.52 176.37 2clq h ILE 780 N 0.83 0.92 -0.59 3.11 2.04 -1.14 -2.11 117.51 120.58 2clq h ILE 780 Ca 0.13 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.93 2clq h ILE 780 Cb 0.70 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 2clq h ILE 780 CO 0.05 0.04 0.21 1.23 0.00 0.00 0.00 178.15 179.68 2clq h GLY 781 N -0.23 0.81 0.74 5.37 0.00 -0.57 0.25 103.07 109.44 2clq h GLY 781 Ca -0.02 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.26 2clq h GLY 781 CO 0.03 -0.02 0.52 -2.75 0.00 0.00 0.00 176.54 174.32 2clq h PHE 782 N 0.39 0.97 0.00 5.60 3.04 -0.92 -1.13 116.94 124.89 2clq h PHE 782 Ca 0.29 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 62.03 2clq h PHE 782 Cb 0.35 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 2clq h PHE 782 CO -0.17 0.50 -1.54 1.88 -2.02 0.00 0.00 178.31 176.96 2clq h TYR 783 N 0.96 0.00 -0.48 0.41 -1.99 -1.13 -3.33 116.97 111.41 2clq h TYR 783 Ca 0.36 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.06 2clq h TYR 783 Cb 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 2clq h TYR 783 CO -0.03 0.85 0.16 1.15 -0.00 0.00 0.00 178.16 180.29 2clq h THR 784 N 0.00 1.22 -0.76 -2.88 2.02 -0.37 -1.94 112.91 110.21 2clq h THR 784 Ca -0.22 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 2clq h THR 784 Cb 1.85 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 2clq h THR 784 CO 0.07 0.26 0.45 0.50 0.37 0.00 0.00 175.52 177.17 2clq h LYS 785 N 0.64 1.03 -0.25 6.66 3.64 -1.35 -1.48 116.57 125.45 2clq h LYS 785 Ca 0.16 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 2clq h LYS 785 Cb 0.25 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2clq h LYS 785 CO -0.01 0.73 -0.42 1.96 -2.27 0.00 0.00 179.45 179.44 2clq h GLN 786 N 1.05 0.73 -0.77 1.90 4.20 -1.63 -1.10 115.11 119.49 2clq h GLN 786 Ca 0.27 -0.45 0.07 0.00 0.06 0.00 0.00 58.65 58.61 2clq h GLN 786 Cb -0.03 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 2clq h GLN 786 CO -0.05 1.07 0.44 0.82 -0.67 0.00 0.00 178.83 180.45 2clq h ILE 787 N 0.47 0.95 -0.45 2.54 2.04 -0.88 -1.85 117.51 120.34 2clq h ILE 787 Ca 0.02 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2clq h ILE 787 Cb 1.02 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2clq h ILE 787 CO 0.10 0.14 -0.06 -0.07 0.00 0.00 0.00 178.15 178.26 2clq h LEU 788 N 0.78 0.76 -0.47 1.44 3.38 -1.08 -1.05 115.31 119.07 2clq h LEU 788 Ca 0.35 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2clq h LEU 788 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2clq h LEU 788 CO -0.21 0.86 -0.25 -0.33 0.09 0.00 0.00 178.44 178.60 2clq h GLU 789 N 0.72 1.00 -0.63 1.13 5.08 -0.93 0.86 114.58 121.81 2clq h GLU 789 Ca 0.13 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2clq h GLU 789 Cb 0.52 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2clq h GLU 789 CO 0.03 1.12 0.35 0.78 -1.00 0.00 0.00 179.01 180.29 2clq h GLY 790 N 0.85 0.94 1.10 -3.84 0.00 -1.11 -2.40 103.07 98.60 2clq h GLY 790 Ca 0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 2clq h GLY 790 CO 0.07 0.40 -0.22 1.41 0.00 0.00 0.00 176.54 178.20 2clq h LEU 791 N 0.86 1.01 -0.58 3.11 3.38 -1.05 -1.80 115.31 120.24 2clq h LEU 791 Ca 0.22 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2clq h LEU 791 Cb 0.03 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2clq h LEU 791 CO -0.04 1.19 0.29 0.50 0.09 0.00 0.00 178.44 180.47 2clq h LYS 792 N 0.83 0.54 -0.13 1.13 1.63 -0.78 0.38 116.57 120.17 2clq h LYS 792 Ca 0.10 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2clq h LYS 792 Cb 0.81 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 2clq h LYS 792 CO 0.07 0.36 0.04 -0.92 -3.45 0.00 0.00 179.45 175.55 2clq h TYR 793 N 0.56 0.08 -0.19 1.91 5.03 -1.04 0.36 116.97 123.67 2clq h TYR 793 Ca 0.26 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.57 2clq h TYR 793 Cb 0.18 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 2clq h TYR 793 CO -0.10 0.04 0.09 -0.07 -1.32 0.00 0.00 178.16 176.80 2clq h LEU 794 N 0.11 0.25 -0.68 2.82 3.38 -1.07 -2.64 115.31 117.48 2clq h LEU 794 Ca 0.06 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2clq h LEU 794 Cb 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2clq h LEU 794 CO -0.06 0.32 -0.12 0.45 0.09 0.00 0.00 178.44 179.11 2clq h HIS 795 N 0.17 0.99 0.00 1.13 3.86 -0.08 0.60 115.15 121.82 2clq h HIS 795 Ca 0.07 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2clq h HIS 795 Cb 0.13 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.36 2clq h HIS 795 CO -0.02 0.95 0.00 -0.44 0.86 0.00 0.00 177.93 179.28 2clq h ASP 796 N 0.80 0.00 -0.58 2.45 3.45 -0.31 -0.40 116.42 121.82 2clq h ASP 796 Ca 0.13 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 2clq h ASP 796 Cb 0.65 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.39 2clq h ASP 796 CO 0.05 0.00 0.06 0.59 -1.57 0.00 0.00 179.24 178.37 2clq n ASN 797 N -2.87 5.35 -3.99 6.45 3.02 -0.77 -4.96 115.26 117.50 2clq n ASN 797 Ca 0.00 -3.02 -0.31 0.00 -0.03 0.00 0.00 54.58 51.22 2clq n ASN 797 Cb 0.24 -0.69 0.01 0.00 -0.61 0.00 0.00 39.78 38.73 2clq n ASN 797 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2clq n GLN 798 N 0.32 -4.78 -5.14 3.52 3.00 -0.16 -4.89 117.38 109.25 2clq n GLN 798 Ca 0.30 0.53 -0.32 0.00 -0.01 0.00 0.00 57.00 57.50 2clq n GLN 798 Cb 1.22 -5.33 -0.16 0.00 0.00 0.00 0.00 30.24 25.96 2clq n GLN 798 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2clq s ILE 799 N -3.35 2.25 0.00 5.09 1.01 0.13 -0.01 121.20 126.32 2clq s ILE 799 Ca 0.62 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 2clq s ILE 799 Cb -0.32 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 2clq s ILE 799 CO 0.86 0.55 0.10 0.68 0.00 0.00 0.00 174.94 177.13 2clq s VAL 800 N 0.31 4.83 -0.16 2.92 -7.23 -0.86 -3.31 120.40 116.90 2clq s VAL 800 Ca -0.17 -0.40 -0.26 0.00 -1.81 0.00 0.00 61.98 59.35 2clq s VAL 800 Cb -0.17 -3.23 -0.24 0.00 0.56 0.00 0.00 36.38 33.29 2clq s VAL 800 CO 0.08 0.33 0.59 -0.74 -0.31 0.00 0.00 175.10 175.04 2clq h HIS 801 N 3.97 0.05 0.00 2.82 2.76 -1.90 -1.47 115.15 121.39 2clq h HIS 801 Ca -0.49 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 2clq h HIS 801 Cb 1.18 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 2clq h HIS 801 CO 0.64 1.20 0.00 0.54 -1.30 0.00 0.00 177.93 179.02 2clq n ARG 802 N -4.49 0.00 -2.69 5.26 1.74 -1.26 -2.25 116.66 112.98 2clq n ARG 802 Ca -0.18 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.82 2clq n ARG 802 Cb 0.59 -2.39 0.08 0.00 -1.02 0.00 0.00 32.46 29.72 2clq n ARG 802 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2clq n ASP 803 N 0.00 -0.51 -4.67 0.55 -0.08 -1.26 -4.09 116.55 106.49 2clq n ASP 803 Ca 0.00 -2.58 -0.42 0.00 -1.51 0.00 0.00 54.79 50.28 2clq n ASP 803 Cb 0.00 0.38 -0.03 0.00 2.34 0.00 0.00 41.12 43.81 2clq n ASP 803 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2clq s ILE 804 N -1.19 3.59 0.11 5.18 -1.09 -1.26 -4.77 121.20 121.77 2clq s ILE 804 Ca 0.24 0.85 -0.26 0.00 -2.23 0.00 0.00 60.65 59.25 2clq s ILE 804 Cb 0.42 -3.54 0.08 0.00 -1.58 0.00 0.00 42.46 37.84 2clq s ILE 804 CO -0.04 -0.04 1.03 -1.59 -1.23 0.00 0.00 174.94 173.07 2clq s LYS 805 N 3.34 1.02 0.34 2.79 -2.85 -1.26 -4.65 119.74 118.47 2clq s LYS 805 Ca 0.69 -0.56 0.03 0.00 -1.00 0.00 0.00 55.97 55.13 2clq s LYS 805 Cb -0.33 0.35 0.61 0.00 -2.06 0.00 0.00 37.83 36.41 2clq s LYS 805 CO 0.28 -0.47 1.93 0.78 0.10 0.00 0.00 175.35 177.97 2clq h GLY 806 N 2.00 0.70 0.46 0.59 0.00 -1.92 -0.96 103.07 103.95 2clq h GLY 806 Ca -0.25 -0.35 0.22 0.00 0.00 0.00 0.00 47.33 46.94 2clq h GLY 806 CO 0.26 0.33 0.55 -0.55 0.00 0.00 0.00 176.54 177.13 2clq h ASP 807 N 0.65 0.07 -0.61 0.19 3.32 -1.94 -2.63 116.42 115.47 2clq h ASP 807 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2clq h ASP 807 Cb 0.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2clq h ASP 807 CO -0.01 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 2clq n ASN 808 N -4.34 3.88 -4.16 6.45 3.02 -0.37 -4.84 115.26 114.90 2clq n ASN 808 Ca 0.16 -2.13 -0.33 0.00 -0.03 0.00 0.00 54.58 52.25 2clq n ASN 808 Cb 0.80 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 39.37 2clq n ASN 808 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2clq s VAL 809 N -1.23 2.46 -0.18 2.41 1.01 -1.06 -0.43 120.40 123.37 2clq s VAL 809 Ca 0.43 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 2clq s VAL 809 Cb 0.24 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2clq s VAL 809 CO 0.27 0.35 0.02 -0.76 0.00 0.00 0.00 175.10 174.98 2clq s LEU 810 N 1.29 3.51 -0.19 3.92 1.43 0.42 -1.02 118.68 128.04 2clq s LEU 810 Ca 0.02 -0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2clq s LEU 810 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2clq s LEU 810 CO -0.08 0.13 -0.02 -0.63 0.23 0.00 0.00 176.35 175.99 2clq s ILE 811 N 0.59 3.87 -0.51 -0.59 1.01 0.02 0.86 121.20 126.47 2clq s ILE 811 Ca 0.01 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 2clq s ILE 811 Cb -0.14 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.62 2clq s ILE 811 CO 0.02 0.45 1.32 0.21 0.00 0.00 0.00 174.94 176.94 2clq s ASN 812 N 0.86 6.33 0.00 3.58 3.84 0.30 -2.62 114.94 127.23 2clq s ASN 812 Ca 0.00 0.44 0.31 0.00 0.21 0.00 0.00 52.86 53.82 2clq s ASN 812 Cb -0.14 -2.55 1.71 0.00 -0.55 0.00 0.00 41.25 39.72 2clq s ASN 812 CO 0.02 -1.51 2.13 0.35 -2.79 0.00 0.00 177.10 175.29 2clq n THR 813 N 6.89 0.00 0.08 -5.21 -2.24 -0.27 -0.07 114.28 113.47 2clq n THR 813 Ca 0.13 -0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 2clq n THR 813 Cb 0.49 -0.38 -0.14 0.00 -2.10 0.00 0.00 70.33 68.19 2clq n THR 813 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2clq n TYR 814 N -0.96 0.00 0.00 4.78 4.02 -1.26 -4.57 117.16 119.17 2clq n TYR 814 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2clq n TYR 814 Cb 0.17 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.10 2clq n TYR 814 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2clq n SER 815 N -2.08 3.95 0.00 7.72 3.41 -1.22 -5.03 113.62 120.37 2clq n SER 815 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2clq n SER 815 Cb 0.47 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 2clq n SER 815 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2clq n GLY 816 N 2.03 0.71 3.66 5.00 0.00 0.90 -5.01 105.19 112.49 2clq n GLY 816 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2clq n GLY 816 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2clq s VAL 817 N -2.86 4.09 -0.03 1.61 1.01 -1.22 -4.80 120.40 118.19 2clq s VAL 817 Ca 0.00 1.34 -0.18 0.00 0.00 0.00 0.00 61.98 63.13 2clq s VAL 817 Cb 0.00 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2clq s VAL 817 CO 0.00 -0.11 0.52 -0.22 0.00 0.00 0.00 175.10 175.29 2clq s LEU 818 N 3.49 4.39 -0.18 3.92 0.20 -1.26 -0.54 118.68 128.70 2clq s LEU 818 Ca 0.59 1.02 0.01 0.00 0.69 0.00 0.00 54.13 56.44 2clq s LEU 818 Cb -0.25 -2.78 0.03 0.00 -0.43 0.00 0.00 46.19 42.76 2clq s LEU 818 CO 0.19 0.13 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.67 2clq s LYS 819 N -0.20 2.72 -0.00 1.98 1.02 0.25 -4.27 119.74 121.24 2clq s LYS 819 Ca 0.28 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 2clq s LYS 819 Cb -0.17 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 2clq s LYS 819 CO 0.14 -0.26 1.39 0.42 -0.92 0.00 0.00 175.35 176.13 2clq s ILE 820 N 1.32 3.73 -0.21 2.17 1.01 -0.34 -0.44 121.20 128.44 2clq s ILE 820 Ca 0.03 1.11 -0.13 0.00 0.00 0.00 0.00 60.65 61.67 2clq s ILE 820 Cb -0.14 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2clq s ILE 820 CO -0.12 -0.00 0.25 -0.55 0.00 0.00 0.00 174.94 174.53 2clq s SER 821 N 1.87 6.29 0.00 3.58 0.15 0.43 -0.81 113.70 125.21 2clq s SER 821 Ca 0.64 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.61 2clq s SER 821 Cb -0.31 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2clq s SER 821 CO 0.26 0.04 0.49 -0.90 1.20 0.00 0.00 173.24 174.34 2clq n ASP 822 N 4.11 0.00 -4.60 5.45 5.68 -1.26 -4.78 116.55 121.15 2clq n ASP 822 Ca -0.12 -1.02 -0.43 0.00 -0.50 0.00 0.00 54.79 52.72 2clq n ASP 822 Cb 0.52 -0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.47 2clq n ASP 822 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2clq s PHE 823 N 0.00 2.75 0.00 2.11 2.19 -1.26 -3.22 117.98 120.55 2clq s PHE 823 Ca 0.00 0.67 0.00 0.00 0.33 0.00 0.00 56.93 57.93 2clq s PHE 823 Cb 0.00 -4.45 0.00 0.00 -1.31 0.00 0.00 43.02 37.26 2clq s PHE 823 CO 0.00 -1.38 0.00 0.41 1.83 0.00 0.00 175.22 176.08 2clq n GLY 824 N 4.90 3.82 0.13 13.12 0.00 -1.26 -4.92 105.19 120.98 2clq n GLY 824 Ca 0.12 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 2clq n GLY 824 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2clq h THR 825 N 0.00 0.87 -4.10 2.61 1.35 -1.81 -3.48 112.91 108.35 2clq h THR 825 Ca 0.00 -2.33 -0.48 0.00 -0.55 0.00 0.00 66.41 63.05 2clq h THR 825 Cb 0.00 2.54 0.04 0.00 -1.73 0.00 0.00 68.15 69.00 2clq h THR 825 CO 0.00 0.69 0.39 -0.94 -0.25 0.00 0.00 175.52 175.41 2clq s SER 826 N -7.00 6.15 -0.16 5.36 1.04 -0.95 -4.66 113.70 113.48 2clq s SER 826 Ca -0.23 1.94 -0.12 0.00 0.48 0.00 0.00 55.95 58.02 2clq s SER 826 Cb 0.05 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.66 2clq s SER 826 CO 0.73 -0.91 0.41 -0.54 0.98 0.00 0.00 173.24 173.90 2clq s LYS 827 N -3.41 0.44 0.45 4.02 1.02 -0.55 -4.96 119.74 116.76 2clq s LYS 827 Ca 0.67 0.64 -0.25 0.00 0.02 0.00 0.00 55.97 57.05 2clq s LYS 827 Cb -0.17 0.14 -0.08 0.00 -0.52 0.00 0.00 37.83 37.20 2clq s LYS 827 CO 0.24 -0.09 1.45 0.50 -0.92 0.00 0.00 175.35 176.53 2clq s ARG 828 N 0.62 3.69 0.20 1.68 3.52 -1.26 -2.04 118.95 125.36 2clq s ARG 828 Ca -0.03 2.46 -0.10 0.00 -0.13 0.00 0.00 55.73 57.93 2clq s ARG 828 Cb -0.05 -2.67 0.14 0.00 -1.56 0.00 0.00 34.95 30.81 2clq s ARG 828 CO -0.04 -0.83 1.83 -0.07 -0.81 0.00 0.00 175.30 175.38 2clq h LEU 829 N 2.34 0.88 -5.53 -0.88 3.38 -0.78 -3.46 115.31 111.25 2clq h LEU 829 Ca -0.51 -0.08 -0.65 0.00 0.09 0.00 0.00 57.88 56.73 2clq h LEU 829 Cb 1.27 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2clq h LEU 829 CO 0.61 0.70 3.34 0.00 0.09 0.00 0.00 178.44 183.19 2clq n ALA 830 N -2.34 6.19 0.00 1.53 0.00 -1.26 -5.10 120.51 119.54 2clq n ALA 830 Ca 0.06 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 50.02 2clq n ALA 830 Cb 0.07 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.10 2clq n ALA 830 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2clq n PHE 839 N 4.89 0.00 -4.11 0.00 1.16 -1.26 -5.22 117.46 112.92 2clq n PHE 839 Ca 0.63 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 56.05 2clq n PHE 839 Cb 0.29 -0.07 -0.15 0.00 -1.61 0.00 0.00 39.48 37.94 2clq n PHE 839 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2clq s THR 840 N -2.00 0.37 0.00 1.97 2.01 -1.26 -4.49 115.64 112.25 2clq s THR 840 Ca 0.00 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2clq s THR 840 Cb 0.00 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 72.16 2clq s THR 840 CO 0.00 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2clq n GLY 841 N 3.30 -0.58 3.75 4.40 0.00 -1.26 -5.01 105.19 109.79 2clq n GLY 841 Ca -0.17 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 2clq n GLY 841 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2clq s THR 842 N -0.26 3.25 0.17 2.61 2.01 -1.26 -4.94 115.64 117.22 2clq s THR 842 Ca 0.00 1.17 -0.13 0.00 0.31 0.00 0.00 61.69 63.04 2clq s THR 842 Cb 0.00 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.83 2clq s THR 842 CO 0.00 0.25 1.77 -0.07 -0.69 0.00 0.00 174.62 175.88 2clq h LEU 843 N 4.21 0.71 -1.22 4.42 -0.00 -1.97 -2.74 115.31 118.72 2clq h LEU 843 Ca -0.47 -0.11 -0.04 0.00 -0.00 0.00 0.00 57.88 57.27 2clq h LEU 843 Cb 1.22 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 2clq h LEU 843 CO 0.69 0.61 -0.18 1.56 -0.00 0.00 0.00 178.44 181.13 2clq h GLN 844 N 0.75 0.00 -0.09 1.13 4.20 -1.89 -2.96 115.11 116.25 2clq h GLN 844 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2clq h GLN 844 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2clq h GLN 844 CO -0.03 0.18 0.00 0.66 -0.67 0.00 0.00 178.83 178.97 2clq n TYR 845 N -3.35 0.08 -2.20 2.96 4.02 -1.07 -4.79 117.16 112.81 2clq n TYR 845 Ca 0.00 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 2clq n TYR 845 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 2clq n TYR 845 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2clq s MET 846 N -1.92 4.27 0.72 -0.72 -1.94 -1.06 -4.02 119.30 114.63 2clq s MET 846 Ca 0.31 1.99 -0.14 0.00 -1.71 0.00 0.00 55.69 56.14 2clq s MET 846 Cb 0.20 -3.59 0.03 0.00 2.01 0.00 0.00 34.83 33.48 2clq s MET 846 CO 0.31 -0.60 1.13 0.00 -0.01 0.00 0.00 175.02 175.86 2clq s ALA 847 N 2.49 2.26 0.17 3.03 0.00 -1.26 -4.89 121.76 123.57 2clq s ALA 847 Ca 0.64 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 2clq s ALA 847 Cb -0.32 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.53 2clq s ALA 847 CO 0.27 -1.63 1.83 -1.00 0.00 0.00 0.00 175.76 175.22 2clq h PRO 848 N -0.39 0.64 -1.05 0.00 0.13 -1.94 -2.11 132.00 127.27 2clq h PRO 848 Ca -0.46 -0.04 0.27 0.00 -0.87 0.00 0.00 66.00 64.90 2clq h PRO 848 Cb 1.26 -0.14 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 2clq h PRO 848 CO 0.51 0.42 0.68 1.05 -0.23 0.00 0.00 178.00 180.43 2clq h GLU 849 N 0.66 0.36 -0.12 0.86 9.09 -1.93 -1.92 114.58 121.58 2clq h GLU 849 Ca 0.20 -0.02 -0.06 0.00 0.05 0.00 0.00 59.36 59.52 2clq h GLU 849 Cb -0.02 -0.08 -0.00 0.00 -1.65 0.00 0.00 28.75 26.99 2clq h GLU 849 CO -0.07 0.24 -0.18 0.82 0.05 0.00 0.00 179.01 179.87 2clq h ILE 850 N 0.38 1.37 -0.27 -1.06 1.08 -1.64 0.16 117.51 117.53 2clq h ILE 850 Ca 0.60 -1.41 0.06 0.00 -0.39 0.00 0.00 64.86 63.73 2clq h ILE 850 Cb 1.56 2.02 -0.07 0.00 -3.07 0.00 0.00 36.82 37.26 2clq h ILE 850 CO -0.30 0.41 -0.18 0.40 -0.69 0.00 0.00 178.15 177.79 2clq h ILE 851 N -0.08 0.50 0.15 -0.67 1.08 -1.30 0.81 117.51 117.99 2clq h ILE 851 Ca 0.01 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.20 2clq h ILE 851 Cb 0.74 0.50 0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2clq h ILE 851 CO 0.04 0.00 -1.30 -2.24 -0.69 0.00 0.00 178.15 173.96 2clq h ASP 852 N -0.16 0.49 0.41 1.72 3.04 -1.35 -3.37 116.42 117.20 2clq h ASP 852 Ca 0.15 -0.53 -0.13 0.00 -3.24 0.00 0.00 57.03 53.28 2clq h ASP 852 Cb 0.38 -0.16 -0.02 0.00 -1.04 0.00 0.00 39.33 38.49 2clq h ASP 852 CO -0.36 1.42 -1.70 0.29 -2.04 0.00 0.00 179.24 176.84 2clq n LYS 853 N -3.56 0.64 0.00 4.15 4.01 0.54 -5.10 118.16 118.84 2clq n LYS 853 Ca -0.10 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 2clq n LYS 853 Cb 1.04 -1.67 0.00 0.00 -0.51 0.00 0.00 35.03 33.89 2clq n LYS 853 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2clq n GLY 854 N 1.39 -1.76 0.33 0.72 0.00 0.28 -4.25 105.19 101.89 2clq n GLY 854 Ca -0.11 -1.60 0.17 0.00 0.00 0.00 0.00 46.02 44.48 2clq n GLY 854 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2clq h PRO 855 N 0.00 0.00 -0.46 1.61 0.11 -1.81 -0.01 132.00 131.45 2clq h PRO 855 Ca 0.00 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.24 2clq h PRO 855 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2clq h PRO 855 CO 0.00 0.00 0.38 0.00 -0.21 0.00 0.00 178.00 178.17 2clq h ARG 856 N 0.00 0.00 -0.11 1.05 3.08 -1.93 -2.89 114.38 113.59 2clq h ARG 856 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2clq h ARG 856 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2clq h ARG 856 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2clq n GLY 857 N -1.57 0.03 3.68 0.04 0.00 -0.02 -4.91 105.19 102.45 2clq n GLY 857 Ca 0.08 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2clq n GLY 857 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2clq s TYR 858 N -1.87 2.92 0.12 1.61 1.51 -1.09 -4.63 117.35 115.93 2clq s TYR 858 Ca 0.34 0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 57.36 2clq s TYR 858 Cb 0.18 -3.56 0.00 0.00 -0.11 0.00 0.00 41.96 38.47 2clq s TYR 858 CO 0.28 -1.98 0.16 0.41 -1.11 0.00 0.00 175.55 173.31 2clq n GLY 859 N 3.57 2.94 0.23 0.71 0.00 -1.26 -5.03 105.19 106.34 2clq n GLY 859 Ca 0.13 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.62 2clq n GLY 859 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2clq h LYS 860 N 0.00 0.47 -0.93 1.61 1.57 -1.94 -2.02 116.57 115.33 2clq h LYS 860 Ca -0.09 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.83 2clq h LYS 860 Cb 0.42 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.52 2clq h LYS 860 CO 0.13 0.31 0.52 0.00 -0.57 0.00 0.00 179.45 179.84 2clq h ALA 861 N 1.37 1.48 0.00 3.86 0.00 -1.93 -1.11 119.26 122.93 2clq h ALA 861 Ca 0.29 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2clq h ALA 861 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2clq h ALA 861 CO -0.25 -0.09 -0.15 0.00 0.00 0.00 0.00 179.25 178.77 2clq h ALA 862 N 1.61 1.59 -0.13 0.00 0.00 -1.71 -1.03 119.26 119.60 2clq h ALA 862 Ca 0.53 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 2clq h ALA 862 Cb 0.80 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2clq h ALA 862 CO -0.39 0.19 -0.54 -0.44 0.00 0.00 0.00 179.25 178.08 2clq h ASP 863 N 0.00 0.40 0.22 0.00 3.32 -1.22 -2.75 116.42 116.39 2clq h ASP 863 Ca -0.00 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 2clq h ASP 863 Cb 0.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2clq h ASP 863 CO 0.02 0.86 -0.66 0.40 -1.72 0.00 0.00 179.24 178.15 2clq h ILE 864 N 0.28 1.37 0.19 0.35 5.03 -1.01 0.81 117.51 124.53 2clq h ILE 864 Ca 0.01 -2.02 0.01 0.00 -0.12 0.00 0.00 64.86 62.73 2clq h ILE 864 Cb 1.04 2.00 -0.02 0.00 -3.03 0.00 0.00 36.82 36.81 2clq h ILE 864 CO 0.09 0.61 -0.21 -0.25 -0.68 0.00 0.00 178.15 177.71 2clq h TRP 865 N 0.29 -0.54 -0.96 1.37 2.91 -1.36 -1.43 115.95 116.24 2clq h TRP 865 Ca -0.02 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.04 2clq h TRP 865 Cb 1.21 0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 30.02 2clq h TRP 865 CO 0.04 -0.31 0.63 0.77 -1.03 0.00 0.00 178.44 178.54 2clq h SER 866 N -0.43 1.04 -0.21 2.65 0.02 -1.30 -0.08 113.55 115.25 2clq h SER 866 Ca 0.01 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2clq h SER 866 Cb 0.42 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 2clq h SER 866 CO -0.06 0.72 -0.23 0.25 -1.14 0.00 0.00 176.83 176.36 2clq h LEU 867 N 1.21 -0.73 -0.75 5.07 5.85 -0.72 -0.08 115.31 125.16 2clq h LEU 867 Ca 0.38 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.36 2clq h LEU 867 Cb -0.01 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 2clq h LEU 867 CO -0.12 -0.27 0.33 1.23 -0.34 0.00 0.00 178.44 179.27 2clq h GLY 868 N -0.25 1.15 1.18 3.75 0.00 0.07 -0.53 103.07 108.44 2clq h GLY 868 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 2clq h GLY 868 CO -0.35 -0.05 0.08 0.00 0.00 0.00 0.00 176.54 176.22 2clq h THR 870 N 0.94 1.20 -0.27 0.00 2.02 0.07 0.16 112.91 117.03 2clq h THR 870 Ca 0.19 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 2clq h THR 870 Cb 0.43 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2clq h THR 870 CO 0.01 0.25 -0.31 0.40 0.37 0.00 0.00 175.52 176.25 2clq h ILE 871 N 0.79 1.28 -0.46 3.11 2.04 -0.86 0.38 117.51 123.80 2clq h ILE 871 Ca 0.19 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 2clq h ILE 871 Cb 0.17 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2clq h ILE 871 CO -0.02 0.45 0.11 0.40 0.00 0.00 0.00 178.15 179.09 2clq h ILE 872 N 0.48 1.24 -0.37 -0.67 1.08 -0.99 -0.76 117.51 117.51 2clq h ILE 872 Ca 0.06 -0.83 0.08 0.00 -0.39 0.00 0.00 64.86 63.78 2clq h ILE 872 Cb 0.78 0.90 -0.08 0.00 -3.07 0.00 0.00 36.82 35.34 2clq h ILE 872 CO 0.06 0.30 -0.17 -0.08 -0.69 0.00 0.00 178.15 177.57 2clq h GLU 873 N 0.62 -0.10 0.30 2.37 4.81 -0.15 0.30 114.58 122.73 2clq h GLU 873 Ca 0.14 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2clq h GLU 873 Cb 0.33 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2clq h GLU 873 CO 0.00 -0.07 -0.26 0.52 -0.73 0.00 0.00 179.01 178.47 2clq h MET 874 N -0.10 -0.56 -0.62 1.92 2.86 -0.79 0.61 114.93 118.24 2clq h MET 874 Ca 0.19 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2clq h MET 874 Cb 0.39 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 2clq h MET 874 CO -0.44 -0.37 0.37 0.00 1.06 0.00 0.00 176.91 177.52 2clq h ALA 875 N 0.03 0.82 0.00 6.32 0.00 -0.90 -0.74 119.26 124.78 2clq h ALA 875 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2clq h ALA 875 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2clq h ALA 875 CO -0.03 0.09 -1.27 0.25 0.00 0.00 0.00 179.25 178.28 2clq n THR 876 N -4.75 0.48 -1.68 0.00 -2.24 0.08 -1.75 114.28 104.41 2clq n THR 876 Ca 0.06 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 2clq n THR 876 Cb 0.11 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 2clq n THR 876 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2clq n GLY 877 N 1.21 0.81 3.37 3.38 0.00 0.21 -4.49 105.19 109.68 2clq n GLY 877 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 2clq n GLY 877 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2clq s LYS 878 N -3.63 1.17 0.44 1.61 -0.14 -1.12 -4.72 119.74 113.37 2clq s LYS 878 Ca 0.00 -1.00 -0.25 0.00 -1.36 0.00 0.00 55.97 53.36 2clq s LYS 878 Cb 0.00 0.43 -0.08 0.00 -1.68 0.00 0.00 37.83 36.50 2clq s LYS 878 CO 0.00 -0.45 1.33 -2.14 -0.76 0.00 0.00 175.35 173.33 2clq s PRO 879 N -3.91 3.74 0.55 -1.68 0.02 -1.26 -3.92 135.00 128.54 2clq s PRO 879 Ca 0.12 2.19 -0.21 0.00 0.02 0.00 0.00 61.00 63.12 2clq s PRO 879 Cb 0.02 -2.61 -0.06 0.00 0.02 0.00 0.00 34.50 31.87 2clq s PRO 879 CO -0.04 -0.69 1.16 -2.30 -0.33 0.00 0.00 177.00 174.80 2clq n PRO 880 N -0.20 1.32 -3.53 5.54 -0.02 -1.26 -1.65 135.00 135.20 2clq n PRO 880 Ca 0.05 0.49 -0.25 0.00 -2.02 0.00 0.00 63.50 61.77 2clq n PRO 880 Cb 0.44 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2clq n PRO 880 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2clq n PHE 881 N -1.24 -1.76 -0.11 6.00 3.72 -1.26 -4.81 117.46 118.00 2clq n PHE 881 Ca 0.12 0.52 0.09 0.00 -0.05 0.00 0.00 57.45 58.12 2clq n PHE 881 Cb 0.45 -2.79 0.43 0.00 -0.94 0.00 0.00 39.48 36.62 2clq n PHE 881 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 2clq h TYR 882 N -1.01 0.58 -0.01 1.38 -0.00 -1.61 -3.07 116.97 113.23 2clq h TYR 882 Ca -0.44 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 2clq h TYR 882 Cb 1.30 -0.19 -0.00 0.00 -0.00 0.00 0.00 36.73 37.83 2clq h TYR 882 CO 0.68 0.30 0.01 0.93 -0.00 0.00 0.00 178.16 180.07 2clq h GLU 883 N 0.57 0.00 -0.17 0.10 3.07 -1.87 -1.94 114.58 114.33 2clq h GLU 883 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2clq h GLU 883 Cb 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2clq h GLU 883 CO -0.08 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.81 2clq n LEU 884 N -4.28 2.57 0.00 1.33 4.77 -1.16 -5.06 117.00 115.17 2clq n LEU 884 Ca -0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 2clq n LEU 884 Cb 0.10 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2clq n LEU 884 CO 0.32 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2clq n GLY 885 N 1.32 -1.32 3.59 -0.72 0.00 -0.73 -3.55 105.19 103.78 2clq n GLY 885 Ca 0.17 -2.09 -0.56 0.00 0.00 0.00 0.00 46.02 43.54 2clq n GLY 885 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2clq n GLU 886 N 0.00 0.71 -0.26 1.61 0.00 -1.26 -4.35 120.64 117.09 2clq n GLU 886 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 57.16 57.50 2clq n GLU 886 Cb 0.00 -1.85 0.18 0.00 0.00 0.00 0.00 31.44 29.76 2clq n GLU 886 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2clq n PRO 887 N 2.64 -0.06 -0.08 5.31 -0.02 -1.26 -1.43 135.00 140.09 2clq n PRO 887 Ca 0.21 1.13 -0.11 0.00 -2.02 0.00 0.00 63.50 62.71 2clq n PRO 887 Cb 0.13 -1.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 2clq n PRO 887 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2clq h GLN 888 N 0.00 0.41 -0.54 -0.52 7.50 -1.99 -2.03 115.11 117.95 2clq h GLN 888 Ca 0.42 -0.11 -0.11 0.00 0.50 0.00 0.00 58.65 59.34 2clq h GLN 888 Cb 0.78 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.25 2clq h GLN 888 CO -0.72 0.55 -0.10 0.00 -1.50 0.00 0.00 178.83 177.06 2clq h ALA 889 N 0.85 0.80 -0.41 3.87 0.00 -1.58 -1.79 119.26 121.00 2clq h ALA 889 Ca 0.07 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2clq h ALA 889 Cb 0.34 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2clq h ALA 889 CO 0.01 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.02 2clq h ALA 890 N 0.98 0.46 0.00 0.00 0.00 -1.28 -2.62 119.26 116.79 2clq h ALA 890 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2clq h ALA 890 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2clq h ALA 890 CO 0.05 -0.30 -0.33 0.52 0.00 0.00 0.00 179.25 179.19 2clq h MET 891 N 0.24 0.00 -0.50 0.00 2.86 -1.31 0.11 114.93 116.33 2clq h MET 891 Ca 0.20 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2clq h MET 891 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2clq h MET 891 CO -0.24 0.00 0.23 0.74 1.06 0.00 0.00 176.91 178.70 2clq h PHE 892 N 0.00 0.72 -0.10 -0.22 0.05 -1.20 -2.80 116.94 113.39 2clq h PHE 892 Ca 0.00 -0.04 -0.15 0.00 3.82 0.00 0.00 57.97 61.60 2clq h PHE 892 Cb 0.93 -0.22 0.01 0.00 2.00 0.00 0.00 35.95 38.66 2clq h PHE 892 CO 0.00 0.58 -0.54 0.87 -0.18 0.00 0.00 178.31 179.04 2clq h LYS 893 N 0.66 0.54 -0.82 1.51 1.57 -1.14 -3.17 116.57 115.72 2clq h LYS 893 Ca 0.17 -0.45 0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2clq h LYS 893 Cb 0.13 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 2clq h LYS 893 CO -0.02 1.08 0.46 0.28 -0.57 0.00 0.00 179.45 180.67 2clq h VAL 894 N 0.15 0.88 -0.35 0.50 2.07 -0.81 0.44 116.25 119.12 2clq h VAL 894 Ca -0.04 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 2clq h VAL 894 Cb 1.19 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2clq h VAL 894 CO 0.11 0.14 -0.25 1.23 0.02 0.00 0.00 177.57 178.82 2clq h GLY 895 N 0.75 0.77 0.40 2.17 0.00 -1.55 1.41 103.07 107.03 2clq h GLY 895 Ca 0.40 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 2clq h GLY 895 CO -0.27 0.61 -0.71 0.00 0.00 0.00 0.00 176.54 176.18 2clq h MET 896 N 0.62 0.18 0.00 4.80 -0.00 -1.45 -3.28 114.93 115.79 2clq h MET 896 Ca 0.08 -0.30 -0.05 0.00 -0.00 0.00 0.00 59.70 59.43 2clq h MET 896 Cb 0.75 0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.46 2clq h MET 896 CO 0.06 1.14 -0.25 0.74 -0.00 0.00 0.00 176.91 178.60 2clq h PHE 897 N -0.60 0.00 -4.64 -0.10 0.05 -0.18 -3.47 116.94 108.00 2clq h PHE 897 Ca -0.14 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.47 2clq h PHE 897 Cb 1.44 0.00 0.13 0.00 2.00 0.00 0.00 35.95 39.53 2clq h PHE 897 CO 0.20 0.25 -0.57 0.36 -0.18 0.00 0.00 178.31 178.37 2clq n LYS 898 N -3.90 -1.70 -4.45 1.51 0.00 0.48 -5.03 118.16 105.07 2clq n LYS 898 Ca -0.02 0.58 -0.22 0.00 -0.00 0.00 0.00 58.31 58.65 2clq n LYS 898 Cb 0.33 -4.44 -0.10 0.00 -0.00 0.00 0.00 35.03 30.82 2clq n LYS 898 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2clq s VAL 899 N -3.26 1.95 0.37 0.58 -7.23 -0.92 -5.03 120.40 106.86 2clq s VAL 899 Ca 0.29 -2.21 0.08 0.00 -1.81 0.00 0.00 61.98 58.33 2clq s VAL 899 Cb -0.04 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2clq s VAL 899 CO 0.50 -0.34 0.21 -1.38 -0.31 0.00 0.00 175.10 173.78 2clq s HIS 900 N -2.82 2.69 0.37 2.82 -3.43 -1.26 -4.91 115.29 108.76 2clq s HIS 900 Ca 0.29 -0.45 -0.28 0.00 -0.80 0.00 0.00 55.06 53.82 2clq s HIS 900 Cb 0.01 -1.84 -0.11 0.00 -1.43 0.00 0.00 32.58 29.21 2clq s HIS 900 CO 0.13 0.20 1.51 -2.30 -2.00 0.00 0.00 174.74 172.28 2clq n PRO 901 N -1.26 2.71 -2.33 -0.38 -0.02 -1.26 -4.92 135.00 127.54 2clq n PRO 901 Ca -0.01 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 2clq n PRO 901 Cb 0.62 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 2clq n PRO 901 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2clq s GLU 902 N -1.99 4.30 -0.26 -0.52 2.12 -1.26 -4.99 118.70 116.09 2clq s GLU 902 Ca 0.54 1.83 -0.27 0.00 0.36 0.00 0.00 54.97 57.42 2clq s GLU 902 Cb -0.47 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.31 2clq s GLU 902 CO 0.63 -0.56 0.97 0.42 -0.54 0.00 0.00 175.26 176.18 2clq s ILE 903 N 2.57 4.69 0.03 -3.70 1.01 -1.26 -4.99 121.20 119.55 2clq s ILE 903 Ca 0.60 1.75 -0.36 0.00 0.00 0.00 0.00 60.65 62.64 2clq s ILE 903 Cb -0.28 -4.27 -0.15 0.00 0.01 0.00 0.00 42.46 37.77 2clq s ILE 903 CO 0.23 -0.24 1.53 -2.65 0.00 0.00 0.00 174.94 173.82 2clq n PRO 904 N 6.37 1.56 0.28 2.79 -0.02 -1.26 -4.84 135.00 139.87 2clq n PRO 904 Ca 0.10 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 2clq n PRO 904 Cb 0.47 -2.28 0.79 0.00 -0.02 0.00 0.00 33.50 32.47 2clq n PRO 904 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2clq h GLU 905 N 5.88 0.00 0.00 -0.52 4.11 -2.02 -2.71 114.58 119.32 2clq h GLU 905 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2clq h GLU 905 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2clq h GLU 905 CO 0.86 0.08 0.00 0.66 0.07 0.00 0.00 179.01 180.68 2clq h SER 906 N 0.00 0.00 -4.28 3.06 4.64 -1.99 -3.47 113.55 111.52 2clq h SER 906 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 2clq h SER 906 Cb 0.31 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.53 2clq h SER 906 CO 0.01 0.00 0.33 -0.04 -0.87 0.00 0.00 176.83 176.26 2clq s MET 907 N -3.23 2.25 0.73 4.77 -1.94 -1.02 -4.97 119.30 115.88 2clq s MET 907 Ca 0.07 1.29 -0.14 0.00 -1.71 0.00 0.00 55.69 55.20 2clq s MET 907 Cb 0.10 -1.89 0.04 0.00 2.01 0.00 0.00 34.83 35.09 2clq s MET 907 CO 0.51 -1.66 1.16 -1.54 -0.01 0.00 0.00 175.02 173.48 2clq s SER 908 N -3.07 4.38 0.28 3.03 1.04 -1.26 -4.76 113.70 113.35 2clq s SER 908 Ca 0.64 2.18 0.02 0.00 0.48 0.00 0.00 55.95 59.26 2clq s SER 908 Cb -0.19 -2.57 0.60 0.00 0.10 0.00 0.00 66.02 63.96 2clq s SER 908 CO 0.52 -2.13 1.79 0.00 0.98 0.00 0.00 173.24 174.40 2clq h ALA 909 N -0.43 1.48 -0.35 5.32 0.00 -1.97 -0.95 119.26 122.36 2clq h ALA 909 Ca -0.46 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2clq h ALA 909 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2clq h ALA 909 CO 0.50 0.03 -0.31 1.05 0.00 0.00 0.00 179.25 180.53 2clq h GLU 910 N 0.80 0.76 0.08 0.00 9.09 -1.99 -0.78 114.58 122.54 2clq h GLU 910 Ca 0.51 -0.35 -0.00 0.00 0.05 0.00 0.00 59.36 59.57 2clq h GLU 910 Cb 0.67 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 2clq h GLU 910 CO -0.33 0.97 -0.04 0.00 0.05 0.00 0.00 179.01 179.66 2clq h ALA 911 N 1.00 -0.11 -0.64 1.06 0.00 -1.73 -2.14 119.26 116.71 2clq h ALA 911 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2clq h ALA 911 Cb 0.84 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2clq h ALA 911 CO 0.07 -0.48 0.28 0.87 0.00 0.00 0.00 179.25 179.99 2clq h LYS 912 N -0.26 0.93 -0.62 0.00 1.57 -1.08 -1.40 116.57 115.71 2clq h LYS 912 Ca -0.01 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2clq h LYS 912 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2clq h LYS 912 CO 0.02 0.77 0.32 0.00 -0.57 0.00 0.00 179.45 179.98 2clq h ALA 913 N 1.12 1.40 -0.18 3.86 0.00 -1.15 -0.85 119.26 123.47 2clq h ALA 913 Ca 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2clq h ALA 913 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2clq h ALA 913 CO -0.02 0.48 -0.07 0.35 0.00 0.00 0.00 179.25 179.99 2clq h PHE 914 N 0.86 0.42 -0.41 0.00 3.04 -0.99 -2.92 116.94 116.94 2clq h PHE 914 Ca 0.22 -0.10 -0.09 0.00 3.98 0.00 0.00 57.97 61.98 2clq h PHE 914 Cb 0.05 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 2clq h PHE 914 CO 0.01 0.66 -0.09 0.82 -2.02 0.00 0.00 178.31 177.68 2clq h ILE 915 N 0.06 1.25 -0.87 1.41 2.04 -1.03 -2.87 117.51 117.49 2clq h ILE 915 Ca 0.04 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 2clq h ILE 915 Cb 0.54 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2clq h ILE 915 CO 0.02 0.38 0.44 0.17 0.00 0.00 0.00 178.15 179.16 2clq h LEU 916 N 0.66 1.12 -1.37 1.44 8.10 -1.15 -2.48 115.31 121.64 2clq h LEU 916 Ca 0.12 -0.12 0.22 0.00 0.11 0.00 0.00 57.88 58.21 2clq h LEU 916 Cb 0.55 -0.29 -0.08 0.00 -0.44 0.00 0.00 40.66 40.40 2clq h LEU 916 CO 0.03 0.93 0.63 0.11 -4.11 0.00 0.00 178.44 176.03 2clq h LYS 917 N 1.23 0.46 0.00 0.17 1.57 -1.30 0.26 116.57 118.96 2clq h LYS 917 Ca 0.30 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 2clq h LYS 917 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2clq h LYS 917 CO -0.04 0.30 -0.38 0.00 -0.57 0.00 0.00 179.45 178.76 2clq n PHE 919 N -3.54 2.26 -2.21 0.00 0.99 0.06 -3.82 117.46 111.20 2clq n PHE 919 Ca -0.00 -1.07 -0.43 0.00 -0.00 0.00 0.00 57.45 55.95 2clq n PHE 919 Cb 0.52 -0.62 -0.02 0.00 -1.00 0.00 0.00 39.48 38.35 2clq n PHE 919 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2clq s GLU 920 N -2.94 4.06 0.30 -1.08 -6.30 -1.11 -4.91 118.70 106.72 2clq s GLU 920 Ca 0.54 1.77 0.14 0.00 -2.50 0.00 0.00 54.97 54.93 2clq s GLU 920 Cb 0.43 -3.92 0.39 0.00 0.00 0.00 0.00 34.13 31.02 2clq s GLU 920 CO 0.14 -0.96 1.60 -1.00 0.02 0.00 0.00 175.26 175.05 2clq h PRO 921 N 9.45 0.00 -6.52 4.30 0.13 -1.93 -3.41 132.00 134.01 2clq h PRO 921 Ca -0.32 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.24 2clq h PRO 921 Cb 1.14 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 2clq h PRO 921 CO 0.98 0.54 0.99 0.34 -0.23 0.00 0.00 178.00 180.62 2clq s ASP 922 N -6.59 6.55 0.37 1.44 3.68 -1.26 -4.72 116.67 116.14 2clq s ASP 922 Ca 0.00 0.84 0.09 0.00 2.13 0.00 0.00 52.55 55.61 2clq s ASP 922 Cb 0.11 -2.54 0.82 0.00 -1.45 0.00 0.00 42.92 39.85 2clq s ASP 922 CO 0.73 -1.25 1.92 -0.65 0.13 0.00 0.00 175.17 176.06 2clq h PRO 923 N 9.72 0.66 0.00 4.34 0.11 -1.97 0.07 132.00 144.92 2clq h PRO 923 Ca -0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2clq h PRO 923 Cb 1.09 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2clq h PRO 923 CO 1.08 0.43 0.00 -0.25 -0.21 0.00 0.00 178.00 179.05 2clq n ASP 924 N -4.51 0.00 -0.04 -2.05 10.43 -1.26 -3.12 116.55 116.00 2clq n ASP 924 Ca 0.13 0.18 0.03 0.00 2.57 0.00 0.00 54.79 57.71 2clq n ASP 924 Cb 0.36 -0.39 -0.16 0.00 1.84 0.00 0.00 41.12 42.77 2clq n ASP 924 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2clq n LYS 925 N -1.39 0.71 -1.73 -1.24 5.02 -0.05 -5.01 118.16 114.46 2clq n LYS 925 Ca 0.10 -0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2clq n LYS 925 Cb 0.28 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 2clq n LYS 925 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2clq n ARG 926 N -2.39 2.60 -1.55 1.97 0.63 -0.82 -4.92 116.66 112.17 2clq n ARG 926 Ca -0.13 0.92 -0.47 0.00 -0.92 0.00 0.00 57.85 57.25 2clq n ARG 926 Cb 0.75 -2.69 -0.03 0.00 0.45 0.00 0.00 32.46 30.94 2clq n ARG 926 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2clq n ALA 927 N 2.24 -0.93 -2.00 5.13 0.00 -1.24 -5.01 120.51 118.69 2clq n ALA 927 Ca 0.10 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.74 2clq n ALA 927 Cb 0.36 -1.95 0.09 0.00 0.00 0.00 0.00 19.45 17.95 2clq n ALA 927 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2clq h ALA 929 N -0.31 1.02 -0.93 0.00 0.00 -1.95 -2.34 119.26 114.74 2clq h ALA 929 Ca -0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2clq h ALA 929 Cb 1.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2clq h ALA 929 CO 0.40 0.63 0.54 -0.91 0.00 0.00 0.00 179.25 179.92 2clq h ASN 930 N 0.95 1.14 -0.13 0.00 4.21 -1.95 -0.41 115.58 119.38 2clq h ASN 930 Ca 0.19 -0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 2clq h ASN 930 Cb 0.40 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2clq h ASN 930 CO 0.01 0.89 0.06 0.44 -1.29 0.00 0.00 177.43 177.54 2clq h ASP 931 N 1.30 0.18 -0.26 5.81 3.32 -1.82 -3.08 116.42 121.86 2clq h ASP 931 Ca 0.33 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 2clq h ASP 931 Cb -0.02 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2clq h ASP 931 CO -0.06 0.26 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.40 2clq h LEU 932 N 0.08 0.76 -1.80 1.55 3.38 -1.21 -3.03 115.31 115.04 2clq h LEU 932 Ca 0.05 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.79 2clq h LEU 932 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2clq h LEU 932 CO -0.01 0.98 0.26 -0.07 0.09 0.00 0.00 178.44 179.69 2clq h LEU 933 N 0.64 0.21 -1.06 1.67 3.38 -0.99 -0.79 115.31 118.37 2clq h LEU 933 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2clq h LEU 933 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2clq h LEU 933 CO 0.06 0.14 -0.04 1.33 0.09 0.00 0.00 178.44 180.02 2clq n VAL 934 N -4.47 0.00 -2.10 1.22 0.24 -1.15 -4.88 118.33 107.19 2clq n VAL 934 Ca 0.05 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.34 61.70 2clq n VAL 934 Cb 0.27 0.66 0.01 0.00 -1.47 0.00 0.00 33.84 33.31 2clq n VAL 934 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2clq s ASP 935 N -2.06 5.79 0.29 -1.34 -1.08 -0.31 -4.91 116.67 113.05 2clq s ASP 935 Ca 0.35 2.44 0.03 0.00 -0.52 0.00 0.00 52.55 54.85 2clq s ASP 935 Cb 0.21 -2.61 0.66 0.00 -1.46 0.00 0.00 42.92 39.72 2clq s ASP 935 CO 0.35 -1.19 1.76 -0.33 0.52 0.00 0.00 175.17 176.29 2clq h GLU 936 N 1.73 0.64 -0.96 4.34 5.08 -1.93 -2.21 114.58 121.27 2clq h GLU 936 Ca -0.50 -0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.01 2clq h GLU 936 Cb 1.27 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.29 2clq h GLU 936 CO 0.59 0.43 0.61 0.35 -1.00 0.00 0.00 179.01 179.98 2clq h PHE 937 N 0.66 0.87 -0.41 4.33 3.04 -1.91 0.13 116.94 123.66 2clq h PHE 937 Ca 0.53 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.51 2clq h PHE 937 Cb 0.83 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.08 2clq h PHE 937 CO -0.05 0.23 0.00 1.28 -2.02 0.00 0.00 178.31 177.75 2clq n LEU 938 N -4.64 4.03 -4.49 0.59 4.77 -0.83 -4.92 117.00 111.50 2clq n LEU 938 Ca 0.21 -2.04 -0.29 0.00 -0.03 0.00 0.00 56.01 53.86 2clq n LEU 938 Cb 0.59 -0.59 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 2clq n LEU 938 CO 0.26 0.53 0.53 -0.75 -1.33 0.00 0.00 177.39 176.63 2clq s LYS 939 N -2.09 -1.36 0.00 3.23 2.47 0.45 -4.99 119.74 117.45 2clq s LYS 939 Ca 0.37 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 55.13 2clq s LYS 939 Cb 0.27 -1.54 0.00 0.00 -1.46 0.00 0.00 37.83 35.10 2clq s LYS 939 CO 0.12 -3.89 0.00 1.55 0.16 0.00 0.00 175.35 173.29