#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx6 n PRO 645 N 0.00 0.28 -3.08 -1.46 -0.02 -1.26 -3.88 135.00 125.58 3hx6 n PRO 645 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3hx6 n PRO 645 Cb 0.00 -1.44 0.01 0.00 -0.02 0.00 0.00 33.50 32.05 3hx6 n PRO 645 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hx6 n ALA 646 N -0.94 4.99 -2.74 3.55 0.00 -1.26 -4.92 120.51 119.19 3hx6 n ALA 646 Ca 0.06 -4.78 -0.35 0.00 0.00 0.00 0.00 53.44 48.37 3hx6 n ALA 646 Cb 0.03 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.03 3hx6 n ALA 646 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hx6 s THR 647 N -2.50 4.52 -0.35 0.00 -1.32 -1.25 -1.21 115.64 113.53 3hx6 s THR 647 Ca 0.31 -0.16 0.03 0.00 -1.21 0.00 0.00 61.69 60.66 3hx6 s THR 647 Cb 0.02 -2.93 0.10 0.00 -1.51 0.00 0.00 72.50 68.18 3hx6 s THR 647 CO 0.07 0.59 0.07 -0.69 -2.21 0.00 0.00 174.62 172.44 3hx6 s VAL 648 N -0.71 2.47 0.00 5.08 1.01 0.25 -4.96 120.40 123.54 3hx6 s VAL 648 Ca 0.11 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.85 3hx6 s VAL 648 Cb -0.12 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3hx6 s VAL 648 CO 0.02 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.16 3hx6 n GLY 649 N 4.33 0.68 3.93 4.51 0.00 -1.26 -2.09 105.19 115.29 3hx6 n GLY 649 Ca 0.02 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3hx6 n GLY 649 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx6 s LYS 650 N 0.15 1.86 0.50 1.61 1.02 -1.26 -4.66 119.74 118.96 3hx6 s LYS 650 Ca 0.00 -0.29 -0.24 0.00 0.02 0.00 0.00 55.97 55.47 3hx6 s LYS 650 Cb 0.00 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.15 3hx6 s LYS 650 CO 0.00 -1.51 1.40 0.00 -0.92 0.00 0.00 175.35 174.32 3hx6 n ALA 651 N -3.12 1.84 0.05 5.17 0.00 -1.26 -4.92 120.51 118.28 3hx6 n ALA 651 Ca 0.10 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 3hx6 n ALA 651 Cb 0.60 -2.38 0.05 0.00 0.00 0.00 0.00 19.45 17.73 3hx6 n ALA 651 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hx6 h GLN 652 N 1.89 0.38 -6.09 0.00 4.15 -1.97 -3.47 115.11 110.00 3hx6 h GLN 652 Ca -0.51 -0.29 -0.52 0.00 0.77 0.00 0.00 58.65 58.10 3hx6 h GLN 652 Cb 1.29 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.99 3hx6 h GLN 652 CO 0.59 0.92 -0.39 0.71 -1.93 0.00 0.00 178.83 178.73 3hx6 s TYR 653 N -3.69 2.53 -0.09 3.99 2.02 -1.26 -5.08 117.35 115.77 3hx6 s TYR 653 Ca -0.05 -0.56 -0.15 0.00 -0.37 0.00 0.00 57.07 55.94 3hx6 s TYR 653 Cb 0.11 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 3hx6 s TYR 653 CO 0.83 -0.12 0.37 -0.51 -1.57 0.00 0.00 175.55 174.55 3hx6 s LEU 654 N -4.11 4.35 0.29 -1.29 1.43 -1.26 -4.96 118.68 113.13 3hx6 s LEU 654 Ca 0.45 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.35 3hx6 s LEU 654 Cb -0.01 -2.51 0.75 0.00 0.03 0.00 0.00 46.19 44.44 3hx6 s LEU 654 CO 0.26 0.19 1.70 0.74 0.23 0.00 0.00 176.35 179.47 3hx6 h THR 655 N 4.26 0.49 0.00 5.49 2.02 -1.98 0.11 112.91 123.31 3hx6 h THR 655 Ca -0.46 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3hx6 h THR 655 Cb 1.19 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3hx6 h THR 655 CO 0.69 0.08 0.00 0.10 0.37 0.00 0.00 175.52 176.76 3hx6 h TYR 656 N 0.43 0.00 0.02 3.16 -0.00 -2.00 -0.63 116.97 117.95 3hx6 h TYR 656 Ca 0.57 0.00 -0.38 0.00 -0.00 0.00 0.00 58.73 58.92 3hx6 h TYR 656 Cb 1.07 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.74 3hx6 h TYR 656 CO -0.12 0.00 -2.39 1.28 -0.00 0.00 0.00 178.16 176.94 3hx6 n LEU 657 N -2.54 2.67 0.11 0.10 4.77 0.33 -4.54 117.00 117.90 3hx6 n LEU 657 Ca -0.01 -0.07 -0.23 0.00 -0.03 0.00 0.00 56.01 55.67 3hx6 n LEU 657 Cb 0.10 -0.82 -0.15 0.00 -2.33 0.00 0.00 43.42 40.22 3hx6 n LEU 657 CO 0.16 0.88 -0.22 0.00 -1.33 0.00 0.00 177.39 176.88 3hx6 h ALA 658 N 0.10 -0.09 -0.58 -1.18 0.00 -1.13 -3.38 119.26 113.01 3hx6 h ALA 658 Ca -0.55 -0.87 0.09 0.00 0.00 0.00 0.00 54.91 53.58 3hx6 h ALA 658 Cb 1.95 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.89 3hx6 h ALA 658 CO -0.05 0.67 0.20 0.37 0.00 0.00 0.00 179.25 180.44 3hx6 h GLN 659 N -0.01 0.37 0.00 0.00 5.75 -1.37 -1.26 115.11 118.58 3hx6 h GLN 659 Ca -0.25 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 3hx6 h GLN 659 Cb 2.02 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.48 3hx6 h GLN 659 CO 0.22 0.24 -0.06 -1.35 -2.65 0.00 0.00 178.83 175.23 3hx6 h PRO 660 N 0.38 0.00 -0.39 -2.39 0.11 -1.78 -1.99 132.00 125.94 3hx6 h PRO 660 Ca 0.29 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.29 3hx6 h PRO 660 Cb 0.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 3hx6 h PRO 660 CO -0.30 0.06 -0.19 0.82 -0.21 0.00 0.00 178.00 178.18 3hx6 h ILE 661 N 0.00 1.27 -2.89 4.15 2.04 -1.39 -3.38 117.51 117.31 3hx6 h ILE 661 Ca -0.00 -1.28 -0.61 0.00 1.00 0.00 0.00 64.86 63.97 3hx6 h ILE 661 Cb 0.17 1.18 -0.40 0.00 -0.74 0.00 0.00 36.82 37.03 3hx6 h ILE 661 CO 0.01 0.43 -0.75 -1.61 0.00 0.00 0.00 178.15 176.23 3hx6 s GLU 662 N -4.65 1.45 0.56 2.37 0.41 -0.75 -4.96 118.70 113.12 3hx6 s GLU 662 Ca -0.09 -2.29 0.24 0.00 -0.41 0.00 0.00 54.97 52.42 3hx6 s GLU 662 Cb 0.13 -2.38 1.52 0.00 -1.78 0.00 0.00 34.13 31.63 3hx6 s GLU 662 CO 0.83 -1.23 2.15 -1.35 -0.49 0.00 0.00 175.26 175.17 3hx6 h PRO 663 N 6.26 0.00 0.00 0.39 0.11 -1.74 -0.76 132.00 136.26 3hx6 h PRO 663 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3hx6 h PRO 663 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3hx6 h PRO 663 CO 0.51 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 3hx6 n SER 664 N -4.18 0.00 -4.59 -2.05 3.41 -1.26 -4.84 113.62 100.12 3hx6 n SER 664 Ca -0.01 -0.27 -0.28 0.00 -0.26 0.00 0.00 58.87 58.05 3hx6 n SER 664 Cb 0.19 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 3hx6 n SER 664 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hx6 n GLY 665 N 1.03 3.27 2.62 5.00 0.00 -0.29 -4.98 105.19 111.83 3hx6 n GLY 665 Ca 0.15 -2.34 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 3hx6 n GLY 665 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hx6 s ASN 666 N -3.80 3.55 0.24 1.61 3.84 -1.26 -4.99 114.94 114.13 3hx6 s ASN 666 Ca 0.12 -1.99 -0.02 0.00 0.21 0.00 0.00 52.86 51.18 3hx6 s ASN 666 Cb -0.01 -0.69 0.27 0.00 -0.55 0.00 0.00 41.25 40.27 3hx6 s ASN 666 CO 0.07 -0.35 1.66 0.22 -2.79 0.00 0.00 177.10 175.92 3hx6 h TYR 667 N 7.49 0.74 -0.90 0.43 3.20 -1.92 -2.87 116.97 123.14 3hx6 h TYR 667 Ca -0.06 -0.16 0.07 0.00 3.14 0.00 0.00 58.73 61.72 3hx6 h TYR 667 Cb 0.98 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 3hx6 h TYR 667 CO 0.40 0.83 0.56 0.66 -1.64 0.00 0.00 178.16 178.97 3hx6 h SER 668 N 0.57 0.86 0.52 -2.11 4.64 -1.94 0.62 113.55 116.70 3hx6 h SER 668 Ca 0.08 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3hx6 h SER 668 Cb 0.71 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3hx6 h SER 668 CO 0.05 0.53 -0.58 0.71 -0.87 0.00 0.00 176.83 176.68 3hx6 h THR 669 N 0.99 1.40 -0.14 2.95 1.35 -1.97 -0.18 112.91 117.31 3hx6 h THR 669 Ca 0.40 -1.96 -0.08 0.00 -0.55 0.00 0.00 66.41 64.22 3hx6 h THR 669 Cb 0.23 2.04 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3hx6 h THR 669 CO -0.19 0.56 -0.24 0.15 -0.25 0.00 0.00 175.52 175.55 3hx6 h PHE 670 N 0.05 0.51 -0.33 4.73 3.57 -0.93 -2.12 116.94 122.42 3hx6 h PHE 670 Ca -0.00 -0.18 0.01 0.00 3.53 0.00 0.00 57.97 61.32 3hx6 h PHE 670 Cb 1.03 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3hx6 h PHE 670 CO 0.01 0.86 0.21 0.00 -2.23 0.00 0.00 178.31 177.16 3hx6 h ALA 671 N 0.56 0.42 -0.61 2.41 0.00 0.33 -1.93 119.26 120.43 3hx6 h ALA 671 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hx6 h ALA 671 Cb 0.82 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 3hx6 h ALA 671 CO 0.05 -0.13 0.31 0.93 0.00 0.00 0.00 179.25 180.42 3hx6 h GLU 672 N 0.44 0.56 -0.90 0.00 4.39 -1.02 -1.84 114.58 116.21 3hx6 h GLU 672 Ca 0.12 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.80 3hx6 h GLU 672 Cb -0.04 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.44 3hx6 h GLU 672 CO -0.03 0.37 0.60 0.00 -1.16 0.00 0.00 179.01 178.78 3hx6 h ALA 673 N 1.34 1.14 0.00 3.43 0.00 -0.94 -2.29 119.26 121.94 3hx6 h ALA 673 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hx6 h ALA 673 Cb 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hx6 h ALA 673 CO -0.20 0.54 0.00 1.04 0.00 0.00 0.00 179.25 180.62 3hx6 n GLN 674 N -4.46 0.14 0.20 0.00 1.13 -0.75 -3.00 117.38 110.64 3hx6 n GLN 674 Ca 0.10 0.08 0.05 0.00 -1.94 0.00 0.00 57.00 55.28 3hx6 n GLN 674 Cb 0.02 -1.50 0.48 0.00 0.11 0.00 0.00 30.24 29.35 3hx6 n GLN 674 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3hx6 h LYS 675 N 0.00 0.05 -0.55 -1.09 1.57 -0.79 -2.32 116.57 113.44 3hx6 h LYS 675 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hx6 h LYS 675 Cb 0.34 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hx6 h LYS 675 CO 0.00 0.22 0.00 -2.37 -0.57 0.00 0.00 179.45 176.73 3hx6 n THR 676 N -4.32 1.11 -2.34 -0.16 5.66 -1.16 -4.96 114.28 108.10 3hx6 n THR 676 Ca -0.02 -1.04 -0.41 0.00 -3.05 0.00 0.00 64.05 59.53 3hx6 n THR 676 Cb 0.24 0.45 -0.03 0.00 -1.55 0.00 0.00 70.33 69.43 3hx6 n THR 676 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3hx6 s ARG 677 N -1.12 4.48 -0.19 1.09 3.52 -0.87 -4.95 118.95 120.90 3hx6 s ARG 677 Ca 0.38 1.92 -0.29 0.00 -0.13 0.00 0.00 55.73 57.61 3hx6 s ARG 677 Cb 0.21 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 3hx6 s ARG 677 CO 0.24 -0.09 1.74 0.00 -0.81 0.00 0.00 175.30 176.38 3hx6 s ALA 678 N -0.21 3.24 0.42 6.12 0.00 -1.26 -4.87 121.76 125.20 3hx6 s ALA 678 Ca 0.52 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.85 3hx6 s ALA 678 Cb -0.34 -3.88 -0.10 0.00 0.00 0.00 0.00 23.12 18.80 3hx6 s ALA 678 CO 0.38 -2.02 1.10 -2.30 0.00 0.00 0.00 175.76 172.92 3hx6 n PRO 679 N 7.80 1.54 -3.81 0.00 -0.02 -1.26 -4.85 135.00 134.40 3hx6 n PRO 679 Ca 0.20 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3hx6 n PRO 679 Cb 0.45 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 3hx6 n PRO 679 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hx6 s ARG 680 N -2.07 0.35 -0.16 -0.52 1.81 -0.89 -4.79 118.95 112.67 3hx6 s ARG 680 Ca 0.62 0.13 0.00 0.00 -1.72 0.00 0.00 55.73 54.77 3hx6 s ARG 680 Cb -0.54 0.16 0.03 0.00 -0.45 0.00 0.00 34.95 34.14 3hx6 s ARG 680 CO 0.57 -0.06 -0.13 0.08 -0.68 0.00 0.00 175.30 175.08 3hx6 s VAL 681 N -0.30 1.59 -0.20 3.52 1.01 -1.25 0.86 120.40 125.62 3hx6 s VAL 681 Ca -0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3hx6 s VAL 681 Cb -0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3hx6 s VAL 681 CO 0.01 0.36 0.22 -0.31 0.00 0.00 0.00 175.10 175.38 3hx6 s TYR 682 N 1.46 3.40 0.03 5.22 1.51 -0.35 -1.91 117.35 126.72 3hx6 s TYR 682 Ca 0.03 0.43 0.07 0.00 -1.01 0.00 0.00 57.07 56.59 3hx6 s TYR 682 Cb -0.14 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.39 3hx6 s TYR 682 CO -0.10 0.19 -0.20 0.08 -1.11 0.00 0.00 175.55 174.41 3hx6 s VAL 683 N 0.67 2.63 0.35 0.71 1.01 -1.19 -3.22 120.40 121.37 3hx6 s VAL 683 Ca 0.12 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 3hx6 s VAL 683 Cb -0.13 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 3hx6 s VAL 683 CO 0.03 0.38 0.76 -0.83 0.00 0.00 0.00 175.10 175.43 3hx6 s GLY 684 N -1.29 2.22 0.00 4.51 0.00 -1.25 -2.52 107.32 109.00 3hx6 s GLY 684 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.84 3hx6 s GLY 684 CO 0.04 0.19 0.00 0.00 0.00 0.00 0.00 173.10 173.33 3hx6 n ALA 685 N -0.65 0.00 -0.09 3.20 0.00 -0.61 -4.80 120.51 117.56 3hx6 n ALA 685 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3hx6 n ALA 685 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3hx6 n ALA 685 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hx6 n ASN 686 N -1.08 -0.23 -0.16 0.00 2.04 -1.26 -4.48 115.26 110.10 3hx6 n ASN 686 Ca 0.00 1.15 0.00 0.00 -0.44 0.00 0.00 54.58 55.29 3hx6 n ASN 686 Cb 0.00 -0.43 0.00 0.00 -2.53 0.00 0.00 39.78 36.82 3hx6 n ASN 686 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 3hx6 n ASP 687 N -3.47 0.00 -0.50 0.53 8.00 -1.26 -4.58 116.55 115.27 3hx6 n ASP 687 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 3hx6 n ASP 687 Cb 0.06 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3hx6 n ASP 687 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hx6 n GLY 688 N 5.00 0.42 3.74 0.44 0.00 -1.23 -4.63 105.19 108.93 3hx6 n GLY 688 Ca 0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3hx6 n GLY 688 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hx6 s MET 689 N -1.67 4.19 -0.10 1.61 -1.94 -1.26 -4.65 119.30 115.48 3hx6 s MET 689 Ca 0.14 2.44 0.03 0.00 -1.71 0.00 0.00 55.69 56.59 3hx6 s MET 689 Cb 0.08 -3.08 -0.01 0.00 2.01 0.00 0.00 34.83 33.84 3hx6 s MET 689 CO 0.08 -0.55 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.82 3hx6 s LEU 690 N -0.11 2.30 -0.36 -0.03 1.43 -0.95 -1.58 118.68 119.38 3hx6 s LEU 690 Ca 0.63 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 3hx6 s LEU 690 Cb -0.45 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 44.40 3hx6 s LEU 690 CO 0.43 0.18 0.09 -1.00 0.23 0.00 0.00 176.35 176.28 3hx6 s HIS 691 N 0.21 3.36 -0.26 0.29 3.76 -1.05 0.25 115.29 121.86 3hx6 s HIS 691 Ca -0.13 -2.83 -0.28 0.00 -0.15 0.00 0.00 55.06 51.67 3hx6 s HIS 691 Cb -0.16 -2.72 0.01 0.00 1.11 0.00 0.00 32.58 30.82 3hx6 s HIS 691 CO 0.07 -0.91 1.00 0.20 -0.85 0.00 0.00 174.74 174.25 3hx6 s GLY 692 N 0.85 1.67 0.00 -2.22 0.00 0.17 -3.15 107.32 104.64 3hx6 s GLY 692 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3hx6 s GLY 692 CO -0.09 2.13 0.00 1.97 0.00 0.00 0.00 173.10 177.10 3hx6 n PHE 693 N 6.41 0.00 0.00 1.90 1.16 -0.80 0.39 117.46 126.52 3hx6 n PHE 693 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 3hx6 n PHE 693 Cb 0.47 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 3hx6 n PHE 693 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 3hx6 n ASP 694 N 0.00 0.00 -2.67 5.98 -0.08 -1.26 -3.94 116.55 114.58 3hx6 n ASP 694 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 3hx6 n ASP 694 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 3hx6 n ASP 694 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3hx6 n THR 695 N -0.13-12.35 -2.29 5.18 -1.04 -1.26 -4.17 114.28 98.22 3hx6 n THR 695 Ca 0.00 2.16 -0.07 0.00 -2.04 0.00 0.00 64.05 64.10 3hx6 n THR 695 Cb 0.00 -6.83 0.00 0.00 -1.82 0.00 0.00 70.33 61.69 3hx6 n THR 695 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hx6 n ASP 696 N 1.02 -2.70 -1.65 8.00 9.92 -1.26 -4.38 116.55 125.50 3hx6 n ASP 696 Ca -0.13 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 3hx6 n ASP 696 Cb 0.21 -1.85 0.00 0.00 -0.64 0.00 0.00 41.12 38.84 3hx6 n ASP 696 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hx6 n GLY 697 N -0.99 0.00 3.59 0.44 0.00 -1.26 -4.85 105.19 102.12 3hx6 n GLY 697 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3hx6 n GLY 697 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hx6 s ASN 698 N -2.13 6.27 -0.31 1.61 -0.87 -1.26 -4.84 114.94 113.41 3hx6 s ASN 698 Ca 0.00 0.17 -0.34 0.00 -1.57 0.00 0.00 52.86 51.12 3hx6 s ASN 698 Cb 0.00 -2.22 -0.11 0.00 -0.02 0.00 0.00 41.25 38.90 3hx6 s ASN 698 CO 0.00 -0.27 2.15 1.21 -2.57 0.00 0.00 177.10 177.62 3hx6 n GLU 699 N 5.43 1.28 -0.12 -0.60 4.07 -1.26 -4.19 120.64 125.25 3hx6 n GLU 699 Ca -0.07 0.37 -0.24 0.00 -0.06 0.00 0.00 57.16 57.16 3hx6 n GLU 699 Cb 0.50 -2.56 -0.09 0.00 -0.06 0.00 0.00 31.44 29.23 3hx6 n GLU 699 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 3hx6 n THR 700 N 6.99 1.36 -4.07 6.31 -1.04 0.18 -5.00 114.28 119.01 3hx6 n THR 700 Ca 0.38 -0.40 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 3hx6 n THR 700 Cb 0.26 -1.69 -0.10 0.00 -1.82 0.00 0.00 70.33 66.98 3hx6 n THR 700 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3hx6 s PHE 701 N -2.46 0.51 -0.18 -1.42 2.19 0.16 -4.97 117.98 111.82 3hx6 s PHE 701 Ca -0.34 -1.04 -0.09 0.00 0.33 0.00 0.00 56.93 55.79 3hx6 s PHE 701 Cb 0.12 -0.36 0.06 0.00 -1.31 0.00 0.00 43.02 41.53 3hx6 s PHE 701 CO 0.47 -0.41 0.43 0.00 1.83 0.00 0.00 175.22 177.53 3hx6 s ALA 702 N -3.93 -1.11 -0.00 11.12 0.00 -1.25 0.42 121.76 127.01 3hx6 s ALA 702 Ca 0.08 1.57 0.04 0.00 0.00 0.00 0.00 51.96 53.66 3hx6 s ALA 702 Cb 0.08 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3hx6 s ALA 702 CO -0.09 -0.34 -0.12 0.12 0.00 0.00 0.00 175.76 175.33 3hx6 s PHE 703 N 1.58 2.74 -0.23 0.00 2.19 0.14 -4.95 117.98 119.45 3hx6 s PHE 703 Ca -0.09 -0.13 -0.02 0.00 0.33 0.00 0.00 56.93 57.02 3hx6 s PHE 703 Cb -0.09 -1.57 0.07 0.00 -1.31 0.00 0.00 43.02 40.12 3hx6 s PHE 703 CO -0.13 0.29 0.05 0.42 1.83 0.00 0.00 175.22 177.67 3hx6 s ILE 704 N -0.90 0.61 0.48 3.12 1.01 -1.26 -2.24 121.20 122.02 3hx6 s ILE 704 Ca 0.15 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 3hx6 s ILE 704 Cb -0.11 -1.21 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 3hx6 s ILE 704 CO 0.05 -0.34 0.88 -2.65 0.00 0.00 0.00 174.94 172.87 3hx6 n PRO 705 N 5.00 1.05 -0.22 2.79 -0.02 -1.26 -4.55 135.00 137.79 3hx6 n PRO 705 Ca -0.07 0.39 0.16 0.00 -2.02 0.00 0.00 63.50 61.95 3hx6 n PRO 705 Cb 0.45 -1.96 0.47 0.00 -0.02 0.00 0.00 33.50 32.45 3hx6 n PRO 705 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hx6 h SER 706 N 1.07 0.47 0.03 2.55 0.02 -2.00 0.70 113.55 116.39 3hx6 h SER 706 Ca -0.45 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 3hx6 h SER 706 Cb 1.36 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3hx6 h SER 706 CO 0.54 0.22 -0.42 0.00 -1.14 0.00 0.00 176.83 176.02 3hx6 h ALA 707 N 1.62 0.88 0.23 3.77 0.00 -1.99 -1.22 119.26 122.56 3hx6 h ALA 707 Ca 0.43 -0.44 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 3hx6 h ALA 707 Cb 0.94 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hx6 h ALA 707 CO -0.17 0.64 -1.44 0.28 0.00 0.00 0.00 179.25 178.57 3hx6 h VAL 708 N 0.41 1.31 0.00 0.00 2.07 -0.98 -2.41 116.25 116.65 3hx6 h VAL 708 Ca 0.03 -2.74 -0.07 0.00 0.82 0.00 0.00 66.70 64.75 3hx6 h VAL 708 Cb 0.91 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 3hx6 h VAL 708 CO 0.08 0.82 -0.32 0.15 0.02 0.00 0.00 177.57 178.31 3hx6 h PHE 709 N 0.15 0.00 0.00 1.57 3.57 0.28 -2.86 116.94 119.65 3hx6 h PHE 709 Ca -0.24 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.01 3hx6 h PHE 709 Cb 2.13 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.83 3hx6 h PHE 709 CO 0.12 0.32 -1.44 1.49 -2.23 0.00 0.00 178.31 176.58 3hx6 h GLU 710 N 0.00 0.00 0.00 1.11 4.81 -1.28 -3.25 114.58 115.97 3hx6 h GLU 710 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3hx6 h GLU 710 Cb 0.67 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 3hx6 h GLU 710 CO 0.04 0.66 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.70 3hx6 h LYS 711 N 0.00 0.00 -2.37 1.92 1.63 -1.21 -2.10 116.57 114.44 3hx6 h LYS 711 Ca -0.18 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.21 3hx6 h LYS 711 Cb 1.91 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.49 3hx6 h LYS 711 CO 0.10 0.06 1.27 -1.33 -3.45 0.00 0.00 179.45 176.10 3hx6 n MET 712 N -4.27 2.76 0.00 1.90 2.81 -1.13 -5.11 117.12 114.09 3hx6 n MET 712 Ca -0.03 -1.67 0.00 0.00 -1.81 0.00 0.00 57.70 54.20 3hx6 n MET 712 Cb 0.15 -2.32 0.00 0.00 -0.71 0.00 0.00 33.22 30.34 3hx6 n MET 712 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 3hx6 n HIS 713 N 2.67 0.00 0.00 2.03 -0.00 -0.79 -5.03 115.22 114.10 3hx6 n HIS 713 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 3hx6 n HIS 713 Cb 0.62 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 3hx6 n HIS 713 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 3hx6 n GLN 721 N 0.00 0.00 0.00 1.57 7.27 -1.26 -5.08 117.38 119.88 3hx6 n GLN 721 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hx6 n GLN 721 Cb 0.25 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.90 3hx6 n GLN 721 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hx6 n GLY 722 N 0.00 2.73 0.12 1.69 0.00 -1.26 -4.58 105.19 103.89 3hx6 n GLY 722 Ca 0.00 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 3hx6 n GLY 722 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hx6 h GLY 723 N 0.00 0.32 0.98 -0.02 0.00 -2.03 0.11 103.07 102.44 3hx6 h GLY 723 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hx6 h GLY 723 CO 0.00 0.28 0.13 0.00 0.00 0.00 0.00 176.54 176.95 3hx6 h ALA 724 N 0.64 0.27 -0.31 3.60 0.00 -1.95 0.21 119.26 121.71 3hx6 h ALA 724 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hx6 h ALA 724 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hx6 h ALA 724 CO 0.02 -0.23 0.02 1.25 0.00 0.00 0.00 179.25 180.32 3hx6 h HIS 725 N 0.26 0.58 -0.47 0.00 -0.00 -1.80 -2.19 115.15 111.52 3hx6 h HIS 725 Ca 0.08 -0.09 -0.05 0.00 -0.00 0.00 0.00 60.37 60.30 3hx6 h HIS 725 Cb 0.01 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 3hx6 h HIS 725 CO -0.05 0.64 0.09 0.37 -0.00 0.00 0.00 177.93 178.98 3hx6 h GLN 726 N 0.34 0.73 -0.67 5.26 5.75 -0.63 -0.27 115.11 125.63 3hx6 h GLN 726 Ca 0.09 -0.15 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3hx6 h GLN 726 Cb 0.40 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3hx6 h GLN 726 CO 0.01 0.68 0.44 0.35 -2.65 0.00 0.00 178.83 177.66 3hx6 h PHE 727 N 0.70 0.82 -0.10 3.99 3.04 -0.32 0.70 116.94 125.78 3hx6 h PHE 727 Ca 0.15 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 3hx6 h PHE 727 Cb 0.30 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 3hx6 h PHE 727 CO 0.02 0.50 -0.01 -0.92 -2.02 0.00 0.00 178.31 175.88 3hx6 h TYR 728 N 0.88 0.20 -0.57 0.41 5.03 -0.74 -2.50 116.97 119.69 3hx6 h TYR 728 Ca 0.25 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.57 3hx6 h TYR 728 Cb -0.06 -0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.12 3hx6 h TYR 728 CO -0.03 0.45 0.31 0.28 -1.32 0.00 0.00 178.16 177.84 3hx6 h VAL 729 N -0.10 0.98 -0.19 1.81 2.07 -0.70 -0.79 116.25 119.33 3hx6 h VAL 729 Ca 0.03 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3hx6 h VAL 729 Cb 0.37 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3hx6 h VAL 729 CO 0.01 0.11 -0.06 0.44 0.02 0.00 0.00 177.57 178.08 3hx6 h ASP 730 N 0.59 0.26 -0.02 0.57 3.32 -0.88 -3.41 116.42 116.84 3hx6 h ASP 730 Ca 0.25 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hx6 h ASP 730 Cb 0.13 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3hx6 h ASP 730 CO -0.15 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 178.34 3hx6 n GLY 731 N -0.99 0.81 3.23 2.75 0.00 -0.30 -4.22 105.19 106.47 3hx6 n GLY 731 Ca -0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 3hx6 n GLY 731 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hx6 s SER 732 N -4.00 -0.38 0.89 1.61 0.15 -1.26 -3.85 113.70 106.86 3hx6 s SER 732 Ca 0.00 0.72 -0.12 0.00 0.70 0.00 0.00 55.95 57.25 3hx6 s SER 732 Cb 0.00 0.69 0.13 0.00 -1.71 0.00 0.00 66.02 65.13 3hx6 s SER 732 CO 0.00 -0.14 1.11 -2.16 1.20 0.00 0.00 173.24 173.25 3hx6 s PRO 733 N 0.52 1.29 -0.16 5.44 0.04 -1.26 -4.98 135.00 135.89 3hx6 s PRO 733 Ca -0.03 0.49 -0.05 0.00 0.04 0.00 0.00 61.00 61.46 3hx6 s PRO 733 Cb -0.04 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3hx6 s PRO 733 CO -0.03 -2.14 -0.00 0.08 0.04 0.00 0.00 177.00 174.95 3hx6 s VAL 734 N -3.15 4.23 -0.03 -0.36 1.01 -0.03 -4.55 120.40 117.53 3hx6 s VAL 734 Ca 0.63 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.44 3hx6 s VAL 734 Cb -0.16 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 3hx6 s VAL 734 CO 0.55 0.50 -0.23 0.68 0.00 0.00 0.00 175.10 176.59 3hx6 s VAL 735 N 0.21 2.30 0.16 2.92 -7.23 -1.26 0.83 120.40 118.33 3hx6 s VAL 735 Ca 0.00 -1.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.92 3hx6 s VAL 735 Cb -0.13 -1.82 0.07 0.00 0.56 0.00 0.00 36.38 35.05 3hx6 s VAL 735 CO 0.02 0.58 0.67 0.00 -0.31 0.00 0.00 175.10 176.06 3hx6 s ALA 736 N -0.63 -1.57 0.00 1.32 0.00 -0.13 -4.97 121.76 115.78 3hx6 s ALA 736 Ca 0.10 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.31 3hx6 s ALA 736 Cb -0.10 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 3hx6 s ALA 736 CO -0.01 -0.81 0.48 -0.51 0.00 0.00 0.00 175.76 174.91 3hx6 s ASP 737 N -2.75 6.88 0.07 0.00 1.01 -1.26 0.43 116.67 121.04 3hx6 s ASP 737 Ca 0.03 1.04 -0.06 0.00 0.71 0.00 0.00 52.55 54.27 3hx6 s ASP 737 Cb -0.02 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 3hx6 s ASP 737 CO -0.09 0.24 0.12 0.00 0.21 0.00 0.00 175.17 175.65 3hx6 s ALA 738 N -0.74 -0.03 -0.15 5.23 0.00 -0.04 -4.93 121.76 121.10 3hx6 s ALA 738 Ca 0.26 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 3hx6 s ALA 738 Cb -0.17 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 3hx6 s ALA 738 CO 0.15 -0.43 -0.13 0.12 0.00 0.00 0.00 175.76 175.47 3hx6 s PHE 739 N -3.55 2.81 -0.05 0.00 2.19 -1.26 -0.74 117.98 117.37 3hx6 s PHE 739 Ca 0.03 -0.87 -0.30 0.00 0.33 0.00 0.00 56.93 56.12 3hx6 s PHE 739 Cb 0.04 -1.89 0.11 0.00 -1.31 0.00 0.00 43.02 39.97 3hx6 s PHE 739 CO -0.09 -0.37 0.97 -0.59 1.83 0.00 0.00 175.22 176.96 3hx6 s PHE 740 N 0.69 -0.30 -1.67 10.12 -0.12 -0.56 -4.22 117.98 121.93 3hx6 s PHE 740 Ca -0.06 0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.02 3hx6 s PHE 740 Cb -0.15 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 3hx6 s PHE 740 CO 0.02 -0.46 0.00 0.41 -0.05 0.00 0.00 175.22 175.14 3hx6 n GLY 741 N -0.16 0.80 2.32 1.99 0.00 -1.26 -1.83 105.19 107.05 3hx6 n GLY 741 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 3hx6 n GLY 741 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 742 N -0.93 0.47 3.36 -0.02 0.00 -1.26 -5.00 105.19 101.81 3hx6 n GLY 742 Ca -0.19 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3hx6 n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx6 s ALA 743 N -1.79 -0.08 0.26 4.61 0.00 -0.76 -4.80 121.76 119.19 3hx6 s ALA 743 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 3hx6 s ALA 743 Cb 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.89 3hx6 s ALA 743 CO 0.00 -0.66 0.80 -1.58 0.00 0.00 0.00 175.76 174.32 3hx6 s TRP 744 N -3.96 3.66 0.12 0.00 0.52 -1.26 -1.49 118.94 116.52 3hx6 s TRP 744 Ca 0.16 1.52 -0.05 0.00 0.02 0.00 0.00 56.10 57.76 3hx6 s TRP 744 Cb 0.03 -2.72 -0.02 0.00 -1.15 0.00 0.00 33.47 29.60 3hx6 s TRP 744 CO -0.00 0.28 0.14 -1.01 0.02 0.00 0.00 176.95 176.38 3hx6 s HIS 745 N -1.57 0.50 -0.20 -1.98 3.76 0.08 -4.97 115.29 110.91 3hx6 s HIS 745 Ca 0.46 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 54.42 3hx6 s HIS 745 Cb -0.17 -0.24 -0.01 0.00 1.11 0.00 0.00 32.58 33.27 3hx6 s HIS 745 CO 0.22 -0.56 -0.06 0.99 -0.85 0.00 0.00 174.74 174.47 3hx6 s THR 746 N -3.96 3.30 0.29 1.30 2.01 -1.26 -0.86 115.64 116.47 3hx6 s THR 746 Ca 0.15 -0.53 0.10 0.00 0.31 0.00 0.00 61.69 61.71 3hx6 s THR 746 Cb 0.06 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 3hx6 s THR 746 CO -0.04 0.45 -0.01 0.54 -0.69 0.00 0.00 174.62 174.88 3hx6 s VAL 747 N 1.17 3.12 -0.07 3.82 0.11 0.17 -0.01 120.40 128.71 3hx6 s VAL 747 Ca 0.02 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.12 3hx6 s VAL 747 Cb -0.14 -2.79 0.02 0.00 -1.53 0.00 0.00 36.38 31.94 3hx6 s VAL 747 CO -0.02 -0.32 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.16 3hx6 s LEU 748 N -3.68 1.16 -0.20 2.54 0.20 0.11 -0.96 118.68 117.86 3hx6 s LEU 748 Ca 0.33 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.91 3hx6 s LEU 748 Cb -0.04 -0.62 -0.02 0.00 -0.43 0.00 0.00 46.19 45.07 3hx6 s LEU 748 CO 0.20 -0.09 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.51 3hx6 s ILE 749 N 1.35 3.68 0.46 6.68 1.09 0.24 0.08 121.20 134.79 3hx6 s ILE 749 Ca -0.03 -0.40 0.03 0.00 -1.10 0.00 0.00 60.65 59.14 3hx6 s ILE 749 Cb -0.14 -2.66 -0.02 0.00 -1.06 0.00 0.00 42.46 38.59 3hx6 s ILE 749 CO -0.03 0.44 0.08 -0.83 -0.10 0.00 0.00 174.94 174.50 3hx6 s GLY 750 N 1.09 2.84 0.17 6.18 0.00 0.37 -0.85 107.32 117.12 3hx6 s GLY 750 Ca 0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 44.72 43.86 3hx6 s GLY 750 CO 0.01 -2.00 0.32 -1.35 0.00 0.00 0.00 173.10 170.08 3hx6 s SER 751 N -3.74 0.00 0.00 1.64 1.04 -1.26 -1.60 113.70 109.78 3hx6 s SER 751 Ca 0.14 -0.83 0.23 0.00 0.48 0.00 0.00 55.95 55.98 3hx6 s SER 751 Cb 0.02 0.46 1.27 0.00 0.10 0.00 0.00 66.02 67.86 3hx6 s SER 751 CO 0.09 -0.92 1.75 0.18 0.98 0.00 0.00 173.24 175.33 3hx6 n LEU 752 N -0.24 0.00 0.00 2.42 4.77 -0.81 -4.08 117.00 119.07 3hx6 n LEU 752 Ca -0.07 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3hx6 n LEU 752 Cb 0.63 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3hx6 n LEU 752 CO 0.23 -0.04 0.00 0.54 -1.33 0.00 0.00 177.39 176.80 3hx6 n ARG 753 N -1.15 0.00 0.00 3.23 5.12 -1.26 -0.97 116.66 121.63 3hx6 n ARG 753 Ca 0.14 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.19 3hx6 n ARG 753 Cb 0.13 0.00 0.49 0.00 -1.16 0.00 0.00 32.46 31.92 3hx6 n ARG 753 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hx6 n ALA 754 N 11.56 2.84 0.16 7.54 0.00 -1.26 -3.91 120.51 137.44 3hx6 n ALA 754 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 53.44 53.23 3hx6 n ALA 754 Cb 0.00 -1.32 0.26 0.00 0.00 0.00 0.00 19.45 18.39 3hx6 n ALA 754 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hx6 h GLY 755 N 4.99 0.00 -1.95 0.00 0.00 -1.34 -3.48 103.07 101.29 3hx6 h GLY 755 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 47.33 47.62 3hx6 h GLY 755 CO 0.00 0.00 0.80 -0.32 0.00 0.00 0.00 176.54 177.02 3hx6 s GLY 756 N -4.40 -0.11 -0.66 4.60 0.00 -1.22 -5.07 107.32 100.46 3hx6 s GLY 756 Ca -0.02 0.05 -0.15 0.00 0.00 0.00 0.00 44.72 44.61 3hx6 s GLY 756 CO 0.74 3.70 0.61 0.54 0.00 0.00 0.00 173.10 178.69 3hx6 s LYS 757 N -2.17 3.25 -0.02 2.90 1.02 -1.26 -4.24 119.74 119.22 3hx6 s LYS 757 Ca 0.24 -2.04 -0.28 0.00 0.02 0.00 0.00 55.97 53.91 3hx6 s LYS 757 Cb -0.00 -4.35 0.10 0.00 -0.52 0.00 0.00 37.83 33.06 3hx6 s LYS 757 CO 0.00 -1.31 0.84 0.20 -0.92 0.00 0.00 175.35 174.16 3hx6 s GLY 758 N 2.95 -0.46 0.08 -3.33 0.00 -1.26 -3.85 107.32 101.45 3hx6 s GLY 758 Ca 0.10 1.18 0.05 0.00 0.00 0.00 0.00 44.72 46.05 3hx6 s GLY 758 CO -0.02 0.54 -0.14 1.08 0.00 0.00 0.00 173.10 174.55 3hx6 s LEU 759 N -2.06 2.30 0.05 0.66 1.02 -0.15 -1.92 118.68 118.58 3hx6 s LEU 759 Ca 0.01 -0.65 -0.13 0.00 0.02 0.00 0.00 54.13 53.37 3hx6 s LEU 759 Cb -0.01 -0.53 0.02 0.00 0.02 0.00 0.00 46.19 45.69 3hx6 s LEU 759 CO -0.05 -0.09 0.30 0.72 0.02 0.00 0.00 176.35 177.25 3hx6 s PHE 760 N -1.42 -0.09 -0.02 0.29 -0.71 -0.63 0.82 117.98 116.23 3hx6 s PHE 760 Ca -0.00 -0.09 0.03 0.00 -1.04 0.00 0.00 56.93 55.83 3hx6 s PHE 760 Cb -0.09 0.09 -0.00 0.00 -1.21 0.00 0.00 43.02 41.81 3hx6 s PHE 760 CO 0.02 -0.52 -0.09 0.00 -1.34 0.00 0.00 175.22 173.29 3hx6 s ALA 761 N -2.75 0.85 0.10 1.99 0.00 -0.74 -0.48 121.76 120.72 3hx6 s ALA 761 Ca -0.04 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 51.66 3hx6 s ALA 761 Cb -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3hx6 s ALA 761 CO -0.05 0.16 -0.25 -0.51 0.00 0.00 0.00 175.76 175.11 3hx6 s LEU 762 N 0.04 2.27 -0.45 0.00 1.43 0.11 -1.53 118.68 120.56 3hx6 s LEU 762 Ca -0.01 -0.69 -0.20 0.00 -1.03 0.00 0.00 54.13 52.21 3hx6 s LEU 762 Cb -0.07 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.02 3hx6 s LEU 762 CO 0.00 0.17 0.61 -0.62 0.23 0.00 0.00 176.35 176.75 3hx6 s ASP 763 N -1.79 6.29 -0.19 2.29 -1.08 0.34 -0.71 116.67 121.82 3hx6 s ASP 763 Ca 0.12 -0.48 0.16 0.00 -0.52 0.00 0.00 52.55 51.83 3hx6 s ASP 763 Cb -0.10 -2.30 0.59 0.00 -1.46 0.00 0.00 42.92 39.65 3hx6 s ASP 763 CO 0.05 -0.77 1.49 0.55 0.52 0.00 0.00 175.17 177.00 3hx6 n VAL 764 N 5.75 2.37 -0.28 1.11 3.14 0.99 -2.21 118.33 129.21 3hx6 n VAL 764 Ca -0.03 -1.78 0.00 0.00 -2.96 0.00 0.00 64.34 59.57 3hx6 n VAL 764 Cb 0.47 -0.25 0.13 0.00 -1.06 0.00 0.00 33.84 33.13 3hx6 n VAL 764 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 3hx6 h THR 765 N 2.23 1.00 -3.63 1.55 2.02 -1.74 -3.35 112.91 111.00 3hx6 h THR 765 Ca 0.00 -0.29 -0.68 0.00 0.77 0.00 0.00 66.41 66.21 3hx6 h THR 765 Cb 1.54 0.08 -0.36 0.00 -1.74 0.00 0.00 68.15 67.67 3hx6 h THR 765 CO 0.27 0.16 -0.65 -0.62 0.37 0.00 0.00 175.52 175.05 3hx6 s ASP 766 N -5.69 4.98 0.50 4.18 2.15 -1.26 -4.90 116.67 116.63 3hx6 s ASP 766 Ca -0.13 -1.87 0.25 0.00 0.43 0.00 0.00 52.55 51.23 3hx6 s ASP 766 Cb 0.18 -1.73 1.34 0.00 -0.30 0.00 0.00 42.92 42.41 3hx6 s ASP 766 CO 0.78 -0.41 1.93 1.55 -0.17 0.00 0.00 175.17 178.84 3hx6 h PRO 767 N 7.89 0.11 0.00 4.34 0.13 -1.89 0.56 132.00 143.14 3hx6 h PRO 767 Ca -0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3hx6 h PRO 767 Cb 1.04 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3hx6 h PRO 767 CO 0.60 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 3hx6 n ALA 768 N -2.63 2.29 -3.03 -0.56 0.00 -1.26 -4.18 120.51 111.13 3hx6 n ALA 768 Ca 0.15 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 3hx6 n ALA 768 Cb 0.74 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 3hx6 n ALA 768 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hx6 n ASN 769 N -1.45 -1.16 -4.72 0.00 5.15 0.20 -5.12 115.26 108.16 3hx6 n ASN 769 Ca 0.08 -2.89 -0.41 0.00 -0.60 0.00 0.00 54.58 50.75 3hx6 n ASN 769 Cb 0.30 0.37 -0.04 0.00 -0.53 0.00 0.00 39.78 39.88 3hx6 n ASN 769 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hx6 s ILE 770 N -0.31 4.51 0.19 -1.44 1.01 -1.09 -4.50 121.20 119.57 3hx6 s ILE 770 Ca 0.34 1.97 0.11 0.00 0.00 0.00 0.00 60.65 63.07 3hx6 s ILE 770 Cb 0.17 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3hx6 s ILE 770 CO -0.16 0.25 -0.23 -0.54 0.00 0.00 0.00 174.94 174.26 3hx6 s LYS 771 N 0.37 1.58 -0.38 2.79 1.02 -0.94 -4.96 119.74 119.21 3hx6 s LYS 771 Ca 0.50 -1.50 -0.19 0.00 0.02 0.00 0.00 55.97 54.80 3hx6 s LYS 771 Cb -0.24 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 3hx6 s LYS 771 CO 0.30 0.40 0.57 -1.17 -0.92 0.00 0.00 175.35 174.53 3hx6 s LEU 772 N -2.68 4.42 -0.11 3.17 2.96 -1.26 -0.50 118.68 124.69 3hx6 s LEU 772 Ca 0.21 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.70 3hx6 s LEU 772 Cb -0.08 -2.65 -0.25 0.00 0.50 0.00 0.00 46.19 43.71 3hx6 s LEU 772 CO 0.10 -0.61 0.89 -0.07 -1.32 0.00 0.00 176.35 175.34 3hx6 h LEU 773 N 9.34 0.05 -7.31 -0.68 3.38 -1.61 -3.48 115.31 114.99 3hx6 h LEU 773 Ca -0.27 -0.89 0.21 0.00 0.09 0.00 0.00 57.88 57.03 3hx6 h LEU 773 Cb 1.11 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 3hx6 h LEU 773 CO 0.83 0.93 0.62 -1.66 0.09 0.00 0.00 178.44 179.25 3hx6 s TRP 774 N -2.66 -0.15 -0.03 1.13 1.48 -1.18 -4.90 118.94 112.62 3hx6 s TRP 774 Ca -0.18 -0.03 0.01 0.00 -1.06 0.00 0.00 56.10 54.84 3hx6 s TRP 774 Cb -0.02 0.58 0.03 0.00 -1.16 0.00 0.00 33.47 32.89 3hx6 s TRP 774 CO 0.70 -0.53 -0.01 -1.21 -4.06 0.00 0.00 176.95 171.83 3hx6 s GLU 775 N -2.90 0.47 -0.04 3.25 2.02 -1.26 -1.79 118.70 118.45 3hx6 s GLU 775 Ca 0.11 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.15 3hx6 s GLU 775 Cb 0.00 -0.60 -0.03 0.00 0.10 0.00 0.00 34.13 33.61 3hx6 s GLU 775 CO -0.03 -0.12 -0.13 0.42 0.02 0.00 0.00 175.26 175.42 3hx6 s ILE 776 N 0.99 3.15 0.20 -1.63 1.01 0.24 -4.97 121.20 120.19 3hx6 s ILE 776 Ca -0.10 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3hx6 s ILE 776 Cb -0.14 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3hx6 s ILE 776 CO -0.01 0.55 0.17 0.61 0.00 0.00 0.00 174.94 176.27 3hx6 n GLY 777 N 2.17 3.33 0.26 6.18 0.00 -1.26 -0.97 105.19 114.89 3hx6 n GLY 777 Ca -0.17 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.14 3hx6 n GLY 777 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hx6 h VAL 778 N 1.64 0.94 -0.74 1.61 -1.51 -1.72 0.43 116.25 116.91 3hx6 h VAL 778 Ca -0.14 -0.21 0.02 0.00 -1.23 0.00 0.00 66.70 65.14 3hx6 h VAL 778 Cb 0.72 1.11 -0.04 0.00 -2.13 0.00 0.00 31.29 30.96 3hx6 h VAL 778 CO 0.21 0.06 0.49 0.44 -1.23 0.00 0.00 177.57 177.54 3hx6 h ASP 779 N 0.00 0.82 0.42 4.19 3.45 -1.94 -1.65 116.42 121.71 3hx6 h ASP 779 Ca -0.00 -0.02 -0.31 0.00 0.43 0.00 0.00 57.03 57.13 3hx6 h ASP 779 Cb 0.11 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 3hx6 h ASP 779 CO 0.01 0.58 -1.70 1.56 -1.57 0.00 0.00 179.24 178.12 3hx6 h GLN 780 N 0.97 0.13 -2.83 3.56 7.50 -1.59 -3.43 115.11 119.41 3hx6 h GLN 780 Ca 0.28 -0.22 -0.58 0.00 0.50 0.00 0.00 58.65 58.63 3hx6 h GLN 780 Cb -0.04 0.08 -0.40 0.00 0.05 0.00 0.00 27.48 27.17 3hx6 h GLN 780 CO -0.07 0.86 -0.80 -2.00 -1.50 0.00 0.00 178.83 175.32 3hx6 s GLU 781 N -2.60 0.69 0.53 1.46 2.56 0.01 -4.91 118.70 116.45 3hx6 s GLU 781 Ca -0.10 -1.33 0.33 0.00 0.00 0.00 0.00 54.97 53.87 3hx6 s GLU 781 Cb 0.07 -1.61 1.50 0.00 2.00 0.00 0.00 34.13 36.09 3hx6 s GLU 781 CO 0.82 -1.14 1.85 -1.00 -0.56 0.00 0.00 175.26 175.23 3hx6 h PRO 782 N 7.30 0.02 -0.64 4.30 0.13 -1.56 -0.52 132.00 141.03 3hx6 h PRO 782 Ca -0.02 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3hx6 h PRO 782 Cb 0.97 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3hx6 h PRO 782 CO 0.37 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 177.90 3hx6 n ASP 783 N -4.24 4.14 -4.71 1.44 8.00 -1.26 -4.27 116.55 115.64 3hx6 n ASP 783 Ca 0.22 -2.48 -0.42 0.00 0.71 0.00 0.00 54.79 52.82 3hx6 n ASP 783 Cb 1.07 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 3hx6 n ASP 783 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hx6 s LEU 784 N -1.75 4.38 0.00 0.64 2.96 -0.20 -4.77 118.68 119.93 3hx6 s LEU 784 Ca 0.41 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 3hx6 s LEU 784 Cb 0.28 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.40 3hx6 s LEU 784 CO 0.17 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 3hx6 n GLY 785 N 2.95 5.35 3.64 7.98 0.00 0.11 -4.50 105.19 120.72 3hx6 n GLY 785 Ca 0.07 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3hx6 n GLY 785 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx6 s TYR 786 N 0.78 1.81 -1.41 1.61 2.02 0.43 -4.24 117.35 118.36 3hx6 s TYR 786 Ca 0.00 0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.92 3hx6 s TYR 786 Cb 0.00 -4.01 -0.07 0.00 -0.40 0.00 0.00 41.96 37.49 3hx6 s TYR 786 CO 0.00 -3.68 2.62 0.43 -1.57 0.00 0.00 175.55 173.35 3hx6 n SER 787 N 8.57 6.89 0.16 2.29 7.64 -1.26 -2.04 113.62 135.86 3hx6 n SER 787 Ca 0.20 -2.56 0.01 0.00 1.01 0.00 0.00 58.87 57.53 3hx6 n SER 787 Cb 0.44 -1.45 0.23 0.00 -1.01 0.00 0.00 64.21 62.41 3hx6 n SER 787 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3hx6 h PHE 788 N 5.58 0.00 -3.75 1.43 0.04 -1.89 -3.43 116.94 114.93 3hx6 h PHE 788 Ca 0.73 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.94 3hx6 h PHE 788 Cb 0.33 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.61 3hx6 h PHE 788 CO 1.81 0.53 0.51 -2.30 -0.60 0.00 0.00 178.31 178.25 3hx6 n PRO 789 N -3.67 1.78 -3.07 1.51 -0.02 -1.26 -4.94 135.00 125.32 3hx6 n PRO 789 Ca -0.01 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 3hx6 n PRO 789 Cb 0.58 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 3hx6 n PRO 789 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3hx6 s LYS 790 N -2.51 4.13 0.66 -0.52 1.02 -1.26 -4.88 119.74 116.38 3hx6 s LYS 790 Ca 0.66 0.62 -0.11 0.00 0.02 0.00 0.00 55.97 57.16 3hx6 s LYS 790 Cb -0.46 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.20 3hx6 s LYS 790 CO 0.54 -0.41 1.05 -1.25 -0.92 0.00 0.00 175.35 174.36 3hx6 s PRO 791 N 2.49 3.21 -0.02 -1.68 0.04 -1.26 -4.14 135.00 133.65 3hx6 s PRO 791 Ca 0.28 0.84 0.06 0.00 0.04 0.00 0.00 61.00 62.21 3hx6 s PRO 791 Cb -0.15 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 3hx6 s PRO 791 CO 0.08 -0.87 -0.20 0.99 0.04 0.00 0.00 177.00 177.05 3hx6 s THR 792 N -3.12 2.59 -0.23 1.26 2.01 0.29 -4.95 115.64 113.49 3hx6 s THR 792 Ca 0.57 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 3hx6 s THR 792 Cb -0.13 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 3hx6 s THR 792 CO 0.54 0.54 0.03 -0.69 -0.69 0.00 0.00 174.62 174.35 3hx6 s VAL 793 N -0.72 3.99 0.20 3.82 1.01 -1.26 0.04 120.40 127.48 3hx6 s VAL 793 Ca 0.11 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 3hx6 s VAL 793 Cb -0.10 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.45 3hx6 s VAL 793 CO 0.01 0.38 0.47 0.00 0.00 0.00 0.00 175.10 175.95 3hx6 s ALA 794 N 1.45 -0.64 -0.08 5.51 0.00 -0.58 -4.97 121.76 122.45 3hx6 s ALA 794 Ca 0.05 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 3hx6 s ALA 794 Cb -0.15 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3hx6 s ALA 794 CO 0.01 -0.78 0.59 0.50 0.00 0.00 0.00 175.76 176.08 3hx6 s ARG 795 N -3.91 4.37 0.39 0.00 6.06 -1.26 -0.46 118.95 124.14 3hx6 s ARG 795 Ca 0.13 0.67 0.08 0.00 -2.50 0.00 0.00 55.73 54.11 3hx6 s ARG 795 Cb -0.00 -3.42 -0.05 0.00 0.06 0.00 0.00 34.95 31.53 3hx6 s ARG 795 CO -0.00 0.16 0.14 -0.51 -2.50 0.00 0.00 175.30 172.59 3hx6 s LEU 796 N 0.53 3.10 0.00 -0.88 1.43 -0.28 -0.95 118.68 121.63 3hx6 s LEU 796 Ca 0.32 -1.05 0.13 0.00 -1.03 0.00 0.00 54.13 52.49 3hx6 s LEU 796 Cb -0.17 -1.42 0.77 0.00 0.03 0.00 0.00 46.19 45.40 3hx6 s LEU 796 CO 0.15 -0.46 1.19 1.41 0.23 0.00 0.00 176.35 178.87 3hx6 n HIS 797 N -1.17 0.00 0.45 0.29 8.25 -1.26 -1.98 115.22 119.80 3hx6 n HIS 797 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 3hx6 n HIS 797 Cb 0.64 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.95 3hx6 n HIS 797 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hx6 n ASN 798 N -0.94 2.67 0.00 0.41 6.94 -1.26 -2.06 115.26 121.02 3hx6 n ASN 798 Ca 0.10 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 3hx6 n ASN 798 Cb 0.04 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 3hx6 n ASN 798 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hx6 n GLY 799 N 0.93 0.93 3.33 4.83 0.00 -0.84 -2.93 105.19 111.46 3hx6 n GLY 799 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 3hx6 n GLY 799 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx6 s LYS 800 N -0.09 1.38 0.19 1.61 1.02 -1.24 -4.95 119.74 117.66 3hx6 s LYS 800 Ca 0.00 -1.72 -0.17 0.00 0.02 0.00 0.00 55.97 54.10 3hx6 s LYS 800 Cb 0.00 -0.50 -0.08 0.00 -0.52 0.00 0.00 37.83 36.74 3hx6 s LYS 800 CO 0.00 -0.18 0.64 -1.58 -0.92 0.00 0.00 175.35 173.32 3hx6 s TRP 801 N -3.54 3.62 0.15 3.18 0.52 -1.26 -1.12 118.94 120.49 3hx6 s TRP 801 Ca 0.32 1.23 -0.07 0.00 0.02 0.00 0.00 56.10 57.61 3hx6 s TRP 801 Cb 0.07 -2.50 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 3hx6 s TRP 801 CO 0.11 0.37 0.22 0.00 0.02 0.00 0.00 176.95 177.66 3hx6 s ALA 802 N -1.51 0.25 -0.29 0.98 0.00 0.39 -1.64 121.76 119.95 3hx6 s ALA 802 Ca 0.41 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 3hx6 s ALA 802 Cb -0.16 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 3hx6 s ALA 802 CO 0.20 -0.60 0.24 0.08 0.00 0.00 0.00 175.76 175.68 3hx6 s VAL 803 N -3.99 5.28 -0.23 0.00 1.01 0.20 -1.52 120.40 121.14 3hx6 s VAL 803 Ca 0.19 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 3hx6 s VAL 803 Cb 0.05 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.84 3hx6 s VAL 803 CO 0.00 0.19 -0.06 -0.69 0.00 0.00 0.00 175.10 174.54 3hx6 s VAL 804 N 1.82 3.09 0.28 2.92 1.01 0.11 -0.38 120.40 129.25 3hx6 s VAL 804 Ca 0.09 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 3hx6 s VAL 804 Cb -0.16 -2.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 3hx6 s VAL 804 CO 0.11 0.35 0.47 0.28 0.00 0.00 0.00 175.10 176.31 3hx6 s THR 805 N 1.41 0.00 0.47 3.92 -1.32 -0.64 -0.55 115.64 118.93 3hx6 s THR 805 Ca 0.04 -1.48 -0.12 0.00 -1.21 0.00 0.00 61.69 58.92 3hx6 s THR 805 Cb -0.15 -2.38 -0.06 0.00 -1.51 0.00 0.00 72.50 68.40 3hx6 s THR 805 CO -0.05 0.00 0.86 -0.83 -2.21 0.00 0.00 174.62 172.40 3hx6 s GLY 806 N -3.09 1.89 0.31 6.08 0.00 -1.22 -0.16 107.32 111.14 3hx6 s GLY 806 Ca 0.25 -0.12 0.25 0.00 0.00 0.00 0.00 44.72 45.11 3hx6 s GLY 806 CO 0.12 0.10 1.76 3.45 0.00 0.00 0.00 173.10 178.53 3hx6 h ASN 807 N 0.84 0.00 -4.76 1.64 -1.07 -1.19 -3.44 115.58 107.59 3hx6 h ASN 807 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.90 3hx6 h ASN 807 Cb 1.19 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 3hx6 h ASN 807 CO 0.63 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.74 3hx6 n GLY 808 N -0.10 -1.81 3.63 9.14 0.00 -0.98 0.07 105.19 115.13 3hx6 n GLY 808 Ca 0.02 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 3hx6 n GLY 808 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx6 s TYR 809 N -0.02 2.82 -1.43 1.61 2.02 -0.87 -3.52 117.35 117.97 3hx6 s TYR 809 Ca 0.00 -0.13 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 3hx6 s TYR 809 Cb 0.00 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 3hx6 s TYR 809 CO 0.00 0.47 0.99 0.43 -1.57 0.00 0.00 175.55 175.87 3hx6 n SER 810 N 0.39 -6.32 -4.73 2.29 7.64 -1.26 -0.43 113.62 111.19 3hx6 n SER 810 Ca -0.12 -0.45 -0.30 0.00 1.01 0.00 0.00 58.87 59.02 3hx6 n SER 810 Cb 0.53 -5.01 0.13 0.00 -1.01 0.00 0.00 64.21 58.85 3hx6 n SER 810 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hx6 s SER 811 N -3.11 3.63 0.24 6.43 1.04 -1.26 -4.72 113.70 115.95 3hx6 s SER 811 Ca 0.49 1.42 -0.13 0.00 0.48 0.00 0.00 55.95 58.22 3hx6 s SER 811 Cb -0.22 -2.11 0.32 0.00 0.10 0.00 0.00 66.02 64.11 3hx6 s SER 811 CO 0.61 -2.53 1.48 0.80 0.98 0.00 0.00 173.24 174.57 3hx6 n MET 812 N -3.81 -0.16 -0.66 4.02 0.00 -1.26 -1.39 117.12 113.85 3hx6 n MET 812 Ca 0.07 1.47 0.03 0.00 -0.00 0.00 0.00 57.70 59.27 3hx6 n MET 812 Cb 0.56 -2.19 0.27 0.00 0.00 0.00 0.00 33.22 31.85 3hx6 n MET 812 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3hx6 n ASN 813 N -5.47 3.97 -2.87 6.12 3.02 -1.26 -4.96 115.26 113.81 3hx6 n ASN 813 Ca 0.12 -3.19 -0.16 0.00 -0.03 0.00 0.00 54.58 51.32 3hx6 n ASN 813 Cb 0.42 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 3hx6 n ASN 813 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hx6 n ASP 814 N -0.47 -3.35 -4.95 6.41 8.00 -0.49 -4.94 116.55 116.76 3hx6 n ASP 814 Ca 0.28 -0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.52 3hx6 n ASP 814 Cb 1.05 -2.84 0.03 0.00 -0.02 0.00 0.00 41.12 39.34 3hx6 n ASP 814 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hx6 s LYS 815 N -5.47 2.78 -0.07 -1.24 1.02 -1.25 -1.54 119.74 113.96 3hx6 s LYS 815 Ca 0.18 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.74 3hx6 s LYS 815 Cb -0.10 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3hx6 s LYS 815 CO 0.22 -0.58 -0.24 0.00 -0.92 0.00 0.00 175.35 173.83 3hx6 s ALA 816 N -2.76 2.14 -0.10 5.17 0.00 -1.26 -3.79 121.76 121.16 3hx6 s ALA 816 Ca 0.53 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 3hx6 s ALA 816 Cb -0.10 -0.72 0.06 0.00 0.00 0.00 0.00 23.12 22.36 3hx6 s ALA 816 CO 0.40 0.36 0.60 0.00 0.00 0.00 0.00 175.76 177.12 3hx6 s ALA 817 N 0.03 -1.54 -0.07 0.00 0.00 -1.26 -1.55 121.76 117.37 3hx6 s ALA 817 Ca -0.09 1.29 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 3hx6 s ALA 817 Cb -0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3hx6 s ALA 817 CO 0.06 -0.33 0.74 -1.17 0.00 0.00 0.00 175.76 175.06 3hx6 s LEU 818 N -0.75 4.30 -0.19 0.00 2.96 -0.39 -1.21 118.68 123.40 3hx6 s LEU 818 Ca -0.08 1.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.98 3hx6 s LEU 818 Cb -0.02 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 3hx6 s LEU 818 CO 0.06 -0.17 0.06 -0.76 -1.32 0.00 0.00 176.35 174.23 3hx6 s LEU 819 N 0.99 3.78 -0.35 -0.68 1.43 0.78 -0.99 118.68 123.65 3hx6 s LEU 819 Ca 0.39 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 3hx6 s LEU 819 Cb -0.18 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.17 3hx6 s LEU 819 CO 0.18 0.15 0.07 -0.63 0.23 0.00 0.00 176.35 176.36 3hx6 s ILE 820 N 0.49 2.69 -0.23 -0.59 1.01 0.06 -1.63 121.20 123.01 3hx6 s ILE 820 Ca 0.03 -2.03 -0.09 0.00 0.00 0.00 0.00 60.65 58.56 3hx6 s ILE 820 Cb -0.13 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3hx6 s ILE 820 CO 0.01 -0.49 0.11 -0.63 0.00 0.00 0.00 174.94 173.94 3hx6 s ILE 821 N 1.05 4.94 0.12 2.92 1.01 0.49 -0.30 121.20 131.43 3hx6 s ILE 821 Ca 0.05 0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.42 3hx6 s ILE 821 Cb -0.20 -3.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.87 3hx6 s ILE 821 CO -0.05 0.37 1.83 -0.67 0.00 0.00 0.00 174.94 176.42 3hx6 n ASP 822 N 4.24 3.99 -0.10 3.58 2.03 -0.11 0.59 116.55 130.76 3hx6 n ASP 822 Ca -0.16 0.99 -0.05 0.00 0.52 0.00 0.00 54.79 56.09 3hx6 n ASP 822 Cb 0.52 -1.54 0.01 0.00 -0.72 0.00 0.00 41.12 39.40 3hx6 n ASP 822 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 3hx6 h MET 823 N 8.42 0.06 0.04 -0.67 1.85 -1.62 0.26 114.93 123.27 3hx6 h MET 823 Ca -0.46 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.62 3hx6 h MET 823 Cb 1.22 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.24 3hx6 h MET 823 CO 0.95 0.04 -0.02 1.49 -0.40 0.00 0.00 176.91 178.96 3hx6 h GLU 824 N 0.06 -0.05 0.00 0.39 4.81 -1.90 -3.38 114.58 114.51 3hx6 h GLU 824 Ca 0.17 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.17 3hx6 h GLU 824 Cb 0.25 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 3hx6 h GLU 824 CO -0.32 0.36 -1.57 1.15 -0.73 0.00 0.00 179.01 177.90 3hx6 h THR 825 N -0.48 0.72 0.00 0.32 2.02 -1.91 -3.46 112.91 110.12 3hx6 h THR 825 Ca -0.01 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.74 3hx6 h THR 825 Cb 0.44 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3hx6 h THR 825 CO 0.01 0.41 0.00 0.61 0.37 0.00 0.00 175.52 176.92 3hx6 n GLY 826 N 1.49 0.83 3.77 2.16 0.00 0.89 -4.88 105.19 109.44 3hx6 n GLY 826 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3hx6 n GLY 826 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx6 s ALA 827 N -3.24 2.58 -0.89 4.61 0.00 -1.26 -4.68 121.76 118.89 3hx6 s ALA 827 Ca 0.00 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 3hx6 s ALA 827 Cb 0.00 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.84 3hx6 s ALA 827 CO 0.00 -1.02 1.25 0.42 0.00 0.00 0.00 175.76 176.41 3hx6 s ILE 828 N -1.96 4.19 0.26 0.00 -1.09 -1.26 -0.93 121.20 120.40 3hx6 s ILE 828 Ca 0.71 -0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 3hx6 s ILE 828 Cb -0.23 -4.89 0.26 0.00 -1.58 0.00 0.00 42.46 36.01 3hx6 s ILE 828 CO 0.33 -1.72 1.90 0.74 -1.23 0.00 0.00 174.94 174.96 3hx6 h THR 829 N 6.26 1.15 -1.92 2.92 2.02 -1.01 -3.44 112.91 118.90 3hx6 h THR 829 Ca 0.03 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 3hx6 h THR 829 Cb 1.03 -0.20 -0.22 0.00 -1.74 0.00 0.00 68.15 67.02 3hx6 h THR 829 CO 1.27 0.23 0.19 -0.13 0.37 0.00 0.00 175.52 177.45 3hx6 s ARG 830 N -6.07 0.77 -0.21 6.66 1.81 -0.99 -4.94 118.95 115.98 3hx6 s ARG 830 Ca -0.13 0.93 0.01 0.00 -1.72 0.00 0.00 55.73 54.82 3hx6 s ARG 830 Cb 0.19 0.37 0.03 0.00 -0.45 0.00 0.00 34.95 35.09 3hx6 s ARG 830 CO 0.82 -0.09 -0.15 0.21 -0.68 0.00 0.00 175.30 175.40 3hx6 s LYS 831 N 0.39 2.83 -0.67 3.54 2.20 -1.26 -0.76 119.74 126.01 3hx6 s LYS 831 Ca 0.00 -0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 54.56 3hx6 s LYS 831 Cb -0.05 -2.73 0.17 0.00 -1.51 0.00 0.00 37.83 33.72 3hx6 s LYS 831 CO -0.01 -0.31 0.57 -0.51 -0.36 0.00 0.00 175.35 174.73 3hx6 s LEU 832 N 1.27 6.12 0.40 5.43 1.02 -0.16 -4.94 118.68 127.82 3hx6 s LEU 832 Ca 0.01 -2.47 -0.24 0.00 0.02 0.00 0.00 54.13 51.45 3hx6 s LEU 832 Cb -0.15 -2.09 -0.09 0.00 0.02 0.00 0.00 46.19 43.89 3hx6 s LEU 832 CO -0.09 -0.58 1.08 -0.70 0.02 0.00 0.00 176.35 176.07 3hx6 s GLU 833 N 0.52 4.11 0.06 1.70 2.12 -1.26 -1.26 118.70 124.68 3hx6 s GLU 833 Ca 0.13 1.58 0.09 0.00 0.36 0.00 0.00 54.97 57.13 3hx6 s GLU 833 Cb -0.18 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.63 3hx6 s GLU 833 CO -0.04 -0.21 -0.23 0.54 -0.54 0.00 0.00 175.26 174.78 3hx6 s VAL 834 N -1.61 2.44 -0.06 3.70 0.11 -0.60 -4.86 120.40 119.52 3hx6 s VAL 834 Ca 0.58 -1.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.25 3hx6 s VAL 834 Cb -0.24 -2.01 -0.01 0.00 -1.53 0.00 0.00 36.38 32.60 3hx6 s VAL 834 CO 0.30 0.31 -0.04 0.74 -3.33 0.00 0.00 175.10 173.08 3hx6 h THR 835 N 4.04 0.00 -0.19 5.04 2.02 -1.86 -3.39 112.91 118.58 3hx6 h THR 835 Ca -0.48 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3hx6 h THR 835 Cb 1.15 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3hx6 h THR 835 CO 0.45 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.95 3hx6 n GLY 836 N 1.81 0.63 3.67 2.16 0.00 -1.26 -4.52 105.19 107.68 3hx6 n GLY 836 Ca -0.01 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 3hx6 n GLY 836 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx6 s ARG 837 N 0.00 4.23 0.55 1.61 0.52 -1.26 -5.06 118.95 119.54 3hx6 s ARG 837 Ca 0.00 0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 55.78 3hx6 s ARG 837 Cb 0.00 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.90 3hx6 s ARG 837 CO 0.00 -0.20 0.86 0.95 0.02 0.00 0.00 175.30 176.93 3hx6 s THR 838 N 1.78 4.14 0.00 0.02 -4.23 -1.26 -4.01 115.64 112.09 3hx6 s THR 838 Ca 0.29 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 3hx6 s THR 838 Cb -0.16 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3hx6 s THR 838 CO 0.11 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 3hx6 n GLY 839 N -2.46 0.48 3.13 3.99 0.00 -1.26 -4.97 105.19 104.10 3hx6 n GLY 839 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3hx6 n GLY 839 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hx6 s VAL 840 N -2.34 1.64 0.19 1.61 1.01 -1.26 -5.10 120.40 116.15 3hx6 s VAL 840 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.90 3hx6 s VAL 840 Cb 0.00 -1.44 -0.16 0.00 0.00 0.00 0.00 36.38 34.78 3hx6 s VAL 840 CO 0.00 0.47 0.92 -2.65 0.00 0.00 0.00 175.10 173.84 3hx6 n PRO 841 N 3.68 0.75 -4.03 2.72 -0.02 -1.26 -4.94 135.00 131.89 3hx6 n PRO 841 Ca -0.21 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.44 3hx6 n PRO 841 Cb 0.52 -1.58 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 3hx6 n PRO 841 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hx6 s ASN 842 N -0.45 0.01 -0.29 2.55 3.84 -0.59 -4.61 114.94 115.40 3hx6 s ASN 842 Ca 0.68 -1.02 -0.25 0.00 0.21 0.00 0.00 52.86 52.48 3hx6 s ASN 842 Cb -0.88 0.48 0.17 0.00 -0.55 0.00 0.00 41.25 40.48 3hx6 s ASN 842 CO 0.56 -0.98 1.34 -0.83 -2.79 0.00 0.00 177.10 174.40 3hx6 s GLY 843 N -3.03 0.21 0.06 1.21 0.00 -1.25 -3.90 107.32 100.63 3hx6 s GLY 843 Ca 0.25 3.26 -0.20 0.00 0.00 0.00 0.00 44.72 48.02 3hx6 s GLY 843 CO 0.07 1.83 0.59 -2.27 0.00 0.00 0.00 173.10 173.31 3hx6 s LEU 844 N -0.04 4.51 0.00 0.66 2.96 -1.23 -1.10 118.68 124.44 3hx6 s LEU 844 Ca 0.06 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 3hx6 s LEU 844 Cb -0.05 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.72 3hx6 s LEU 844 CO -0.13 0.23 0.00 -1.20 -1.32 0.00 0.00 176.35 173.94 3hx6 n SER 845 N 1.93 0.00 -4.68 3.68 7.64 0.05 -2.32 113.62 119.93 3hx6 n SER 845 Ca -0.09 -0.52 -0.45 0.00 1.01 0.00 0.00 58.87 58.82 3hx6 n SER 845 Cb 0.51 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 3hx6 n SER 845 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hx6 n SER 846 N -1.56 3.66 -4.92 6.43 7.64 -1.22 -3.38 113.62 120.27 3hx6 n SER 846 Ca 0.00 1.00 -0.26 0.00 1.01 0.00 0.00 58.87 60.62 3hx6 n SER 846 Cb 0.00 -1.47 -0.01 0.00 -1.01 0.00 0.00 64.21 61.73 3hx6 n SER 846 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3hx6 s PRO 847 N 2.83 3.52 -0.17 1.43 0.04 -1.26 -3.93 135.00 137.46 3hx6 s PRO 847 Ca 0.85 -0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.87 3hx6 s PRO 847 Cb -0.59 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.48 3hx6 s PRO 847 CO 0.42 -0.06 -0.16 0.50 0.04 0.00 0.00 177.00 177.74 3hx6 s ARG 848 N -4.56 2.55 0.24 4.56 6.06 0.17 -4.78 118.95 123.19 3hx6 s ARG 848 Ca 0.44 -0.71 -0.18 0.00 -2.50 0.00 0.00 55.73 52.78 3hx6 s ARG 848 Cb -0.10 -2.34 -0.08 0.00 0.06 0.00 0.00 34.95 32.49 3hx6 s ARG 848 CO 0.41 -0.25 0.71 -0.51 -2.50 0.00 0.00 175.30 173.16 3hx6 s LEU 849 N 1.39 4.27 -0.05 -0.88 1.02 -1.26 -0.60 118.68 122.57 3hx6 s LEU 849 Ca 0.04 1.35 0.06 0.00 0.02 0.00 0.00 54.13 55.60 3hx6 s LEU 849 Cb -0.13 -3.67 -0.01 0.00 0.02 0.00 0.00 46.19 42.39 3hx6 s LEU 849 CO -0.11 -0.02 -0.25 0.00 0.02 0.00 0.00 176.35 175.99 3hx6 s ALA 850 N -1.63 2.13 -0.39 4.21 0.00 0.97 -4.97 121.76 122.09 3hx6 s ALA 850 Ca 0.45 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.39 3hx6 s ALA 850 Cb -0.15 -0.64 0.11 0.00 0.00 0.00 0.00 23.12 22.44 3hx6 s ALA 850 CO 0.20 0.43 0.14 0.34 0.00 0.00 0.00 175.76 176.87 3hx6 s ASP 851 N -0.23 4.28 -0.04 0.00 2.15 -1.26 0.67 116.67 122.24 3hx6 s ASP 851 Ca -0.01 -2.28 0.08 0.00 0.43 0.00 0.00 52.55 50.76 3hx6 s ASP 851 Cb -0.13 -1.33 0.28 0.00 -0.30 0.00 0.00 42.92 41.44 3hx6 s ASP 851 CO 0.03 -0.34 1.12 0.59 -0.17 0.00 0.00 175.17 176.40 3hx6 n ASN 852 N 4.05 2.05 -0.55 -0.34 3.02 -1.26 -3.61 115.26 118.62 3hx6 n ASN 852 Ca 0.04 -2.14 0.01 0.00 -0.03 0.00 0.00 54.58 52.45 3hx6 n ASN 852 Cb 0.39 -0.34 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 3hx6 n ASN 852 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3hx6 n ASN 853 N 0.30 0.26 -4.19 6.41 6.94 -1.26 -5.04 115.26 118.68 3hx6 n ASN 853 Ca 0.10 -2.09 -0.39 0.00 -0.02 0.00 0.00 54.58 52.18 3hx6 n ASN 853 Cb 0.39 -0.23 -0.04 0.00 -2.36 0.00 0.00 39.78 37.55 3hx6 n ASN 853 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3hx6 n SER 854 N -0.07 -1.69 0.00 0.53 7.64 -1.24 -4.86 113.62 113.93 3hx6 n SER 854 Ca 0.02 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.62 3hx6 n SER 854 Cb 0.73 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3hx6 n SER 854 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hx6 n ASP 855 N -2.43 1.58 0.00 6.43 5.68 -1.26 -4.99 116.55 121.55 3hx6 n ASP 855 Ca -0.21 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 3hx6 n ASP 855 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 3hx6 n ASP 855 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hx6 n GLY 856 N -0.32 0.85 3.35 6.12 0.00 -1.26 -4.57 105.19 109.35 3hx6 n GLY 856 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hx6 n GLY 856 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hx6 s VAL 857 N -3.36 3.56 0.26 1.61 1.01 -1.26 -4.30 120.40 117.91 3hx6 s VAL 857 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 3hx6 s VAL 857 Cb 0.00 -2.62 -0.11 0.00 0.00 0.00 0.00 36.38 33.65 3hx6 s VAL 857 CO 0.00 0.42 1.60 0.00 0.00 0.00 0.00 175.10 177.12 3hx6 s ALA 858 N 1.39 3.78 -0.16 5.51 0.00 -0.12 -4.67 121.76 127.49 3hx6 s ALA 858 Ca 0.05 1.53 0.05 0.00 0.00 0.00 0.00 51.96 53.58 3hx6 s ALA 858 Cb -0.14 -3.65 -0.13 0.00 0.00 0.00 0.00 23.12 19.20 3hx6 s ALA 858 CO -0.01 -0.92 -0.08 -0.25 0.00 0.00 0.00 175.76 174.50 3hx6 n ASP 859 N 2.78 2.33 -4.20 0.00 8.00 0.21 -4.36 116.55 121.31 3hx6 n ASP 859 Ca 0.10 -0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 3hx6 n ASP 859 Cb 0.37 0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 3hx6 n ASP 859 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hx6 s TYR 860 N -2.33 1.05 -0.00 1.24 2.02 -0.87 -0.57 117.35 117.89 3hx6 s TYR 860 Ca -0.17 -1.12 0.01 0.00 -0.37 0.00 0.00 57.07 55.42 3hx6 s TYR 860 Cb 0.05 -0.60 -0.00 0.00 -0.40 0.00 0.00 41.96 41.01 3hx6 s TYR 860 CO 0.45 -0.35 -0.04 0.00 -1.57 0.00 0.00 175.55 174.04 3hx6 s ALA 861 N -3.83 0.34 -0.04 3.71 0.00 -0.75 -0.02 121.76 121.17 3hx6 s ALA 861 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.09 3hx6 s ALA 861 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3hx6 s ALA 861 CO 0.03 0.08 -0.20 0.71 0.00 0.00 0.00 175.76 176.38 3hx6 s TYR 862 N -0.06 1.92 -0.24 0.00 1.51 0.23 -0.29 117.35 120.42 3hx6 s TYR 862 Ca 0.01 -0.51 -0.21 0.00 -1.01 0.00 0.00 57.07 55.35 3hx6 s TYR 862 Cb -0.02 -1.27 0.06 0.00 -0.11 0.00 0.00 41.96 40.62 3hx6 s TYR 862 CO -0.00 -0.15 0.63 0.00 -1.11 0.00 0.00 175.55 174.92 3hx6 s ALA 863 N -0.13 -1.56 0.62 3.71 0.00 -0.10 0.42 121.76 124.70 3hx6 s ALA 863 Ca -0.01 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3hx6 s ALA 863 Cb -0.11 -1.07 0.07 0.00 0.00 0.00 0.00 23.12 22.01 3hx6 s ALA 863 CO 0.02 -0.30 0.86 0.20 0.00 0.00 0.00 175.76 176.54 3hx6 s GLY 864 N 0.51 1.79 0.34 0.00 0.00 -1.26 0.19 107.32 108.89 3hx6 s GLY 864 Ca -0.01 -1.44 0.04 0.00 0.00 0.00 0.00 44.72 43.31 3hx6 s GLY 864 CO -0.02 -1.05 0.19 0.51 0.00 0.00 0.00 173.10 172.73 3hx6 s ASP 865 N -4.53 1.90 0.63 1.64 3.84 -0.55 -0.77 116.67 118.84 3hx6 s ASP 865 Ca 0.60 -1.65 0.40 0.00 -0.00 0.00 0.00 52.55 51.91 3hx6 s ASP 865 Cb -0.09 0.47 2.13 0.00 -1.38 0.00 0.00 42.92 44.06 3hx6 s ASP 865 CO 0.41 -0.95 2.27 -0.07 -0.00 0.00 0.00 175.17 176.83 3hx6 h LEU 866 N 2.08 0.00 -0.33 2.11 3.38 -1.30 -1.23 115.31 120.02 3hx6 h LEU 866 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3hx6 h LEU 866 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hx6 h LEU 866 CO 0.49 0.01 -0.14 0.00 0.09 0.00 0.00 178.44 178.88 3hx6 n GLN 867 N -3.18 0.77 -0.51 1.13 6.02 -1.26 -3.92 117.38 116.43 3hx6 n GLN 867 Ca -0.02 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 3hx6 n GLN 867 Cb 0.13 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3hx6 n GLN 867 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hx6 n GLY 868 N 1.29 0.75 3.75 1.08 0.00 -0.57 -4.42 105.19 107.07 3hx6 n GLY 868 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3hx6 n GLY 868 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hx6 s ASN 869 N -2.26 7.22 -0.42 1.61 0.01 -1.26 0.17 114.94 120.01 3hx6 s ASN 869 Ca 0.00 1.45 -0.12 0.00 -0.71 0.00 0.00 52.86 53.48 3hx6 s ASN 869 Cb 0.00 -2.46 0.06 0.00 0.41 0.00 0.00 41.25 39.26 3hx6 s ASN 869 CO 0.00 0.07 0.29 -0.22 -1.51 0.00 0.00 177.10 175.72 3hx6 s LEU 870 N -0.30 5.16 0.16 0.60 1.98 0.85 -1.48 118.68 125.65 3hx6 s LEU 870 Ca 0.37 -1.27 -0.04 0.00 -2.89 0.00 0.00 54.13 50.30 3hx6 s LEU 870 Cb -0.21 -2.06 -0.05 0.00 0.66 0.00 0.00 46.19 44.53 3hx6 s LEU 870 CO 0.23 -0.52 0.39 0.26 -1.89 0.00 0.00 176.35 174.81 3hx6 s TRP 871 N 1.54 3.48 0.07 5.38 0.52 0.13 -0.45 118.94 129.60 3hx6 s TRP 871 Ca 0.03 0.52 0.08 0.00 0.02 0.00 0.00 56.10 56.75 3hx6 s TRP 871 Cb -0.22 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 3hx6 s TRP 871 CO 0.05 0.41 -0.23 0.50 0.02 0.00 0.00 176.95 177.71 3hx6 s ARG 872 N -2.82 1.41 -0.03 4.98 3.52 -1.26 -0.92 118.95 123.83 3hx6 s ARG 872 Ca 0.41 -1.08 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 3hx6 s ARG 872 Cb -0.12 -1.62 -0.00 0.00 -1.56 0.00 0.00 34.95 31.64 3hx6 s ARG 872 CO 0.26 0.40 -0.14 -0.06 -0.81 0.00 0.00 175.30 174.95 3hx6 s PHE 873 N -0.92 1.41 -0.28 5.12 0.08 0.60 -0.21 117.98 123.78 3hx6 s PHE 873 Ca 0.09 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.56 3hx6 s PHE 873 Cb -0.09 -0.96 -0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3hx6 s PHE 873 CO 0.03 -0.12 0.68 -0.51 -0.10 0.00 0.00 175.22 175.21 3hx6 s ASP 874 N 0.01 6.59 -0.56 1.36 -0.00 0.14 -1.80 116.67 122.41 3hx6 s ASP 874 Ca -0.02 0.63 0.01 0.00 -0.00 0.00 0.00 52.55 53.18 3hx6 s ASP 874 Cb -0.10 -2.36 0.44 0.00 -0.00 0.00 0.00 42.92 40.90 3hx6 s ASP 874 CO 0.01 -0.48 1.70 0.18 -0.00 0.00 0.00 175.17 176.58 3hx6 n LEU 875 N 5.91 6.57 -4.24 1.23 4.77 0.27 -1.82 117.00 129.69 3hx6 n LEU 875 Ca 0.01 -4.59 -0.13 0.00 -0.03 0.00 0.00 56.01 51.27 3hx6 n LEU 875 Cb 0.49 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 3hx6 n LEU 875 CO 0.46 1.77 -0.33 0.27 -1.33 0.00 0.00 177.39 178.24 3hx6 s ILE 876 N -4.85 0.66 0.86 -0.08 -4.36 -1.25 -4.38 121.20 107.79 3hx6 s ILE 876 Ca 0.57 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.88 3hx6 s ILE 876 Cb 0.46 -2.14 0.11 0.00 1.25 0.00 0.00 42.46 42.15 3hx6 s ILE 876 CO -0.07 -0.46 1.14 0.00 0.24 0.00 0.00 174.94 175.80 3hx6 s ALA 877 N -3.67 1.73 0.08 2.27 0.00 -1.26 -4.30 121.76 116.61 3hx6 s ALA 877 Ca 0.24 0.57 -0.35 0.00 0.00 0.00 0.00 51.96 52.42 3hx6 s ALA 877 Cb 0.06 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.59 3hx6 s ALA 877 CO 0.04 -2.42 1.59 0.78 0.00 0.00 0.00 175.76 175.74 3hx6 h GLY 878 N -1.49 -1.17 -0.26 0.00 0.00 -1.92 -3.42 103.07 94.81 3hx6 h GLY 878 Ca -0.44 0.50 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 3hx6 h GLY 878 CO 0.45 -0.40 -0.01 0.28 0.00 0.00 0.00 176.54 176.86 3hx6 n LYS 879 N -5.57 -2.20 -3.48 4.80 4.01 -1.26 -5.01 118.16 109.45 3hx6 n LYS 879 Ca -0.13 -0.45 -0.11 0.00 -0.51 0.00 0.00 58.31 57.10 3hx6 n LYS 879 Cb 0.45 -0.50 -0.02 0.00 -0.51 0.00 0.00 35.03 34.46 3hx6 n LYS 879 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3hx6 n VAL 880 N -3.48 0.00 -0.28 -0.18 0.24 -1.26 -5.03 118.33 108.34 3hx6 n VAL 880 Ca 0.04 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 3hx6 n VAL 880 Cb 0.17 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 3hx6 n VAL 880 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3hx6 n ASN 881 N -1.68 1.39 0.00 -1.34 5.15 -1.26 -5.03 115.26 112.49 3hx6 n ASN 881 Ca -0.01 -1.67 0.00 0.00 -0.60 0.00 0.00 54.58 52.31 3hx6 n ASN 881 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 3hx6 n ASN 881 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hx6 n GLN 882 N -0.33 0.00 -0.21 1.20 6.02 -1.26 -3.34 117.38 119.46 3hx6 n GLN 882 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 3hx6 n GLN 882 Cb 0.30 0.00 0.30 0.00 1.02 0.00 0.00 30.24 31.87 3hx6 n GLN 882 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3hx6 h ASP 883 N 0.00 0.76 -1.34 1.08 3.32 -1.98 -3.32 116.42 114.94 3hx6 h ASP 883 Ca 0.00 -0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 3hx6 h ASP 883 Cb 0.00 -0.17 -0.27 0.00 0.22 0.00 0.00 39.33 39.11 3hx6 h ASP 883 CO 0.00 0.51 -0.78 -0.90 -1.72 0.00 0.00 179.24 176.36 3hx6 n ASP 884 N -4.46 -1.61 0.15 6.45 5.75 -1.21 -5.00 116.55 116.61 3hx6 n ASP 884 Ca 0.10 -2.83 0.07 0.00 -0.01 0.00 0.00 54.79 52.12 3hx6 n ASP 884 Cb 0.15 0.57 0.37 0.00 -1.03 0.00 0.00 41.12 41.18 3hx6 n ASP 884 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3hx6 n PRO 885 N 2.16 0.09 -0.73 0.11 -0.04 -1.25 -0.70 135.00 134.64 3hx6 n PRO 885 Ca 0.19 0.56 0.08 0.00 -0.04 0.00 0.00 63.50 64.29 3hx6 n PRO 885 Cb 0.55 -2.02 0.36 0.00 -0.04 0.00 0.00 33.50 32.35 3hx6 n PRO 885 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hx6 n PHE 886 N -2.02 1.69 -1.72 0.54 0.99 -1.26 -4.67 117.46 111.02 3hx6 n PHE 886 Ca -0.01 -0.71 -0.38 0.00 -0.00 0.00 0.00 57.45 56.35 3hx6 n PHE 886 Cb 0.25 -0.39 0.05 0.00 -1.00 0.00 0.00 39.48 38.39 3hx6 n PHE 886 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3hx6 n SER 887 N 0.59 2.27 -0.10 4.37 2.88 0.12 -4.92 113.62 118.83 3hx6 n SER 887 Ca 0.26 0.92 0.11 0.00 -1.33 0.00 0.00 58.87 58.83 3hx6 n SER 887 Cb 1.04 -1.55 0.07 0.00 -0.75 0.00 0.00 64.21 63.03 3hx6 n SER 887 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hx6 n ARG 888 N -1.25 0.27 -0.32 -1.46 1.74 -1.26 -4.57 116.66 109.81 3hx6 n ARG 888 Ca 0.12 -0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.14 3hx6 n ARG 888 Cb 0.46 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.67 3hx6 n ARG 888 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hx6 n ALA 889 N -1.19 0.46 -0.76 7.54 0.00 -1.26 0.22 120.51 125.52 3hx6 n ALA 889 Ca 0.06 1.00 0.08 0.00 0.00 0.00 0.00 53.44 54.58 3hx6 n ALA 889 Cb 0.35 -0.72 0.39 0.00 0.00 0.00 0.00 19.45 19.47 3hx6 n ALA 889 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hx6 n ASN 890 N -5.38 5.30 -4.75 0.00 3.02 -1.26 -4.99 115.26 107.19 3hx6 n ASN 890 Ca 0.22 -2.69 -0.42 0.00 -0.03 0.00 0.00 54.58 51.65 3hx6 n ASN 890 Cb 0.71 -0.64 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3hx6 n ASN 890 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hx6 n ASP 891 N 0.89 3.47 0.00 6.41 9.92 0.13 -4.80 116.55 132.58 3hx6 n ASP 891 Ca 0.27 1.22 0.00 0.00 -0.53 0.00 0.00 54.79 55.75 3hx6 n ASP 891 Cb 1.06 -1.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 3hx6 n ASP 891 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hx6 n GLY 892 N 0.69 0.93 0.40 0.44 0.00 -0.88 -4.79 105.19 101.98 3hx6 n GLY 892 Ca 0.03 -0.93 0.22 0.00 0.00 0.00 0.00 46.02 45.34 3hx6 n GLY 892 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx6 h PRO 893 N 0.00 0.03 -0.26 1.61 0.13 -1.84 -1.81 132.00 129.85 3hx6 h PRO 893 Ca 0.00 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 3hx6 h PRO 893 Cb 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3hx6 h PRO 893 CO 0.00 0.02 -0.07 0.00 -0.23 0.00 0.00 178.00 177.72 3hx6 h ALA 894 N 1.69 1.39 -0.14 -0.56 0.00 -1.93 -2.71 119.26 117.00 3hx6 h ALA 894 Ca 0.30 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hx6 h ALA 894 Cb 1.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hx6 h ALA 894 CO -0.01 0.42 0.15 0.28 0.00 0.00 0.00 179.25 180.09 3hx6 h VAL 895 N 0.40 0.52 -1.00 0.00 2.07 -1.61 -2.30 116.25 114.33 3hx6 h VAL 895 Ca 0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.70 3hx6 h VAL 895 Cb 0.37 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 3hx6 h VAL 895 CO 0.02 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.25 3hx6 h ALA 896 N 1.83 1.48 0.00 1.67 0.00 -1.64 0.83 119.26 123.43 3hx6 h ALA 896 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hx6 h ALA 896 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hx6 h ALA 896 CO -0.00 0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.23 3hx6 h SER 897 N 1.07 0.00 1.39 0.00 4.64 -1.61 -2.27 113.55 116.77 3hx6 h SER 897 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3hx6 h SER 897 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hx6 h SER 897 CO -0.22 0.00 -0.43 0.28 -0.87 0.00 0.00 176.83 175.59 3hx6 h SER 898 N 0.00 0.00 -3.43 4.97 0.02 -0.96 -3.46 113.55 110.69 3hx6 h SER 898 Ca 0.00 -0.04 -0.57 0.00 -0.84 0.00 0.00 61.79 60.33 3hx6 h SER 898 Cb 0.38 0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.06 3hx6 h SER 898 CO 0.00 0.02 0.24 0.49 -1.14 0.00 0.00 176.83 176.45 3hx6 n PHE 899 N -2.64 1.31 -3.48 3.45 0.99 -0.85 -4.53 117.46 111.70 3hx6 n PHE 899 Ca 0.03 0.49 -0.10 0.00 -0.00 0.00 0.00 57.45 57.86 3hx6 n PHE 899 Cb 0.50 -2.23 -0.02 0.00 -1.00 0.00 0.00 39.48 36.73 3hx6 n PHE 899 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3hx6 s ARG 900 N -2.40 1.13 0.24 -1.08 1.70 -0.76 -5.00 118.95 112.78 3hx6 s ARG 900 Ca 0.68 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 55.21 3hx6 s ARG 900 Cb -0.48 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.32 3hx6 s ARG 900 CO 0.53 -0.50 1.25 0.08 -1.08 0.00 0.00 175.30 175.58 3hx6 s VAL 901 N -3.51 3.22 1.00 4.99 1.01 -1.26 0.28 120.40 126.12 3hx6 s VAL 901 Ca 0.03 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.97 3hx6 s VAL 901 Cb -0.01 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.86 3hx6 s VAL 901 CO -0.10 0.21 1.13 -0.44 0.00 0.00 0.00 175.10 175.90 3hx6 s SER 902 N -0.13 2.67 -1.30 3.32 0.01 0.71 -3.99 113.70 114.99 3hx6 s SER 902 Ca 0.52 0.90 -0.04 0.00 1.31 0.00 0.00 55.95 58.64 3hx6 s SER 902 Cb -0.36 -1.39 0.02 0.00 0.21 0.00 0.00 66.02 64.50 3hx6 s SER 902 CO 0.42 -3.07 0.27 0.49 0.41 0.00 0.00 173.24 171.76 3hx6 n PHE 903 N -4.09 -1.60 -1.23 2.43 0.99 -0.95 -1.14 117.46 111.87 3hx6 n PHE 903 Ca 0.08 0.25 -0.08 0.00 -0.00 0.00 0.00 57.45 57.70 3hx6 n PHE 903 Cb 0.59 -3.30 -0.03 0.00 -1.00 0.00 0.00 39.48 35.73 3hx6 n PHE 903 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hx6 n GLY 904 N -1.08 0.88 0.00 1.37 0.00 -1.00 -1.90 105.19 103.45 3hx6 n GLY 904 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3hx6 n GLY 904 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 905 N -0.62 0.59 3.80 -0.02 0.00 -0.29 -5.07 105.19 103.58 3hx6 n GLY 905 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3hx6 n GLY 905 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hx6 s GLN 906 N -0.77 4.23 0.53 1.61 0.74 -0.80 -4.75 119.66 120.44 3hx6 s GLN 906 Ca 0.00 0.74 -0.17 0.00 0.05 0.00 0.00 55.36 55.98 3hx6 s GLN 906 Cb 0.00 -3.26 -0.07 0.00 1.10 0.00 0.00 33.01 30.78 3hx6 s GLN 906 CO 0.00 0.59 1.01 -1.25 -0.55 0.00 0.00 175.29 175.10 3hx6 s PRO 907 N -0.95 3.75 0.41 1.67 0.04 -1.26 -4.54 135.00 134.11 3hx6 s PRO 907 Ca 0.29 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.53 3hx6 s PRO 907 Cb -0.19 -2.10 0.85 0.00 0.04 0.00 0.00 34.50 33.10 3hx6 s PRO 907 CO 0.19 -0.45 2.03 1.25 0.04 0.00 0.00 177.00 180.06 3hx6 h LEU 908 N 0.98 0.41 -7.00 -3.56 5.85 -1.10 -3.45 115.31 107.44 3hx6 h LEU 908 Ca -0.47 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.24 3hx6 h LEU 908 Cb 1.20 -0.10 -0.15 0.00 0.37 0.00 0.00 40.66 41.97 3hx6 h LEU 908 CO 0.60 0.35 0.33 -0.47 -0.34 0.00 0.00 178.44 178.90 3hx6 s TYR 909 N -5.32 -0.49 -0.20 1.25 6.14 -1.20 -4.70 117.35 112.83 3hx6 s TYR 909 Ca -0.08 0.48 -0.01 0.00 0.64 0.00 0.00 57.07 58.11 3hx6 s TYR 909 Cb 0.17 0.51 0.05 0.00 0.42 0.00 0.00 41.96 43.12 3hx6 s TYR 909 CO 0.73 -0.66 -0.02 -1.12 0.64 0.00 0.00 175.55 175.12 3hx6 s SER 910 N -2.19 3.21 -0.12 4.32 0.01 -1.26 -0.10 113.70 117.56 3hx6 s SER 910 Ca -0.00 -0.90 -0.30 0.00 1.31 0.00 0.00 55.95 56.07 3hx6 s SER 910 Cb -0.01 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.32 3hx6 s SER 910 CO -0.06 -0.25 1.07 0.00 0.41 0.00 0.00 173.24 174.41 3hx6 s ALA 911 N 1.63 3.48 0.03 1.44 0.00 0.13 -4.97 121.76 123.50 3hx6 s ALA 911 Ca -0.02 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.36 3hx6 s ALA 911 Cb -0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3hx6 s ALA 911 CO -0.07 -0.74 -0.08 0.14 0.00 0.00 0.00 175.76 175.02 3hx6 s VAL 912 N 2.31 0.54 0.06 0.00 -7.23 -1.26 -0.68 120.40 114.13 3hx6 s VAL 912 Ca 0.50 -0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 59.75 3hx6 s VAL 912 Cb -0.19 -0.57 0.01 0.00 0.56 0.00 0.00 36.38 36.19 3hx6 s VAL 912 CO 0.17 -0.27 0.05 -0.90 -0.31 0.00 0.00 175.10 173.84 3hx6 n ASP 913 N 1.77 -0.88 -0.23 4.85 5.68 0.13 -4.79 116.55 123.08 3hx6 n ASP 913 Ca -0.21 -0.61 0.03 0.00 -0.50 0.00 0.00 54.79 53.50 3hx6 n ASP 913 Cb 0.55 -0.05 0.27 0.00 -1.14 0.00 0.00 41.12 40.76 3hx6 n ASP 913 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3hx6 h SER 914 N -0.92 0.83 0.95 -1.12 0.02 -1.89 -1.83 113.55 109.58 3hx6 h SER 914 Ca -0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3hx6 h SER 914 Cb 0.06 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3hx6 h SER 914 CO 0.01 0.57 -0.10 0.00 -1.14 0.00 0.00 176.83 176.17 3hx6 n ALA 915 N -2.42 2.54 0.00 3.77 0.00 -1.26 -4.92 120.51 118.22 3hx6 n ALA 915 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hx6 n ALA 915 Cb 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3hx6 n ALA 915 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hx6 n GLY 916 N 1.48 0.85 3.76 0.00 0.00 -0.69 -5.08 105.19 105.52 3hx6 n GLY 916 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3hx6 n GLY 916 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx6 s ALA 917 N -2.00 3.42 0.37 4.61 0.00 -1.26 -4.70 121.76 122.20 3hx6 s ALA 917 Ca 0.00 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 3hx6 s ALA 917 Cb 0.00 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 20.05 3hx6 s ALA 917 CO 0.00 0.19 1.29 0.00 0.00 0.00 0.00 175.76 177.24 3hx6 n ALA 918 N 2.21 1.33 -3.92 0.00 0.00 -1.26 0.22 120.51 119.08 3hx6 n ALA 918 Ca -0.04 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 3hx6 n ALA 918 Cb 0.50 -2.26 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 3hx6 n ALA 918 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hx6 s GLN 919 N -1.98 2.76 0.55 0.00 -0.21 0.14 -4.77 119.66 116.14 3hx6 s GLN 919 Ca 0.57 -1.01 -0.21 0.00 0.02 0.00 0.00 55.36 54.73 3hx6 s GLN 919 Cb -0.55 -2.84 -0.05 0.00 1.00 0.00 0.00 33.01 30.58 3hx6 s GLN 919 CO 0.61 -0.38 1.32 0.00 -2.12 0.00 0.00 175.29 174.72 3hx6 s ALA 920 N 1.27 2.78 -0.16 6.09 0.00 -1.25 -3.25 121.76 127.23 3hx6 s ALA 920 Ca -0.00 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.22 3hx6 s ALA 920 Cb -0.16 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.43 3hx6 s ALA 920 CO -0.07 -1.29 -0.18 0.42 0.00 0.00 0.00 175.76 174.63 3hx6 s ILE 921 N -1.36 2.32 -0.16 0.00 1.01 -0.60 0.34 121.20 122.76 3hx6 s ILE 921 Ca 0.72 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 3hx6 s ILE 921 Cb -0.38 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.05 3hx6 s ILE 921 CO 0.44 0.53 -0.19 0.41 0.00 0.00 0.00 174.94 176.13 3hx6 n THR 922 N 4.30 0.86 -2.09 2.92 -1.04 -1.14 -3.95 114.28 114.14 3hx6 n THR 922 Ca -0.20 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.05 61.24 3hx6 n THR 922 Cb 0.51 -1.59 0.01 0.00 -1.82 0.00 0.00 70.33 67.44 3hx6 n THR 922 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hx6 s ALA 923 N -2.29 2.70 0.55 2.41 0.00 -1.25 -3.44 121.76 120.44 3hx6 s ALA 923 Ca -0.22 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 3hx6 s ALA 923 Cb 0.08 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 3hx6 s ALA 923 CO 0.29 -0.82 1.11 0.00 0.00 0.00 0.00 175.76 176.33 3hx6 s ALA 924 N -2.29 2.70 0.83 0.00 0.00 -1.25 -4.70 121.76 117.05 3hx6 s ALA 924 Ca 0.66 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 3hx6 s ALA 924 Cb -0.18 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.71 3hx6 s ALA 924 CO 0.34 -0.76 1.14 -2.14 0.00 0.00 0.00 175.76 174.35 3hx6 s PRO 925 N -3.44 1.80 0.06 0.00 0.02 -1.26 -4.47 135.00 127.72 3hx6 s PRO 925 Ca 0.70 0.29 0.06 0.00 0.02 0.00 0.00 61.00 62.07 3hx6 s PRO 925 Cb -0.22 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3hx6 s PRO 925 CO 0.28 -1.74 -0.15 -1.12 -0.33 0.00 0.00 177.00 173.93 3hx6 s SER 926 N -4.26 1.82 -0.05 2.53 0.01 0.94 -4.67 113.70 110.03 3hx6 s SER 926 Ca 0.62 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 57.37 3hx6 s SER 926 Cb -0.13 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 3hx6 s SER 926 CO 0.52 -0.01 -0.24 -0.76 0.41 0.00 0.00 173.24 173.15 3hx6 s LEU 927 N -1.55 2.04 -0.04 2.44 1.43 -1.26 -0.06 118.68 121.69 3hx6 s LEU 927 Ca 0.01 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3hx6 s LEU 927 Cb -0.09 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3hx6 s LEU 927 CO 0.02 0.25 -0.07 -0.69 0.23 0.00 0.00 176.35 176.09 3hx6 s VAL 928 N -0.24 0.67 0.26 -1.59 1.01 -0.71 -4.94 120.40 114.86 3hx6 s VAL 928 Ca -0.01 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 3hx6 s VAL 928 Cb -0.12 -0.64 -0.12 0.00 0.00 0.00 0.00 36.38 35.49 3hx6 s VAL 928 CO 0.02 0.24 1.61 -1.14 0.00 0.00 0.00 175.10 175.84 3hx6 n ARG 929 N 3.77 2.65 -1.82 2.72 0.63 -1.26 0.18 116.66 123.54 3hx6 n ARG 929 Ca -0.23 0.95 -0.38 0.00 -0.92 0.00 0.00 57.85 57.27 3hx6 n ARG 929 Cb 0.52 -2.74 0.04 0.00 0.45 0.00 0.00 32.46 30.74 3hx6 n ARG 929 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3hx6 s HIS 930 N 0.31 2.29 0.49 -0.14 5.65 -0.90 -4.73 115.29 118.27 3hx6 s HIS 930 Ca 0.68 1.41 0.24 0.00 0.25 0.00 0.00 55.06 57.63 3hx6 s HIS 930 Cb -0.52 -3.75 1.30 0.00 -1.18 0.00 0.00 32.58 28.44 3hx6 s HIS 930 CO 0.44 -2.80 1.92 -1.35 -0.65 0.00 0.00 174.74 172.30 3hx6 h PRO 931 N 1.32 0.15 -0.00 2.88 0.11 -1.91 0.18 132.00 134.73 3hx6 h PRO 931 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hx6 h PRO 931 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hx6 h PRO 931 CO 0.57 0.10 -0.03 0.25 -0.21 0.00 0.00 178.00 178.67 3hx6 n THR 932 N -4.39 0.00 -0.94 -1.15 -2.24 -1.26 -4.89 114.28 99.42 3hx6 n THR 932 Ca 0.15 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3hx6 n THR 932 Cb 0.73 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3hx6 n THR 932 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hx6 n ARG 933 N -1.24 -0.17 -3.63 -0.78 1.74 0.64 -4.99 116.66 108.22 3hx6 n ARG 933 Ca 0.14 0.04 -0.38 0.00 -0.77 0.00 0.00 57.85 56.87 3hx6 n ARG 933 Cb 0.26 -3.12 -0.11 0.00 -1.02 0.00 0.00 32.46 28.46 3hx6 n ARG 933 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hx6 s LYS 934 N -0.29 3.54 1.28 5.56 2.20 -1.26 -4.89 119.74 125.88 3hx6 s LYS 934 Ca 0.00 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 3hx6 s LYS 934 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3hx6 s LYS 934 CO 0.00 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 3hx6 n GLY 935 N 5.01 -1.73 3.09 5.54 0.00 -1.26 -4.55 105.19 111.30 3hx6 n GLY 935 Ca -0.14 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 3hx6 n GLY 935 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx6 s TYR 936 N -0.07 0.68 -0.28 1.61 1.51 0.28 -2.12 117.35 118.96 3hx6 s TYR 936 Ca 0.00 -0.73 -0.15 0.00 -1.01 0.00 0.00 57.07 55.18 3hx6 s TYR 936 Cb 0.00 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.40 3hx6 s TYR 936 CO 0.00 -0.16 0.39 0.42 -1.11 0.00 0.00 175.55 175.09 3hx6 s ILE 937 N -2.53 5.15 -0.32 2.71 1.01 0.13 0.25 121.20 127.59 3hx6 s ILE 937 Ca -0.01 0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.97 3hx6 s ILE 937 Cb -0.02 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 3hx6 s ILE 937 CO -0.03 0.09 0.52 -0.69 0.00 0.00 0.00 174.94 174.83 3hx6 s VAL 938 N 2.11 5.02 -0.18 2.92 1.01 0.21 -1.74 120.40 129.75 3hx6 s VAL 938 Ca 0.15 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 3hx6 s VAL 938 Cb -0.16 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3hx6 s VAL 938 CO 0.10 -0.13 0.05 -0.63 0.00 0.00 0.00 175.10 174.49 3hx6 s ILE 939 N 2.39 4.65 -0.04 2.22 1.01 0.92 -0.36 121.20 131.99 3hx6 s ILE 939 Ca 0.20 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 3hx6 s ILE 939 Cb -0.15 -3.09 0.04 0.00 0.01 0.00 0.00 42.46 39.26 3hx6 s ILE 939 CO 0.12 0.46 0.42 0.72 0.00 0.00 0.00 174.94 176.67 3hx6 s PHE 940 N 0.39 -0.34 0.27 3.97 -0.71 -0.36 -0.04 117.98 121.16 3hx6 s PHE 940 Ca 0.02 0.61 0.12 0.00 -1.04 0.00 0.00 56.93 56.64 3hx6 s PHE 940 Cb -0.13 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 3hx6 s PHE 940 CO 0.01 -0.43 -0.20 0.20 -1.34 0.00 0.00 175.22 173.46 3hx6 s GLY 941 N -1.08 1.85 0.24 1.99 0.00 -1.26 0.38 107.32 109.44 3hx6 s GLY 941 Ca -0.11 -1.85 0.07 0.00 0.00 0.00 0.00 44.72 42.82 3hx6 s GLY 941 CO 0.05 -1.94 0.19 -0.51 0.00 0.00 0.00 173.10 170.89 3hx6 s THR 942 N -2.49 4.47 0.00 0.90 -4.23 0.22 -4.37 115.64 110.13 3hx6 s THR 942 Ca 0.29 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 3hx6 s THR 942 Cb -0.05 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.40 3hx6 s THR 942 CO 0.14 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 3hx6 n GLY 943 N -1.04 3.63 3.38 3.99 0.00 0.15 -1.06 105.19 114.25 3hx6 n GLY 943 Ca -0.08 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 3hx6 n GLY 943 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hx6 s LYS 944 N -2.41 0.56 0.00 1.61 -2.85 -1.26 -2.91 119.74 112.48 3hx6 s LYS 944 Ca 0.00 0.69 0.00 0.00 -1.00 0.00 0.00 55.97 55.66 3hx6 s LYS 944 Cb 0.00 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 3hx6 s LYS 944 CO 0.00 -0.07 0.41 0.98 0.10 0.00 0.00 175.35 176.77 3hx6 n TYR 945 N 2.91 0.00 0.14 1.78 -0.00 -1.26 -4.89 117.16 115.84 3hx6 n TYR 945 Ca -0.14 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.78 3hx6 n TYR 945 Cb 0.57 0.03 0.09 0.00 -0.00 0.00 0.00 39.34 40.03 3hx6 n TYR 945 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 3hx6 h PHE 946 N 0.00 0.00 -3.29 2.98 -5.15 -1.97 -3.45 116.94 106.06 3hx6 h PHE 946 Ca 0.00 0.00 -0.51 0.00 -0.20 0.00 0.00 57.97 57.26 3hx6 h PHE 946 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.17 3hx6 h PHE 946 CO 0.00 0.56 -0.09 -1.21 -2.00 0.00 0.00 178.31 175.57 3hx6 s GLU 947 N -3.12 3.66 0.21 6.09 2.02 -1.26 -4.98 118.70 121.32 3hx6 s GLU 947 Ca 0.02 0.09 -0.09 0.00 0.02 0.00 0.00 54.97 55.01 3hx6 s GLU 947 Cb 0.09 -2.60 0.27 0.00 0.10 0.00 0.00 34.13 32.00 3hx6 s GLU 947 CO 0.74 0.16 1.76 -0.91 0.02 0.00 0.00 175.26 177.04 3hx6 h ASN 948 N 1.58 0.33 -0.70 -0.19 2.35 -2.01 -0.12 115.58 116.81 3hx6 h ASN 948 Ca -0.48 0.06 0.16 0.00 -0.55 0.00 0.00 56.30 55.50 3hx6 h ASN 948 Cb 1.19 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.53 3hx6 h ASN 948 CO 0.66 0.20 0.48 0.00 -1.65 0.00 0.00 177.43 177.12 3hx6 h ALA 949 N 1.40 2.30 0.00 -0.83 0.00 -1.96 0.11 119.26 120.27 3hx6 h ALA 949 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hx6 h ALA 949 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hx6 h ALA 949 CO -0.27 -0.50 0.00 -0.44 0.00 0.00 0.00 179.25 178.05 3hx6 h ASP 950 N 0.25 0.00 -0.04 0.00 3.32 -1.34 -2.52 116.42 116.09 3hx6 h ASP 950 Ca 0.34 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.41 3hx6 h ASP 950 Cb 0.99 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3hx6 h ASP 950 CO -0.08 0.00 0.03 0.00 -1.72 0.00 0.00 179.24 177.48 3hx6 h ALA 951 N 2.15 1.88 -2.67 3.45 0.00 -0.82 -3.41 119.26 119.85 3hx6 h ALA 951 Ca 0.00 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3hx6 h ALA 951 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3hx6 h ALA 951 CO 0.00 -0.06 -0.21 1.03 0.00 0.00 0.00 179.25 180.02 3hx6 s ARG 952 N -4.91 3.87 0.23 0.00 0.52 -0.95 -4.71 118.95 112.99 3hx6 s ARG 952 Ca -0.05 0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 55.20 3hx6 s ARG 952 Cb 0.16 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.41 3hx6 s ARG 952 CO 0.63 0.63 1.47 0.00 0.02 0.00 0.00 175.30 178.05 3hx6 s ALA 953 N -1.22 3.66 -0.52 2.13 0.00 -1.26 -4.97 121.76 119.58 3hx6 s ALA 953 Ca 0.28 1.33 -0.15 0.00 0.00 0.00 0.00 51.96 53.43 3hx6 s ALA 953 Cb -0.16 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.51 3hx6 s ALA 953 CO 0.15 -0.75 0.46 0.34 0.00 0.00 0.00 175.76 175.96 3hx6 s ASP 954 N 0.57 6.09 -0.27 0.00 2.15 -1.26 -4.91 116.67 119.04 3hx6 s ASP 954 Ca 0.62 -1.77 0.12 0.00 0.43 0.00 0.00 52.55 51.95 3hx6 s ASP 954 Cb -0.42 -2.17 0.77 0.00 -0.30 0.00 0.00 42.92 40.80 3hx6 s ASP 954 CO 0.40 -0.81 1.75 0.35 -0.17 0.00 0.00 175.17 176.69 3hx6 n THR 955 N 5.18 2.81 0.78 1.71 -2.24 -1.26 -3.76 114.28 117.51 3hx6 n THR 955 Ca -0.13 -1.56 0.12 0.00 -2.27 0.00 0.00 64.05 60.21 3hx6 n THR 955 Cb 0.40 -0.31 0.28 0.00 -2.10 0.00 0.00 70.33 68.61 3hx6 n THR 955 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hx6 n SER 956 N 0.20 0.54 -3.56 3.42 3.41 -1.26 -4.82 113.62 111.55 3hx6 n SER 956 Ca 0.33 0.09 -0.10 0.00 -0.26 0.00 0.00 58.87 58.93 3hx6 n SER 956 Cb 1.26 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 65.19 3hx6 n SER 956 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hx6 s ARG 957 N -3.08 1.38 0.09 4.33 1.04 -1.26 -5.10 118.95 116.36 3hx6 s ARG 957 Ca 0.09 -0.61 -0.07 0.00 -1.04 0.00 0.00 55.73 54.11 3hx6 s ARG 957 Cb 0.15 0.58 -0.05 0.00 -2.04 0.00 0.00 34.95 33.59 3hx6 s ARG 957 CO 0.67 -0.62 0.36 0.00 -0.04 0.00 0.00 175.30 175.68 3hx6 s ALA 958 N -3.74 3.79 0.51 7.88 0.00 -1.26 -4.63 121.76 124.31 3hx6 s ALA 958 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3hx6 s ALA 958 Cb -0.02 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.95 3hx6 s ALA 958 CO -0.07 0.63 0.76 -0.65 0.00 0.00 0.00 175.76 176.43 3hx6 s GLN 959 N -2.22 2.92 0.03 0.00 -1.52 -1.26 -4.80 119.66 112.82 3hx6 s GLN 959 Ca 0.35 -0.40 -0.02 0.00 -1.95 0.00 0.00 55.36 53.35 3hx6 s GLN 959 Cb -0.13 -2.46 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 3hx6 s GLN 959 CO 0.21 -0.48 0.01 0.99 -0.25 0.00 0.00 175.29 175.77 3hx6 s THR 960 N -2.72 0.15 -0.17 -0.19 2.01 -1.26 -0.02 115.64 113.43 3hx6 s THR 960 Ca 0.51 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 3hx6 s THR 960 Cb -0.10 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 3hx6 s THR 960 CO 0.40 -0.68 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.40 3hx6 s LEU 961 N -2.10 3.19 0.14 4.42 2.96 0.55 -0.61 118.68 127.23 3hx6 s LEU 961 Ca -0.06 -0.18 0.11 0.00 -0.22 0.00 0.00 54.13 53.78 3hx6 s LEU 961 Cb -0.02 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3hx6 s LEU 961 CO -0.05 0.13 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.55 3hx6 s TYR 962 N 0.62 2.36 -0.28 5.38 1.51 0.16 -0.19 117.35 126.91 3hx6 s TYR 962 Ca -0.02 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3hx6 s TYR 962 Cb -0.14 -1.25 0.09 0.00 -0.11 0.00 0.00 41.96 40.55 3hx6 s TYR 962 CO 0.02 0.38 0.07 0.20 -1.11 0.00 0.00 175.55 175.11 3hx6 s GLY 963 N -2.21 1.08 -0.13 0.71 0.00 -0.08 -1.23 107.32 105.47 3hx6 s GLY 963 Ca 0.16 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.35 3hx6 s GLY 963 CO 0.08 1.46 -0.05 -0.42 0.00 0.00 0.00 173.10 174.17 3hx6 s ILE 964 N 1.59 3.82 -0.33 0.90 -1.09 0.51 -0.91 121.20 125.69 3hx6 s ILE 964 Ca 0.06 -0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 57.79 3hx6 s ILE 964 Cb -0.17 -2.64 0.02 0.00 -1.58 0.00 0.00 42.46 38.08 3hx6 s ILE 964 CO -0.19 0.52 1.10 0.86 -1.23 0.00 0.00 174.94 176.00 3hx6 s TRP 965 N 0.08 3.08 -0.44 3.97 -0.00 0.65 0.65 118.94 126.92 3hx6 s TRP 965 Ca -0.01 1.13 -0.15 0.00 -0.00 0.00 0.00 56.10 57.07 3hx6 s TRP 965 Cb -0.14 -3.77 0.05 0.00 -0.00 0.00 0.00 33.47 29.61 3hx6 s TRP 965 CO 0.03 -0.89 0.34 0.34 -0.00 0.00 0.00 176.95 176.78 3hx6 s ASP 966 N 1.81 6.10 0.00 5.86 -1.08 0.14 -4.93 116.67 124.56 3hx6 s ASP 966 Ca 0.47 -1.15 0.27 0.00 -0.52 0.00 0.00 52.55 51.61 3hx6 s ASP 966 Cb -0.12 -2.16 0.94 0.00 -1.46 0.00 0.00 42.92 40.12 3hx6 s ASP 966 CO 0.17 -0.55 1.68 0.00 0.52 0.00 0.00 175.17 176.99 3hx6 n GLN 967 N 5.17 1.73 -3.10 4.34 6.02 -1.26 -0.55 117.38 129.73 3hx6 n GLN 967 Ca -0.12 -1.07 -0.29 0.00 -0.01 0.00 0.00 57.00 55.52 3hx6 n GLN 967 Cb 0.45 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 3hx6 n GLN 967 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hx6 n GLN 968 N 0.30 3.20 -0.40 -1.09 6.02 -1.26 -4.43 117.38 119.71 3hx6 n GLN 968 Ca 0.18 -4.77 0.08 0.00 -0.01 0.00 0.00 57.00 52.47 3hx6 n GLN 968 Cb 0.37 -2.28 0.23 0.00 1.02 0.00 0.00 30.24 29.58 3hx6 n GLN 968 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hx6 n THR 969 N 0.23 2.23 -1.47 5.09 -2.24 -1.26 -4.58 114.28 112.28 3hx6 n THR 969 Ca 0.31 -2.08 -0.06 0.00 -2.27 0.00 0.00 64.05 59.96 3hx6 n THR 969 Cb 0.39 -0.26 0.19 0.00 -2.10 0.00 0.00 70.33 68.55 3hx6 n THR 969 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3hx6 n LYS 970 N -0.79 1.88 -1.00 -0.78 4.81 -1.26 -4.92 118.16 116.10 3hx6 n LYS 970 Ca 0.21 -3.21 0.00 0.00 -0.87 0.00 0.00 58.31 54.44 3hx6 n LYS 970 Cb 0.85 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 34.05 3hx6 n LYS 970 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hx6 n GLY 971 N -1.12 0.52 3.71 3.14 0.00 -1.26 -4.71 105.19 105.46 3hx6 n GLY 971 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 3hx6 n GLY 971 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hx6 s GLU 972 N -0.00 1.69 0.32 1.61 8.01 -1.26 -4.88 118.70 124.18 3hx6 s GLU 972 Ca 0.00 1.61 0.05 0.00 0.01 0.00 0.00 54.97 56.64 3hx6 s GLU 972 Cb 0.00 -1.80 0.67 0.00 -4.31 0.00 0.00 34.13 28.70 3hx6 s GLU 972 CO 0.00 -2.14 1.86 0.00 0.01 0.00 0.00 175.26 174.98 3hx6 h ALA 973 N -1.03 1.66 -6.46 5.21 0.00 -1.95 -3.46 119.26 113.22 3hx6 h ALA 973 Ca -0.45 0.02 -0.48 0.00 0.00 0.00 0.00 54.91 53.99 3hx6 h ALA 973 Cb 1.28 -0.18 0.05 0.00 0.00 0.00 0.00 17.79 18.94 3hx6 h ALA 973 CO 0.46 0.11 -0.95 0.00 0.00 0.00 0.00 179.25 178.87 3hx6 n ALA 974 N -2.39 -2.59 0.31 0.00 0.00 -1.26 -4.74 120.51 109.85 3hx6 n ALA 974 Ca 0.18 -0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.40 3hx6 n ALA 974 Cb 0.39 -3.46 0.58 0.00 0.00 0.00 0.00 19.45 16.96 3hx6 n ALA 974 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hx6 h GLY 975 N -2.02 0.00 -0.96 0.00 0.00 -1.89 -2.52 103.07 95.68 3hx6 h GLY 975 Ca -0.67 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 3hx6 h GLY 975 CO 0.48 0.00 0.13 -1.14 0.00 0.00 0.00 176.54 176.01 3hx6 n SER 976 N -2.38 -1.72 -3.65 0.19 3.41 -1.26 -2.38 113.62 105.83 3hx6 n SER 976 Ca 0.01 -2.43 -0.15 0.00 -0.26 0.00 0.00 58.87 56.03 3hx6 n SER 976 Cb 0.17 2.93 -0.07 0.00 -0.26 0.00 0.00 64.21 66.98 3hx6 n SER 976 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hx6 s THR 977 N -2.39 0.03 0.34 6.66 -1.32 -1.26 -4.72 115.64 112.97 3hx6 s THR 977 Ca 0.17 -0.26 -0.28 0.00 -1.21 0.00 0.00 61.69 60.11 3hx6 s THR 977 Cb -0.03 -0.80 -0.12 0.00 -1.51 0.00 0.00 72.50 70.03 3hx6 s THR 977 CO 0.12 -0.14 1.22 -2.65 -2.21 0.00 0.00 174.62 170.95 3hx6 n PRO 978 N 1.07 1.91 -3.24 7.08 -0.02 -1.26 -4.93 135.00 135.60 3hx6 n PRO 978 Ca -0.20 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 3hx6 n PRO 978 Cb 0.57 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 3hx6 n PRO 978 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hx6 s ARG 979 N -1.83 3.67 0.27 -0.52 3.52 -1.26 -4.89 118.95 117.91 3hx6 s ARG 979 Ca 0.57 -0.11 0.09 0.00 -0.13 0.00 0.00 55.73 56.15 3hx6 s ARG 979 Cb -0.59 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 28.96 3hx6 s ARG 979 CO 0.61 -0.61 0.02 -0.51 -0.81 0.00 0.00 175.30 174.00 3hx6 s LEU 980 N 2.38 3.23 0.21 -0.88 2.01 -1.26 -5.09 118.68 119.28 3hx6 s LEU 980 Ca 0.19 -0.64 -0.00 0.00 0.01 0.00 0.00 54.13 53.68 3hx6 s LEU 980 Cb -0.15 -1.74 -0.04 0.00 0.01 0.00 0.00 46.19 44.26 3hx6 s LEU 980 CO 0.13 -0.03 0.12 -0.89 1.01 0.00 0.00 176.35 176.69 3hx6 s THR 981 N -2.33 0.16 0.56 5.49 2.01 -1.26 -4.70 115.64 115.56 3hx6 s THR 981 Ca 0.32 -2.00 0.28 0.00 0.31 0.00 0.00 61.69 60.60 3hx6 s THR 981 Cb -0.06 -2.52 0.41 0.00 0.01 0.00 0.00 72.50 70.34 3hx6 s THR 981 CO 0.20 -0.02 1.95 0.03 -0.69 0.00 0.00 174.62 176.09 3hx6 h ARG 982 N 2.57 0.00 0.00 4.92 3.08 -1.94 -0.24 114.38 122.76 3hx6 h ARG 982 Ca -0.37 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 3hx6 h ARG 982 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hx6 h ARG 982 CO 0.55 0.00 -0.05 0.78 -1.07 0.00 0.00 179.97 180.19 3hx6 h GLY 983 N 0.00 0.00 -0.78 0.04 0.00 -2.03 -0.61 103.07 99.69 3hx6 h GLY 983 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hx6 h GLY 983 CO -0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3hx6 n ASN 984 N -3.96 1.70 -4.53 0.19 4.13 -0.10 -4.91 115.26 107.78 3hx6 n ASN 984 Ca -0.03 -1.66 -0.24 0.00 1.68 0.00 0.00 54.58 54.33 3hx6 n ASN 984 Cb 0.13 -0.08 -0.09 0.00 -1.54 0.00 0.00 39.78 38.20 3hx6 n ASN 984 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hx6 s LEU 985 N -1.71 2.80 -0.25 3.41 1.43 -0.24 -0.38 118.68 123.75 3hx6 s LEU 985 Ca 0.34 -0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 3hx6 s LEU 985 Cb 0.19 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.02 3hx6 s LEU 985 CO 0.29 0.05 0.55 -1.58 0.23 0.00 0.00 176.35 175.88 3hx6 s GLN 986 N -3.38 4.10 0.39 1.70 2.00 0.48 -4.88 119.66 120.08 3hx6 s GLN 986 Ca 0.29 0.41 -0.24 0.00 -2.00 0.00 0.00 55.36 53.81 3hx6 s GLN 986 Cb -0.06 -3.64 -0.09 0.00 0.80 0.00 0.00 33.01 30.02 3hx6 s GLN 986 CO 0.16 -0.33 1.06 -1.14 -0.50 0.00 0.00 175.29 174.53 3hx6 s GLN 987 N 2.25 4.17 0.11 1.67 0.74 -1.26 -2.22 119.66 125.12 3hx6 s GLN 987 Ca 0.23 1.53 0.04 0.00 0.05 0.00 0.00 55.36 57.22 3hx6 s GLN 987 Cb -0.16 -2.57 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 3hx6 s GLN 987 CO 0.09 -0.14 -0.11 -0.65 -0.55 0.00 0.00 175.29 173.94 3hx6 s GLN 988 N -2.45 0.93 0.05 1.67 -1.52 -0.46 -4.78 119.66 113.09 3hx6 s GLN 988 Ca 0.57 -1.25 -0.00 0.00 -1.95 0.00 0.00 55.36 52.73 3hx6 s GLN 988 Cb -0.23 -0.61 -0.03 0.00 -0.22 0.00 0.00 33.01 31.92 3hx6 s GLN 988 CO 0.28 0.09 -0.04 0.95 -0.25 0.00 0.00 175.29 176.33 3hx6 s THR 989 N -2.63 0.30 -0.43 -0.19 -4.23 -1.26 -4.25 115.64 102.95 3hx6 s THR 989 Ca 0.09 -1.58 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 3hx6 s THR 989 Cb -0.02 -1.20 0.02 0.00 1.34 0.00 0.00 72.50 72.65 3hx6 s THR 989 CO 0.01 -0.82 0.54 -0.76 -0.54 0.00 0.00 174.62 173.05 3hx6 s LEU 990 N -2.51 4.66 0.02 4.79 1.43 -1.25 -0.80 118.68 125.02 3hx6 s LEU 990 Ca 0.01 -0.48 0.23 0.00 -1.03 0.00 0.00 54.13 52.86 3hx6 s LEU 990 Cb 0.02 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3hx6 s LEU 990 CO -0.06 -0.67 1.02 0.47 0.23 0.00 0.00 176.35 177.33 3hx6 n ASP 991 N 5.94 0.67 -3.63 2.29 8.00 -0.07 -1.07 116.55 128.66 3hx6 n ASP 991 Ca -0.04 -0.44 -0.13 0.00 0.71 0.00 0.00 54.79 54.89 3hx6 n ASP 991 Cb 0.48 0.85 -0.07 0.00 -0.02 0.00 0.00 41.12 42.36 3hx6 n ASP 991 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hx6 s LEU 992 N -3.54 -0.77 -0.08 0.64 1.98 -1.14 -4.75 118.68 111.03 3hx6 s LEU 992 Ca 0.05 1.45 0.04 0.00 -2.89 0.00 0.00 54.13 52.79 3hx6 s LEU 992 Cb 0.15 2.44 0.00 0.00 0.66 0.00 0.00 46.19 49.44 3hx6 s LEU 992 CO 0.81 -0.25 -0.19 -1.58 -1.89 0.00 0.00 176.35 173.25 3hx6 s GLN 993 N 0.64 2.38 0.17 1.98 0.74 -1.26 -0.49 119.66 123.82 3hx6 s GLN 993 Ca -0.02 -0.70 -0.16 0.00 0.05 0.00 0.00 55.36 54.53 3hx6 s GLN 993 Cb -0.05 -1.89 0.03 0.00 1.10 0.00 0.00 33.01 32.20 3hx6 s GLN 993 CO -0.03 0.17 0.47 0.00 -0.55 0.00 0.00 175.29 175.34 3hx6 s ALA 994 N 0.34 -0.85 -0.18 1.58 0.00 -0.31 -4.99 121.76 117.35 3hx6 s ALA 994 Ca -0.14 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 3hx6 s ALA 994 Cb -0.16 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3hx6 s ALA 994 CO 0.06 -0.74 0.06 -0.51 0.00 0.00 0.00 175.76 174.63 3hx6 s ASP 995 N -2.86 5.65 0.29 0.00 1.11 -1.26 -0.18 116.67 119.41 3hx6 s ASP 995 Ca 0.08 0.09 -0.05 0.00 0.18 0.00 0.00 52.55 52.85 3hx6 s ASP 995 Cb 0.00 -1.96 -0.01 0.00 1.07 0.00 0.00 42.92 42.02 3hx6 s ASP 995 CO -0.05 0.18 0.40 -0.55 1.18 0.00 0.00 175.17 176.33 3hx6 s SER 996 N 0.34 0.52 -0.07 0.27 0.15 -0.53 -5.00 113.70 109.39 3hx6 s SER 996 Ca 0.03 -1.32 0.04 0.00 0.70 0.00 0.00 55.95 55.40 3hx6 s SER 996 Cb -0.12 0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 64.77 3hx6 s SER 996 CO 0.00 -1.16 -0.20 -0.89 1.20 0.00 0.00 173.24 172.19 3hx6 s THR 997 N -3.55 1.67 -0.29 6.45 2.01 -1.26 -1.14 115.64 119.53 3hx6 s THR 997 Ca 0.30 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3hx6 s THR 997 Cb 0.01 -1.44 0.06 0.00 0.01 0.00 0.00 72.50 71.14 3hx6 s THR 997 CO 0.16 0.47 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.15 3hx6 s PHE 998 N 0.19 3.31 0.00 4.92 0.08 0.16 -4.90 117.98 121.74 3hx6 s PHE 998 Ca -0.10 -2.21 0.00 0.00 0.12 0.00 0.00 56.93 54.74 3hx6 s PHE 998 Cb -0.14 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 3hx6 s PHE 998 CO 0.05 -0.86 0.00 0.00 -0.10 0.00 0.00 175.22 174.31 3hx6 n ALA 999 N 4.49 0.00 0.18 5.36 0.00 -1.26 -1.31 120.51 127.98 3hx6 n ALA 999 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.35 3hx6 n ALA 999 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 3hx6 n ALA 999 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hx6 n SER 1000N 10.28 1.38 -4.69 0.00 7.64 -1.26 -5.01 113.62 121.97 3hx6 n SER 1000Ca 0.00 -0.43 -0.42 0.00 1.01 0.00 0.00 58.87 59.03 3hx6 n SER 1000Cb 0.00 1.09 -0.03 0.00 -1.01 0.00 0.00 64.21 64.26 3hx6 n SER 1000CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3hx6 s THR 1001N -1.83 4.79 -0.01 0.44 2.01 -0.43 -5.03 115.64 115.59 3hx6 s THR 1001Ca 0.01 2.04 -0.14 0.00 0.31 0.00 0.00 61.69 63.90 3hx6 s THR 1001Cb 0.04 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 3hx6 s THR 1001CO 0.24 0.02 0.40 0.00 -0.69 0.00 0.00 174.62 174.59 3hx6 s ALA 1002N 1.92 3.70 0.10 7.40 0.00 -1.26 0.38 121.76 133.99 3hx6 s ALA 1002Ca 0.49 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 3hx6 s ALA 1002Cb -0.18 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.58 3hx6 s ALA 1002CO 0.19 0.48 0.33 1.03 0.00 0.00 0.00 175.76 177.79 3hx6 s ARG 1003N -1.05 0.96 -0.23 0.00 0.52 -0.29 -4.98 118.95 113.89 3hx6 s ARG 1003Ca 0.23 -0.72 -0.08 0.00 -0.52 0.00 0.00 55.73 54.64 3hx6 s ARG 1003Cb -0.16 0.42 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 3hx6 s ARG 1003CO 0.13 -0.35 0.09 0.95 0.02 0.00 0.00 175.30 176.14 3hx6 s THR 1004N -3.56 4.72 0.39 0.02 -4.23 -1.26 -1.45 115.64 110.26 3hx6 s THR 1004Ca 0.02 -0.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.53 3hx6 s THR 1004Cb 0.02 -3.18 -0.06 0.00 1.34 0.00 0.00 72.50 70.62 3hx6 s THR 1004CO -0.10 0.37 0.04 0.27 -0.54 0.00 0.00 174.62 174.66 3hx6 s ILE 1005N 1.11 1.51 0.03 2.99 -5.25 0.75 -1.62 121.20 120.72 3hx6 s ILE 1005Ca 0.05 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 57.74 3hx6 s ILE 1005Cb -0.14 -2.80 -0.02 0.00 2.95 0.00 0.00 42.46 42.46 3hx6 s ILE 1005CO 0.04 0.00 -0.09 -0.13 -1.79 0.00 0.00 174.94 172.97 3hx6 s ARG 1006N -3.80 0.60 -0.08 0.37 0.52 0.53 -1.16 118.95 115.93 3hx6 s ARG 1006Ca 0.32 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 3hx6 s ARG 1006Cb 0.08 -0.50 -0.02 0.00 0.52 0.00 0.00 34.95 35.04 3hx6 s ARG 1006CO 0.15 0.12 -0.18 0.42 0.02 0.00 0.00 175.30 175.83 3hx6 s ILE 1007N -0.83 2.66 0.23 1.52 1.09 0.36 -2.04 121.20 124.19 3hx6 s ILE 1007Ca -0.03 -0.84 0.07 0.00 -1.10 0.00 0.00 60.65 58.74 3hx6 s ILE 1007Cb -0.07 -2.04 -0.04 0.00 -1.06 0.00 0.00 42.46 39.26 3hx6 s ILE 1007CO 0.00 0.56 0.19 0.00 -0.10 0.00 0.00 174.94 175.60 3hx6 s ALA 1008N -0.19 3.60 1.08 9.38 0.00 -1.26 -0.89 121.76 133.47 3hx6 s ALA 1008Ca -0.01 -1.37 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 3hx6 s ALA 1008Cb -0.13 -1.34 0.23 0.00 0.00 0.00 0.00 23.12 21.88 3hx6 s ALA 1008CO 0.03 0.30 1.10 -1.54 0.00 0.00 0.00 175.76 175.65 3hx6 s SER 1009N -3.71 1.96 -0.35 0.00 1.04 0.02 -4.31 113.70 108.35 3hx6 s SER 1009Ca 0.33 1.00 0.15 0.00 0.48 0.00 0.00 55.95 57.90 3hx6 s SER 1009Cb -0.08 -1.53 0.41 0.00 0.10 0.00 0.00 66.02 64.91 3hx6 s SER 1009CO 0.25 -3.52 0.86 1.67 0.98 0.00 0.00 173.24 173.47 3hx6 n GLN 1010N -4.41 1.15 -2.63 4.02 7.27 -1.26 -0.23 117.38 121.28 3hx6 n GLN 1010Ca 0.07 -3.36 -0.41 0.00 0.07 0.00 0.00 57.00 53.37 3hx6 n GLN 1010Cb 0.58 -1.48 -0.04 0.00 2.41 0.00 0.00 30.24 31.70 3hx6 n GLN 1010CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 3hx6 s ASN 1011N -2.83 7.40 0.69 1.69 0.02 -1.26 -4.95 114.94 115.69 3hx6 s ASN 1011Ca 0.34 1.93 -0.11 0.00 -1.02 0.00 0.00 52.86 54.00 3hx6 s ASN 1011Cb 0.41 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 39.08 3hx6 s ASN 1011CO -0.02 -0.13 1.06 -2.16 0.02 0.00 0.00 177.10 175.87 3hx6 s PRO 1012N -0.18 3.03 -0.15 -0.60 0.04 -1.26 -4.85 135.00 131.03 3hx6 s PRO 1012Ca 0.48 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 3hx6 s PRO 1012Cb -0.26 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3hx6 s PRO 1012CO 0.32 -1.01 -0.10 0.08 0.04 0.00 0.00 177.00 176.33 3hx6 s VAL 1013N -3.09 3.30 -0.68 -0.36 1.01 -1.26 -4.96 120.40 114.35 3hx6 s VAL 1013Ca 0.58 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 3hx6 s VAL 1013Cb -0.13 -2.42 0.17 0.00 0.00 0.00 0.00 36.38 34.00 3hx6 s VAL 1013CO 0.55 0.50 0.64 0.21 0.00 0.00 0.00 175.10 177.00 3hx6 s ASN 1014N 0.53 6.48 0.07 3.32 3.04 -1.26 -4.93 114.94 122.17 3hx6 s ASN 1014Ca -0.07 -2.23 -0.19 0.00 0.04 0.00 0.00 52.86 50.41 3hx6 s ASN 1014Cb -0.15 -2.21 -0.11 0.00 -1.54 0.00 0.00 41.25 37.24 3hx6 s ASN 1014CO 0.03 -0.72 1.43 -0.50 -3.04 0.00 0.00 177.10 174.30 3hx6 h TRP 1015N 8.35 0.50 -3.87 0.43 4.06 -1.95 0.13 115.95 123.59 3hx6 h TRP 1015Ca -0.10 -0.12 -0.51 0.00 2.06 0.00 0.00 58.89 60.22 3hx6 h TRP 1015Cb 1.07 -0.12 -0.21 0.00 -1.00 0.00 0.00 29.16 28.90 3hx6 h TRP 1015CO 0.89 0.71 -0.81 -0.51 -3.56 0.00 0.00 178.44 175.16 3hx6 s LEU 1016N -9.25 2.31 0.88 -4.49 2.01 -1.26 0.50 118.68 109.39 3hx6 s LEU 1016Ca -0.14 -0.69 -0.11 0.00 0.01 0.00 0.00 54.13 53.21 3hx6 s LEU 1016Cb 0.07 -0.78 0.18 0.00 0.01 0.00 0.00 46.19 45.67 3hx6 s LEU 1016CO 0.76 0.01 1.21 0.20 1.01 0.00 0.00 176.35 179.54 3hx6 s ASN 1017N -1.95 3.50 0.37 2.29 0.01 0.22 -4.79 114.94 114.60 3hx6 s ASN 1017Ca 0.05 0.02 0.27 0.00 -0.71 0.00 0.00 52.86 52.50 3hx6 s ASN 1017Cb -0.09 -0.16 1.13 0.00 0.41 0.00 0.00 41.25 42.53 3hx6 s ASN 1017CO 0.04 -2.46 1.82 0.78 -1.51 0.00 0.00 177.10 175.77 3hx6 h ASN 1018N -1.27 0.00 1.47 -1.22 2.35 -2.01 -2.05 115.58 112.84 3hx6 h ASN 1018Ca -0.41 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.29 3hx6 h ASN 1018Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 3hx6 h ASN 1018CO 0.38 0.00 -0.20 0.44 -1.65 0.00 0.00 177.43 176.40 3hx6 h ASP 1019N 0.00 0.00 0.00 5.81 3.32 -2.04 -3.46 116.42 120.05 3hx6 h ASP 1019Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hx6 h ASP 1019Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hx6 h ASP 1019CO 0.00 0.20 0.00 0.61 -1.72 0.00 0.00 179.24 178.33 3hx6 n GLY 1020N 0.77 0.53 3.82 2.75 0.00 -0.77 -5.08 105.19 107.21 3hx6 n GLY 1020Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3hx6 n GLY 1020CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hx6 s SER 1021N -2.27 6.88 0.13 1.61 1.04 -1.26 -4.75 113.70 115.08 3hx6 s SER 1021Ca 0.00 1.68 -0.31 0.00 0.48 0.00 0.00 55.95 57.80 3hx6 s SER 1021Cb 0.00 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.50 3hx6 s SER 1021CO 0.00 -0.40 1.50 -0.89 0.98 0.00 0.00 173.24 174.43 3hx6 s THR 1022N -2.23 2.99 0.00 2.02 2.01 -1.26 -0.61 115.64 118.55 3hx6 s THR 1022Ca 0.62 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.29 3hx6 s THR 1022Cb -0.09 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3hx6 s THR 1022CO 0.16 0.04 0.00 1.17 -0.69 0.00 0.00 174.62 175.30 3hx6 n LYS 1023N 4.21 0.00 -3.24 4.92 4.81 0.18 -4.82 118.16 124.23 3hx6 n LYS 1023Ca 0.13 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.18 3hx6 n LYS 1023Cb 0.40 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.40 3hx6 n LYS 1023CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hx6 s GLN 1024N 0.00 4.25 -0.02 1.64 -0.21 0.03 -4.95 119.66 120.41 3hx6 s GLN 1024Ca 0.00 0.77 0.19 0.00 0.02 0.00 0.00 55.36 56.34 3hx6 s GLN 1024Cb 0.00 -3.26 0.56 0.00 1.00 0.00 0.00 33.01 31.31 3hx6 s GLN 1024CO 0.00 0.58 1.47 0.43 -2.12 0.00 0.00 175.29 175.65 3hx6 n SER 1025N 1.93 3.78 0.00 5.90 7.64 0.49 -4.35 113.62 129.00 3hx6 n SER 1025Ca -0.09 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.72 3hx6 n SER 1025Cb 0.51 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3hx6 n SER 1025CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hx6 n GLY 1026N 1.25 -0.51 3.66 0.23 0.00 -1.25 -0.26 105.19 108.30 3hx6 n GLY 1026Ca 0.21 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3hx6 n GLY 1026CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hx6 s TRP 1027N -3.91 0.19 0.05 1.61 1.48 -0.09 -0.38 118.94 117.89 3hx6 s TRP 1027Ca 0.00 -0.58 -0.16 0.00 -1.06 0.00 0.00 56.10 54.30 3hx6 s TRP 1027Cb 0.00 0.33 0.03 0.00 -1.16 0.00 0.00 33.47 32.67 3hx6 s TRP 1027CO 0.00 -1.05 0.35 1.52 -4.06 0.00 0.00 176.95 173.71 3hx6 s TYR 1028N -3.98 -0.18 -0.16 1.66 1.13 -0.94 -0.90 117.35 113.97 3hx6 s TYR 1028Ca 0.19 0.08 -0.04 0.00 -1.41 0.00 0.00 57.07 55.89 3hx6 s TYR 1028Cb -0.02 0.15 0.07 0.00 -1.10 0.00 0.00 41.96 41.06 3hx6 s TYR 1028CO 0.08 -0.54 0.18 -1.17 -2.51 0.00 0.00 175.55 171.59 3hx6 s LEU 1029N -2.05 -0.00 0.20 -3.49 2.96 0.74 -1.36 118.68 115.67 3hx6 s LEU 1029Ca -0.05 -0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 3hx6 s LEU 1029Cb -0.01 0.22 -0.08 0.00 0.50 0.00 0.00 46.19 46.82 3hx6 s LEU 1029CO -0.03 -0.31 1.08 -1.81 -1.32 0.00 0.00 176.35 173.96 3hx6 s ASP 1030N 2.28 7.32 -1.11 3.68 1.01 -1.26 -0.33 116.67 128.25 3hx6 s ASP 1030Ca 0.05 2.09 -0.22 0.00 0.71 0.00 0.00 52.55 55.18 3hx6 s ASP 1030Cb -0.15 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.20 3hx6 s ASP 1030CO -0.10 -0.16 1.68 -0.36 0.21 0.00 0.00 175.17 176.44 3hx6 s PHE 1031N -0.47 2.43 -0.28 4.23 0.08 0.97 -4.62 117.98 120.31 3hx6 s PHE 1031Ca 0.48 -0.70 -0.25 0.00 0.12 0.00 0.00 56.93 56.57 3hx6 s PHE 1031Cb -0.29 -4.53 0.14 0.00 -0.57 0.00 0.00 43.02 37.77 3hx6 s PHE 1031CO 0.35 -1.77 1.11 0.00 -0.10 0.00 0.00 175.22 174.81 3hx6 s MET 1032N 5.24 0.42 -0.43 0.44 0.23 -1.26 -4.39 119.30 119.54 3hx6 s MET 1032Ca 0.55 0.47 -0.18 0.00 -1.03 0.00 0.00 55.69 55.50 3hx6 s MET 1032Cb 0.00 0.20 0.02 0.00 -1.53 0.00 0.00 34.83 33.53 3hx6 s MET 1032CO 0.00 -0.06 0.50 0.54 -2.03 0.00 0.00 175.02 173.98 3hx6 s VAL 1033N 0.10 5.01 -1.28 5.16 0.11 -1.26 -3.87 120.40 124.37 3hx6 s VAL 1033Ca 0.04 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.82 3hx6 s VAL 1033Cb -0.05 -4.10 0.01 0.00 -1.53 0.00 0.00 36.38 30.71 3hx6 s VAL 1033CO -0.08 -0.49 0.87 -3.20 -3.33 0.00 0.00 175.10 168.87 3hx6 n ASN 1034N 5.79 -2.11 0.00 3.54 2.85 -0.24 -2.71 115.26 122.39 3hx6 n ASN 1034Ca -0.06 -0.72 0.00 0.00 -0.11 0.00 0.00 54.58 53.69 3hx6 n ASN 1034Cb 0.47 -4.54 0.00 0.00 1.24 0.00 0.00 39.78 36.96 3hx6 n ASN 1034CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hx6 n GLY 1035N -1.44 1.64 3.61 8.20 0.00 -1.26 -4.97 105.19 110.98 3hx6 n GLY 1035Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3hx6 n GLY 1035CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hx6 s THR 1036N -2.54 3.95 -0.25 2.61 -1.32 -1.10 -4.96 115.64 112.02 3hx6 s THR 1036Ca 0.00 1.01 -0.29 0.00 -1.21 0.00 0.00 61.69 61.20 3hx6 s THR 1036Cb 0.00 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.84 3hx6 s THR 1036CO 0.00 -0.65 1.19 -0.76 -2.21 0.00 0.00 174.62 172.19 3hx6 s LEU 1037N 5.15 4.02 0.00 9.08 1.43 -1.26 -4.08 118.68 133.02 3hx6 s LEU 1037Ca 0.61 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3hx6 s LEU 1037Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3hx6 s LEU 1037CO 0.30 -0.86 0.42 0.29 0.23 0.00 0.00 176.35 176.72 3hx6 n LYS 1038N 6.82 -0.74 -1.73 1.70 4.76 -1.26 -4.83 118.16 122.89 3hx6 n LYS 1038Ca 0.13 -0.42 -0.02 0.00 -2.87 0.00 0.00 58.31 55.13 3hx6 n LYS 1038Cb 0.46 -0.92 -0.00 0.00 -1.84 0.00 0.00 35.03 32.73 3hx6 n LYS 1038CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hx6 n GLY 1039N 0.01 0.37 3.75 0.72 0.00 -1.25 -4.62 105.19 104.18 3hx6 n GLY 1039Ca 0.00 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 3hx6 n GLY 1039CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hx6 s GLU 1040N -3.49 4.35 0.18 1.61 2.12 -1.26 -4.40 118.70 117.81 3hx6 s GLU 1040Ca 0.00 2.17 -0.09 0.00 0.36 0.00 0.00 54.97 57.41 3hx6 s GLU 1040Cb 0.00 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 3hx6 s GLU 1040CO 0.00 -0.27 0.29 0.00 -0.54 0.00 0.00 175.26 174.75 3hx6 s MET 1041N -0.74 1.22 -0.25 4.30 0.23 0.11 -4.01 119.30 120.16 3hx6 s MET 1041Ca 0.55 -1.24 -0.08 0.00 -1.03 0.00 0.00 55.69 53.90 3hx6 s MET 1041Cb -0.39 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.26 3hx6 s MET 1041CO 0.44 -0.45 0.08 -1.17 -2.03 0.00 0.00 175.02 171.89 3hx6 s LEU 1042N -3.00 3.47 0.00 0.18 2.96 -0.22 -0.64 118.68 121.43 3hx6 s LEU 1042Ca 0.20 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3hx6 s LEU 1042Cb 0.03 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3hx6 s LEU 1042CO 0.03 -0.04 0.00 2.30 -1.32 0.00 0.00 176.35 177.32 3hx6 n ILE 1043N 4.93 0.00 -3.66 6.68 -0.00 -1.26 -3.72 119.36 122.34 3hx6 n ILE 1043Ca -0.16 -0.08 -0.33 0.00 -0.00 0.00 0.00 62.75 62.19 3hx6 n ILE 1043Cb 0.51 0.48 -0.05 0.00 -0.00 0.00 0.00 39.64 40.59 3hx6 n ILE 1043CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 3hx6 s GLU 1044N -1.13 3.65 0.78 6.28 0.41 -1.26 -3.92 118.70 123.50 3hx6 s GLU 1044Ca 0.00 -0.02 -0.13 0.00 -0.41 0.00 0.00 54.97 54.41 3hx6 s GLU 1044Cb 0.00 -2.92 0.07 0.00 -1.78 0.00 0.00 34.13 29.50 3hx6 s GLU 1044CO 0.00 0.51 1.18 -0.51 -0.49 0.00 0.00 175.26 175.96 3hx6 s ASP 1045N -2.16 3.93 0.43 -0.19 1.11 -1.26 -4.77 116.67 113.76 3hx6 s ASP 1045Ca 0.37 2.27 0.08 0.00 0.18 0.00 0.00 52.55 55.44 3hx6 s ASP 1045Cb -0.13 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.27 3hx6 s ASP 1045CO 0.22 -2.44 0.38 -0.04 1.18 0.00 0.00 175.17 174.47 3hx6 s MET 1046N -4.17 2.49 -0.15 8.23 -1.94 -1.26 -4.69 119.30 117.80 3hx6 s MET 1046Ca 0.71 -1.59 -0.00 0.00 -1.71 0.00 0.00 55.69 53.10 3hx6 s MET 1046Cb -0.26 -2.34 0.04 0.00 2.01 0.00 0.00 34.83 34.27 3hx6 s MET 1046CO 0.49 -0.23 -0.06 0.42 -0.01 0.00 0.00 175.02 175.63 3hx6 s ILE 1047N -2.50 1.08 -0.24 2.53 1.01 0.12 -4.94 121.20 118.26 3hx6 s ILE 1047Ca 0.47 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 3hx6 s ILE 1047Cb -0.03 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3hx6 s ILE 1047CO 0.27 0.19 0.09 0.00 0.00 0.00 0.00 174.94 175.50 3hx6 s ALA 1048N 1.66 3.29 -0.07 9.38 0.00 -1.26 0.14 121.76 134.89 3hx6 s ALA 1048Ca 0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 3hx6 s ALA 1048Cb -0.14 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.88 3hx6 s ALA 1048CO -0.08 -0.36 0.17 -1.50 0.00 0.00 0.00 175.76 174.00 3hx6 s ILE 1049N 1.38 -0.02 0.00 0.00 2.07 -0.21 -5.01 121.20 119.41 3hx6 s ILE 1049Ca 0.06 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.38 3hx6 s ILE 1049Cb -0.15 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.18 3hx6 s ILE 1049CO 0.05 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 3hx6 n GLY 1050N 3.56 3.54 2.00 1.50 0.00 -1.26 -1.33 105.19 113.20 3hx6 n GLY 1050Ca -0.19 0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 3hx6 n GLY 1050CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hx6 n GLN 1051N 14.00 2.49 -3.87 1.61 6.02 0.35 -4.97 117.38 133.01 3hx6 n GLN 1051Ca 0.00 -3.30 -0.11 0.00 -0.01 0.00 0.00 57.00 53.58 3hx6 n GLN 1051Cb 0.00 -2.15 -0.09 0.00 1.02 0.00 0.00 30.24 29.02 3hx6 n GLN 1051CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hx6 s VAL 1052N -3.99 0.10 -0.13 5.09 -7.23 -0.44 -4.32 120.40 109.48 3hx6 s VAL 1052Ca 0.56 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.95 3hx6 s VAL 1052Cb 0.47 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.75 3hx6 s VAL 1052CO 0.03 -0.44 -0.22 0.54 -0.31 0.00 0.00 175.10 174.70 3hx6 s VAL 1053N -1.94 2.04 -0.16 1.32 0.11 0.06 -1.04 120.40 120.79 3hx6 s VAL 1053Ca -0.10 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 57.92 3hx6 s VAL 1053Cb -0.04 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 3hx6 s VAL 1053CO -0.01 0.55 0.03 -0.76 -3.33 0.00 0.00 175.10 171.58 3hx6 s LEU 1054N 0.76 3.64 0.09 2.54 1.43 0.36 -1.21 118.68 126.30 3hx6 s LEU 1054Ca -0.08 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 3hx6 s LEU 1054Cb -0.16 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 3hx6 s LEU 1054CO -0.01 0.21 0.18 -1.48 0.23 0.00 0.00 176.35 175.49 3hx6 s LEU 1055N 0.15 1.45 -0.06 1.79 2.34 -0.57 0.16 118.68 123.93 3hx6 s LEU 1055Ca 0.03 -0.66 0.02 0.00 0.06 0.00 0.00 54.13 53.58 3hx6 s LEU 1055Cb -0.13 1.01 0.01 0.00 -0.56 0.00 0.00 46.19 46.53 3hx6 s LEU 1055CO 0.01 -0.72 -0.11 -1.58 -1.06 0.00 0.00 176.35 172.89 3hx6 s GLN 1056N -3.84 1.59 0.31 1.48 0.74 -1.26 0.15 119.66 118.82 3hx6 s GLN 1056Ca 0.05 -0.37 0.08 0.00 0.05 0.00 0.00 55.36 55.17 3hx6 s GLN 1056Cb 0.05 -1.34 -0.03 0.00 1.10 0.00 0.00 33.01 32.78 3hx6 s GLN 1056CO -0.11 0.00 0.19 -0.08 -0.55 0.00 0.00 175.29 174.75 3hx6 s THR 1057N 0.74 3.58 -0.02 -0.34 -1.32 0.51 -4.45 115.64 114.34 3hx6 s THR 1057Ca -0.13 -1.53 0.04 0.00 -1.21 0.00 0.00 61.69 58.86 3hx6 s THR 1057Cb -0.15 -3.13 -0.01 0.00 -1.51 0.00 0.00 72.50 67.69 3hx6 s THR 1057CO 0.03 -0.24 -0.14 -0.51 -2.21 0.00 0.00 174.62 171.55 3hx6 s ILE 1058N -2.30 1.17 -0.29 5.08 2.07 0.19 -2.26 121.20 124.85 3hx6 s ILE 1058Ca 0.37 -0.60 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 3hx6 s ILE 1058Cb -0.05 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.62 3hx6 s ILE 1058CO 0.24 0.34 0.00 -0.89 -1.91 0.00 0.00 174.94 172.72 3hx6 s THR 1059N -0.11 1.80 0.22 4.00 2.01 -0.01 -0.71 115.64 122.83 3hx6 s THR 1059Ca 0.01 -1.73 -0.32 0.00 0.31 0.00 0.00 61.69 59.96 3hx6 s THR 1059Cb -0.08 -2.18 -0.12 0.00 0.01 0.00 0.00 72.50 70.13 3hx6 s THR 1059CO 0.00 -0.37 1.69 -2.65 -0.69 0.00 0.00 174.62 172.60 3hx6 n PRO 1060N 4.51 2.70 -0.10 4.92 -0.02 -1.26 -0.99 135.00 144.75 3hx6 n PRO 1060Ca -0.05 0.97 -0.15 0.00 -2.02 0.00 0.00 63.50 62.26 3hx6 n PRO 1060Cb 0.43 -2.80 -0.05 0.00 -0.02 0.00 0.00 33.50 31.06 3hx6 n PRO 1060CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hx6 n ASN 1061N 3.59 1.94 -4.35 2.55 3.02 -1.26 -4.38 115.26 116.37 3hx6 n ASN 1061Ca 0.15 0.35 -0.18 0.00 -0.03 0.00 0.00 54.58 54.87 3hx6 n ASN 1061Cb 0.34 -0.77 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 3hx6 n ASN 1061CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hx6 s ALA 1069N -2.78 1.94 0.10 5.41 0.00 -1.26 -4.94 121.76 120.22 3hx6 s ALA 1069Ca -0.31 -1.76 0.10 0.00 0.00 0.00 0.00 51.96 49.99 3hx6 s ALA 1069Cb 0.07 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 3hx6 s ALA 1069CO 0.44 -0.14 -0.25 -1.54 0.00 0.00 0.00 175.76 174.26 3hx6 s SER 1070N -3.33 3.38 -0.09 0.00 1.04 -0.16 -4.88 113.70 109.66 3hx6 s SER 1070Ca 0.26 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 56.06 3hx6 s SER 1070Cb 0.04 -0.31 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3hx6 s SER 1070CO 0.08 0.21 -0.15 0.20 0.98 0.00 0.00 173.24 174.56 3hx6 s ASN 1071N -1.78 3.87 -0.13 7.02 0.02 -1.26 -0.83 114.94 121.85 3hx6 s ASN 1071Ca 0.14 -0.31 0.03 0.00 -1.02 0.00 0.00 52.86 51.69 3hx6 s ASN 1071Cb -0.10 -1.25 0.01 0.00 0.02 0.00 0.00 41.25 39.93 3hx6 s ASN 1071CO 0.05 0.24 -0.22 0.26 0.02 0.00 0.00 177.10 177.45 3hx6 s TRP 1072N -0.09 2.64 -0.20 2.20 0.52 -0.96 -0.75 118.94 122.31 3hx6 s TRP 1072Ca -0.03 -1.24 -0.09 0.00 0.02 0.00 0.00 56.10 54.76 3hx6 s TRP 1072Cb -0.14 -1.79 -0.05 0.00 -1.15 0.00 0.00 33.47 30.35 3hx6 s TRP 1072CO 0.04 -0.55 0.11 0.99 0.02 0.00 0.00 176.95 177.56 3hx6 s THR 1073N 0.67 5.26 0.14 2.01 2.01 -0.10 -0.36 115.64 125.26 3hx6 s THR 1073Ca -0.10 0.14 0.11 0.00 0.31 0.00 0.00 61.69 62.14 3hx6 s THR 1073Cb -0.16 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3hx6 s THR 1073CO 0.01 0.44 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.82 3hx6 s TYR 1074N 0.36 2.22 -0.25 4.92 1.51 0.12 -1.20 117.35 125.03 3hx6 s TYR 1074Ca 0.07 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3hx6 s TYR 1074Cb -0.11 -1.18 0.08 0.00 -0.11 0.00 0.00 41.96 40.63 3hx6 s TYR 1074CO -0.01 0.34 0.04 0.20 -1.11 0.00 0.00 175.55 175.01 3hx6 s GLY 1075N -2.15 1.02 0.32 0.71 0.00 0.99 -1.51 107.32 106.71 3hx6 s GLY 1075Ca 0.14 -1.28 0.10 0.00 0.00 0.00 0.00 44.72 43.68 3hx6 s GLY 1075CO 0.06 1.38 -0.12 1.08 0.00 0.00 0.00 173.10 175.50 3hx6 s LEU 1076N 1.63 2.70 -0.34 0.66 1.43 -0.35 -4.61 118.68 119.81 3hx6 s LEU 1076Ca 0.03 -1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 51.70 3hx6 s LEU 1076Cb -0.18 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.01 3hx6 s LEU 1076CO -0.14 -0.13 1.21 -0.62 0.23 0.00 0.00 176.35 176.89 3hx6 s ASP 1077N -3.58 6.73 0.57 2.29 2.15 -0.01 -0.76 116.67 124.05 3hx6 s ASP 1077Ca 0.32 1.01 0.29 0.00 0.43 0.00 0.00 52.55 54.59 3hx6 s ASP 1077Cb 0.00 -2.54 1.69 0.00 -0.30 0.00 0.00 42.92 41.77 3hx6 s ASP 1077CO 0.16 -1.06 2.19 1.55 -0.17 0.00 0.00 175.17 177.84 3hx6 h PRO 1078N 8.97 0.00 0.00 4.34 0.13 -1.88 0.57 132.00 144.13 3hx6 h PRO 1078Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hx6 h PRO 1078Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hx6 h PRO 1078CO 1.05 0.05 0.00 0.66 -0.23 0.00 0.00 178.00 179.53 3hx6 n TYR 1079N -3.77 0.63 0.00 1.56 0.53 -1.26 -4.29 117.16 110.55 3hx6 n TYR 1079Ca -0.03 0.19 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 3hx6 n TYR 1079Cb 0.14 -0.81 0.00 0.00 -1.03 0.00 0.00 39.34 37.64 3hx6 n TYR 1079CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 3hx6 n THR 1080N -2.02 0.00 -0.95 -0.72 5.66 -0.90 -4.80 114.28 110.55 3hx6 n THR 1080Ca 0.06 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 3hx6 n THR 1080Cb 0.38 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 3hx6 n THR 1080CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hx6 n GLY 1081N 0.05 1.00 0.00 1.09 0.00 0.20 -4.76 105.19 102.77 3hx6 n GLY 1081Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx6 n GLY 1081CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 1082N -2.00 3.82 3.74 -0.02 0.00 -1.25 -4.73 105.19 104.76 3hx6 n GLY 1082Ca 0.00 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 3hx6 n GLY 1082CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hx6 s ARG 1083N 0.90 4.26 0.79 1.61 3.52 0.67 -0.83 118.95 129.87 3hx6 s ARG 1083Ca 0.00 2.31 -0.11 0.00 -0.13 0.00 0.00 55.73 57.80 3hx6 s ARG 1083Cb 0.00 -3.11 0.07 0.00 -1.56 0.00 0.00 34.95 30.34 3hx6 s ARG 1083CO 0.00 -0.44 1.09 0.95 -0.81 0.00 0.00 175.30 176.09 3hx6 s THR 1084N 0.10 3.22 -2.41 4.11 -4.23 -1.26 -4.71 115.64 110.46 3hx6 s THR 1084Ca 0.60 0.40 0.25 0.00 -1.18 0.00 0.00 61.69 61.76 3hx6 s THR 1084Cb -0.42 -2.87 0.50 0.00 1.34 0.00 0.00 72.50 71.05 3hx6 s THR 1084CO 0.42 -0.52 1.64 -1.54 -0.54 0.00 0.00 174.62 174.09 3hx6 n SER 1085N -3.58 1.63 -4.20 3.99 3.41 -1.26 -4.61 113.62 109.00 3hx6 n SER 1085Ca 0.09 -1.61 -0.15 0.00 -0.26 0.00 0.00 58.87 56.94 3hx6 n SER 1085Cb 0.53 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3hx6 n SER 1085CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hx6 s PHE 1086N -1.90 1.15 0.12 7.33 -0.12 -1.26 -4.97 117.98 118.33 3hx6 s PHE 1086Ca 0.35 -0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 56.27 3hx6 s PHE 1086Cb 0.19 -0.61 -0.06 0.00 -0.63 0.00 0.00 43.02 41.91 3hx6 s PHE 1086CO 0.30 0.04 1.10 -0.08 -0.05 0.00 0.00 175.22 176.53 3hx6 s THR 1087N -2.60 4.07 -0.22 -4.49 -1.32 -1.26 -4.78 115.64 105.03 3hx6 s THR 1087Ca 0.08 1.66 -0.14 0.00 -1.21 0.00 0.00 61.69 62.08 3hx6 s THR 1087Cb -0.02 -4.06 -0.18 0.00 -1.51 0.00 0.00 72.50 66.73 3hx6 s THR 1087CO 0.00 0.23 0.01 0.55 -2.21 0.00 0.00 174.62 173.20 3hx6 n VAL 1088N 2.97 1.57 -3.93 5.08 3.14 -1.26 -4.56 118.33 121.35 3hx6 n VAL 1088Ca 0.05 -0.31 -0.36 0.00 -2.96 0.00 0.00 64.34 60.76 3hx6 n VAL 1088Cb 0.47 -1.86 -0.06 0.00 -1.06 0.00 0.00 33.84 31.33 3hx6 n VAL 1088CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3hx6 s PHE 1089N -2.46 3.54 -0.93 1.45 0.08 -1.26 -0.63 117.98 117.76 3hx6 s PHE 1089Ca -0.31 0.44 -0.18 0.00 0.12 0.00 0.00 56.93 56.99 3hx6 s PHE 1089Cb 0.09 -1.89 0.14 0.00 -0.57 0.00 0.00 43.02 40.79 3hx6 s PHE 1089CO 0.59 0.69 1.12 0.34 -0.10 0.00 0.00 175.22 177.86 3hx6 s ASP 1090N -1.33 6.64 0.13 1.36 2.15 -0.45 -4.78 116.67 120.40 3hx6 s ASP 1090Ca 0.19 -2.09 0.26 0.00 0.43 0.00 0.00 52.55 51.34 3hx6 s ASP 1090Cb -0.12 -2.39 0.75 0.00 -0.30 0.00 0.00 42.92 40.86 3hx6 s ASP 1090CO 0.09 -1.04 1.67 0.18 -0.17 0.00 0.00 175.17 175.90 3hx6 n LEU 1091N 6.43 0.62 -0.85 -1.34 4.77 -1.26 -3.80 117.00 121.57 3hx6 n LEU 1091Ca 0.24 0.44 0.07 0.00 -0.03 0.00 0.00 56.01 56.73 3hx6 n LEU 1091Cb 0.49 -0.31 0.20 0.00 -2.33 0.00 0.00 43.42 41.47 3hx6 n LEU 1091CO 0.50 -0.10 0.67 0.00 -1.33 0.00 0.00 177.39 177.13 3hx6 n ALA 1092N -1.72 2.43 -3.87 -1.18 0.00 -1.26 -4.75 120.51 110.15 3hx6 n ALA 1092Ca 0.05 -0.80 -0.28 0.00 0.00 0.00 0.00 53.44 52.41 3hx6 n ALA 1092Cb 0.41 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.92 3hx6 n ALA 1092CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hx6 n ARG 1093N 0.84 -5.27 0.08 0.00 1.74 -1.25 -4.68 116.66 108.12 3hx6 n ARG 1093Ca 0.15 0.59 0.05 0.00 -0.77 0.00 0.00 57.85 57.88 3hx6 n ARG 1093Cb 0.39 -5.37 -0.03 0.00 -1.02 0.00 0.00 32.46 26.43 3hx6 n ARG 1093CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hx6 h GLN 1094N -2.02 0.00 0.00 5.56 1.08 -1.92 -3.47 115.11 114.34 3hx6 h GLN 1094Ca -0.59 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.61 3hx6 h GLN 1094Cb 1.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 3hx6 h GLN 1094CO 0.65 0.18 0.00 0.41 -0.95 0.00 0.00 178.83 179.11 3hx6 n GLY 1095N 1.28 0.68 3.28 3.46 0.00 -1.26 -5.01 105.19 107.62 3hx6 n GLY 1095Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3hx6 n GLY 1095CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hx6 s VAL 1096N -2.40 0.09 -0.48 1.61 -7.23 -1.26 -5.01 120.40 105.72 3hx6 s VAL 1096Ca 0.00 -0.75 -0.19 0.00 -1.81 0.00 0.00 61.98 59.23 3hx6 s VAL 1096Cb 0.00 -1.21 0.04 0.00 0.56 0.00 0.00 36.38 35.77 3hx6 s VAL 1096CO 0.00 -0.41 0.61 -0.69 -0.31 0.00 0.00 175.10 174.30 3hx6 s VAL 1097N -3.78 4.87 0.34 1.32 1.01 -1.26 -4.70 120.40 118.21 3hx6 s VAL 1097Ca 0.03 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3hx6 s VAL 1097Cb 0.03 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3hx6 s VAL 1097CO -0.11 -0.70 0.21 -0.90 0.00 0.00 0.00 175.10 173.59 3hx6 n ASP 1098N 6.16 0.17 0.27 3.32 5.68 -1.26 -5.02 116.55 125.87 3hx6 n ASP 1098Ca -0.05 -3.03 0.15 0.00 -0.50 0.00 0.00 54.79 51.36 3hx6 n ASP 1098Cb 0.46 1.29 0.82 0.00 -1.14 0.00 0.00 41.12 42.56 3hx6 n ASP 1098CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3hx6 h SER 1099N 1.73 0.00 0.21 -1.12 4.64 -1.98 -1.76 113.55 115.28 3hx6 h SER 1099Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3hx6 h SER 1099Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3hx6 h SER 1099CO 0.39 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.46 3hx6 h LYS 1100N 0.00 0.00 -0.02 4.77 1.57 -1.97 -1.41 116.57 119.52 3hx6 h LYS 1100Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hx6 h LYS 1100Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3hx6 h LYS 1100CO 0.00 0.00 -0.35 0.43 -0.57 0.00 0.00 179.45 178.96 3hx6 n SER 1101N -2.69 2.02 -4.85 0.86 7.64 -0.66 -4.11 113.62 111.83 3hx6 n SER 1101Ca -0.01 -1.50 -0.30 0.00 1.01 0.00 0.00 58.87 58.07 3hx6 n SER 1101Cb 0.11 0.33 0.07 0.00 -1.01 0.00 0.00 64.21 63.71 3hx6 n SER 1101CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hx6 s ASP 1102N -2.38 4.83 0.03 6.43 1.01 -0.53 -4.48 116.67 121.57 3hx6 s ASP 1102Ca 0.22 1.11 0.05 0.00 0.71 0.00 0.00 52.55 54.64 3hx6 s ASP 1102Cb 0.19 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.28 3hx6 s ASP 1102CO 0.51 -1.73 -0.15 -0.47 0.21 0.00 0.00 175.17 173.54 3hx6 s TYR 1103N -3.33 1.28 -0.66 4.23 6.14 0.26 -4.93 117.35 120.35 3hx6 s TYR 1103Ca 0.60 -0.34 -0.23 0.00 0.64 0.00 0.00 57.07 57.74 3hx6 s TYR 1103Cb -0.12 -0.77 0.06 0.00 0.42 0.00 0.00 41.96 41.55 3hx6 s TYR 1103CO 0.52 0.03 1.01 0.45 0.64 0.00 0.00 175.55 178.20 3hx6 s SER 1104N -1.03 6.19 -0.50 4.32 0.15 -1.26 -0.28 113.70 121.30 3hx6 s SER 1104Ca 0.03 -0.81 -0.13 0.00 0.70 0.00 0.00 55.95 55.73 3hx6 s SER 1104Cb -0.08 -2.44 0.12 0.00 -1.71 0.00 0.00 66.02 61.91 3hx6 s SER 1104CO 0.01 -1.47 0.42 -0.47 1.20 0.00 0.00 173.24 172.93 3hx6 s TYR 1105N 4.30 3.32 -0.84 3.44 5.04 0.11 -4.69 117.35 128.03 3hx6 s TYR 1105Ca 0.25 -1.48 -0.03 0.00 -2.44 0.00 0.00 57.07 53.37 3hx6 s TYR 1105Cb -0.15 -3.58 -0.00 0.00 0.35 0.00 0.00 41.96 38.58 3hx6 s TYR 1105CO 0.12 -0.98 0.67 0.09 -1.34 0.00 0.00 175.55 174.11 3hx6 n ASN 1106N 5.10 -6.07 -0.13 4.32 4.13 -1.26 -1.96 115.26 119.40 3hx6 n ASN 1106Ca -0.11 -0.63 -0.02 0.00 1.68 0.00 0.00 54.58 55.50 3hx6 n ASN 1106Cb 0.41 -3.34 -0.01 0.00 -1.54 0.00 0.00 39.78 35.30 3hx6 n ASN 1106CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3hx6 n LYS 1107N -2.54 -1.41 -4.61 3.52 5.02 -1.26 -4.98 118.16 111.90 3hx6 n LYS 1107Ca -0.16 0.44 -0.28 0.00 -2.02 0.00 0.00 58.31 56.29 3hx6 n LYS 1107Cb 0.60 -4.54 -0.17 0.00 -0.02 0.00 0.00 35.03 30.91 3hx6 n LYS 1107CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3hx6 s GLN 1108N -1.66 2.17 -0.33 1.97 2.00 -0.83 -5.08 119.66 117.89 3hx6 s GLN 1108Ca 0.00 -0.56 -0.29 0.00 -2.00 0.00 0.00 55.36 52.51 3hx6 s GLN 1108Cb 0.00 -1.79 0.01 0.00 0.80 0.00 0.00 33.01 32.03 3hx6 s GLN 1108CO 0.00 0.00 1.24 -0.80 -0.50 0.00 0.00 175.29 175.23 3hx6 s ASN 1109N 0.80 6.71 0.14 6.67 0.01 -1.26 0.04 114.94 128.05 3hx6 s ASN 1109Ca -0.11 1.06 0.07 0.00 -0.71 0.00 0.00 52.86 53.18 3hx6 s ASN 1109Cb -0.16 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 3hx6 s ASN 1109CO 0.02 -1.07 -0.17 -0.69 -1.51 0.00 0.00 177.10 173.68 3hx6 s VAL 1110N 4.27 1.58 0.37 1.60 1.01 0.61 -4.93 120.40 124.90 3hx6 s VAL 1110Ca 0.53 -1.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.47 3hx6 s VAL 1110Cb -0.14 -1.66 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 3hx6 s VAL 1110CO 0.23 -0.33 1.10 0.00 0.00 0.00 0.00 175.10 176.10 3hx6 s ALA 1111N -1.98 3.20 -0.11 5.51 0.00 -1.26 -0.58 121.76 126.54 3hx6 s ALA 1111Ca 0.11 0.84 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 3hx6 s ALA 1111Cb -0.06 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3hx6 s ALA 1111CO 0.05 -0.30 0.77 0.08 0.00 0.00 0.00 175.76 176.36 3hx6 s VAL 1112N -1.44 4.96 -0.12 0.00 1.01 -1.26 -4.82 120.40 118.74 3hx6 s VAL 1112Ca 0.54 1.56 0.17 0.00 0.00 0.00 0.00 61.98 64.24 3hx6 s VAL 1112Cb -0.28 -4.10 -0.19 0.00 0.00 0.00 0.00 36.38 31.82 3hx6 s VAL 1112CO 0.35 0.15 0.64 -1.20 0.00 0.00 0.00 175.10 175.04 3hx6 n SER 1113N 4.44 0.64 -3.96 3.32 7.64 -1.10 -4.64 113.62 119.96 3hx6 n SER 1113Ca 0.02 0.29 -0.09 0.00 1.01 0.00 0.00 58.87 60.09 3hx6 n SER 1113Cb 0.50 0.44 -0.11 0.00 -1.01 0.00 0.00 64.21 64.03 3hx6 n SER 1113CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hx6 s GLY 1114N -4.93 0.20 -0.11 0.23 0.00 -0.86 -0.00 107.32 101.85 3hx6 s GLY 1114Ca -0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 44.72 44.09 3hx6 s GLY 1114CO 0.82 -0.56 0.28 -1.08 0.00 0.00 0.00 173.10 172.56 3hx6 s THR 1115N -1.35 -0.00 0.01 0.90 -1.32 -0.34 -0.35 115.64 113.19 3hx6 s THR 1115Ca -0.15 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 60.05 3hx6 s THR 1115Cb -0.09 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 3hx6 s THR 1115CO -0.01 0.01 1.08 -0.70 -2.21 0.00 0.00 174.62 172.79 3hx6 s GLU 1116N 0.30 4.49 0.25 7.08 2.12 -0.64 -0.93 118.70 131.37 3hx6 s GLU 1116Ca -0.01 1.57 0.12 0.00 0.36 0.00 0.00 54.97 57.01 3hx6 s GLU 1116Cb -0.03 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 3hx6 s GLU 1116CO -0.01 -0.18 -0.21 -0.65 -0.54 0.00 0.00 175.26 173.67 3hx6 s GLN 1117N 1.19 1.61 1.11 4.30 -0.21 0.07 -4.73 119.66 123.00 3hx6 s GLN 1117Ca 0.55 -1.68 -0.15 0.00 0.02 0.00 0.00 55.36 54.10 3hx6 s GLN 1117Cb -0.24 -1.76 0.18 0.00 1.00 0.00 0.00 33.01 32.18 3hx6 s GLN 1117CO 0.27 0.35 0.56 1.63 -2.12 0.00 0.00 175.29 175.98 3hx6 n LYS 1118N -0.31 -1.71 -0.00 2.91 5.02 -1.26 -4.06 118.16 118.76 3hx6 n LYS 1118Ca -0.08 -0.47 -0.00 0.00 -2.02 0.00 0.00 58.31 55.74 3hx6 n LYS 1118Cb 0.59 -1.97 -0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3hx6 n LYS 1118CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hx6 n GLY 1119N 1.41 -0.00 2.39 0.72 0.00 -1.26 -4.70 105.19 103.74 3hx6 n GLY 1119Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3hx6 n GLY 1119CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hx6 n LEU 1120N 0.00 -1.23 0.00 0.99 4.32 -1.26 -4.60 117.00 115.22 3hx6 n LEU 1120Ca 0.00 0.73 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 3hx6 n LEU 1120Cb 0.00 -0.66 0.00 0.00 -1.62 0.00 0.00 43.42 41.14 3hx6 n LEU 1120CO 0.00 -2.38 0.00 0.61 -1.22 0.00 0.00 177.39 174.40 3hx6 n GLY 1121N 1.49 0.60 1.17 -0.72 0.00 -1.26 -4.86 105.19 101.60 3hx6 n GLY 1121Ca 0.11 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.29 3hx6 n GLY 1121CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 1122N 0.00 -1.80 3.35 -0.02 0.00 -1.26 -4.69 105.19 100.77 3hx6 n GLY 1122Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3hx6 n GLY 1122CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hx6 s LEU 1123N -6.19 2.41 0.02 0.99 1.43 -1.26 -3.87 118.68 112.21 3hx6 s LEU 1123Ca 0.00 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 3hx6 s LEU 1123Cb 0.00 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 3hx6 s LEU 1123CO 0.00 0.25 -0.12 -0.89 0.23 0.00 0.00 176.35 175.82 3hx6 s THR 1124N -0.20 0.96 -0.17 5.49 2.01 -0.02 -4.97 115.64 118.75 3hx6 s THR 1124Ca -0.01 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 3hx6 s THR 1124Cb -0.13 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 3hx6 s THR 1124CO 0.03 0.07 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.76 3hx6 s LEU 1125N -0.80 3.03 0.00 4.42 1.98 -1.26 -0.42 118.68 125.62 3hx6 s LEU 1125Ca 0.02 -0.24 0.02 0.00 -2.89 0.00 0.00 54.13 51.03 3hx6 s LEU 1125Cb -0.06 -1.73 -0.01 0.00 0.66 0.00 0.00 46.19 45.05 3hx6 s LEU 1125CO 0.00 0.12 0.17 -1.54 -1.89 0.00 0.00 176.35 173.22 3hx6 n SER 1126N 3.85 -0.45 -3.96 3.68 3.41 0.10 -4.98 113.62 115.27 3hx6 n SER 1126Ca -0.18 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.21 3hx6 n SER 1126Cb 0.52 0.94 -0.16 0.00 -0.26 0.00 0.00 64.21 65.24 3hx6 n SER 1126CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hx6 s THR 1127N -2.61 1.36 0.26 6.66 2.01 -1.26 0.55 115.64 122.60 3hx6 s THR 1127Ca 0.16 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 3hx6 s THR 1127Cb 0.00 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 71.04 3hx6 s THR 1127CO 0.11 0.31 1.13 0.21 -0.69 0.00 0.00 174.62 175.70 3hx6 s ASN 1128N 1.55 7.20 -0.94 3.53 2.47 -0.06 -4.80 114.94 123.90 3hx6 s ASN 1128Ca 0.03 2.28 -0.12 0.00 0.42 0.00 0.00 52.86 55.47 3hx6 s ASN 1128Cb -0.14 -2.62 -0.30 0.00 -1.45 0.00 0.00 41.25 36.74 3hx6 s ASN 1128CO -0.09 -0.21 2.17 1.21 -3.72 0.00 0.00 177.10 176.46 3hx6 n GLU 1129N 1.44 0.10 0.00 0.43 4.07 -1.26 -2.23 120.64 123.19 3hx6 n GLU 1129Ca 0.00 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 3hx6 n GLU 1129Cb 0.45 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.31 3hx6 n GLU 1129CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hx6 n GLN 1130N 6.10 0.00 -0.77 5.31 10.64 -1.26 -4.92 117.38 132.48 3hx6 n GLN 1130Ca 0.62 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.79 3hx6 n GLN 1130Cb 0.20 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.58 3hx6 n GLN 1130CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hx6 n GLY 1131N 0.00 0.91 3.68 2.61 0.00 -0.95 -4.99 105.19 106.45 3hx6 n GLY 1131Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hx6 n GLY 1131CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hx6 s ASN 1132N -2.82 7.05 0.31 1.61 0.01 -1.22 -4.90 114.94 114.98 3hx6 s ASN 1132Ca 0.00 1.28 -0.29 0.00 -0.71 0.00 0.00 52.86 53.15 3hx6 s ASN 1132Cb 0.00 -2.48 -0.10 0.00 0.41 0.00 0.00 41.25 39.08 3hx6 s ASN 1132CO 0.00 -0.38 1.19 -2.16 -1.51 0.00 0.00 177.10 174.24 3hx6 s PRO 1133N 1.95 4.46 0.08 -0.60 0.04 -1.26 -0.88 135.00 138.79 3hx6 s PRO 1133Ca 0.41 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.46 3hx6 s PRO 1133Cb -0.17 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 3hx6 s PRO 1133CO 0.15 -0.01 -0.11 -1.21 0.04 0.00 0.00 177.00 175.86 3hx6 s GLU 1134N -1.68 0.78 -0.13 4.56 2.02 0.19 -0.87 118.70 123.57 3hx6 s GLU 1134Ca 0.48 -1.01 0.03 0.00 0.02 0.00 0.00 54.97 54.48 3hx6 s GLU 1134Cb -0.35 -0.60 0.00 0.00 0.10 0.00 0.00 34.13 33.29 3hx6 s GLU 1134CO 0.45 0.11 -0.21 0.54 0.02 0.00 0.00 175.26 176.17 3hx6 s VAL 1135N -1.81 2.20 0.21 2.63 0.11 -0.17 -0.72 120.40 122.84 3hx6 s VAL 1135Ca -0.00 -0.95 0.11 0.00 -2.93 0.00 0.00 61.98 58.21 3hx6 s VAL 1135Cb -0.07 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 3hx6 s VAL 1135CO 0.01 0.55 -0.21 0.00 -3.33 0.00 0.00 175.10 172.11 3hx6 n SER 1137N 0.06 0.05 -3.59 0.00 3.41 -1.12 -0.84 113.62 111.59 3hx6 n SER 1137Ca -0.11 0.06 -0.02 0.00 -0.26 0.00 0.00 58.87 58.54 3hx6 n SER 1137Cb 0.57 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 3hx6 n SER 1137CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hx6 s SER 1138N -4.53 -0.65 0.00 4.04 0.15 -1.26 -4.23 113.70 107.21 3hx6 s SER 1138Ca 0.00 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.64 3hx6 s SER 1138Cb 0.00 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 3hx6 s SER 1138CO 0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 3hx6 n GLY 1139N 4.25 0.80 3.16 9.45 0.00 -1.26 -4.41 105.19 117.18 3hx6 n GLY 1139Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3hx6 n GLY 1139CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hx6 s GLU 1140N 0.00 1.37 -0.00 1.61 0.41 -1.26 -5.12 118.70 115.70 3hx6 s GLU 1140Ca 0.00 -0.64 0.07 0.00 -0.41 0.00 0.00 54.97 53.99 3hx6 s GLU 1140Cb 0.00 -1.34 -0.02 0.00 -1.78 0.00 0.00 34.13 30.99 3hx6 s GLU 1140CO 0.00 0.36 -0.23 0.00 -0.49 0.00 0.00 175.26 174.90 3hx6 s LEU 1142N -0.89 1.85 0.30 0.00 1.43 0.79 -4.93 118.68 117.23 3hx6 s LEU 1142Ca 0.11 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 3hx6 s LEU 1142Cb -0.10 -1.23 -0.11 0.00 0.03 0.00 0.00 46.19 44.77 3hx6 s LEU 1142CO 0.01 0.02 1.53 -0.89 0.23 0.00 0.00 176.35 177.24 3hx6 s THR 1143N 1.05 2.23 0.17 5.49 2.01 -1.26 -1.00 115.64 124.32 3hx6 s THR 1143Ca -0.04 0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.25 3hx6 s THR 1143Cb -0.15 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3hx6 s THR 1143CO -0.04 0.04 -0.20 0.68 -0.69 0.00 0.00 174.62 174.40 3hx6 s VAL 1144N -0.27 1.98 -0.32 3.82 -7.23 -0.05 -1.34 120.40 116.99 3hx6 s VAL 1144Ca 0.60 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3hx6 s VAL 1144Cb -0.46 -1.90 0.07 0.00 0.56 0.00 0.00 36.38 34.66 3hx6 s VAL 1144CO 0.50 -0.22 0.03 0.21 -0.31 0.00 0.00 175.10 175.31 3hx6 s ASN 1145N -2.58 4.86 0.36 4.85 2.47 0.19 -4.47 114.94 120.62 3hx6 s ASN 1145Ca 0.16 -1.64 0.24 0.00 0.42 0.00 0.00 52.86 52.05 3hx6 s ASN 1145Cb -0.07 -1.69 1.30 0.00 -1.45 0.00 0.00 41.25 39.34 3hx6 s ASN 1145CO 0.07 -0.33 1.74 -0.65 -3.72 0.00 0.00 177.10 174.21 3hx6 h PRO 1146N 7.89 0.00 0.00 0.43 0.11 -1.88 -3.42 132.00 135.13 3hx6 h PRO 1146Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3hx6 h PRO 1146Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hx6 h PRO 1146CO 0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 3hx6 n GLY 1147N -1.20 3.60 0.00 -0.55 0.00 -1.26 0.13 105.19 105.90 3hx6 n GLY 1147Ca -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3hx6 n GLY 1147CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77