#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqx n VAL 651 N 0.00 0.82 0.23 2.03 0.31 -1.26 -2.48 118.33 117.98 2aqx n VAL 651 Ca 0.00 0.21 0.10 0.00 -0.01 0.00 0.00 64.34 64.63 2aqx n VAL 651 Cb 0.00 -1.15 0.53 0.00 -0.91 0.00 0.00 33.84 32.30 2aqx n VAL 651 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2aqx h GLN 652 N 0.00 0.00 0.00 5.55 5.75 -2.07 -3.38 115.11 120.96 2aqx h GLN 652 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2aqx h GLN 652 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 2aqx h GLN 652 CO 0.00 0.22 0.00 -2.67 -2.65 0.00 0.00 178.83 173.73 2aqx n TRP 653 N -3.54 0.00 -3.93 3.99 4.27 -1.04 -5.03 117.44 112.16 2aqx n TRP 653 Ca -0.01 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.30 2aqx n TRP 653 Cb 0.37 0.00 -0.15 0.00 -1.36 0.00 0.00 31.31 30.17 2aqx n TRP 653 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2aqx s SER 654 N 0.00 4.50 0.31 -0.67 0.15 -1.22 -4.96 113.70 111.81 2aqx s SER 654 Ca 0.00 -1.95 0.09 0.00 0.70 0.00 0.00 55.95 54.79 2aqx s SER 654 Cb 0.00 -1.38 0.49 0.00 -1.71 0.00 0.00 66.02 63.42 2aqx s SER 654 CO 0.00 -0.38 1.71 1.55 1.20 0.00 0.00 173.24 177.32 2aqx h PRO 655 N 7.77 0.12 -3.41 5.44 0.13 -1.92 -3.45 132.00 136.68 2aqx h PRO 655 Ca -0.08 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2aqx h PRO 655 Cb 1.02 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.08 2aqx h PRO 655 CO 0.50 0.56 0.01 -0.59 -0.23 0.00 0.00 178.00 178.25 2aqx s PHE 656 N -4.01 0.17 0.07 1.56 -0.12 -1.26 -5.17 117.98 109.22 2aqx s PHE 656 Ca -0.03 -0.57 -0.13 0.00 -0.05 0.00 0.00 56.93 56.15 2aqx s PHE 656 Cb 0.13 0.38 -0.06 0.00 -0.63 0.00 0.00 43.02 42.84 2aqx s PHE 656 CO 0.76 -1.09 0.45 0.08 -0.05 0.00 0.00 175.22 175.37 2aqx s VAL 657 N -3.96 5.00 0.15 -2.49 1.01 -1.26 -5.11 120.40 113.74 2aqx s VAL 657 Ca 0.18 0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.93 2aqx s VAL 657 Cb -0.03 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2aqx s VAL 657 CO 0.08 0.38 -0.00 -0.04 0.00 0.00 0.00 175.10 175.52 2aqx s MET 658 N -1.64 2.42 0.08 2.72 -1.94 -1.26 -5.13 119.30 114.56 2aqx s MET 658 Ca 0.31 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 53.27 2aqx s MET 658 Cb -0.15 -2.39 -0.04 0.00 2.01 0.00 0.00 34.83 34.26 2aqx s MET 658 CO 0.17 0.47 -0.08 -1.54 -0.01 0.00 0.00 175.02 174.04 2aqx s SER 659 N -2.78 1.15 0.04 3.03 1.04 -1.26 -5.16 113.70 109.76 2aqx s SER 659 Ca 0.27 -0.82 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 2aqx s SER 659 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2aqx s SER 659 CO 0.18 -0.33 0.17 0.72 0.98 0.00 0.00 173.24 174.96 2aqx s PHE 660 N -2.64 0.08 -0.07 5.02 -0.71 -1.26 -5.14 117.98 113.27 2aqx s PHE 660 Ca 0.04 -0.31 -0.25 0.00 -1.04 0.00 0.00 56.93 55.37 2aqx s PHE 660 Cb -0.01 -0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 2aqx s PHE 660 CO -0.02 -0.41 0.75 0.15 -1.34 0.00 0.00 175.22 174.36 2aqx s LYS 661 N -2.50 4.44 -0.11 1.99 -0.14 -1.26 -5.03 119.74 117.13 2aqx s LYS 661 Ca -0.06 0.97 -0.21 0.00 -1.36 0.00 0.00 55.97 55.31 2aqx s LYS 661 Cb -0.01 -3.46 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2aqx s LYS 661 CO -0.04 0.01 0.61 0.21 -0.76 0.00 0.00 175.35 175.38 2aqx s LYS 662 N 0.97 4.37 -0.10 1.68 2.20 -1.26 -5.06 119.74 122.54 2aqx s LYS 662 Ca 0.40 0.69 0.03 0.00 -0.36 0.00 0.00 55.97 56.72 2aqx s LYS 662 Cb -0.18 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2aqx s LYS 662 CO 0.19 0.04 -0.18 0.21 -0.36 0.00 0.00 175.35 175.25 2aqx s LYS 663 N 0.94 2.42 -0.11 4.03 2.20 -1.26 -5.13 119.74 122.84 2aqx s LYS 663 Ca 0.32 -0.65 -0.17 0.00 -0.36 0.00 0.00 55.97 55.11 2aqx s LYS 663 Cb -0.16 -1.95 0.04 0.00 -1.51 0.00 0.00 37.83 34.25 2aqx s LYS 663 CO 0.14 0.04 0.43 1.52 -0.36 0.00 0.00 175.35 177.11 2aqx s TYR 664 N 0.70 -0.41 0.13 4.03 -0.85 -1.26 -5.12 117.35 114.57 2aqx s TYR 664 Ca -0.12 0.89 -0.31 0.00 -0.52 0.00 0.00 57.07 57.01 2aqx s TYR 664 Cb -0.16 0.17 -0.10 0.00 0.38 0.00 0.00 41.96 42.25 2aqx s TYR 664 CO 0.03 -0.32 1.63 -1.25 -1.52 0.00 0.00 175.55 174.12 2aqx s PRO 665 N -0.40 4.19 0.67 -3.49 0.04 -1.26 -5.02 135.00 129.74 2aqx s PRO 665 Ca -0.05 2.40 -0.14 0.00 0.04 0.00 0.00 61.00 63.24 2aqx s PRO 665 Cb -0.03 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.18 2aqx s PRO 665 CO 0.03 -0.68 1.11 -0.46 0.04 0.00 0.00 177.00 177.03 2aqx s TRP 666 N 1.77 2.63 -0.17 0.56 -0.00 -1.26 -5.06 118.94 117.41 2aqx s TRP 666 Ca 0.73 1.55 0.01 0.00 -0.00 0.00 0.00 56.10 58.39 2aqx s TRP 666 Cb -0.43 -3.15 0.02 0.00 -0.00 0.00 0.00 33.47 29.91 2aqx s TRP 666 CO 0.32 -1.68 -0.19 0.42 -0.00 0.00 0.00 176.95 175.81 2aqx s ILE 667 N -2.41 2.00 -0.36 5.86 1.01 -1.26 -5.08 121.20 120.96 2aqx s ILE 667 Ca 0.66 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 2aqx s ILE 667 Cb -0.20 -1.81 0.07 0.00 0.01 0.00 0.00 42.46 40.53 2aqx s ILE 667 CO 0.43 0.53 0.13 -1.58 0.00 0.00 0.00 174.94 174.45 2aqx s GLN 668 N 1.28 2.33 -0.03 2.79 0.74 -1.26 -5.02 119.66 120.49 2aqx s GLN 668 Ca 0.04 -1.48 -0.03 0.00 0.05 0.00 0.00 55.36 53.94 2aqx s GLN 668 Cb -0.13 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 2aqx s GLN 668 CO -0.12 -0.84 0.23 -0.07 -0.55 0.00 0.00 175.29 173.94 2aqx h LEU 669 N 8.11 -0.10 0.00 3.68 3.38 -1.98 -3.49 115.31 124.92 2aqx h LEU 669 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2aqx h LEU 669 Cb 1.06 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2aqx h LEU 669 CO 0.64 0.11 0.00 0.00 0.09 0.00 0.00 178.44 179.28 2aqx n ALA 670 N -2.34 0.00 0.00 1.53 0.00 -1.26 -4.90 120.51 113.54 2aqx n ALA 670 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2aqx n ALA 670 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2aqx n ALA 670 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqx n GLY 671 N 5.00 -1.78 3.95 0.00 0.00 -1.26 -5.00 105.19 106.10 2aqx n GLY 671 Ca 0.00 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 2aqx n GLY 671 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aqx s HIS 672 N -2.15 3.31 0.34 1.61 3.76 -1.26 -5.05 115.29 115.84 2aqx s HIS 672 Ca 0.00 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 2aqx s HIS 672 Cb 0.00 -2.12 -0.11 0.00 1.11 0.00 0.00 32.58 31.45 2aqx s HIS 672 CO 0.00 -0.15 1.53 0.00 -0.85 0.00 0.00 174.74 175.27 2aqx n ALA 673 N -1.92 2.41 -1.14 -1.40 0.00 -1.26 -2.56 120.51 114.64 2aqx n ALA 673 Ca -0.01 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.74 2aqx n ALA 673 Cb 0.57 -2.43 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 2aqx n ALA 673 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqx n GLY 674 N 1.22 0.71 0.10 0.00 0.00 -1.26 -4.89 105.19 101.06 2aqx n GLY 674 Ca 0.05 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.31 2aqx n GLY 674 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2aqx h SER 675 N 0.00 0.00 -4.79 1.61 0.02 -1.89 -3.44 113.55 105.06 2aqx h SER 675 Ca -0.09 -0.10 -0.26 0.00 -0.84 0.00 0.00 61.79 60.50 2aqx h SER 675 Cb 0.29 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.62 2aqx h SER 675 CO 0.13 0.05 -0.73 -0.36 -1.14 0.00 0.00 176.83 174.78 2aqx s PHE 676 N -3.27 0.60 0.06 3.45 0.40 -1.26 -0.07 117.98 117.88 2aqx s PHE 676 Ca 0.03 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 2aqx s PHE 676 Cb 0.11 -0.36 -0.03 0.00 0.51 0.00 0.00 43.02 43.25 2aqx s PHE 676 CO 0.75 -0.10 -0.07 0.15 0.70 0.00 0.00 175.22 176.66 2aqx s LYS 677 N -1.53 0.60 0.34 0.44 3.01 -0.35 -4.99 119.74 117.26 2aqx s LYS 677 Ca -0.11 -0.95 -0.29 0.00 -1.01 0.00 0.00 55.97 53.62 2aqx s LYS 677 Cb -0.10 -0.18 -0.11 0.00 -1.01 0.00 0.00 37.83 36.42 2aqx s LYS 677 CO 0.00 0.01 1.52 0.00 0.51 0.00 0.00 175.35 177.39 2aqx n ALA 678 N 0.93 2.38 -2.44 5.17 0.00 -1.26 -1.36 120.51 123.93 2aqx n ALA 678 Ca -0.19 0.35 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 2aqx n ALA 678 Cb 0.57 -2.43 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 2aqx n ALA 678 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqx s ALA 679 N -0.69 2.45 0.66 0.00 0.00 -0.55 -4.67 121.76 118.96 2aqx s ALA 679 Ca 0.57 -1.68 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 2aqx s ALA 679 Cb -0.49 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2aqx s ALA 679 CO 0.58 -0.36 1.02 0.00 0.00 0.00 0.00 175.76 177.00 2aqx s ALA 680 N -3.36 3.05 -0.85 0.00 0.00 -1.26 -4.12 121.76 115.21 2aqx s ALA 680 Ca 0.32 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 2aqx s ALA 680 Cb 0.06 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2aqx s ALA 680 CO 0.15 -0.98 0.13 0.09 0.00 0.00 0.00 175.76 175.15 2aqx n ASN 681 N -2.84 -3.63 -0.55 0.00 3.02 -1.26 -2.11 115.26 107.88 2aqx n ASN 681 Ca 0.06 -0.07 -0.07 0.00 -0.03 0.00 0.00 54.58 54.47 2aqx n ASN 681 Cb 0.57 -2.74 -0.03 0.00 -0.61 0.00 0.00 39.78 36.97 2aqx n ASN 681 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2aqx n GLY 682 N -1.06 0.93 3.81 7.41 0.00 -1.26 -4.98 105.19 110.03 2aqx n GLY 682 Ca -0.10 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 2aqx n GLY 682 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqx s ARG 683 N -2.54 2.60 0.01 1.61 0.52 -0.90 0.31 118.95 120.57 2aqx s ARG 683 Ca 0.00 -1.37 -0.04 0.00 -0.52 0.00 0.00 55.73 53.80 2aqx s ARG 683 Cb 0.00 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 2aqx s ARG 683 CO 0.00 0.12 0.06 -1.50 0.02 0.00 0.00 175.30 174.00 2aqx s ILE 684 N -2.34 0.09 -0.08 1.52 1.10 0.12 -1.48 121.20 120.12 2aqx s ILE 684 Ca 0.39 -0.70 -0.01 0.00 -0.51 0.00 0.00 60.65 59.82 2aqx s ILE 684 Cb -0.05 -0.32 -0.03 0.00 0.15 0.00 0.00 42.46 42.21 2aqx s ILE 684 CO 0.25 -0.39 -0.03 -0.76 -2.11 0.00 0.00 174.94 171.90 2aqx s LEU 685 N -1.25 3.39 0.00 8.50 1.43 -0.46 -0.58 118.68 129.71 2aqx s LEU 685 Ca -0.14 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2aqx s LEU 685 Cb -0.08 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2aqx s LEU 685 CO 0.00 0.36 -0.23 -0.75 0.23 0.00 0.00 176.35 175.96 2aqx s LYS 686 N -0.78 1.79 0.35 1.70 2.20 0.05 -1.21 119.74 123.84 2aqx s LYS 686 Ca 0.12 -0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 54.55 2aqx s LYS 686 Cb -0.11 -1.80 -0.11 0.00 -1.51 0.00 0.00 37.83 34.30 2aqx s LYS 686 CO 0.02 0.48 1.53 0.21 -0.36 0.00 0.00 175.35 177.24 2aqx s LYS 687 N -0.76 4.11 0.33 4.03 2.20 0.90 0.02 119.74 130.57 2aqx s LYS 687 Ca 0.09 2.58 -0.29 0.00 -0.36 0.00 0.00 55.97 58.00 2aqx s LYS 687 Cb -0.09 -2.99 -0.10 0.00 -1.51 0.00 0.00 37.83 33.14 2aqx s LYS 687 CO 0.00 -0.58 1.35 -1.58 -0.36 0.00 0.00 175.35 174.18 2aqx s HIS 688 N -0.69 2.96 -0.01 4.03 5.65 0.87 -4.57 115.29 123.53 2aqx s HIS 688 Ca 0.57 1.34 0.01 0.00 0.25 0.00 0.00 55.06 57.23 2aqx s HIS 688 Cb -0.47 -3.75 0.01 0.00 -1.18 0.00 0.00 32.58 27.18 2aqx s HIS 688 CO 0.58 -2.12 -0.01 0.00 -0.65 0.00 0.00 174.74 172.53 2aqx h GLU 690 N 6.44 0.50 0.00 0.00 4.57 -1.95 -2.09 114.58 122.04 2aqx h GLU 690 Ca -0.31 -0.40 -0.10 0.00 -1.18 0.00 0.00 59.36 57.37 2aqx h GLU 690 Cb 1.18 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2aqx h GLU 690 CO 0.50 1.03 -0.48 0.66 -1.18 0.00 0.00 179.01 179.54 2aqx h SER 691 N 0.09 0.00 -0.31 1.04 4.64 -1.90 -2.26 113.55 114.84 2aqx h SER 691 Ca -0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 2aqx h SER 691 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2aqx h SER 691 CO 0.10 0.48 0.05 -0.08 -0.87 0.00 0.00 176.83 176.52 2aqx h GLU 692 N 0.00 0.51 -0.48 4.77 4.81 -1.66 -1.24 114.58 121.30 2aqx h GLU 692 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2aqx h GLU 692 Cb 1.11 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2aqx h GLU 692 CO 0.06 0.60 0.31 0.37 -0.73 0.00 0.00 179.01 179.63 2aqx h GLN 693 N 0.34 0.64 -0.84 1.92 4.15 -1.27 0.78 115.11 120.83 2aqx h GLN 693 Ca 0.09 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.51 2aqx h GLN 693 Cb 0.34 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 2aqx h GLN 693 CO 0.01 0.44 0.55 0.00 -1.93 0.00 0.00 178.83 177.89 2aqx h ARG 694 N 0.65 0.98 0.13 1.69 3.08 -1.37 -1.62 114.38 117.92 2aqx h ARG 694 Ca 0.17 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2aqx h ARG 694 Cb -0.05 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.78 2aqx h ARG 694 CO -0.04 0.65 -0.06 0.00 -1.07 0.00 0.00 179.97 179.45 2aqx h LEU 696 N -0.44 0.40 -0.56 0.00 3.38 -0.54 0.14 115.31 117.69 2aqx h LEU 696 Ca -0.02 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.03 2aqx h LEU 696 Cb 0.36 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 2aqx h LEU 696 CO 0.03 0.32 -0.09 0.44 0.09 0.00 0.00 178.44 179.22 2aqx h ASP 697 N 0.46 -0.43 -0.48 -0.43 3.32 -1.42 0.50 116.42 117.93 2aqx h ASP 697 Ca 0.12 0.16 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 2aqx h ASP 697 Cb -0.02 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2aqx h ASP 697 CO -0.03 -0.16 -0.20 0.03 -1.72 0.00 0.00 179.24 177.16 2aqx h ARG 698 N 0.03 0.99 0.00 3.56 2.47 -1.20 -2.61 114.38 117.63 2aqx h ARG 698 Ca 0.28 -0.41 -0.08 0.00 -1.26 0.00 0.00 59.98 58.50 2aqx h ARG 698 Cb 0.43 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 2aqx h ARG 698 CO -0.55 1.09 -0.38 -0.07 0.56 0.00 0.00 179.97 180.63 2aqx h LEU 699 N 0.86 0.00 -0.53 3.04 3.38 -0.32 -1.75 115.31 119.99 2aqx h LEU 699 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2aqx h LEU 699 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2aqx h LEU 699 CO 0.06 0.38 0.00 0.23 0.09 0.00 0.00 178.44 179.20 2aqx n MET 700 N -3.82 0.12 -1.39 1.13 2.81 0.17 -2.90 117.12 113.24 2aqx n MET 700 Ca -0.01 0.40 -0.10 0.00 -1.81 0.00 0.00 57.70 56.18 2aqx n MET 700 Cb 0.45 -1.74 0.11 0.00 -0.71 0.00 0.00 33.22 31.32 2aqx n MET 700 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2aqx n ALA 701 N -1.67 4.39 -2.12 3.04 0.00 -0.66 -4.94 120.51 118.54 2aqx n ALA 701 Ca 0.02 -3.56 -0.08 0.00 0.00 0.00 0.00 53.44 49.82 2aqx n ALA 701 Cb 0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 2aqx n ALA 701 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2aqx s ASP 702 N -3.43 0.43 0.55 0.00 2.15 -1.14 -5.02 116.67 110.21 2aqx s ASP 702 Ca 0.45 -1.04 0.27 0.00 0.43 0.00 0.00 52.55 52.66 2aqx s ASP 702 Cb 0.39 0.23 1.46 0.00 -0.30 0.00 0.00 42.92 44.70 2aqx s ASP 702 CO -0.01 -0.64 1.99 -0.37 -0.17 0.00 0.00 175.17 175.97 2aqx h VAL 703 N 3.07 0.61 0.00 1.11 -1.51 -1.91 -1.87 116.25 115.75 2aqx h VAL 703 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2aqx h VAL 703 Cb 1.16 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2aqx h VAL 703 CO 0.64 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 177.16 2aqx n LEU 704 N -4.15 0.08 -0.34 4.19 4.77 -1.26 -3.98 117.00 116.30 2aqx n LEU 704 Ca 0.09 0.52 0.02 0.00 -0.03 0.00 0.00 56.01 56.60 2aqx n LEU 704 Cb 0.59 -0.51 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2aqx n LEU 704 CO 0.34 -0.26 0.64 -0.09 -1.33 0.00 0.00 177.39 176.69 2aqx h ARG 705 N 0.00 -0.02 0.00 3.23 2.43 -1.36 -0.63 114.38 118.03 2aqx h ARG 705 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2aqx h ARG 705 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2aqx h ARG 705 CO 0.00 -0.01 0.00 -0.35 -1.51 0.00 0.00 179.97 178.10 2aqx n PRO 706 N -5.54 0.30 -0.22 0.20 -0.04 -1.26 -2.33 135.00 126.11 2aqx n PRO 706 Ca 0.12 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2aqx n PRO 706 Cb 0.44 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.56 2aqx n PRO 706 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2aqx n PHE 707 N -1.15 0.49 -4.23 0.54 3.01 -0.24 -4.98 117.46 110.90 2aqx n PHE 707 Ca 0.08 -0.67 -0.16 0.00 1.01 0.00 0.00 57.45 57.71 2aqx n PHE 707 Cb 0.08 -0.13 -0.11 0.00 -0.01 0.00 0.00 39.48 39.31 2aqx n PHE 707 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2aqx s VAL 708 N -1.77 1.20 0.24 -4.37 -7.23 -0.98 -0.35 120.40 107.13 2aqx s VAL 708 Ca 0.26 -1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 2aqx s VAL 708 Cb 0.19 -1.58 -0.12 0.00 0.56 0.00 0.00 36.38 35.42 2aqx s VAL 708 CO 0.10 -0.55 1.64 -2.65 -0.31 0.00 0.00 175.10 173.33 2aqx n PRO 709 N 0.32 2.63 -1.66 4.82 -0.02 -1.26 -4.88 135.00 134.95 2aqx n PRO 709 Ca -0.14 0.94 -0.47 0.00 -2.02 0.00 0.00 63.50 61.82 2aqx n PRO 709 Cb 0.58 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 2aqx n PRO 709 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aqx n ALA 710 N 3.11 1.01 -2.80 3.55 0.00 -1.26 -4.74 120.51 119.38 2aqx n ALA 710 Ca 0.13 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 53.67 2aqx n ALA 710 Cb 0.35 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.42 2aqx n ALA 710 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2aqx s TYR 711 N 0.75 3.44 -0.08 0.00 5.04 -1.26 -2.07 117.35 123.16 2aqx s TYR 711 Ca 0.78 0.36 0.12 0.00 -2.44 0.00 0.00 57.07 55.89 2aqx s TYR 711 Cb -0.71 -2.02 0.18 0.00 0.35 0.00 0.00 41.96 39.76 2aqx s TYR 711 CO 0.40 0.48 1.08 0.72 -1.34 0.00 0.00 175.55 176.89 2aqx n HIS 712 N 2.73 0.00 -2.19 4.97 8.25 -0.64 -5.02 115.22 123.32 2aqx n HIS 712 Ca -0.18 -0.77 0.00 0.00 -0.26 0.00 0.00 57.72 56.51 2aqx n HIS 712 Cb 0.53 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2aqx n HIS 712 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aqx n GLY 713 N -1.04 -1.94 3.69 -1.41 0.00 -1.26 -4.84 105.19 98.39 2aqx n GLY 713 Ca 0.10 -1.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.15 2aqx n GLY 713 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2aqx s ASP 714 N -3.94 4.25 -0.27 1.61 -4.77 -1.26 0.30 116.67 112.59 2aqx s ASP 714 Ca 0.00 -1.13 -0.25 0.00 -3.30 0.00 0.00 52.55 47.87 2aqx s ASP 714 Cb 0.00 -0.47 0.07 0.00 -1.09 0.00 0.00 42.92 41.43 2aqx s ASP 714 CO 0.00 -0.46 0.72 0.54 0.70 0.00 0.00 175.17 176.67 2aqx s VAL 715 N -2.61 0.00 -0.31 2.11 0.11 0.35 -4.88 120.40 115.16 2aqx s VAL 715 Ca 0.38 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.29 2aqx s VAL 715 Cb 0.05 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2aqx s VAL 715 CO 0.21 0.00 0.35 -0.69 -3.33 0.00 0.00 175.10 171.64 2aqx s VAL 716 N 0.35 5.18 -0.04 2.04 1.01 -1.26 0.10 120.40 127.78 2aqx s VAL 716 Ca -0.00 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.26 2aqx s VAL 716 Cb -0.05 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2aqx s VAL 716 CO 0.01 0.02 -0.21 -0.54 0.00 0.00 0.00 175.10 174.38 2aqx s LYS 717 N 2.02 2.10 -1.13 2.72 1.02 0.60 -4.92 119.74 122.15 2aqx s LYS 717 Ca 0.12 -0.76 -0.25 0.00 0.02 0.00 0.00 55.97 55.10 2aqx s LYS 717 Cb -0.16 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.33 2aqx s LYS 717 CO 0.11 0.34 0.72 -3.47 -0.92 0.00 0.00 175.35 172.13 2aqx n ASP 718 N 2.96 -4.76 -0.05 2.83 2.03 -1.26 -0.71 116.55 117.59 2aqx n ASP 718 Ca -0.17 -1.13 -0.01 0.00 0.52 0.00 0.00 54.79 54.00 2aqx n ASP 718 Cb 0.52 -2.38 -0.00 0.00 -0.72 0.00 0.00 41.12 38.54 2aqx n ASP 718 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2aqx n GLY 719 N -1.89 0.34 2.98 0.27 0.00 -1.26 -5.01 105.19 100.63 2aqx n GLY 719 Ca -0.12 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2aqx n GLY 719 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqx s GLU 720 N -1.00 0.32 -0.14 1.61 0.41 0.11 -5.15 118.70 114.86 2aqx s GLU 720 Ca 0.00 -0.57 -0.07 0.00 -0.41 0.00 0.00 54.97 53.92 2aqx s GLU 720 Cb 0.00 0.03 -0.04 0.00 -1.78 0.00 0.00 34.13 32.34 2aqx s GLU 720 CO 0.00 -0.03 0.12 0.50 -0.49 0.00 0.00 175.26 175.36 2aqx s ARG 721 N -1.33 3.62 0.05 1.61 3.52 -1.26 -0.29 118.95 124.86 2aqx s ARG 721 Ca -0.13 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.31 2aqx s ARG 721 Cb -0.09 -3.21 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2aqx s ARG 721 CO -0.01 0.62 -0.13 0.71 -0.81 0.00 0.00 175.30 175.68 2aqx s TYR 722 N -0.57 1.09 -0.17 5.12 2.02 0.29 -0.09 117.35 125.04 2aqx s TYR 722 Ca 0.12 -0.39 -0.20 0.00 -0.37 0.00 0.00 57.07 56.23 2aqx s TYR 722 Cb -0.12 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 2aqx s TYR 722 CO 0.02 0.02 0.58 -0.80 -1.57 0.00 0.00 175.55 173.80 2aqx s ASN 723 N -1.33 6.69 -0.07 2.29 0.01 0.10 -0.50 114.94 122.13 2aqx s ASN 723 Ca -0.01 0.83 -0.17 0.00 -0.71 0.00 0.00 52.86 52.80 2aqx s ASN 723 Cb -0.08 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 2aqx s ASN 723 CO 0.01 -0.18 0.44 -1.58 -1.51 0.00 0.00 177.10 174.28 2aqx s GLN 724 N 1.47 4.18 0.16 -0.60 0.74 0.15 -0.77 119.66 124.98 2aqx s GLN 724 Ca 0.28 0.41 -0.15 0.00 0.05 0.00 0.00 55.36 55.96 2aqx s GLN 724 Cb -0.16 -3.35 0.02 0.00 1.10 0.00 0.00 33.01 30.62 2aqx s GLN 724 CO 0.11 0.38 0.42 0.00 -0.55 0.00 0.00 175.29 175.64 2aqx s MET 725 N -0.08 1.20 0.39 1.67 0.23 0.25 -1.62 119.30 121.34 2aqx s MET 725 Ca 0.24 -0.88 -0.25 0.00 -1.03 0.00 0.00 55.69 53.77 2aqx s MET 725 Cb -0.16 0.47 -0.09 0.00 -1.53 0.00 0.00 34.83 33.52 2aqx s MET 725 CO 0.11 -0.48 1.16 -0.51 -2.03 0.00 0.00 175.02 173.27 2aqx s ASP 726 N -2.87 6.60 -0.51 -1.18 1.11 -0.88 0.12 116.67 119.06 2aqx s ASP 726 Ca 0.08 2.33 -0.24 0.00 0.18 0.00 0.00 52.55 54.90 2aqx s ASP 726 Cb 0.01 -2.61 0.04 0.00 1.07 0.00 0.00 42.92 41.42 2aqx s ASP 726 CO -0.06 -0.62 0.90 -0.62 1.18 0.00 0.00 175.17 175.95 2aqx s ASP 727 N -1.13 6.38 0.00 0.27 2.15 0.15 -4.70 116.67 119.79 2aqx s ASP 727 Ca 0.56 -0.22 0.01 0.00 0.43 0.00 0.00 52.55 53.33 2aqx s ASP 727 Cb -0.30 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 39.93 2aqx s ASP 727 CO 0.38 -1.12 0.91 0.18 -0.17 0.00 0.00 175.17 175.35 2aqx n LEU 728 N 7.23 0.00 0.08 -1.34 4.77 -1.26 -0.30 117.00 126.18 2aqx n LEU 728 Ca 0.03 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 2aqx n LEU 728 Cb 0.48 -0.38 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 2aqx n LEU 728 CO 0.63 -0.37 0.34 -0.07 -1.33 0.00 0.00 177.39 176.58 2aqx h LEU 729 N 0.00 0.00 -0.67 2.23 4.07 -1.94 -3.43 115.31 115.57 2aqx h LEU 729 Ca 0.00 -0.14 0.12 0.00 0.08 0.00 0.00 57.88 57.94 2aqx h LEU 729 Cb 0.01 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.62 2aqx h LEU 729 CO 0.00 0.07 -0.28 0.00 -1.08 0.00 0.00 178.44 177.16 2aqx h ALA 730 N 2.37 0.19 -0.63 1.53 0.00 -0.99 -2.58 119.26 119.15 2aqx h ALA 730 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 2aqx h ALA 730 Cb 0.82 0.71 -0.18 0.00 0.00 0.00 0.00 17.79 19.13 2aqx h ALA 730 CO 0.00 -0.56 0.24 -0.40 0.00 0.00 0.00 179.25 178.52 2aqx n ASP 731 N -5.46 3.20 -4.92 0.00 5.75 -1.26 -4.93 116.55 108.93 2aqx n ASP 731 Ca 0.07 -3.64 -0.28 0.00 -0.01 0.00 0.00 54.79 50.92 2aqx n ASP 731 Cb 0.37 -0.72 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 2aqx n ASP 731 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2aqx s PHE 732 N -3.23 3.48 -0.38 2.11 0.08 -0.97 -5.09 117.98 113.97 2aqx s PHE 732 Ca 0.50 0.45 -0.11 0.00 0.12 0.00 0.00 56.93 57.89 2aqx s PHE 732 Cb 0.44 -1.94 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2aqx s PHE 732 CO 0.05 0.32 0.22 -0.51 -0.10 0.00 0.00 175.22 175.21 2aqx s ASP 733 N -3.10 5.76 -0.85 1.36 1.11 -1.26 -4.65 116.67 115.04 2aqx s ASP 733 Ca 0.40 -1.03 -0.04 0.00 0.18 0.00 0.00 52.55 52.07 2aqx s ASP 733 Cb -0.11 -2.03 -0.01 0.00 1.07 0.00 0.00 42.92 41.84 2aqx s ASP 733 CO 0.29 -0.40 0.72 -1.20 1.18 0.00 0.00 175.17 175.76 2aqx n SER 734 N 5.01 -6.73 -4.77 0.27 7.64 -1.26 -3.91 113.62 109.87 2aqx n SER 734 Ca -0.12 -0.46 -0.38 0.00 1.01 0.00 0.00 58.87 58.92 2aqx n SER 734 Cb 0.46 -4.31 -0.00 0.00 -1.01 0.00 0.00 64.21 59.34 2aqx n SER 734 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2aqx s PRO 735 N -3.98 3.82 -0.04 1.43 0.04 -1.26 -4.50 135.00 130.51 2aqx s PRO 735 Ca 0.13 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 2aqx s PRO 735 Cb -0.03 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 2aqx s PRO 735 CO 0.79 -0.57 0.04 0.00 0.04 0.00 0.00 177.00 177.31 2aqx s VAL 737 N -1.06 0.53 -0.03 0.00 1.01 -0.89 -1.91 120.40 118.04 2aqx s VAL 737 Ca 0.19 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2aqx s VAL 737 Cb -0.12 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2aqx s VAL 737 CO 0.09 0.18 -0.12 -0.32 0.00 0.00 0.00 175.10 174.92 2aqx s MET 738 N 0.29 1.25 -0.31 2.72 1.75 0.12 -0.70 119.30 124.41 2aqx s MET 738 Ca -0.03 -0.43 -0.07 0.00 -1.25 0.00 0.00 55.69 53.91 2aqx s MET 738 Cb -0.08 -1.13 0.02 0.00 2.84 0.00 0.00 34.83 36.48 2aqx s MET 738 CO -0.00 0.18 0.09 0.34 -0.65 0.00 0.00 175.02 174.98 2aqx s ASP 739 N 0.08 5.20 -0.26 1.11 -1.08 -0.51 0.86 116.67 122.06 2aqx s ASP 739 Ca -0.02 -0.90 -0.07 0.00 -0.52 0.00 0.00 52.55 51.04 2aqx s ASP 739 Cb -0.09 -1.87 -0.01 0.00 -1.46 0.00 0.00 42.92 39.48 2aqx s ASP 739 CO 0.01 -0.25 0.07 0.00 0.52 0.00 0.00 175.17 175.51 2aqx s LYS 741 N 1.57 4.37 -0.01 0.00 2.20 0.14 -0.25 119.74 127.77 2aqx s LYS 741 Ca 0.05 1.42 -0.13 0.00 -0.36 0.00 0.00 55.97 56.95 2aqx s LYS 741 Cb -0.16 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 2aqx s LYS 741 CO 0.03 -0.41 0.37 -1.64 -0.36 0.00 0.00 175.35 173.34 2aqx s MET 742 N 2.34 3.84 0.00 4.03 -1.94 -0.54 -0.75 119.30 126.28 2aqx s MET 742 Ca 0.48 0.31 0.00 0.00 -1.71 0.00 0.00 55.69 54.78 2aqx s MET 742 Cb -0.18 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.47 2aqx s MET 742 CO 0.16 0.69 0.00 0.41 -0.01 0.00 0.00 175.02 176.26 2aqx n GLY 743 N 1.73 3.16 0.00 -0.03 0.00 0.67 -4.29 105.19 106.43 2aqx n GLY 743 Ca -0.14 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.05 2aqx n GLY 743 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aqx n VAL 744 N -0.81 0.00 -3.81 1.61 0.24 0.06 -3.72 118.33 111.91 2aqx n VAL 744 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2aqx n VAL 744 Cb 0.00 -0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 31.78 2aqx n VAL 744 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2aqx s ARG 745 N -2.27 0.65 0.00 7.34 0.52 -1.26 -4.20 118.95 119.73 2aqx s ARG 745 Ca 0.38 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 55.22 2aqx s ARG 745 Cb 0.21 0.28 0.07 0.00 0.52 0.00 0.00 34.95 36.03 2aqx s ARG 745 CO 0.41 -0.18 0.81 0.25 0.02 0.00 0.00 175.30 176.61 2aqx n THR 746 N 1.04 0.37 -4.31 0.02 -2.24 -1.26 -4.64 114.28 103.25 2aqx n THR 746 Ca -0.21 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 2aqx n THR 746 Cb 0.57 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 2aqx n THR 746 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2aqx s TYR 747 N -0.60 2.80 0.67 4.78 -0.85 -1.26 -4.67 117.35 118.21 2aqx s TYR 747 Ca 0.07 -0.12 -0.12 0.00 -0.52 0.00 0.00 57.07 56.38 2aqx s TYR 747 Cb 0.04 -1.50 -0.00 0.00 0.38 0.00 0.00 41.96 40.88 2aqx s TYR 747 CO 0.06 0.40 1.06 -0.51 -1.52 0.00 0.00 175.55 175.04 2aqx s LEU 748 N -1.94 3.24 0.21 -3.49 1.43 -1.26 -4.98 118.68 111.88 2aqx s LEU 748 Ca 0.20 1.69 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 2aqx s LEU 748 Cb -0.11 -4.51 0.21 0.00 0.03 0.00 0.00 46.19 41.81 2aqx s LEU 748 CO 0.12 -1.40 1.83 -0.33 0.23 0.00 0.00 176.35 176.80 2aqx h GLU 749 N -0.39 0.75 -0.28 1.70 5.08 -1.99 -2.36 114.58 117.10 2aqx h GLU 749 Ca -0.45 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 2aqx h GLU 749 Cb 1.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2aqx h GLU 749 CO 0.57 0.50 0.19 1.05 -1.00 0.00 0.00 179.01 180.31 2aqx h GLU 750 N 0.77 0.18 -0.48 2.33 4.11 -1.99 -1.59 114.58 117.90 2aqx h GLU 750 Ca 0.28 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.58 2aqx h GLU 750 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2aqx h GLU 750 CO -0.14 0.12 -0.17 0.93 0.07 0.00 0.00 179.01 179.82 2aqx h GLU 751 N 0.18 0.95 0.44 1.06 5.08 -1.81 -0.73 114.58 119.76 2aqx h GLU 751 Ca 0.12 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2aqx h GLU 751 Cb 0.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2aqx h GLU 751 CO -0.02 1.04 -0.21 1.25 -1.00 0.00 0.00 179.01 180.07 2aqx h LEU 752 N 0.83 -0.50 -0.73 1.33 5.85 -1.25 -2.17 115.31 118.67 2aqx h LEU 752 Ca 0.12 -0.10 0.16 0.00 0.84 0.00 0.00 57.88 58.90 2aqx h LEU 752 Cb 0.73 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.76 2aqx h LEU 752 CO 0.06 -0.11 -0.01 0.74 -0.34 0.00 0.00 178.44 178.78 2aqx h THR 753 N -0.98 0.36 -0.46 1.05 2.02 -1.26 0.27 112.91 113.91 2aqx h THR 753 Ca -0.06 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.11 2aqx h THR 753 Cb 0.57 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2aqx h THR 753 CO 0.10 0.02 0.26 0.50 0.37 0.00 0.00 175.52 176.76 2aqx h LYS 754 N 0.10 0.50 -0.07 6.66 3.11 -1.17 -2.58 116.57 123.11 2aqx h LYS 754 Ca 0.39 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 58.12 2aqx h LYS 754 Cb 0.68 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 2aqx h LYS 754 CO -0.65 0.33 -0.33 0.00 -2.81 0.00 0.00 179.45 175.98 2aqx h ALA 755 N 1.22 1.31 0.00 5.00 0.00 -0.10 -2.39 119.26 124.30 2aqx h ALA 755 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2aqx h ALA 755 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2aqx h ALA 755 CO -0.11 0.49 0.00 -2.13 0.00 0.00 0.00 179.25 177.50 2aqx n ARG 756 N -4.11 0.25 0.00 0.00 3.00 0.69 -3.75 116.66 112.74 2aqx n ARG 756 Ca -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2aqx n ARG 756 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.36 2aqx n ARG 756 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2aqx n LYS 757 N -1.23 0.00 -3.16 -0.14 3.00 -0.90 -4.40 118.16 111.33 2aqx n LYS 757 Ca 0.07 0.32 -0.45 0.00 -0.00 0.00 0.00 58.31 58.25 2aqx n LYS 757 Cb 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 35.03 34.31 2aqx n LYS 757 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2aqx s LYS 758 N -0.90 3.80 -1.09 1.64 -2.85 -1.26 -4.96 119.74 114.12 2aqx s LYS 758 Ca 0.00 -2.44 -0.04 0.00 -1.00 0.00 0.00 55.97 52.49 2aqx s LYS 758 Cb 0.00 -4.69 0.17 0.00 -2.06 0.00 0.00 37.83 31.26 2aqx s LYS 758 CO 0.00 -1.49 2.28 -0.35 0.10 0.00 0.00 175.35 175.90 2aqx n PRO 759 N 4.68 4.38 -1.43 1.78 -0.04 -1.25 -4.94 135.00 138.18 2aqx n PRO 759 Ca 0.22 -3.60 -0.29 0.00 -0.04 0.00 0.00 63.50 59.79 2aqx n PRO 759 Cb 0.45 -2.50 0.14 0.00 -0.04 0.00 0.00 33.50 31.55 2aqx n PRO 759 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2aqx s SER 760 N -0.14 3.48 0.25 3.54 1.04 -1.26 -4.86 113.70 115.74 2aqx s SER 760 Ca 0.51 1.12 -0.26 0.00 0.48 0.00 0.00 55.95 57.80 2aqx s SER 760 Cb 0.23 -1.75 -0.09 0.00 0.10 0.00 0.00 66.02 64.51 2aqx s SER 760 CO -0.14 -2.59 0.86 -0.76 0.98 0.00 0.00 173.24 171.59 2aqx s LEU 761 N -6.10 4.47 -0.25 2.42 1.43 -1.26 -4.47 118.68 114.92 2aqx s LEU 761 Ca 0.64 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2aqx s LEU 761 Cb -0.16 -3.67 0.07 0.00 0.03 0.00 0.00 46.19 42.46 2aqx s LEU 761 CO 0.55 0.07 0.02 -0.13 0.23 0.00 0.00 176.35 177.08 2aqx s ARG 762 N -1.63 1.11 0.08 1.70 1.81 0.27 -4.89 118.95 117.40 2aqx s ARG 762 Ca 0.43 -0.89 -0.24 0.00 -1.72 0.00 0.00 55.73 53.31 2aqx s ARG 762 Cb -0.21 -2.34 -0.16 0.00 -0.45 0.00 0.00 34.95 31.79 2aqx s ARG 762 CO 0.26 -0.72 1.69 0.87 -0.68 0.00 0.00 175.30 176.71 2aqx h LYS 763 N 8.05 -0.07 -0.71 3.54 6.56 -1.84 -1.35 116.57 130.75 2aqx h LYS 763 Ca -0.15 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.49 2aqx h LYS 763 Cb 1.07 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.69 2aqx h LYS 763 CO 0.41 -0.01 0.42 0.38 -2.06 0.00 0.00 179.45 178.59 2aqx h ASP 764 N -0.12 0.64 -0.31 0.86 2.03 -1.94 0.61 116.42 118.19 2aqx h ASP 764 Ca -0.01 0.02 -0.13 0.00 -0.73 0.00 0.00 57.03 56.18 2aqx h ASP 764 Cb 0.10 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.48 2aqx h ASP 764 CO 0.01 0.42 -0.29 0.24 -1.03 0.00 0.00 179.24 178.59 2aqx h MET 765 N 0.77 0.83 -0.80 4.15 2.86 -1.90 0.10 114.93 120.94 2aqx h MET 765 Ca 0.31 -0.38 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2aqx h MET 765 Cb 0.15 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2aqx h MET 765 CO -0.17 1.01 0.39 -0.92 1.06 0.00 0.00 176.91 178.28 2aqx h TYR 766 N 0.70 1.16 -0.13 -0.22 3.20 -0.92 -1.54 116.97 119.21 2aqx h TYR 766 Ca 0.08 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 2aqx h TYR 766 Cb 0.84 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2aqx h TYR 766 CO 0.05 0.84 -0.59 1.96 -1.64 0.00 0.00 178.16 178.78 2aqx h GLN 767 N 1.14 0.44 -0.27 1.82 4.20 -0.42 0.47 115.11 122.50 2aqx h GLN 767 Ca 0.28 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2aqx h GLN 767 Cb 0.12 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2aqx h GLN 767 CO -0.03 0.91 -0.00 0.87 -0.67 0.00 0.00 178.83 179.90 2aqx h LYS 768 N 0.33 0.47 -0.82 1.46 1.57 -0.97 -2.07 116.57 116.54 2aqx h LYS 768 Ca -0.00 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2aqx h LYS 768 Cb 1.13 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2aqx h LYS 768 CO 0.10 0.63 0.45 1.98 -0.57 0.00 0.00 179.45 182.04 2aqx h MET 769 N 0.25 1.15 0.00 3.15 4.05 -1.02 -0.27 114.93 122.24 2aqx h MET 769 Ca 0.08 -0.14 -0.11 0.00 -0.28 0.00 0.00 59.70 59.25 2aqx h MET 769 Cb 0.42 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 2aqx h MET 769 CO 0.01 0.85 -0.51 -0.24 0.23 0.00 0.00 176.91 177.26 2aqx h VAL 770 N 1.15 1.02 -0.06 -5.77 3.04 -0.93 0.14 116.25 114.83 2aqx h VAL 770 Ca 0.29 -2.00 -0.02 0.00 -1.01 0.00 0.00 66.70 63.95 2aqx h VAL 770 Cb 0.04 2.20 -0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2aqx h VAL 770 CO -0.05 0.50 -0.06 -0.08 -1.01 0.00 0.00 177.57 176.88 2aqx h GLU 771 N 0.00 0.15 -0.25 4.17 4.81 -0.92 -3.09 114.58 119.45 2aqx h GLU 771 Ca -0.01 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 2aqx h GLU 771 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2aqx h GLU 771 CO 0.07 0.58 -0.45 0.28 -0.73 0.00 0.00 179.01 178.76 2aqx h VAL 772 N -0.28 1.30 -2.43 0.32 2.07 -0.89 -3.43 116.25 112.91 2aqx h VAL 772 Ca 0.01 -1.65 -0.30 0.00 0.82 0.00 0.00 66.70 65.58 2aqx h VAL 772 Cb 0.55 1.72 -0.35 0.00 -1.52 0.00 0.00 31.29 31.69 2aqx h VAL 772 CO 0.01 0.53 -0.61 -0.62 0.02 0.00 0.00 177.57 176.90 2aqx s ASP 773 N -6.76 1.29 0.00 0.57 -1.08 0.46 -5.01 116.67 106.14 2aqx s ASP 773 Ca -0.12 -0.22 0.22 0.00 -0.52 0.00 0.00 52.55 51.92 2aqx s ASP 773 Cb 0.09 0.47 1.23 0.00 -1.46 0.00 0.00 42.92 43.25 2aqx s ASP 773 CO 0.86 -0.33 1.70 -0.81 0.52 0.00 0.00 175.17 177.11 2aqx n PRO 774 N 5.32 0.54 -0.05 4.34 -0.04 -1.17 -2.70 135.00 141.25 2aqx n PRO 774 Ca -0.05 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 2aqx n PRO 774 Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 2aqx n PRO 774 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2aqx n GLU 775 N -1.11 1.21 0.08 0.54 1.02 -1.26 -4.66 120.64 116.46 2aqx n GLU 775 Ca 0.14 -1.34 -0.21 0.00 -0.02 0.00 0.00 57.16 55.73 2aqx n GLU 775 Cb 0.11 -1.17 -0.14 0.00 -0.02 0.00 0.00 31.44 30.22 2aqx n GLU 775 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2aqx h ALA 776 N 1.53 -0.09 -2.69 0.62 0.00 -1.83 -3.47 119.26 113.33 2aqx h ALA 776 Ca 0.00 -0.74 -0.51 0.00 0.00 0.00 0.00 54.91 53.66 2aqx h ALA 776 Cb 0.46 0.12 0.08 0.00 0.00 0.00 0.00 17.79 18.45 2aqx h ALA 776 CO 0.00 0.50 0.46 -1.25 0.00 0.00 0.00 179.25 178.96 2aqx s PRO 777 N -2.63 3.35 0.91 0.00 0.04 -1.26 -5.01 135.00 130.40 2aqx s PRO 777 Ca -0.12 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2aqx s PRO 777 Cb 0.03 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.62 2aqx s PRO 777 CO 0.88 -0.88 1.09 0.95 0.04 0.00 0.00 177.00 179.08 2aqx s THR 778 N -1.66 2.59 0.20 1.26 -4.23 -1.26 -4.76 115.64 107.77 2aqx s THR 778 Ca 0.72 0.19 -0.12 0.00 -1.18 0.00 0.00 61.69 61.30 2aqx s THR 778 Cb -0.27 -2.54 0.12 0.00 1.34 0.00 0.00 72.50 71.15 2aqx s THR 778 CO 0.31 -0.25 1.86 -0.33 -0.54 0.00 0.00 174.62 175.67 2aqx h GLU 779 N -1.67 0.86 -0.58 3.99 3.07 -1.99 0.04 114.58 118.31 2aqx h GLU 779 Ca -0.49 -0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.44 2aqx h GLU 779 Cb 1.28 -0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.90 2aqx h GLU 779 CO 0.51 0.57 0.01 0.93 -1.40 0.00 0.00 179.01 179.63 2aqx h GLU 780 N 0.89 0.12 -0.37 2.33 3.07 -1.99 -0.89 114.58 117.74 2aqx h GLU 780 Ca 0.24 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 2aqx h GLU 780 Cb -0.09 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2aqx h GLU 780 CO -0.06 0.08 -0.09 0.93 -1.40 0.00 0.00 179.01 178.47 2aqx h GLU 781 N 0.12 0.71 -0.31 2.33 5.08 -1.67 -0.96 114.58 119.88 2aqx h GLU 781 Ca 0.30 -0.27 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2aqx h GLU 781 Cb 0.47 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2aqx h GLU 781 CO -0.49 0.86 -0.11 0.87 -1.00 0.00 0.00 179.01 179.14 2aqx h LYS 782 N 0.51 -0.05 -0.06 2.33 1.57 -0.67 0.25 116.57 120.45 2aqx h LYS 782 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2aqx h LYS 782 Cb 0.60 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2aqx h LYS 782 CO 0.04 -0.03 -0.17 0.00 -0.57 0.00 0.00 179.45 178.71 2aqx h ALA 783 N 1.23 1.61 0.00 3.86 0.00 -0.99 -2.38 119.26 122.59 2aqx h ALA 783 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2aqx h ALA 783 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2aqx h ALA 783 CO -0.35 0.29 -0.73 1.96 0.00 0.00 0.00 179.25 180.42 2aqx h GLN 784 N 0.09 0.00 -6.52 0.00 4.20 -0.64 -3.48 115.11 108.76 2aqx h GLN 784 Ca 0.02 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.22 2aqx h GLN 784 Cb 0.36 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.03 2aqx h GLN 784 CO 0.02 0.00 -0.82 0.54 -0.67 0.00 0.00 178.83 177.90 2aqx n ARG 785 N -2.27 -4.00 -3.60 1.46 1.74 0.85 -4.97 116.66 105.87 2aqx n ARG 785 Ca 0.02 0.46 -0.16 0.00 -0.77 0.00 0.00 57.85 57.41 2aqx n ARG 785 Cb 0.47 -5.09 -0.07 0.00 -1.02 0.00 0.00 32.46 26.75 2aqx n ARG 785 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2aqx s ALA 786 N -3.46 -1.66 0.24 7.54 0.00 -1.13 -4.17 121.76 119.12 2aqx s ALA 786 Ca 0.51 1.56 0.08 0.00 0.00 0.00 0.00 51.96 54.11 2aqx s ALA 786 Cb -0.27 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 2aqx s ALA 786 CO 0.88 -0.34 -0.12 0.08 0.00 0.00 0.00 175.76 176.27 2aqx s VAL 787 N -0.39 1.81 0.28 0.00 1.01 -0.88 -4.61 120.40 117.62 2aqx s VAL 787 Ca -0.05 -2.21 -0.02 0.00 0.00 0.00 0.00 61.98 59.70 2aqx s VAL 787 Cb -0.03 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.19 2aqx s VAL 787 CO 0.05 -0.46 0.38 0.35 0.00 0.00 0.00 175.10 175.42 2aqx n THR 788 N -0.49 0.00 -0.08 3.92 -2.24 -1.26 0.98 114.28 115.11 2aqx n THR 788 Ca -0.07 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 2aqx n THR 788 Cb 0.61 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 67.37 2aqx n THR 788 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2aqx n LYS 789 N -1.74 0.89 0.00 -0.78 4.81 -1.26 -2.12 118.16 117.96 2aqx n LYS 789 Ca 0.06 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2aqx n LYS 789 Cb 0.21 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.89 2aqx n LYS 789 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2aqx n PRO 790 N -2.85 0.00 -0.35 1.64 -0.02 -1.26 0.89 135.00 133.05 2aqx n PRO 790 Ca -0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 2aqx n PRO 790 Cb 0.88 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.50 2aqx n PRO 790 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2aqx h ARG 791 N 0.00 1.15 -0.02 -0.52 1.12 -1.97 -2.24 114.38 111.89 2aqx h ARG 791 Ca 0.00 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 2aqx h ARG 791 Cb 0.00 -0.26 -0.00 0.00 -0.01 0.00 0.00 29.97 29.70 2aqx h ARG 791 CO 0.00 0.76 -0.03 -0.92 -3.11 0.00 0.00 179.97 176.67 2aqx h TYR 792 N 1.18 0.07 -0.81 2.20 3.20 -1.09 0.03 116.97 121.75 2aqx h TYR 792 Ca 0.39 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.41 2aqx h TYR 792 Cb 0.04 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.18 2aqx h TYR 792 CO -0.01 0.57 0.31 0.52 -1.64 0.00 0.00 178.16 177.91 2aqx h MET 793 N -0.45 0.38 0.06 1.82 2.86 0.68 -0.99 114.93 119.29 2aqx h MET 793 Ca 0.00 -0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.34 2aqx h MET 793 Cb 0.56 -0.09 0.02 0.00 0.06 0.00 0.00 31.60 32.16 2aqx h MET 793 CO 0.01 0.25 -1.12 1.96 1.06 0.00 0.00 176.91 179.06 2aqx h GLN 794 N 0.39 0.62 -0.76 1.72 4.20 -1.16 -3.24 115.11 116.88 2aqx h GLN 794 Ca 0.47 -0.74 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 2aqx h GLN 794 Cb 0.82 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 2aqx h GLN 794 CO -0.48 1.32 0.28 2.35 -0.67 0.00 0.00 178.83 181.62 2aqx h TRP 795 N 0.31 1.17 -0.87 2.96 7.01 -0.75 -2.69 115.95 123.10 2aqx h TRP 795 Ca -0.15 -0.10 0.19 0.00 2.11 0.00 0.00 58.89 60.95 2aqx h TRP 795 Cb 1.79 -0.35 -0.11 0.00 -2.10 0.00 0.00 29.16 28.38 2aqx h TRP 795 CO 0.10 0.90 0.39 -0.09 -2.79 0.00 0.00 178.44 176.95 2aqx h ARG 796 N 1.11 0.45 0.00 2.65 2.43 -1.21 0.13 114.38 119.94 2aqx h ARG 796 Ca 0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2aqx h ARG 796 Cb 0.24 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2aqx h ARG 796 CO -0.02 0.29 0.00 0.39 -1.51 0.00 0.00 179.97 179.13 2aqx n GLU 797 N -5.00 0.05 0.05 0.20 -0.58 -1.02 -3.25 120.64 111.10 2aqx n GLU 797 Ca 0.20 0.44 0.09 0.00 -0.42 0.00 0.00 57.16 57.47 2aqx n GLU 797 Cb 0.57 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.73 2aqx n GLU 797 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2aqx n THR 798 N -1.74 0.55 0.47 2.62 5.66 0.44 -2.12 114.28 120.17 2aqx n THR 798 Ca 0.01 -0.57 0.13 0.00 -3.05 0.00 0.00 64.05 60.57 2aqx n THR 798 Cb 0.09 -0.30 0.29 0.00 -1.55 0.00 0.00 70.33 68.85 2aqx n THR 798 CO 0.00 0.00 0.00 0.16 -3.05 0.00 0.00 175.07 172.18 2aqx h ILE 799 N 0.00 0.00 -3.95 1.09 3.07 -1.64 -3.45 117.51 112.63 2aqx h ILE 799 Ca -0.05 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.70 2aqx h ILE 799 Cb 1.13 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 2aqx h ILE 799 CO 0.01 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.57 2aqx n SER 800 N -2.53 1.48 0.00 2.16 3.41 -1.23 -4.17 113.62 112.74 2aqx n SER 800 Ca 0.05 -0.95 0.07 0.00 -0.26 0.00 0.00 58.87 57.78 2aqx n SER 800 Cb 0.47 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.84 2aqx n SER 800 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2aqx n SER 801 N -1.44 0.00 0.27 4.04 3.41 -0.76 -4.24 113.62 114.90 2aqx n SER 801 Ca 0.00 -1.36 -0.16 0.00 -0.26 0.00 0.00 58.87 57.09 2aqx n SER 801 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2aqx n SER 801 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2aqx h THR 802 N 0.00 0.53 0.00 6.66 2.02 -1.58 0.81 112.91 121.34 2aqx h THR 802 Ca 0.00 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.00 2aqx h THR 802 Cb 0.00 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2aqx h THR 802 CO 0.00 0.02 -0.44 0.00 0.37 0.00 0.00 175.52 175.46 2aqx h ALA 803 N -0.19 1.18 0.04 6.16 0.00 -1.59 -1.29 119.26 123.57 2aqx h ALA 803 Ca -0.07 -0.40 -0.37 0.00 0.00 0.00 0.00 54.91 54.07 2aqx h ALA 803 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2aqx h ALA 803 CO 0.11 0.56 -2.14 0.25 0.00 0.00 0.00 179.25 178.02 2aqx n THR 804 N -3.88 1.60 0.33 0.00 -2.24 -1.21 -4.63 114.28 104.25 2aqx n THR 804 Ca -0.01 -0.48 0.11 0.00 -2.27 0.00 0.00 64.05 61.40 2aqx n THR 804 Cb 0.49 -1.71 -0.15 0.00 -2.10 0.00 0.00 70.33 66.86 2aqx n THR 804 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2aqx n LEU 805 N -3.70 0.34 0.00 3.22 4.77 0.23 -5.00 117.00 116.86 2aqx n LEU 805 Ca -0.41 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2aqx n LEU 805 Cb 0.94 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2aqx n LEU 805 CO 0.26 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2aqx n GLY 806 N 1.34 0.40 3.65 -0.72 0.00 -0.48 -3.61 105.19 105.77 2aqx n GLY 806 Ca -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 2aqx n GLY 806 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aqx s PHE 807 N -2.00 0.08 -0.13 1.61 -0.12 -1.24 -0.24 117.98 115.94 2aqx s PHE 807 Ca 0.00 -0.47 -0.20 0.00 -0.05 0.00 0.00 56.93 56.22 2aqx s PHE 807 Cb 0.00 0.39 0.05 0.00 -0.63 0.00 0.00 43.02 42.83 2aqx s PHE 807 CO 0.00 -1.04 0.51 -0.98 -0.05 0.00 0.00 175.22 173.65 2aqx s ARG 808 N -3.95 0.70 0.05 1.99 1.70 0.07 -2.40 118.95 117.12 2aqx s ARG 808 Ca 0.16 0.45 -0.30 0.00 -0.47 0.00 0.00 55.73 55.56 2aqx s ARG 808 Cb -0.02 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 2aqx s ARG 808 CO 0.05 -0.14 1.19 0.42 -1.08 0.00 0.00 175.30 175.74 2aqx s ILE 809 N -0.32 4.08 -0.21 4.99 1.01 -1.26 0.28 121.20 129.77 2aqx s ILE 809 Ca -0.05 1.49 -0.02 0.00 0.00 0.00 0.00 60.65 62.07 2aqx s ILE 809 Cb -0.03 -3.95 -0.20 0.00 0.01 0.00 0.00 42.46 38.28 2aqx s ILE 809 CO 0.03 0.10 -0.03 -0.62 0.00 0.00 0.00 174.94 174.43 2aqx n GLU 810 N 4.06 0.68 -3.51 2.79 -0.58 0.72 -4.64 120.64 120.17 2aqx n GLU 810 Ca 0.09 0.20 -0.10 0.00 -0.42 0.00 0.00 57.16 56.94 2aqx n GLU 810 Cb 0.46 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.73 2aqx n GLU 810 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2aqx s GLY 811 N -6.11 -0.49 -0.02 0.62 0.00 -1.18 -4.58 107.32 95.56 2aqx s GLY 811 Ca -0.31 0.61 0.00 0.00 0.00 0.00 0.00 44.72 45.02 2aqx s GLY 811 CO 0.65 0.20 0.02 -0.42 0.00 0.00 0.00 173.10 173.54 2aqx s ILE 812 N -3.48 0.04 -0.23 0.90 1.01 -0.44 -1.43 121.20 117.58 2aqx s ILE 812 Ca 0.04 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 2aqx s ILE 812 Cb -0.01 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.28 2aqx s ILE 812 CO -0.09 0.10 0.01 -0.75 0.00 0.00 0.00 174.94 174.22 2aqx s LYS 813 N 0.96 3.55 0.60 2.79 2.47 0.12 -0.49 119.74 129.74 2aqx s LYS 813 Ca -0.09 -0.54 0.04 0.00 -1.56 0.00 0.00 55.97 53.82 2aqx s LYS 813 Cb -0.12 -3.16 0.08 0.00 -1.46 0.00 0.00 37.83 33.17 2aqx s LYS 813 CO -0.02 -0.15 0.83 0.15 0.16 0.00 0.00 175.35 176.32 2aqx s LYS 814 N 1.43 2.21 0.64 4.03 1.02 -0.22 -2.09 119.74 126.76 2aqx s LYS 814 Ca 0.05 -1.18 0.42 0.00 0.02 0.00 0.00 55.97 55.27 2aqx s LYS 814 Cb -0.15 -2.51 2.19 0.00 -0.52 0.00 0.00 37.83 36.84 2aqx s LYS 814 CO 0.01 -0.96 2.29 0.93 -0.92 0.00 0.00 175.35 176.70 2aqx h GLU 815 N -0.04 0.00 -0.29 1.68 4.39 -1.88 0.12 114.58 118.56 2aqx h GLU 815 Ca -0.37 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.42 2aqx h GLU 815 Cb 1.28 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2aqx h GLU 815 CO 0.44 0.00 0.21 -0.44 -1.16 0.00 0.00 179.01 178.06 2aqx h ASP 816 N 0.00 0.00 0.00 1.42 3.32 -2.00 -3.46 116.42 115.70 2aqx h ASP 816 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2aqx h ASP 816 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2aqx h ASP 816 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2aqx n GLY 817 N -1.59 0.54 3.91 2.75 0.00 0.03 -5.07 105.19 105.76 2aqx n GLY 817 Ca 0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 2aqx n GLY 817 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aqx s SER 818 N -2.33 6.42 -0.09 1.61 1.04 -1.26 -4.92 113.70 114.17 2aqx s SER 818 Ca 0.00 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.89 2aqx s SER 818 Cb 0.00 -2.03 0.02 0.00 0.10 0.00 0.00 66.02 64.10 2aqx s SER 818 CO 0.00 0.04 -0.13 -0.69 0.98 0.00 0.00 173.24 173.44 2aqx s VAL 819 N -1.71 1.28 -0.09 5.02 1.01 -1.26 -1.05 120.40 123.60 2aqx s VAL 819 Ca 0.39 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2aqx s VAL 819 Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2aqx s VAL 819 CO 0.27 0.39 -0.07 0.20 0.00 0.00 0.00 175.10 175.90 2aqx s ASN 820 N 0.93 4.63 0.00 3.32 0.01 0.36 -4.98 114.94 119.21 2aqx s ASN 820 Ca -0.09 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2aqx s ASN 820 Cb -0.15 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.21 2aqx s ASN 820 CO 0.00 0.32 0.25 0.54 -1.51 0.00 0.00 177.10 176.70 2aqx n ARG 821 N 2.53 -0.23 -2.91 -0.60 1.74 -1.26 -1.32 116.66 114.61 2aqx n ARG 821 Ca -0.18 -0.27 -0.44 0.00 -0.77 0.00 0.00 57.85 56.19 2aqx n ARG 821 Cb 0.53 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.27 2aqx n ARG 821 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2aqx n ASP 822 N -0.02 5.24 -0.64 0.55 2.03 -1.26 -4.55 116.55 117.89 2aqx n ASP 822 Ca 0.00 -3.00 0.07 0.00 0.52 0.00 0.00 54.79 52.38 2aqx n ASP 822 Cb 0.18 -1.55 0.21 0.00 -0.72 0.00 0.00 41.12 39.24 2aqx n ASP 822 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2aqx n PHE 823 N 5.26 0.59 -0.11 -0.67 3.72 -1.26 -4.72 117.46 120.27 2aqx n PHE 823 Ca 0.36 -1.09 -0.05 0.00 -0.05 0.00 0.00 57.45 56.63 2aqx n PHE 823 Cb 0.42 -0.29 0.02 0.00 -0.94 0.00 0.00 39.48 38.69 2aqx n PHE 823 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2aqx h LYS 824 N 1.01 0.10 -0.60 -1.08 6.56 -1.89 -1.45 116.57 119.22 2aqx h LYS 824 Ca 0.04 -0.01 -0.20 0.00 -1.06 0.00 0.00 60.65 59.42 2aqx h LYS 824 Cb 1.30 -0.02 -0.12 0.00 -0.57 0.00 0.00 32.23 32.82 2aqx h LYS 824 CO 0.16 0.07 0.19 1.63 -2.06 0.00 0.00 179.45 179.44 2aqx n LYS 825 N -5.18 3.07 -2.70 3.15 5.02 -1.26 -3.57 118.16 116.69 2aqx n LYS 825 Ca 0.02 -3.06 -0.43 0.00 -2.02 0.00 0.00 58.31 52.83 2aqx n LYS 825 Cb 0.19 -2.07 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 2aqx n LYS 825 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aqx s THR 826 N -3.05 4.21 0.00 -0.18 2.01 -0.55 -4.81 115.64 113.27 2aqx s THR 826 Ca 0.51 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2aqx s THR 826 Cb 0.42 -4.62 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2aqx s THR 826 CO 0.10 -1.19 0.00 0.29 -0.69 0.00 0.00 174.62 173.13 2aqx n LYS 827 N 7.93 0.00 -3.17 4.92 5.02 -1.26 -1.84 118.16 129.76 2aqx n LYS 827 Ca 0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 2aqx n LYS 827 Cb 0.48 -0.55 -0.01 0.00 -0.02 0.00 0.00 35.03 34.94 2aqx n LYS 827 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2aqx s THR 828 N -2.00 4.85 0.49 -0.18 -4.23 -1.26 -3.88 115.64 109.42 2aqx s THR 828 Ca 0.00 -0.35 0.15 0.00 -1.18 0.00 0.00 61.69 60.31 2aqx s THR 828 Cb 0.00 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 70.34 2aqx s THR 828 CO 0.00 -0.57 2.09 0.03 -0.54 0.00 0.00 174.62 175.64 2aqx h ARG 829 N 0.59 0.16 0.03 3.99 3.08 -1.99 -1.88 114.38 118.36 2aqx h ARG 829 Ca -0.49 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2aqx h ARG 829 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2aqx h ARG 829 CO 0.61 0.11 -0.02 0.93 -1.07 0.00 0.00 179.97 180.53 2aqx h GLU 830 N 0.17 -0.04 -1.00 0.04 3.07 -1.99 -1.23 114.58 113.60 2aqx h GLU 830 Ca 0.09 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.05 2aqx h GLU 830 Cb 0.16 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.01 2aqx h GLU 830 CO -0.02 0.34 0.64 1.96 -1.40 0.00 0.00 179.01 180.53 2aqx h GLN 831 N -0.43 1.04 0.14 2.33 4.20 -1.86 -0.28 115.11 120.26 2aqx h GLN 831 Ca -0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2aqx h GLN 831 Cb 0.40 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2aqx h GLN 831 CO 0.01 0.69 -0.07 0.28 -0.67 0.00 0.00 178.83 179.07 2aqx h VAL 832 N 1.07 0.98 -0.58 -0.54 2.07 -1.31 -2.04 116.25 115.91 2aqx h VAL 832 Ca 0.46 -1.08 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2aqx h VAL 832 Cb 0.33 1.59 -0.11 0.00 -1.52 0.00 0.00 31.29 31.58 2aqx h VAL 832 CO -0.21 0.23 -0.19 0.74 0.02 0.00 0.00 177.57 178.15 2aqx h THR 833 N -0.76 0.35 -0.69 2.57 2.02 -1.11 0.15 112.91 115.43 2aqx h THR 833 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 2aqx h THR 833 Cb 0.53 0.35 -0.13 0.00 -1.74 0.00 0.00 68.15 67.15 2aqx h THR 833 CO 0.03 0.00 -0.23 -0.08 0.37 0.00 0.00 175.52 175.61 2aqx h GLU 834 N -0.05 -0.05 0.14 6.66 4.57 -0.99 0.31 114.58 125.17 2aqx h GLU 834 Ca 0.27 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 2aqx h GLU 834 Cb 0.47 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2aqx h GLU 834 CO -0.62 -0.03 -0.07 0.00 -1.18 0.00 0.00 179.01 177.11 2aqx h ALA 835 N 1.51 -0.19 -0.48 2.92 0.00 -0.27 -1.47 119.26 121.28 2aqx h ALA 835 Ca 0.31 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2aqx h ALA 835 Cb 0.54 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2aqx h ALA 835 CO -0.73 -0.48 -0.15 0.74 0.00 0.00 0.00 179.25 178.63 2aqx h PHE 836 N -0.46 -0.35 -0.51 0.00 -1.00 -1.05 0.99 116.94 114.55 2aqx h PHE 836 Ca -0.02 0.05 0.07 0.00 2.81 0.00 0.00 57.97 60.88 2aqx h PHE 836 Cb 0.36 0.23 -0.06 0.00 3.61 0.00 0.00 35.95 40.09 2aqx h PHE 836 CO 0.01 -0.24 0.17 -0.09 -1.61 0.00 0.00 178.31 176.55 2aqx h ARG 837 N -0.04 0.34 -0.47 1.51 2.43 -0.22 -0.95 114.38 116.97 2aqx h ARG 837 Ca 0.23 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2aqx h ARG 837 Cb 0.39 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2aqx h ARG 837 CO -0.51 0.22 -0.03 1.49 -1.51 0.00 0.00 179.97 179.63 2aqx h GLU 838 N 0.35 0.85 0.00 0.20 4.81 -1.02 0.45 114.58 120.22 2aqx h GLU 838 Ca 0.25 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2aqx h GLU 838 Cb 0.28 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2aqx h GLU 838 CO -0.26 0.91 -0.01 0.35 -0.73 0.00 0.00 179.01 179.27 2aqx h PHE 839 N 0.70 0.00 0.00 0.92 3.57 -0.23 -2.24 116.94 119.65 2aqx h PHE 839 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2aqx h PHE 839 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2aqx h PHE 839 CO 0.04 0.01 -1.30 -2.37 -2.23 0.00 0.00 178.31 172.46 2aqx n THR 840 N -3.83 0.00 -3.12 4.41 5.66 -0.41 -4.85 114.28 112.13 2aqx n THR 840 Ca -0.03 -0.25 -0.22 0.00 -3.05 0.00 0.00 64.05 60.50 2aqx n THR 840 Cb 0.09 0.40 0.01 0.00 -1.55 0.00 0.00 70.33 69.29 2aqx n THR 840 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2aqx n LYS 841 N -1.75 -3.95 -1.09 1.09 5.02 0.04 -2.37 118.16 115.14 2aqx n LYS 841 Ca -0.01 0.69 -0.03 0.00 -2.02 0.00 0.00 58.31 56.94 2aqx n LYS 841 Cb 0.26 -5.46 -0.01 0.00 -0.02 0.00 0.00 35.03 29.80 2aqx n LYS 841 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2aqx n GLY 842 N -1.30 0.40 3.62 0.72 0.00 -0.56 -4.93 105.19 103.13 2aqx n GLY 842 Ca -0.07 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2aqx n GLY 842 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aqx s ASN 843 N -2.15 5.85 0.14 1.61 3.84 -1.00 -4.90 114.94 118.32 2aqx s ASN 843 Ca 0.00 1.95 -0.18 0.00 0.21 0.00 0.00 52.86 54.84 2aqx s ASN 843 Cb 0.00 -2.52 -0.03 0.00 -0.55 0.00 0.00 41.25 38.15 2aqx s ASN 843 CO 0.00 -1.64 1.78 -0.61 -2.79 0.00 0.00 177.10 173.84 2aqx h GLN 844 N 13.24 0.41 -0.52 0.43 5.75 -1.91 -1.99 115.11 130.52 2aqx h GLN 844 Ca -0.41 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.09 2aqx h GLN 844 Cb 1.22 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.64 2aqx h GLN 844 CO 0.97 0.29 0.30 -0.91 -2.65 0.00 0.00 178.83 176.84 2aqx h ASN 845 N 0.41 0.48 -0.74 -0.69 2.35 -1.98 -1.46 115.58 113.95 2aqx h ASN 845 Ca 0.11 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2aqx h ASN 845 Cb -0.02 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2aqx h ASN 845 CO -0.02 0.34 0.38 0.40 -1.65 0.00 0.00 177.43 176.88 2aqx h ILE 846 N 0.60 1.23 -0.55 2.81 2.04 -1.83 -2.59 117.51 119.21 2aqx h ILE 846 Ca 0.21 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2aqx h ILE 846 Cb 0.04 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 2aqx h ILE 846 CO -0.11 0.26 0.30 -0.07 0.00 0.00 0.00 178.15 178.54 2aqx h LEU 847 N 1.02 0.69 -0.54 1.44 4.07 -0.86 -2.04 115.31 119.10 2aqx h LEU 847 Ca 0.26 -0.09 -0.14 0.00 0.08 0.00 0.00 57.88 57.99 2aqx h LEU 847 Cb 0.07 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 2aqx h LEU 847 CO -0.04 0.59 -0.30 0.40 -1.08 0.00 0.00 178.44 178.01 2aqx h ILE 848 N 0.74 1.27 -0.45 1.22 2.04 -1.18 0.20 117.51 121.35 2aqx h ILE 848 Ca 0.19 -1.46 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 2aqx h ILE 848 Cb 0.05 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2aqx h ILE 848 CO -0.03 0.49 0.02 0.00 0.00 0.00 0.00 178.15 178.63 2aqx h ALA 849 N 0.92 0.61 0.07 1.87 0.00 -1.38 0.22 119.26 121.58 2aqx h ALA 849 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2aqx h ALA 849 Cb 0.86 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2aqx h ALA 849 CO 0.08 0.38 -0.04 1.88 0.00 0.00 0.00 179.25 181.55 2aqx h TYR 850 N 0.64 -0.09 -0.88 0.00 0.05 -1.16 0.37 116.97 115.90 2aqx h TYR 850 Ca 0.13 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.94 2aqx h TYR 850 Cb 0.46 0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.18 2aqx h TYR 850 CO 0.03 -0.05 0.57 -0.09 -1.05 0.00 0.00 178.16 177.58 2aqx h ARG 851 N -0.11 1.07 0.00 4.88 1.12 -0.28 -0.33 114.38 120.74 2aqx h ARG 851 Ca -0.01 -0.06 -0.16 0.00 -1.11 0.00 0.00 59.98 58.64 2aqx h ARG 851 Cb 0.08 -0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 29.78 2aqx h ARG 851 CO 0.02 0.71 -0.76 -0.44 -3.11 0.00 0.00 179.97 176.39 2aqx h ASP 852 N 1.11 0.00 0.44 -3.80 3.32 -0.34 -1.76 116.42 115.39 2aqx h ASP 852 Ca 0.35 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.28 2aqx h ASP 852 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2aqx h ASP 852 CO -0.12 0.76 -0.56 -0.09 -1.72 0.00 0.00 179.24 177.51 2aqx h ARG 853 N 0.00 0.13 -0.21 3.56 9.65 -0.61 -0.92 114.38 125.97 2aqx h ARG 853 Ca -0.01 -0.08 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 2aqx h ARG 853 Cb 1.41 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.99 2aqx h ARG 853 CO 0.10 0.65 -0.21 -0.07 2.80 0.00 0.00 179.97 183.24 2aqx h LEU 854 N 0.10 0.55 -1.05 3.80 3.38 -0.83 -1.89 115.31 119.36 2aqx h LEU 854 Ca -0.00 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2aqx h LEU 854 Cb 1.01 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2aqx h LEU 854 CO 0.08 0.91 0.48 0.11 0.09 0.00 0.00 178.44 180.11 2aqx h LYS 855 N 0.19 1.14 -0.45 1.13 1.57 -1.14 0.00 116.57 119.01 2aqx h LYS 855 Ca 0.03 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2aqx h LYS 855 Cb 0.76 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2aqx h LYS 855 CO 0.05 0.81 0.24 0.00 -0.57 0.00 0.00 179.45 179.98 2aqx h ALA 856 N 1.38 0.58 0.13 3.86 0.00 -1.17 -1.24 119.26 122.79 2aqx h ALA 856 Ca 0.30 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2aqx h ALA 856 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2aqx h ALA 856 CO -0.05 0.12 -0.22 0.82 0.00 0.00 0.00 179.25 179.92 2aqx h ILE 857 N 0.59 0.52 -0.69 0.00 2.04 -0.58 -2.13 117.51 117.25 2aqx h ILE 857 Ca 0.16 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.16 2aqx h ILE 857 Cb 0.08 0.52 -0.13 0.00 -0.74 0.00 0.00 36.82 36.54 2aqx h ILE 857 CO -0.02 0.00 -0.13 -0.09 0.00 0.00 0.00 178.15 177.90 2aqx h ARG 858 N -0.42 0.02 0.00 2.37 2.43 -0.96 -1.28 114.38 116.54 2aqx h ARG 858 Ca 0.02 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2aqx h ARG 858 Cb 0.43 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2aqx h ARG 858 CO -0.11 0.01 -0.13 0.00 -1.51 0.00 0.00 179.97 178.24 2aqx h ALA 859 N 1.68 1.65 0.02 2.80 0.00 -0.62 -2.17 119.26 122.62 2aqx h ALA 859 Ca 0.34 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 2aqx h ALA 859 Cb 0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2aqx h ALA 859 CO -0.69 0.17 -1.34 1.15 0.00 0.00 0.00 179.25 178.54 2aqx h THR 860 N 0.00 1.32 -0.66 0.00 2.02 -0.66 -3.30 112.91 111.62 2aqx h THR 860 Ca -0.00 -3.07 -0.06 0.00 0.77 0.00 0.00 66.41 64.06 2aqx h THR 860 Cb 0.25 2.68 -0.03 0.00 -1.74 0.00 0.00 68.15 69.32 2aqx h THR 860 CO 0.02 0.78 0.19 -0.07 0.37 0.00 0.00 175.52 176.81 2aqx h LEU 861 N 0.01 0.97 -2.30 2.58 3.38 -0.72 -1.91 115.31 117.33 2aqx h LEU 861 Ca -0.15 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2aqx h LEU 861 Cb 1.90 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2aqx h LEU 861 CO 0.12 0.93 0.23 -0.33 0.09 0.00 0.00 178.44 179.48 2aqx h GLU 862 N 0.97 0.00 0.00 1.13 5.08 -1.49 -0.82 114.58 119.45 2aqx h GLU 862 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2aqx h GLU 862 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2aqx h GLU 862 CO -0.00 0.00 -0.02 0.44 -1.00 0.00 0.00 179.01 178.42 2aqx n ILE 863 N -2.94 1.51 -3.33 3.13 -5.35 -0.84 -5.02 119.36 106.52 2aqx n ILE 863 Ca -0.02 -1.76 -0.43 0.00 -0.27 0.00 0.00 62.75 60.27 2aqx n ILE 863 Cb 0.28 0.03 -0.08 0.00 -1.74 0.00 0.00 39.64 38.13 2aqx n ILE 863 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2aqx s SER 864 N -2.20 6.18 0.39 7.28 0.15 -0.31 -4.91 113.70 120.28 2aqx s SER 864 Ca 0.21 -0.84 0.08 0.00 0.70 0.00 0.00 55.95 56.10 2aqx s SER 864 Cb 0.18 -2.22 0.85 0.00 -1.71 0.00 0.00 66.02 63.12 2aqx s SER 864 CO 0.02 -0.62 1.99 1.55 1.20 0.00 0.00 173.24 177.39 2aqx h PRO 865 N 8.76 0.59 -0.08 5.44 0.13 -1.91 0.81 132.00 145.74 2aqx h PRO 865 Ca -0.27 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2aqx h PRO 865 Cb 1.11 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2aqx h PRO 865 CO 0.82 0.39 0.02 0.35 -0.23 0.00 0.00 178.00 179.36 2aqx h PHE 866 N 0.61 0.13 -0.82 1.56 3.57 -1.95 -3.18 116.94 116.87 2aqx h PHE 866 Ca 0.25 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2aqx h PHE 866 Cb 0.23 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2aqx h PHE 866 CO -0.00 0.29 0.53 0.35 -2.23 0.00 0.00 178.31 177.24 2aqx h PHE 867 N -0.06 1.05 0.00 0.41 3.57 -1.24 -2.67 116.94 117.99 2aqx h PHE 867 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2aqx h PHE 867 Cb 0.22 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2aqx h PHE 867 CO -0.00 0.67 0.00 0.36 -2.23 0.00 0.00 178.31 177.11 2aqx n LYS 868 N -4.49 0.14 -0.50 1.11 2.85 -0.17 -2.66 118.16 114.43 2aqx n LYS 868 Ca 0.08 0.30 0.07 0.00 -1.05 0.00 0.00 58.31 57.71 2aqx n LYS 868 Cb 0.03 -1.73 0.19 0.00 -0.65 0.00 0.00 35.03 32.87 2aqx n LYS 868 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2aqx s HIS 870 N -3.13 1.39 -0.52 0.00 3.76 -1.09 -1.07 115.29 114.63 2aqx s HIS 870 Ca 0.37 -0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 54.75 2aqx s HIS 870 Cb 0.35 -0.90 0.04 0.00 1.11 0.00 0.00 32.58 33.18 2aqx s HIS 870 CO -0.05 -0.04 0.96 -2.00 -0.85 0.00 0.00 174.74 172.76 2aqx s GLU 871 N -0.31 3.41 -0.81 1.40 2.12 0.22 -4.92 118.70 119.82 2aqx s GLU 871 Ca 0.05 -0.07 -0.14 0.00 0.36 0.00 0.00 54.97 55.16 2aqx s GLU 871 Cb -0.06 -4.01 0.21 0.00 0.26 0.00 0.00 34.13 30.53 2aqx s GLU 871 CO -0.00 -1.41 0.75 0.08 -0.54 0.00 0.00 175.26 174.13 2aqx s VAL 872 N 3.96 5.58 -0.05 3.70 1.01 -1.26 -2.18 120.40 131.17 2aqx s VAL 872 Ca 0.34 -2.40 0.06 0.00 0.00 0.00 0.00 61.98 59.98 2aqx s VAL 872 Cb -0.11 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2aqx s VAL 872 CO 0.22 -1.02 -0.23 -0.63 0.00 0.00 0.00 175.10 173.45 2aqx s ILE 873 N 0.27 2.31 0.00 2.22 -1.09 -1.23 -4.73 121.20 118.96 2aqx s ILE 873 Ca 0.17 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 2aqx s ILE 873 Cb -0.12 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.92 2aqx s ILE 873 CO -0.08 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2aqx n GLY 874 N 2.66 0.76 3.92 6.18 0.00 -1.26 -3.46 105.19 113.98 2aqx n GLY 874 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2aqx n GLY 874 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aqx s SER 875 N -2.59 6.20 0.21 1.61 1.04 -1.23 -4.85 113.70 114.09 2aqx s SER 875 Ca 0.00 0.81 0.07 0.00 0.48 0.00 0.00 55.95 57.31 2aqx s SER 875 Cb 0.00 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 2aqx s SER 875 CO 0.00 -0.57 -0.13 -0.44 0.98 0.00 0.00 173.24 173.08 2aqx s SER 876 N -4.11 2.50 -0.23 7.02 0.01 0.07 -1.47 113.70 117.49 2aqx s SER 876 Ca 0.47 -1.04 -0.09 0.00 1.31 0.00 0.00 55.95 56.60 2aqx s SER 876 Cb -0.10 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 2aqx s SER 876 CO 0.43 -0.21 0.11 -0.76 0.41 0.00 0.00 173.24 173.22 2aqx s LEU 877 N -3.32 3.83 -0.31 2.44 1.43 0.65 -1.47 118.68 121.94 2aqx s LEU 877 Ca 0.23 0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.24 2aqx s LEU 877 Cb 0.00 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2aqx s LEU 877 CO 0.07 0.06 0.13 -0.22 0.23 0.00 0.00 176.35 176.62 2aqx s LEU 878 N 1.09 4.03 -0.15 1.79 2.96 0.11 -0.94 118.68 127.57 2aqx s LEU 878 Ca 0.06 -0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 53.26 2aqx s LEU 878 Cb -0.14 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 2aqx s LEU 878 CO 0.04 -0.19 0.29 -0.36 -1.32 0.00 0.00 176.35 174.81 2aqx s PHE 879 N 1.58 3.49 -0.02 5.38 0.08 0.25 -1.86 117.98 126.88 2aqx s PHE 879 Ca 0.04 0.62 0.01 0.00 0.12 0.00 0.00 56.93 57.72 2aqx s PHE 879 Cb -0.17 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 39.98 2aqx s PHE 879 CO 0.05 0.30 -0.03 0.42 -0.10 0.00 0.00 175.22 175.86 2aqx s ILE 880 N 0.27 0.31 0.10 0.64 1.01 -0.03 0.13 121.20 123.63 2aqx s ILE 880 Ca 0.17 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 2aqx s ILE 880 Cb -0.13 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 2aqx s ILE 880 CO 0.04 0.14 0.15 -1.38 0.00 0.00 0.00 174.94 173.90 2aqx s HIS 881 N 0.54 0.34 0.31 3.97 -3.43 -0.80 -0.34 115.29 115.87 2aqx s HIS 881 Ca -0.06 -0.77 0.03 0.00 -0.80 0.00 0.00 55.06 53.46 2aqx s HIS 881 Cb -0.09 -0.16 -0.01 0.00 -1.43 0.00 0.00 32.58 30.89 2aqx s HIS 881 CO -0.01 -0.55 0.12 -0.40 -2.00 0.00 0.00 174.74 171.90 2aqx n ASP 882 N -0.06 1.07 0.03 7.38 5.68 -0.75 -0.23 116.55 129.67 2aqx n ASP 882 Ca -0.12 -2.64 0.16 0.00 -0.50 0.00 0.00 54.79 51.68 2aqx n ASP 882 Cb 0.62 0.81 0.64 0.00 -1.14 0.00 0.00 41.12 42.05 2aqx n ASP 882 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2aqx h LYS 883 N 0.00 0.08 0.00 0.11 1.57 -1.79 -0.91 116.57 115.63 2aqx h LYS 883 Ca -0.24 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2aqx h LYS 883 Cb 0.92 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2aqx h LYS 883 CO 0.37 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.94 2aqx n LYS 884 N -4.43 0.78 -2.03 3.15 4.01 -1.26 -4.85 118.16 113.53 2aqx n LYS 884 Ca 0.07 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.67 2aqx n LYS 884 Cb 0.46 -1.14 -0.05 0.00 -0.51 0.00 0.00 35.03 33.80 2aqx n LYS 884 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2aqx n GLU 885 N -0.64 -1.58 -2.31 1.97 1.02 -0.35 -4.96 120.64 113.80 2aqx n GLU 885 Ca 0.05 1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 57.88 2aqx n GLU 885 Cb 0.02 -5.65 -0.03 0.00 -0.02 0.00 0.00 31.44 25.77 2aqx n GLU 885 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2aqx s GLN 886 N -4.45 4.39 -0.08 3.49 -0.21 -1.26 -4.82 119.66 116.73 2aqx s GLN 886 Ca 0.00 1.92 -0.03 0.00 0.02 0.00 0.00 55.36 57.26 2aqx s GLN 886 Cb 0.00 -3.29 0.04 0.00 1.00 0.00 0.00 33.01 30.77 2aqx s GLN 886 CO 0.00 -0.30 0.17 0.00 -2.12 0.00 0.00 175.29 173.03 2aqx s ALA 887 N 0.88 -0.29 0.27 6.09 0.00 -1.26 -1.81 121.76 125.63 2aqx s ALA 887 Ca 0.60 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 2aqx s ALA 887 Cb -0.33 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2aqx s ALA 887 CO 0.31 -0.27 0.33 0.15 0.00 0.00 0.00 175.76 176.27 2aqx s LYS 888 N 1.49 1.54 -0.12 0.00 1.02 0.54 -4.71 119.74 119.51 2aqx s LYS 888 Ca -0.06 -1.61 -0.06 0.00 0.02 0.00 0.00 55.97 54.25 2aqx s LYS 888 Cb -0.12 0.37 0.05 0.00 -0.52 0.00 0.00 37.83 37.62 2aqx s LYS 888 CO -0.06 -0.59 0.28 0.08 -0.92 0.00 0.00 175.35 174.13 2aqx s VAL 889 N -3.75 -0.03 0.13 3.17 1.01 -1.26 -0.85 120.40 118.82 2aqx s VAL 889 Ca 0.33 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.49 2aqx s VAL 889 Cb 0.02 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2aqx s VAL 889 CO 0.15 0.05 -0.15 0.26 0.00 0.00 0.00 175.10 175.42 2aqx s TRP 890 N 1.16 1.46 0.09 5.22 0.51 -0.78 -4.92 118.94 121.69 2aqx s TRP 890 Ca -0.08 -0.55 -0.25 0.00 -2.12 0.00 0.00 56.10 53.10 2aqx s TRP 890 Cb -0.09 -0.76 -0.06 0.00 -0.81 0.00 0.00 33.47 31.75 2aqx s TRP 890 CO -0.08 0.17 0.77 -1.64 -0.51 0.00 0.00 176.95 175.65 2aqx s MET 891 N -2.71 4.52 0.08 4.98 -1.94 0.53 -0.72 119.30 124.04 2aqx s MET 891 Ca 0.10 1.10 -0.01 0.00 -1.71 0.00 0.00 55.69 55.16 2aqx s MET 891 Cb -0.05 -3.32 -0.04 0.00 2.01 0.00 0.00 34.83 33.43 2aqx s MET 891 CO 0.03 0.41 0.01 0.96 -0.01 0.00 0.00 175.02 176.42 2aqx s ILE 892 N -0.52 0.18 -0.16 2.53 -4.36 -0.54 -4.19 121.20 114.14 2aqx s ILE 892 Ca 0.37 -1.83 -0.03 0.00 -0.26 0.00 0.00 60.65 58.90 2aqx s ILE 892 Cb -0.22 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 41.82 2aqx s ILE 892 CO 0.24 -0.81 0.06 -0.67 0.24 0.00 0.00 174.94 174.00 2aqx n ASP 893 N 0.04 -3.80 -0.74 4.36 2.03 -1.26 -0.75 116.55 116.42 2aqx n ASP 893 Ca -0.11 0.86 0.07 0.00 0.52 0.00 0.00 54.79 56.13 2aqx n ASP 893 Cb 0.62 -3.64 0.21 0.00 -0.72 0.00 0.00 41.12 37.58 2aqx n ASP 893 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2aqx n PHE 894 N 0.68 0.70 -0.41 -0.67 3.72 -1.26 -3.47 117.46 116.75 2aqx n PHE 894 Ca -0.11 -0.72 0.33 0.00 -0.05 0.00 0.00 57.45 56.91 2aqx n PHE 894 Cb 0.16 -0.19 0.61 0.00 -0.94 0.00 0.00 39.48 39.12 2aqx n PHE 894 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2aqx h GLY 895 N 1.79 1.44 -2.00 1.37 0.00 -1.88 -1.78 103.07 102.02 2aqx h GLY 895 Ca 0.00 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 2aqx h GLY 895 CO 0.12 -0.40 -0.63 0.28 0.00 0.00 0.00 176.54 175.91 2aqx n LYS 896 N -4.76 2.16 -3.63 4.80 5.02 -1.26 -4.47 118.16 116.01 2aqx n LYS 896 Ca 0.35 -3.53 -0.39 0.00 -2.02 0.00 0.00 58.31 52.72 2aqx n LYS 896 Cb 1.30 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 34.43 2aqx n LYS 896 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2aqx s THR 897 N -3.55 4.75 0.07 -0.18 2.01 -0.67 -3.48 115.64 114.59 2aqx s THR 897 Ca 0.42 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.17 2aqx s THR 897 Cb 0.38 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2aqx s THR 897 CO -0.04 0.08 -0.25 0.42 -0.69 0.00 0.00 174.62 174.14 2aqx s THR 898 N 1.64 2.05 0.29 -0.82 -4.23 -0.93 -4.86 115.64 108.79 2aqx s THR 898 Ca 0.05 -1.44 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 2aqx s THR 898 Cb -0.17 -1.78 -0.10 0.00 1.34 0.00 0.00 72.50 71.80 2aqx s THR 898 CO 0.07 0.26 1.15 -2.16 -0.54 0.00 0.00 174.62 173.40 2aqx s PRO 899 N -1.43 4.56 0.93 3.99 0.04 -1.26 -0.61 135.00 141.22 2aqx s PRO 899 Ca 0.11 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 2aqx s PRO 899 Cb -0.10 -3.15 0.15 0.00 0.04 0.00 0.00 34.50 31.44 2aqx s PRO 899 CO 0.03 0.11 1.09 -0.51 0.04 0.00 0.00 177.00 177.76 2aqx s LEU 900 N -1.55 2.03 0.61 -3.56 1.43 -0.24 -4.85 118.68 112.55 2aqx s LEU 900 Ca 0.46 1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 2aqx s LEU 900 Cb -0.34 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.11 2aqx s LEU 900 CO 0.44 -2.81 0.84 -2.65 0.23 0.00 0.00 176.35 172.40 2aqx n PRO 901 N -3.99 0.75 -1.82 1.29 -0.02 -1.26 -4.89 135.00 125.06 2aqx n PRO 901 Ca 0.06 0.30 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 2aqx n PRO 901 Cb 0.56 -2.05 0.04 0.00 -0.02 0.00 0.00 33.50 32.03 2aqx n PRO 901 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2aqx s GLU 902 N -2.63 3.17 -1.54 -0.52 2.12 -1.26 -2.49 118.70 115.55 2aqx s GLU 902 Ca 0.75 2.19 -0.01 0.00 0.36 0.00 0.00 54.97 58.26 2aqx s GLU 902 Cb -0.42 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 31.72 2aqx s GLU 902 CO 0.48 -1.15 0.07 0.41 -0.54 0.00 0.00 175.26 174.54 2aqx n GLY 903 N 0.70 -0.39 3.08 -1.50 0.00 -1.26 -5.00 105.19 100.82 2aqx n GLY 903 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2aqx n GLY 903 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2aqx s GLN 904 N -5.00 0.58 0.06 1.61 0.74 -1.04 -5.16 119.66 111.45 2aqx s GLN 904 Ca 0.04 -0.87 -0.01 0.00 0.05 0.00 0.00 55.36 54.57 2aqx s GLN 904 Cb -0.02 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 2aqx s GLN 904 CO 0.04 0.03 -0.03 -0.08 -0.55 0.00 0.00 175.29 174.71 2aqx s THR 905 N -1.84 0.29 0.06 -0.34 -1.32 -1.26 -4.61 115.64 106.62 2aqx s THR 905 Ca -0.06 -1.83 0.08 0.00 -1.21 0.00 0.00 61.69 58.67 2aqx s THR 905 Cb -0.07 -1.56 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 2aqx s THR 905 CO -0.01 -0.97 -0.21 -0.76 -2.21 0.00 0.00 174.62 170.47 2aqx s LEU 906 N -2.94 2.21 -0.11 9.08 1.02 -0.18 -5.02 118.68 122.74 2aqx s LEU 906 Ca 0.08 -0.58 -0.25 0.00 0.02 0.00 0.00 54.13 53.40 2aqx s LEU 906 Cb 0.08 -0.97 -0.27 0.00 0.02 0.00 0.00 46.19 45.05 2aqx s LEU 906 CO -0.09 0.14 0.76 1.56 0.02 0.00 0.00 176.35 178.73 2aqx h GLN 907 N 4.62 0.11 0.00 1.70 1.08 -1.96 -3.46 115.11 117.21 2aqx h GLN 907 Ca -0.44 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 2aqx h GLN 907 Cb 1.17 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2aqx h GLN 907 CO 0.42 1.09 0.00 0.72 -0.95 0.00 0.00 178.83 180.12 2aqx n HIS 908 N -4.40 0.00 -0.01 2.96 8.25 -1.26 -4.75 115.22 116.01 2aqx n HIS 908 Ca -0.14 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.34 2aqx n HIS 908 Cb 0.63 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.78 2aqx n HIS 908 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2aqx n ASP 909 N 0.00 2.05 -4.72 0.41 3.85 -1.26 -0.07 116.55 116.80 2aqx n ASP 909 Ca 0.00 -1.83 -0.24 0.00 -0.71 0.00 0.00 54.79 52.01 2aqx n ASP 909 Cb 0.00 -0.05 -0.06 0.00 -1.35 0.00 0.00 41.12 39.66 2aqx n ASP 909 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 2aqx s VAL 910 N -0.86 3.95 0.58 2.12 -7.23 -1.26 -4.74 120.40 112.96 2aqx s VAL 910 Ca 0.05 -1.53 -0.20 0.00 -1.81 0.00 0.00 61.98 58.49 2aqx s VAL 910 Cb 0.03 -3.08 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2aqx s VAL 910 CO 0.04 -0.27 1.31 -2.84 -0.31 0.00 0.00 175.10 173.03 2aqx s PRO 911 N -3.47 2.98 0.13 4.82 0.02 -1.26 -4.10 135.00 134.13 2aqx s PRO 911 Ca 0.31 2.10 -0.19 0.00 0.02 0.00 0.00 61.00 63.24 2aqx s PRO 911 Cb -0.08 -2.10 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 2aqx s PRO 911 CO 0.21 -1.27 0.62 -0.46 -0.33 0.00 0.00 177.00 175.77 2aqx s TRP 912 N -1.38 3.73 -0.03 6.54 -0.00 -1.26 -4.84 118.94 121.70 2aqx s TRP 912 Ca 0.75 1.28 -0.01 0.00 -0.00 0.00 0.00 56.10 58.13 2aqx s TRP 912 Cb -0.38 -2.52 0.03 0.00 -0.00 0.00 0.00 33.47 30.61 2aqx s TRP 912 CO 0.43 0.49 0.06 -0.65 -0.00 0.00 0.00 176.95 177.28 2aqx s GLN 913 N -1.51 -0.01 -0.05 5.86 -0.21 -1.26 -5.05 119.66 117.43 2aqx s GLN 913 Ca 0.35 0.25 -0.22 0.00 0.02 0.00 0.00 55.36 55.75 2aqx s GLN 913 Cb -0.18 -0.24 -0.11 0.00 1.00 0.00 0.00 33.01 33.48 2aqx s GLN 913 CO 0.20 -0.17 0.63 -1.91 -2.12 0.00 0.00 175.29 171.92 2aqx n GLU 914 N 4.24 0.00 0.00 2.91 2.13 -1.26 0.52 120.64 129.18 2aqx n GLU 914 Ca -0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.55 2aqx n GLU 914 Cb 0.50 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.40 2aqx n GLU 914 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aqx n GLY 915 N 1.05 2.62 0.25 8.31 0.00 -1.26 -4.86 105.19 111.30 2aqx n GLY 915 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2aqx n GLY 915 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aqx n ASN 916 N 0.00 1.20 0.00 1.61 6.94 0.18 -4.96 115.26 120.23 2aqx n ASN 916 Ca 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.59 2aqx n ASN 916 Cb 0.00 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 2aqx n ASN 916 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2aqx n ARG 917 N -0.68 -0.60 -2.15 -3.83 1.74 -1.26 -4.91 116.66 104.97 2aqx n ARG 917 Ca 0.10 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 2aqx n ARG 917 Cb 0.37 -4.61 -0.03 0.00 -1.02 0.00 0.00 32.46 27.17 2aqx n ARG 917 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2aqx s GLU 918 N -1.29 4.36 -0.01 5.56 0.41 -1.26 -4.86 118.70 121.61 2aqx s GLU 918 Ca 0.00 2.14 0.19 0.00 -0.41 0.00 0.00 54.97 56.90 2aqx s GLU 918 Cb 0.00 -3.15 -0.25 0.00 -1.78 0.00 0.00 34.13 28.96 2aqx s GLU 918 CO 0.00 -0.27 0.68 -0.40 -0.49 0.00 0.00 175.26 174.78 2aqx n ASP 919 N 2.17 0.74 -0.80 -0.19 5.68 -1.26 -4.54 116.55 118.34 2aqx n ASP 919 Ca 0.05 -0.60 -0.10 0.00 -0.50 0.00 0.00 54.79 53.64 2aqx n ASP 919 Cb 0.42 1.34 -0.04 0.00 -1.14 0.00 0.00 41.12 41.69 2aqx n ASP 919 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aqx n GLY 920 N 1.42 1.16 0.17 6.12 0.00 -1.26 -0.76 105.19 112.05 2aqx n GLY 920 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 2aqx n GLY 920 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2aqx h TYR 921 N 0.00 -0.01 0.00 1.61 3.20 -1.82 -1.81 116.97 118.14 2aqx h TYR 921 Ca -0.21 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 2aqx h TYR 921 Cb 0.78 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2aqx h TYR 921 CO 0.35 -0.07 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.51 2aqx h LEU 922 N 0.12 0.00 -0.17 2.82 3.38 -0.84 -1.35 115.31 119.27 2aqx h LEU 922 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2aqx h LEU 922 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2aqx h LEU 922 CO -0.33 0.22 -0.02 0.28 0.09 0.00 0.00 178.44 178.68 2aqx h SER 923 N 0.00 0.30 -0.30 -0.43 0.02 -1.37 0.64 113.55 112.42 2aqx h SER 923 Ca -0.00 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2aqx h SER 923 Cb 0.66 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 2aqx h SER 923 CO 0.03 0.57 0.03 1.23 -1.14 0.00 0.00 176.83 177.55 2aqx h GLY 924 N 0.04 0.32 1.03 -3.77 0.00 -1.09 -1.14 103.07 98.45 2aqx h GLY 924 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 2aqx h GLY 924 CO 0.01 -0.04 0.24 -2.00 0.00 0.00 0.00 176.54 174.75 2aqx h LEU 925 N 0.13 0.97 -0.93 3.11 5.85 -1.07 -0.94 115.31 122.42 2aqx h LEU 925 Ca 0.14 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2aqx h LEU 925 Cb 0.17 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2aqx h LEU 925 CO -0.21 0.90 0.58 0.44 -0.34 0.00 0.00 178.44 179.81 2aqx h ASP 926 N 0.98 1.10 -0.37 1.25 3.32 0.62 -2.00 116.42 121.32 2aqx h ASP 926 Ca 0.22 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2aqx h ASP 926 Cb 0.26 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2aqx h ASP 926 CO -0.01 0.83 0.15 0.78 -1.72 0.00 0.00 179.24 179.28 2aqx h ASN 927 N 1.28 0.51 -0.96 6.45 2.35 -0.78 0.10 115.58 124.53 2aqx h ASN 927 Ca 0.34 -0.16 0.13 0.00 -0.55 0.00 0.00 56.30 56.06 2aqx h ASN 927 Cb -0.08 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.07 2aqx h ASN 927 CO -0.07 0.53 0.58 -0.07 -1.65 0.00 0.00 177.43 176.76 2aqx h LEU 928 N 0.46 0.82 -0.23 1.61 4.07 -1.06 -0.72 115.31 120.26 2aqx h LEU 928 Ca 0.13 0.06 -0.09 0.00 0.08 0.00 0.00 57.88 58.06 2aqx h LEU 928 Cb 0.18 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 2aqx h LEU 928 CO -0.01 0.41 -0.21 0.40 -1.08 0.00 0.00 178.44 177.94 2aqx h ILE 929 N 0.88 1.32 -0.19 1.22 2.04 -0.54 -0.91 117.51 121.33 2aqx h ILE 929 Ca 0.49 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2aqx h ILE 929 Cb 0.56 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2aqx h ILE 929 CO -0.30 0.42 0.01 0.44 0.00 0.00 0.00 178.15 178.73 2aqx h ASP 930 N 0.25 -0.04 0.02 1.72 3.32 -0.57 -0.35 116.42 120.76 2aqx h ASP 930 Ca 0.04 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2aqx h ASP 930 Cb 0.76 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2aqx h ASP 930 CO 0.05 0.00 -0.06 0.40 -1.72 0.00 0.00 179.24 177.92 2aqx h ILE 931 N 0.08 0.84 0.00 0.35 2.04 -1.09 0.26 117.51 120.00 2aqx h ILE 931 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 2aqx h ILE 931 Cb 0.10 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2aqx h ILE 931 CO -0.14 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.73 2aqx h LEU 932 N -0.12 0.00 0.01 1.44 3.38 -0.96 -0.81 115.31 118.24 2aqx h LEU 932 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2aqx h LEU 932 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2aqx h LEU 932 CO -0.05 0.21 -0.13 0.74 0.09 0.00 0.00 178.44 179.30 2aqx h THR 933 N 0.00 1.63 -0.77 0.22 2.02 -0.74 -2.63 112.91 112.65 2aqx h THR 933 Ca -0.00 -2.01 0.12 0.00 0.77 0.00 0.00 66.41 65.28 2aqx h THR 933 Cb 0.60 2.96 -0.08 0.00 -1.74 0.00 0.00 68.15 69.88 2aqx h THR 933 CO 0.03 0.54 0.38 -0.08 0.37 0.00 0.00 175.52 176.75 2aqx h GLU 934 N -0.70 0.58 0.00 6.66 4.81 -0.76 -1.33 114.58 123.84 2aqx h GLU 934 Ca -0.02 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2aqx h GLU 934 Cb 0.95 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2aqx h GLU 934 CO 0.03 0.38 -0.43 0.52 -0.73 0.00 0.00 179.01 178.78 2aqx h MET 935 N 0.60 0.00 -0.00 1.92 2.86 -1.23 -3.10 114.93 115.97 2aqx h MET 935 Ca 0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 2aqx h MET 935 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2aqx h MET 935 CO -0.31 0.43 -0.26 -1.13 1.06 0.00 0.00 176.91 176.70 2aqx n SER 936 N -3.96 0.49 0.00 1.22 3.41 -0.57 -3.82 113.62 110.39 2aqx n SER 936 Ca -0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2aqx n SER 936 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2aqx n SER 936 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aqx n GLN 937 N -1.20 0.00 0.00 4.33 3.00 -0.82 -4.99 117.38 117.70 2aqx n GLN 937 Ca 0.09 0.41 0.06 0.00 -0.01 0.00 0.00 57.00 57.56 2aqx n GLN 937 Cb 0.32 -0.91 0.36 0.00 0.00 0.00 0.00 30.24 30.01 2aqx n GLN 937 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47