#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9k n ASP 703 N 0.00 2.73 -2.09 4.31 5.68 -1.26 -4.72 116.55 121.20 1b9k n ASP 703 Ca 0.00 -3.00 -0.13 0.00 -0.50 0.00 0.00 54.79 51.17 1b9k n ASP 703 Cb 0.00 0.48 0.25 0.00 -1.14 0.00 0.00 41.12 40.72 1b9k n ASP 703 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1b9k n ASN 704 N -1.35 4.41 -0.30 -1.12 4.13 0.44 -4.79 115.26 116.67 1b9k n ASN 704 Ca -0.15 -3.34 0.05 0.00 1.68 0.00 0.00 54.58 52.81 1b9k n ASN 704 Cb 0.57 -0.78 0.11 0.00 -1.54 0.00 0.00 39.78 38.14 1b9k n ASN 704 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1b9k n PHE 705 N -0.51 0.29 0.28 3.10 7.35 -1.26 -1.40 117.46 125.30 1b9k n PHE 705 Ca 0.48 1.02 0.16 0.00 -0.76 0.00 0.00 57.45 58.35 1b9k n PHE 705 Cb 1.49 -0.98 0.80 0.00 0.35 0.00 0.00 39.48 41.14 1b9k n PHE 705 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1b9k h ALA 706 N 1.65 1.12 0.00 3.13 0.00 -1.98 -1.95 119.26 121.23 1b9k h ALA 706 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1b9k h ALA 706 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1b9k h ALA 706 CO -0.86 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.02 1b9k n ARG 707 N -3.34 0.18 -0.65 0.00 3.00 -0.50 -3.21 116.66 112.14 1b9k n ARG 707 Ca -0.01 0.25 0.09 0.00 -0.01 0.00 0.00 57.85 58.16 1b9k n ARG 707 Cb 0.24 -1.75 0.36 0.00 0.00 0.00 0.00 32.46 31.31 1b9k n ARG 707 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1b9k n PHE 708 N -2.08 1.56 0.02 -1.55 3.01 -0.73 -4.06 117.46 113.62 1b9k n PHE 708 Ca 0.05 -0.61 -0.18 0.00 1.01 0.00 0.00 57.45 57.72 1b9k n PHE 708 Cb 0.34 -0.28 -0.12 0.00 -0.01 0.00 0.00 39.48 39.41 1b9k n PHE 708 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1b9k h VAL 709 N 4.07 1.44 -0.21 -4.37 2.07 -1.67 -3.34 116.25 114.22 1b9k h VAL 709 Ca 0.00 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1b9k h VAL 709 Cb 1.51 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 1b9k h VAL 709 CO 0.27 0.63 0.00 0.00 0.02 0.00 0.00 177.57 178.49 1b9k s LYS 711 N -1.75 1.02 -0.00 0.00 -2.85 -1.26 -4.47 119.74 110.43 1b9k s LYS 711 Ca 0.34 -1.49 0.04 0.00 -1.00 0.00 0.00 55.97 53.86 1b9k s LYS 711 Cb 0.21 -0.01 -0.06 0.00 -2.06 0.00 0.00 37.83 35.92 1b9k s LYS 711 CO 0.31 -0.20 0.11 0.09 0.10 0.00 0.00 175.35 175.76 1b9k n ASN 712 N -0.17 3.08 -4.41 0.03 3.02 -1.26 -4.49 115.26 111.06 1b9k n ASN 712 Ca -0.06 -0.15 -0.31 0.00 -0.03 0.00 0.00 54.58 54.03 1b9k n ASN 712 Cb 0.63 1.14 -0.14 0.00 -0.61 0.00 0.00 39.78 40.81 1b9k n ASN 712 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1b9k s ASN 713 N -2.19 3.52 0.00 6.41 0.01 -1.26 -2.91 114.94 118.53 1b9k s ASN 713 Ca -0.01 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1b9k s ASN 713 Cb 0.03 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.21 1b9k s ASN 713 CO 0.17 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.63 1b9k n GLY 714 N 1.70 -0.01 3.64 0.66 0.00 -0.39 -4.99 105.19 105.79 1b9k n GLY 714 Ca -0.16 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1b9k n GLY 714 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b9k s VAL 715 N -2.22 4.83 -0.03 1.61 1.01 -1.26 -0.67 120.40 123.66 1b9k s VAL 715 Ca 0.00 1.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.35 1b9k s VAL 715 Cb 0.00 -4.12 -0.31 0.00 0.00 0.00 0.00 36.38 31.95 1b9k s VAL 715 CO 0.00 -0.11 0.73 0.25 0.00 0.00 0.00 175.10 175.97 1b9k h LEU 716 N 9.24 0.64 -7.09 3.92 5.85 -1.30 -3.43 115.31 123.13 1b9k h LEU 716 Ca -0.23 -0.90 -0.07 0.00 0.84 0.00 0.00 57.88 57.52 1b9k h LEU 716 Cb 1.09 -0.21 -0.20 0.00 0.37 0.00 0.00 40.66 41.71 1b9k h LEU 716 CO 0.87 1.76 0.07 0.12 -0.34 0.00 0.00 178.44 180.92 1b9k s PHE 717 N -2.58 -0.63 -0.15 1.25 2.19 -1.03 -0.42 117.98 116.61 1b9k s PHE 717 Ca -0.15 1.29 -0.07 0.00 0.33 0.00 0.00 56.93 58.34 1b9k s PHE 717 Cb 0.05 0.30 0.06 0.00 -1.31 0.00 0.00 43.02 42.13 1b9k s PHE 717 CO 0.87 -0.47 0.33 -2.00 1.83 0.00 0.00 175.22 175.78 1b9k s GLU 718 N -0.55 0.27 0.00 10.12 2.12 -1.26 -0.87 118.70 128.53 1b9k s GLU 718 Ca -0.07 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.02 1b9k s GLU 718 Cb -0.03 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.38 1b9k s GLU 718 CO 0.05 -0.21 0.00 0.27 -0.54 0.00 0.00 175.26 174.84 1b9k n ASN 719 N 4.74 1.75 -0.44 -1.70 0.23 -0.14 -5.00 115.26 114.69 1b9k n ASN 719 Ca -0.17 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 53.98 1b9k n ASN 719 Cb 0.52 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.59 1b9k n ASN 719 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1b9k n GLN 720 N 0.00 1.58 -0.01 -3.83 6.02 -1.26 -4.00 117.38 115.88 1b9k n GLN 720 Ca 0.00 -0.88 -0.01 0.00 -0.01 0.00 0.00 57.00 56.10 1b9k n GLN 720 Cb 0.00 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 1b9k n GLN 720 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1b9k n LEU 721 N 0.11 0.00 -3.91 1.08 4.77 -1.26 -4.84 117.00 112.96 1b9k n LEU 721 Ca 0.15 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 1b9k n LEU 721 Cb 0.27 0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.28 1b9k n LEU 721 CO 0.12 0.05 -0.35 -0.22 -1.33 0.00 0.00 177.39 175.66 1b9k s LEU 722 N -4.10 2.05 -0.07 2.23 2.96 -1.26 -1.47 118.68 119.03 1b9k s LEU 722 Ca -0.01 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1b9k s LEU 722 Cb 0.01 0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.76 1b9k s LEU 722 CO 0.09 -0.12 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.19 1b9k s GLN 723 N -0.56 2.66 -0.22 1.98 0.74 -0.74 -0.97 119.66 122.55 1b9k s GLN 723 Ca -0.06 -0.86 0.01 0.00 0.05 0.00 0.00 55.36 54.50 1b9k s GLN 723 Cb -0.04 -2.24 0.04 0.00 1.10 0.00 0.00 33.01 31.87 1b9k s GLN 723 CO -0.00 0.37 -0.14 0.42 -0.55 0.00 0.00 175.29 175.39 1b9k s ILE 724 N -0.13 2.23 0.27 -2.34 1.01 -0.04 -0.45 121.20 121.75 1b9k s ILE 724 Ca -0.04 -1.23 0.09 0.00 0.00 0.00 0.00 60.65 59.46 1b9k s ILE 724 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1b9k s ILE 724 CO 0.04 0.26 0.07 -0.83 0.00 0.00 0.00 174.94 174.48 1b9k s GLY 725 N 1.22 1.62 0.02 6.18 0.00 0.09 -0.81 107.32 115.64 1b9k s GLY 725 Ca -0.01 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.11 1b9k s GLY 725 CO -0.08 -1.65 -0.05 1.08 0.00 0.00 0.00 173.10 172.40 1b9k s LEU 726 N -3.75 2.15 -0.05 0.66 1.43 0.15 -0.87 118.68 118.41 1b9k s LEU 726 Ca 0.33 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1b9k s LEU 726 Cb -0.06 -0.09 0.04 0.00 0.03 0.00 0.00 46.19 46.11 1b9k s LEU 726 CO 0.22 -0.14 0.09 -0.54 0.23 0.00 0.00 176.35 176.21 1b9k s LYS 727 N -0.96 -0.03 0.10 1.70 1.02 -0.32 -1.27 119.74 119.98 1b9k s LYS 727 Ca -0.07 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.37 1b9k s LYS 727 Cb -0.07 -0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 36.83 1b9k s LYS 727 CO -0.00 -0.29 -0.11 -1.12 -0.92 0.00 0.00 175.35 172.91 1b9k s SER 728 N 2.01 1.58 -0.10 2.83 0.01 -1.14 0.02 113.70 118.91 1b9k s SER 728 Ca 0.02 -0.81 -0.07 0.00 1.31 0.00 0.00 55.95 56.39 1b9k s SER 728 Cb -0.12 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1b9k s SER 728 CO -0.04 -0.23 0.24 -1.83 0.41 0.00 0.00 173.24 171.79 1b9k s GLU 729 N -2.75 0.25 0.06 12.44 -1.05 -0.61 -4.85 118.70 122.20 1b9k s GLU 729 Ca 0.06 0.40 0.07 0.00 -0.15 0.00 0.00 54.97 55.35 1b9k s GLU 729 Cb -0.03 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.68 1b9k s GLU 729 CO 0.01 -0.08 -0.19 -0.06 0.95 0.00 0.00 175.26 175.89 1b9k s PHE 730 N 0.51 1.68 -0.25 4.83 0.40 -1.26 -0.84 117.98 123.05 1b9k s PHE 730 Ca -0.03 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.77 1b9k s PHE 730 Cb -0.05 -0.97 0.07 0.00 0.51 0.00 0.00 43.02 42.58 1b9k s PHE 730 CO -0.03 0.11 0.62 0.50 0.70 0.00 0.00 175.22 177.12 1b9k s ARG 731 N -1.41 0.63 7.03 0.44 3.52 0.03 -4.99 118.95 124.20 1b9k s ARG 731 Ca 0.06 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.75 1b9k s ARG 731 Cb -0.09 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 1b9k s ARG 731 CO 0.02 -0.15 0.00 0.94 -0.81 0.00 0.00 175.30 175.31 1b9k n GLN 732 N 4.21 0.00 -0.84 5.12 -0.06 -1.26 -1.35 117.38 123.21 1b9k n GLN 732 Ca -0.20 0.00 0.07 0.00 -2.00 0.00 0.00 57.00 54.87 1b9k n GLN 732 Cb 0.58 0.00 0.38 0.00 -4.06 0.00 0.00 30.24 27.14 1b9k n GLN 732 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1b9k n ASN 733 N 5.66 5.46 -4.54 1.69 6.94 -1.26 -4.68 115.26 124.52 1b9k n ASN 733 Ca 0.00 -2.96 -0.25 0.00 -0.02 0.00 0.00 54.58 51.35 1b9k n ASN 733 Cb 0.00 -0.67 -0.10 0.00 -2.36 0.00 0.00 39.78 36.65 1b9k n ASN 733 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b9k s LEU 734 N -2.79 2.74 0.22 -4.53 1.43 -0.46 -0.11 118.68 115.18 1b9k s LEU 734 Ca 0.53 -1.10 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 1b9k s LEU 734 Cb 0.41 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 45.53 1b9k s LEU 734 CO 0.15 -0.13 0.52 -0.83 0.23 0.00 0.00 176.35 176.29 1b9k s GLY 735 N -3.60 0.12 -0.04 -3.19 0.00 -0.58 -0.79 107.32 99.24 1b9k s GLY 735 Ca 0.32 -0.46 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 1b9k s GLY 735 CO 0.17 -0.38 0.06 -1.60 0.00 0.00 0.00 173.10 171.34 1b9k s ARG 736 N -3.93 -0.06 -0.17 2.90 3.52 -0.02 -0.92 118.95 120.27 1b9k s ARG 736 Ca 0.14 0.33 -0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1b9k s ARG 736 Cb -0.01 -0.43 0.00 0.00 -1.56 0.00 0.00 34.95 32.95 1b9k s ARG 736 CO 0.02 -0.28 -0.14 1.41 -0.81 0.00 0.00 175.30 175.50 1b9k s MET 737 N 1.86 3.21 -0.20 5.12 -2.45 -0.04 -1.57 119.30 125.22 1b9k s MET 737 Ca 0.01 -0.74 -0.15 0.00 -1.25 0.00 0.00 55.69 53.56 1b9k s MET 737 Cb -0.12 -2.70 -0.04 0.00 1.25 0.00 0.00 34.83 33.22 1b9k s MET 737 CO -0.03 -0.07 0.36 -0.06 1.05 0.00 0.00 175.02 176.27 1b9k s PHE 738 N 1.04 3.37 -0.18 4.11 0.40 0.10 -0.08 117.98 126.74 1b9k s PHE 738 Ca -0.01 0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 56.85 1b9k s PHE 738 Cb -0.15 -2.48 -0.02 0.00 0.51 0.00 0.00 43.02 40.88 1b9k s PHE 738 CO -0.03 0.02 -0.03 0.42 0.70 0.00 0.00 175.22 176.29 1b9k s ILE 739 N 1.22 3.75 -0.19 0.64 1.01 0.46 -1.18 121.20 126.90 1b9k s ILE 739 Ca 0.18 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 1b9k s ILE 739 Cb -0.14 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 1b9k s ILE 739 CO 0.07 0.46 -0.10 -0.36 0.00 0.00 0.00 174.94 175.01 1b9k s PHE 740 N 0.82 2.89 -0.39 3.97 0.08 -0.05 -0.75 117.98 124.54 1b9k s PHE 740 Ca -0.01 -1.06 -0.11 0.00 0.12 0.00 0.00 56.93 55.88 1b9k s PHE 740 Cb -0.14 -2.01 0.04 0.00 -0.57 0.00 0.00 43.02 40.34 1b9k s PHE 740 CO 0.02 -0.55 0.24 0.71 -0.10 0.00 0.00 175.22 175.53 1b9k s TYR 741 N 1.23 3.27 -0.15 0.36 2.02 0.04 -0.73 117.35 123.40 1b9k s TYR 741 Ca 0.03 -1.11 -0.04 0.00 -0.37 0.00 0.00 57.07 55.57 1b9k s TYR 741 Cb -0.14 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 1b9k s TYR 741 CO -0.04 -0.72 0.01 0.20 -1.57 0.00 0.00 175.55 173.43 1b9k s GLY 742 N 1.78 1.82 -0.39 0.71 0.00 0.40 -1.55 107.32 110.09 1b9k s GLY 742 Ca 0.02 -0.79 -0.20 0.00 0.00 0.00 0.00 44.72 43.75 1b9k s GLY 742 CO 0.05 -0.16 0.62 0.21 0.00 0.00 0.00 173.10 173.83 1b9k s ASN 743 N 0.03 6.36 0.00 1.64 3.84 -0.26 -1.80 114.94 124.76 1b9k s ASN 743 Ca 0.03 -0.11 0.22 0.00 0.21 0.00 0.00 52.86 53.20 1b9k s ASN 743 Cb -0.13 -2.31 0.90 0.00 -0.55 0.00 0.00 41.25 39.16 1b9k s ASN 743 CO 0.02 -0.66 1.63 0.29 -2.79 0.00 0.00 177.10 175.59 1b9k n LYS 744 N 6.10 1.58 -3.08 0.43 5.02 -0.54 -0.89 118.16 126.77 1b9k n LYS 744 Ca -0.02 -0.86 -0.19 0.00 -2.02 0.00 0.00 58.31 55.22 1b9k n LYS 744 Cb 0.48 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 34.12 1b9k n LYS 744 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1b9k n THR 745 N 0.08 0.00 -0.58 -0.18 -2.24 -1.26 -4.81 114.28 105.28 1b9k n THR 745 Ca 0.17 -1.67 0.09 0.00 -2.27 0.00 0.00 64.05 60.36 1b9k n THR 745 Cb 0.28 -0.30 0.32 0.00 -2.10 0.00 0.00 70.33 68.53 1b9k n THR 745 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b9k n SER 746 N -2.08 4.34 -4.14 3.42 3.41 -1.26 -2.31 113.62 115.01 1b9k n SER 746 Ca 0.04 -2.41 -0.19 0.00 -0.26 0.00 0.00 58.87 56.04 1b9k n SER 746 Cb 0.49 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.80 1b9k n SER 746 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1b9k s THR 747 N -1.77 1.06 0.38 6.66 -4.23 -1.26 -4.68 115.64 111.79 1b9k s THR 747 Ca 0.46 -1.02 -0.25 0.00 -1.18 0.00 0.00 61.69 59.70 1b9k s THR 747 Cb 0.29 -0.97 -0.09 0.00 1.34 0.00 0.00 72.50 73.07 1b9k s THR 747 CO 0.22 -0.04 1.07 -1.58 -0.54 0.00 0.00 174.62 173.75 1b9k s GLN 748 N -1.21 4.22 0.08 3.99 0.74 -1.26 -3.10 119.66 123.12 1b9k s GLN 748 Ca 0.00 1.61 -0.17 0.00 0.05 0.00 0.00 55.36 56.85 1b9k s GLN 748 Cb -0.08 -2.67 -0.07 0.00 1.10 0.00 0.00 33.01 31.29 1b9k s GLN 748 CO 0.01 -0.11 0.54 -0.06 -0.55 0.00 0.00 175.29 175.13 1b9k s PHE 749 N -1.53 3.74 0.26 1.67 0.08 -0.18 -4.71 117.98 117.32 1b9k s PHE 749 Ca 0.55 1.18 0.12 0.00 0.12 0.00 0.00 56.93 58.90 1b9k s PHE 749 Cb -0.25 -2.44 -0.05 0.00 -0.57 0.00 0.00 43.02 39.71 1b9k s PHE 749 CO 0.31 0.55 -0.19 -0.51 -0.10 0.00 0.00 175.22 175.29 1b9k s LEU 750 N -1.33 2.63 -1.56 -0.37 1.43 -0.56 -2.04 118.68 116.87 1b9k s LEU 750 Ca 0.31 -0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 1b9k s LEU 750 Cb -0.18 -1.18 0.10 0.00 0.03 0.00 0.00 46.19 44.96 1b9k s LEU 750 CO 0.18 0.05 0.86 0.59 0.23 0.00 0.00 176.35 178.26 1b9k n ASN 751 N -0.50 -3.73 -4.59 2.29 4.13 -1.09 -1.40 115.26 110.37 1b9k n ASN 751 Ca -0.06 -0.87 -0.42 0.00 1.68 0.00 0.00 54.58 54.90 1b9k n ASN 751 Cb 0.59 -3.47 -0.03 0.00 -1.54 0.00 0.00 39.78 35.33 1b9k n ASN 751 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1b9k s PHE 752 N -3.37 1.97 -0.29 3.10 5.36 0.04 -4.16 117.98 120.62 1b9k s PHE 752 Ca 0.59 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 57.21 1b9k s PHE 752 Cb -0.31 -4.19 0.09 0.00 -0.34 0.00 0.00 43.02 38.27 1b9k s PHE 752 CO 0.87 -2.50 0.08 0.99 -1.46 0.00 0.00 175.22 173.19 1b9k s THR 753 N 6.87 0.89 -0.09 0.12 2.01 0.12 -4.38 115.64 121.18 1b9k s THR 753 Ca 0.70 -1.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 1b9k s THR 753 Cb -0.17 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 1b9k s THR 753 CO 0.30 -0.58 0.49 -2.16 -0.69 0.00 0.00 174.62 171.99 1b9k s PRO 754 N 1.62 4.31 -0.06 4.92 0.04 -1.26 -1.67 135.00 142.90 1b9k s PRO 754 Ca 0.07 0.50 0.02 0.00 0.04 0.00 0.00 61.00 61.63 1b9k s PRO 754 Cb -0.17 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1b9k s PRO 754 CO -0.21 0.23 -0.11 0.99 0.04 0.00 0.00 177.00 177.93 1b9k s THR 755 N 0.39 1.03 -0.24 1.26 2.01 0.32 -4.96 115.64 115.45 1b9k s THR 755 Ca 0.27 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 1b9k s THR 755 Cb -0.16 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 1b9k s THR 755 CO 0.12 0.33 0.25 -0.76 -0.69 0.00 0.00 174.62 173.87 1b9k s LEU 756 N 0.61 4.10 -0.15 4.42 1.43 -1.26 0.11 118.68 127.94 1b9k s LEU 756 Ca -0.13 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1b9k s LEU 756 Cb -0.15 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 1b9k s LEU 756 CO 0.03 -0.03 -0.13 -0.63 0.23 0.00 0.00 176.35 175.83 1b9k s ILE 757 N 1.40 2.94 -0.05 -0.59 1.01 0.21 -4.95 121.20 121.16 1b9k s ILE 757 Ca 0.11 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1b9k s ILE 757 Cb -0.15 -2.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 1b9k s ILE 757 CO 0.07 0.51 -0.18 0.00 0.00 0.00 0.00 174.94 175.33 1b9k n ALA 759 N 3.23 -2.35 0.20 0.00 0.00 -1.26 -4.64 120.51 115.69 1b9k n ALA 759 Ca -0.19 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.18 1b9k n ALA 759 Cb 0.53 -1.62 0.35 0.00 0.00 0.00 0.00 19.45 18.71 1b9k n ALA 759 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b9k h ASP 760 N -0.13 0.00 -0.41 0.00 3.32 -1.99 -0.74 116.42 116.47 1b9k h ASP 760 Ca -0.44 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.49 1b9k h ASP 760 Cb 1.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1b9k h ASP 760 CO 0.42 0.31 -0.23 -0.78 -1.72 0.00 0.00 179.24 177.23 1b9k h ASP 761 N 0.00 0.92 -0.83 6.45 3.58 -2.02 -2.90 116.42 121.61 1b9k h ASP 761 Ca -0.00 -0.42 0.01 0.00 0.42 0.00 0.00 57.03 57.04 1b9k h ASP 761 Cb 0.89 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.64 1b9k h ASP 761 CO 0.04 1.13 0.55 0.25 -2.88 0.00 0.00 179.24 178.33 1b9k h LEU 762 N 0.70 0.95 -1.63 2.28 5.85 -1.60 -2.63 115.31 119.23 1b9k h LEU 762 Ca 0.09 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1b9k h LEU 762 Cb 0.80 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1b9k h LEU 762 CO 0.07 0.68 0.36 1.56 -0.34 0.00 0.00 178.44 180.77 1b9k h GLN 763 N 1.12 0.42 0.00 1.25 4.20 -0.98 -0.90 115.11 120.22 1b9k h GLN 763 Ca 0.31 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1b9k h GLN 763 Cb -0.11 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1b9k h GLN 763 CO -0.07 0.28 0.00 1.79 -0.67 0.00 0.00 178.83 180.16 1b9k h THR 764 N 0.44 0.00 0.00 -0.54 1.35 -1.36 -3.28 112.91 109.52 1b9k h THR 764 Ca 0.24 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 1b9k h THR 764 Cb 0.39 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1b9k h THR 764 CO -0.06 0.00 -1.61 0.59 -0.25 0.00 0.00 175.52 174.19 1b9k n ASN 765 N -2.40 2.05 -3.62 5.36 3.02 -0.44 -4.68 115.26 114.56 1b9k n ASN 765 Ca 0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.37 1b9k n ASN 765 Cb 0.23 1.53 -0.16 0.00 -0.61 0.00 0.00 39.78 40.78 1b9k n ASN 765 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1b9k s LEU 766 N -3.97 0.02 -0.31 3.41 2.96 -0.63 0.82 118.68 120.97 1b9k s LEU 766 Ca -0.05 0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 1b9k s LEU 766 Cb 0.08 0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.89 1b9k s LEU 766 CO 0.53 -0.28 0.31 0.21 -1.32 0.00 0.00 176.35 175.80 1b9k s ASN 767 N 2.25 6.14 -0.13 3.68 2.47 -0.32 -4.46 114.94 124.57 1b9k s ASN 767 Ca 0.04 -0.12 -0.02 0.00 0.42 0.00 0.00 52.86 53.18 1b9k s ASN 767 Cb -0.14 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.47 1b9k s ASN 767 CO -0.07 -0.23 -0.06 -0.76 -3.72 0.00 0.00 177.10 172.26 1b9k s LEU 768 N 1.92 3.14 -0.02 3.21 1.43 -1.26 -0.88 118.68 126.23 1b9k s LEU 768 Ca 0.10 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1b9k s LEU 768 Cb -0.16 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1b9k s LEU 768 CO 0.11 0.22 -0.16 -1.10 0.23 0.00 0.00 176.35 175.65 1b9k s GLN 769 N 0.05 1.32 0.00 1.70 -1.52 -0.43 -4.99 119.66 115.79 1b9k s GLN 769 Ca -0.01 -0.56 -0.11 0.00 -1.95 0.00 0.00 55.36 52.74 1b9k s GLN 769 Cb -0.14 -1.26 0.01 0.00 -0.22 0.00 0.00 33.01 31.41 1b9k s GLN 769 CO 0.03 0.32 0.21 -0.08 -0.25 0.00 0.00 175.29 175.52 1b9k s THR 770 N -0.29 0.08 0.16 -0.19 -1.32 -1.26 -0.65 115.64 112.16 1b9k s THR 770 Ca 0.04 -0.63 -0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1b9k s THR 770 Cb -0.07 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 1b9k s THR 770 CO -0.00 -0.35 0.34 -0.54 -2.21 0.00 0.00 174.62 171.86 1b9k s LYS 771 N -1.52 3.50 0.28 7.08 -0.14 -1.26 -5.05 119.74 122.63 1b9k s LYS 771 Ca -0.13 -0.38 -0.28 0.00 -1.36 0.00 0.00 55.97 53.82 1b9k s LYS 771 Cb -0.06 -2.90 -0.15 0.00 -1.68 0.00 0.00 37.83 33.05 1b9k s LYS 771 CO 0.02 0.46 0.90 -2.30 -0.76 0.00 0.00 175.35 173.67 1b9k n PRO 772 N -0.41 1.06 -3.38 -1.68 -0.02 -1.26 -4.83 135.00 124.47 1b9k n PRO 772 Ca -0.05 0.37 -0.26 0.00 -2.02 0.00 0.00 63.50 61.55 1b9k n PRO 772 Cb 0.53 -1.67 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 1b9k n PRO 772 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1b9k s VAL 773 N -1.06 5.09 0.10 -1.45 1.01 -1.26 -5.03 120.40 117.80 1b9k s VAL 773 Ca 0.60 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 1b9k s VAL 773 Cb -0.74 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 1b9k s VAL 773 CO 0.59 -0.46 1.55 -1.81 0.00 0.00 0.00 175.10 174.97 1b9k s ASP 774 N -3.71 6.66 0.00 3.32 1.11 -1.26 -4.90 116.67 117.89 1b9k s ASP 774 Ca 0.41 2.46 0.30 0.00 0.18 0.00 0.00 52.55 55.90 1b9k s ASP 774 Cb -0.10 -2.58 1.40 0.00 1.07 0.00 0.00 42.92 42.72 1b9k s ASP 774 CO 0.34 -0.81 1.97 -0.81 1.18 0.00 0.00 175.17 177.04 1b9k n PRO 775 N 4.73 0.62 -4.90 8.23 -0.04 -1.26 -4.70 135.00 137.68 1b9k n PRO 775 Ca 0.14 -0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 1b9k n PRO 775 Cb 0.40 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 1b9k n PRO 775 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1b9k s THR 776 N -2.47 2.40 -0.24 0.52 -4.23 -1.26 -0.78 115.64 109.58 1b9k s THR 776 Ca 0.30 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.95 1b9k s THR 776 Cb 0.20 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 72.13 1b9k s THR 776 CO 0.46 0.54 -0.10 -0.69 -0.54 0.00 0.00 174.62 174.29 1b9k s VAL 777 N 0.51 1.94 0.80 2.29 1.01 -0.87 -4.95 120.40 121.14 1b9k s VAL 777 Ca -0.13 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.30 1b9k s VAL 777 Cb -0.17 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.22 1b9k s VAL 777 CO 0.05 0.00 1.16 -1.81 0.00 0.00 0.00 175.10 174.50 1b9k s ASP 778 N 1.22 3.81 0.33 3.32 1.01 -1.26 -1.01 116.67 124.08 1b9k s ASP 778 Ca -0.07 2.18 -0.29 0.00 0.71 0.00 0.00 52.55 55.09 1b9k s ASP 778 Cb -0.19 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.07 1b9k s ASP 778 CO -0.06 -2.51 1.45 -0.83 0.21 0.00 0.00 175.17 173.42 1b9k s GLY 779 N -2.54 2.74 0.00 0.21 0.00 -1.18 -2.44 107.32 104.11 1b9k s GLY 779 Ca 0.69 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.86 1b9k s GLY 779 CO 0.52 2.21 0.00 0.61 0.00 0.00 0.00 173.10 176.44 1b9k n GLY 780 N 1.06 0.45 3.87 0.20 0.00 -0.07 -4.89 105.19 105.82 1b9k n GLY 780 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1b9k n GLY 780 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b9k s ALA 781 N -1.98 4.27 0.01 4.61 0.00 -1.02 -4.88 121.76 122.76 1b9k s ALA 781 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1b9k s ALA 781 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1b9k s ALA 781 CO 0.00 -0.36 -0.03 -1.14 0.00 0.00 0.00 175.76 174.23 1b9k s GLN 782 N -4.19 0.26 0.08 0.00 0.74 -1.26 -1.10 119.66 114.20 1b9k s GLN 782 Ca 0.34 -0.23 0.10 0.00 0.05 0.00 0.00 55.36 55.62 1b9k s GLN 782 Cb -0.01 -0.18 -0.03 0.00 1.10 0.00 0.00 33.01 33.88 1b9k s GLN 782 CO 0.21 0.04 -0.26 0.14 -0.55 0.00 0.00 175.29 174.88 1b9k s VAL 783 N -0.37 2.10 -0.02 1.34 -7.23 -0.60 -4.93 120.40 110.68 1b9k s VAL 783 Ca -0.02 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1b9k s VAL 783 Cb -0.03 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 1b9k s VAL 783 CO -0.00 0.21 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.38 1b9k s GLN 784 N -1.59 2.71 -0.06 4.82 0.74 -1.26 -0.78 119.66 124.25 1b9k s GLN 784 Ca 0.12 -0.62 0.05 0.00 0.05 0.00 0.00 55.36 54.96 1b9k s GLN 784 Cb -0.10 -2.61 -0.00 0.00 1.10 0.00 0.00 33.01 31.40 1b9k s GLN 784 CO 0.04 0.63 -0.21 -1.14 -0.55 0.00 0.00 175.29 174.06 1b9k s GLN 785 N -1.28 2.24 -0.20 1.67 0.74 0.07 -4.74 119.66 118.16 1b9k s GLN 785 Ca 0.16 -0.74 -0.02 0.00 0.05 0.00 0.00 55.36 54.81 1b9k s GLN 785 Cb -0.11 -1.87 -0.01 0.00 1.10 0.00 0.00 33.01 32.13 1b9k s GLN 785 CO 0.07 0.27 -0.08 0.08 -0.55 0.00 0.00 175.29 175.07 1b9k s VAL 786 N 0.06 3.12 -0.24 1.34 1.01 -1.26 -0.41 120.40 124.02 1b9k s VAL 786 Ca -0.07 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1b9k s VAL 786 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1b9k s VAL 786 CO 0.04 0.46 0.06 -0.63 0.00 0.00 0.00 175.10 175.03 1b9k s ILE 787 N 1.24 4.27 -0.20 2.22 -1.09 0.88 -4.24 121.20 124.28 1b9k s ILE 787 Ca 0.03 -0.19 -0.16 0.00 -2.23 0.00 0.00 60.65 58.10 1b9k s ILE 787 Cb -0.14 -2.98 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1b9k s ILE 787 CO -0.03 0.36 0.38 0.20 -1.23 0.00 0.00 174.94 174.62 1b9k s ASN 788 N 1.44 6.43 -0.05 3.58 0.01 0.17 -0.86 114.94 125.66 1b9k s ASN 788 Ca 0.05 0.50 0.02 0.00 -0.71 0.00 0.00 52.86 52.72 1b9k s ASN 788 Cb -0.15 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 1b9k s ASN 788 CO 0.03 -0.06 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.84 1b9k s ILE 789 N 1.26 3.57 -0.17 0.60 1.01 -0.09 -1.31 121.20 126.06 1b9k s ILE 789 Ca 0.19 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1b9k s ILE 789 Cb -0.15 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.91 1b9k s ILE 789 CO 0.08 0.56 -0.02 -0.70 0.00 0.00 0.00 174.94 174.86 1b9k s GLU 790 N -0.91 1.13 -0.27 2.79 2.12 -0.06 -1.53 118.70 121.98 1b9k s GLU 790 Ca 0.13 -0.46 -0.28 0.00 0.36 0.00 0.00 54.97 54.72 1b9k s GLU 790 Cb -0.11 -1.97 0.01 0.00 0.26 0.00 0.00 34.13 32.32 1b9k s GLU 790 CO 0.02 -0.49 0.99 0.00 -0.54 0.00 0.00 175.26 175.24 1b9k n ILE 792 N 5.52 1.77 -3.81 0.00 2.08 0.24 -0.74 119.36 124.42 1b9k n ILE 792 Ca 0.10 -0.65 -0.09 0.00 0.56 0.00 0.00 62.75 62.67 1b9k n ILE 792 Cb 0.47 -1.71 -0.03 0.00 -0.75 0.00 0.00 39.64 37.61 1b9k n ILE 792 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1b9k s SER 793 N -7.01 -0.24 0.64 4.38 0.15 -0.85 -2.41 113.70 108.36 1b9k s SER 793 Ca -0.23 -0.59 -0.16 0.00 0.70 0.00 0.00 55.95 55.67 1b9k s SER 793 Cb 0.07 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1b9k s SER 793 CO 0.76 -1.15 1.15 1.51 1.20 0.00 0.00 173.24 176.71 1b9k s ASP 794 N -2.91 5.03 0.05 5.45 -4.77 -1.26 -4.72 116.67 113.54 1b9k s ASP 794 Ca 0.12 2.17 -0.16 0.00 -3.30 0.00 0.00 52.55 51.38 1b9k s ASP 794 Cb -0.02 -2.57 0.03 0.00 -1.09 0.00 0.00 42.92 39.26 1b9k s ASP 794 CO 0.02 -1.69 0.37 0.72 0.70 0.00 0.00 175.17 175.29 1b9k s PHE 795 N -2.04 -0.20 -0.09 2.11 -0.71 -1.26 -4.96 117.98 110.84 1b9k s PHE 795 Ca 0.71 0.09 0.04 0.00 -1.04 0.00 0.00 56.93 56.73 1b9k s PHE 795 Cb -0.25 0.17 -0.08 0.00 -1.21 0.00 0.00 43.02 41.65 1b9k s PHE 795 CO 0.38 -0.56 -0.04 2.41 -1.34 0.00 0.00 175.22 176.08 1b9k n THR 796 N 0.47 0.58 -1.35 -4.49 -1.04 -1.26 -4.50 114.28 102.69 1b9k n THR 796 Ca -0.18 -0.28 -0.31 0.00 -2.04 0.00 0.00 64.05 61.23 1b9k n THR 796 Cb 0.60 -0.83 0.08 0.00 -1.82 0.00 0.00 70.33 68.36 1b9k n THR 796 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1b9k s GLU 797 N -2.20 2.33 0.14 -2.82 2.02 -1.26 -4.99 118.70 111.93 1b9k s GLU 797 Ca -0.10 1.23 0.11 0.00 0.02 0.00 0.00 54.97 56.23 1b9k s GLU 797 Cb 0.03 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 1b9k s GLU 797 CO 0.28 -1.59 -0.24 0.00 0.02 0.00 0.00 175.26 173.73 1b9k s ALA 798 N -2.78 2.48 0.76 5.21 0.00 -1.26 -4.97 121.76 121.20 1b9k s ALA 798 Ca 0.63 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1b9k s ALA 798 Cb -0.18 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.56 1b9k s ALA 798 CO 0.53 0.53 1.09 -1.25 0.00 0.00 0.00 175.76 176.66 1b9k s PRO 799 N -2.21 2.33 -0.11 0.00 0.04 -1.26 -4.86 135.00 128.93 1b9k s PRO 799 Ca 0.16 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.42 1b9k s PRO 799 Cb -0.10 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1b9k s PRO 799 CO 0.08 -1.59 -0.22 0.08 0.04 0.00 0.00 177.00 175.38 1b9k s VAL 800 N -2.85 2.18 -0.26 -0.36 1.01 -0.14 -1.52 120.40 118.45 1b9k s VAL 800 Ca 0.62 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1b9k s VAL 800 Cb -0.17 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1b9k s VAL 800 CO 0.55 0.55 0.36 -0.22 0.00 0.00 0.00 175.10 176.34 1b9k s LEU 801 N 0.43 4.05 -0.16 3.92 2.96 -0.27 0.65 118.68 130.25 1b9k s LEU 801 Ca -0.16 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1b9k s LEU 801 Cb -0.17 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 1b9k s LEU 801 CO 0.07 -0.16 -0.10 0.21 -1.32 0.00 0.00 176.35 175.05 1b9k s ASN 802 N 1.58 4.10 -0.18 3.68 3.84 0.12 -1.18 114.94 126.90 1b9k s ASN 802 Ca 0.15 -0.35 -0.02 0.00 0.21 0.00 0.00 52.86 52.84 1b9k s ASN 802 Cb -0.16 -1.65 -0.01 0.00 -0.55 0.00 0.00 41.25 38.88 1b9k s ASN 802 CO 0.10 0.10 -0.09 -0.63 -2.79 0.00 0.00 177.10 173.79 1b9k s ILE 803 N 0.77 3.17 -0.01 -5.21 1.09 0.14 -0.52 121.20 120.62 1b9k s ILE 803 Ca -0.04 -0.59 0.06 0.00 -1.10 0.00 0.00 60.65 58.98 1b9k s ILE 803 Cb -0.15 -2.39 -0.02 0.00 -1.06 0.00 0.00 42.46 38.84 1b9k s ILE 803 CO 0.01 0.47 -0.20 -1.10 -0.10 0.00 0.00 174.94 174.03 1b9k s GLN 804 N 1.01 1.58 0.10 2.79 -0.21 -0.67 -0.76 119.66 123.49 1b9k s GLN 804 Ca -0.01 -0.71 -0.26 0.00 0.02 0.00 0.00 55.36 54.40 1b9k s GLN 804 Cb -0.15 -1.53 0.08 0.00 1.00 0.00 0.00 33.01 32.41 1b9k s GLN 804 CO -0.01 0.42 0.88 -0.59 -2.12 0.00 0.00 175.29 173.87 1b9k s PHE 805 N -0.48 -0.26 -0.14 0.91 -0.71 -0.94 0.13 117.98 116.48 1b9k s PHE 805 Ca 0.08 0.03 -0.03 0.00 -1.04 0.00 0.00 56.93 55.96 1b9k s PHE 805 Cb -0.08 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 1b9k s PHE 805 CO -0.01 -0.74 -0.03 1.03 -1.34 0.00 0.00 175.22 174.14 1b9k s ARG 806 N -3.30 3.55 -0.07 1.99 0.52 -0.49 -0.85 118.95 120.28 1b9k s ARG 806 Ca 0.08 -0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1b9k s ARG 806 Cb -0.01 -2.90 0.04 0.00 0.52 0.00 0.00 34.95 32.60 1b9k s ARG 806 CO -0.04 0.33 0.14 -0.47 0.02 0.00 0.00 175.30 175.29 1b9k s TYR 807 N 0.12 -0.14 -1.45 -0.53 5.04 -0.31 -1.50 117.35 118.58 1b9k s TYR 807 Ca -0.00 0.51 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 1b9k s TYR 807 Cb -0.13 -0.23 0.03 0.00 0.35 0.00 0.00 41.96 41.98 1b9k s TYR 807 CO 0.03 -0.22 0.63 0.41 -1.34 0.00 0.00 175.55 175.05 1b9k n GLY 808 N 4.95 -0.51 2.54 8.97 0.00 -1.26 -0.64 105.19 119.24 1b9k n GLY 808 Ca -0.12 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1b9k n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b9k n GLY 809 N -1.44 1.06 3.57 -0.02 0.00 -1.26 -5.04 105.19 102.06 1b9k n GLY 809 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 1b9k n GLY 809 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b9k s THR 810 N -3.63 3.12 -0.19 2.61 -4.23 0.19 -5.10 115.64 108.41 1b9k s THR 810 Ca 0.00 -1.86 -0.25 0.00 -1.18 0.00 0.00 61.69 58.40 1b9k s THR 810 Cb 0.00 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1b9k s THR 810 CO 0.00 -0.23 0.81 0.12 -0.54 0.00 0.00 174.62 174.79 1b9k s PHE 811 N -2.00 3.38 -0.08 3.99 5.36 -1.26 -1.16 117.98 126.22 1b9k s PHE 811 Ca 0.27 1.19 0.03 0.00 -0.96 0.00 0.00 56.93 57.47 1b9k s PHE 811 Cb -0.07 -3.01 -0.02 0.00 -0.34 0.00 0.00 43.02 39.58 1b9k s PHE 811 CO 0.16 -0.28 -0.17 -0.65 -1.46 0.00 0.00 175.22 172.82 1b9k s GLN 812 N 2.33 2.82 -0.04 10.12 -1.52 -0.03 -5.00 119.66 128.33 1b9k s GLN 812 Ca 0.36 -0.75 -0.01 0.00 -1.95 0.00 0.00 55.36 53.02 1b9k s GLN 812 Cb -0.16 -2.41 0.03 0.00 -0.22 0.00 0.00 33.01 30.25 1b9k s GLN 812 CO 0.11 0.42 0.03 1.21 -0.25 0.00 0.00 175.29 176.81 1b9k s ASN 813 N -0.22 0.98 0.05 5.90 2.47 -1.26 -2.21 114.94 120.65 1b9k s ASN 813 Ca -0.00 0.01 0.07 0.00 0.42 0.00 0.00 52.86 53.36 1b9k s ASN 813 Cb -0.13 -0.23 -0.03 0.00 -1.45 0.00 0.00 41.25 39.41 1b9k s ASN 813 CO 0.03 -0.19 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.34 1b9k s VAL 814 N 1.75 1.53 -0.02 -5.21 1.01 0.06 -4.99 120.40 114.53 1b9k s VAL 814 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1b9k s VAL 814 Cb -0.13 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1b9k s VAL 814 CO -0.03 0.12 -0.06 -0.44 0.00 0.00 0.00 175.10 174.69 1b9k s SER 815 N -1.26 0.84 -0.03 3.32 0.01 -1.26 0.25 113.70 115.57 1b9k s SER 815 Ca 0.06 -0.12 -0.09 0.00 1.31 0.00 0.00 55.95 57.11 1b9k s SER 815 Cb -0.09 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1b9k s SER 815 CO 0.02 0.02 0.20 0.68 0.41 0.00 0.00 173.24 174.56 1b9k s VAL 816 N 0.35 0.05 0.04 3.43 -7.23 -0.33 -4.94 120.40 111.77 1b9k s VAL 816 Ca -0.04 -0.43 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 1b9k s VAL 816 Cb -0.08 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1b9k s VAL 816 CO -0.00 -0.23 1.07 -0.54 -0.31 0.00 0.00 175.10 175.08 1b9k s LYS 817 N -0.89 4.52 0.07 4.82 1.02 -1.26 -1.11 119.74 126.91 1b9k s LYS 817 Ca -0.10 1.57 -0.26 0.00 0.02 0.00 0.00 55.97 57.20 1b9k s LYS 817 Cb -0.05 -3.40 -0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1b9k s LYS 817 CO 0.02 -0.11 0.82 -0.51 -0.92 0.00 0.00 175.35 174.64 1b9k s LEU 818 N 0.91 4.47 -1.46 3.17 1.43 -0.58 -4.71 118.68 121.91 1b9k s LEU 818 Ca 0.54 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 55.06 1b9k s LEU 818 Cb -0.25 -3.32 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1b9k s LEU 818 CO 0.29 0.01 2.30 -0.81 0.23 0.00 0.00 176.35 178.37 1b9k n PRO 819 N 2.72 3.11 -3.75 1.29 -0.04 -1.26 -4.36 135.00 132.71 1b9k n PRO 819 Ca -0.01 -2.67 -0.37 0.00 -0.04 0.00 0.00 63.50 60.40 1b9k n PRO 819 Cb 0.50 -3.16 -0.12 0.00 -0.04 0.00 0.00 33.50 30.68 1b9k n PRO 819 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b9k s ILE 820 N 2.61 3.58 0.22 0.52 1.01 -1.26 -4.98 121.20 122.90 1b9k s ILE 820 Ca 0.50 -1.58 0.10 0.00 0.00 0.00 0.00 60.65 59.67 1b9k s ILE 820 Cb 0.14 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1b9k s ILE 820 CO -0.07 -0.43 -0.18 0.42 0.00 0.00 0.00 174.94 174.67 1b9k s THR 821 N 1.29 2.08 0.46 2.92 -4.23 -1.26 -4.76 115.64 112.13 1b9k s THR 821 Ca 0.02 -2.19 0.20 0.00 -1.18 0.00 0.00 61.69 58.55 1b9k s THR 821 Cb -0.22 -2.09 0.39 0.00 1.34 0.00 0.00 72.50 71.92 1b9k s THR 821 CO -0.01 -0.41 1.90 0.25 -0.54 0.00 0.00 174.62 175.82 1b9k h LEU 822 N 2.71 0.28 -1.28 4.79 5.85 -1.94 -1.59 115.31 124.12 1b9k h LEU 822 Ca -0.41 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1b9k h LEU 822 Cb 1.23 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1b9k h LEU 822 CO 0.57 0.13 0.00 -0.55 -0.34 0.00 0.00 178.44 178.25 1b9k h ASN 823 N 0.29 0.00 0.24 1.25 -1.07 -1.95 -1.57 115.58 112.77 1b9k h ASN 823 Ca 0.40 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.76 1b9k h ASN 823 Cb 1.12 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.37 1b9k h ASN 823 CO -0.11 0.00 -0.04 0.11 0.07 0.00 0.00 177.43 177.47 1b9k h LYS 824 N 0.00 0.00 -0.87 4.14 1.79 -1.55 -2.66 116.57 117.42 1b9k h LYS 824 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 1b9k h LYS 824 Cb 0.41 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.91 1b9k h LYS 824 CO 0.00 0.04 0.31 1.19 -1.08 0.00 0.00 179.45 179.90 1b9k n PHE 825 N -3.41 2.11 -2.65 -1.35 3.72 -0.59 -4.80 117.46 110.49 1b9k n PHE 825 Ca -0.02 -1.16 -0.40 0.00 -0.05 0.00 0.00 57.45 55.82 1b9k n PHE 825 Cb 0.15 -0.65 -0.05 0.00 -0.94 0.00 0.00 39.48 37.99 1b9k n PHE 825 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1b9k s PHE 826 N -2.51 3.78 -0.24 1.38 0.08 -1.01 -1.04 117.98 118.42 1b9k s PHE 826 Ca 0.44 1.81 -0.02 0.00 0.12 0.00 0.00 56.93 59.28 1b9k s PHE 826 Cb 0.36 -3.08 0.02 0.00 -0.57 0.00 0.00 43.02 39.74 1b9k s PHE 826 CO 0.10 0.03 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.06 1b9k s GLN 827 N -1.45 3.00 0.37 0.44 0.74 0.99 -4.88 119.66 118.87 1b9k s GLN 827 Ca 0.44 -0.87 -0.28 0.00 0.05 0.00 0.00 55.36 54.70 1b9k s GLN 827 Cb -0.27 -3.00 -0.11 0.00 1.10 0.00 0.00 33.01 30.73 1b9k s GLN 827 CO 0.34 -0.34 1.51 -2.14 -0.55 0.00 0.00 175.29 174.11 1b9k s PRO 828 N 1.38 4.09 -0.26 1.67 0.02 -1.25 -0.60 135.00 140.05 1b9k s PRO 828 Ca 0.02 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 1b9k s PRO 828 Cb -0.16 -2.96 0.08 0.00 0.02 0.00 0.00 34.50 31.48 1b9k s PRO 828 CO -0.04 -0.57 0.04 0.95 -0.33 0.00 0.00 177.00 177.05 1b9k s THR 829 N -1.02 1.02 0.33 0.99 -4.23 -0.68 -4.79 115.64 107.26 1b9k s THR 829 Ca 0.54 -1.19 -0.28 0.00 -1.18 0.00 0.00 61.69 59.58 1b9k s THR 829 Cb -0.47 -1.59 -0.10 0.00 1.34 0.00 0.00 72.50 71.68 1b9k s THR 829 CO 0.63 -0.41 1.20 -0.70 -0.54 0.00 0.00 174.62 174.80 1b9k s GLU 830 N 1.58 4.36 0.03 3.99 2.56 -1.26 -4.59 118.70 125.38 1b9k s GLU 830 Ca 0.03 1.98 -0.25 0.00 0.00 0.00 0.00 54.97 56.73 1b9k s GLU 830 Cb -0.18 -3.00 0.06 0.00 2.00 0.00 0.00 34.13 33.01 1b9k s GLU 830 CO -0.15 -0.10 0.58 0.00 -0.56 0.00 0.00 175.26 175.03 1b9k s MET 831 N -1.82 1.07 0.59 4.30 0.23 -1.26 -5.12 119.30 117.29 1b9k s MET 831 Ca 0.50 -0.11 -0.15 0.00 -1.03 0.00 0.00 55.69 54.90 1b9k s MET 831 Cb -0.35 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1b9k s MET 831 CO 0.45 -0.38 1.04 0.00 -2.03 0.00 0.00 175.02 174.10 1b9k s ALA 832 N -2.20 2.82 0.17 3.16 0.00 -1.26 -4.81 121.76 119.65 1b9k s ALA 832 Ca -0.06 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.00 1b9k s ALA 832 Cb -0.01 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 20.04 1b9k s ALA 832 CO 0.01 -0.73 1.64 1.03 0.00 0.00 0.00 175.76 177.71 1b9k h SER 833 N 0.36 -0.56 -0.84 0.00 0.87 -1.92 0.66 113.55 112.13 1b9k h SER 833 Ca -0.46 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1b9k h SER 833 Cb 1.21 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 63.45 1b9k h SER 833 CO 0.58 -0.19 0.55 -0.61 -0.53 0.00 0.00 176.83 176.63 1b9k h GLN 834 N -0.07 1.09 0.35 2.24 4.15 -1.95 -1.59 115.11 119.33 1b9k h GLN 834 Ca 0.21 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1b9k h GLN 834 Cb 0.39 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1b9k h GLN 834 CO -0.48 0.72 -0.17 0.22 -1.93 0.00 0.00 178.83 177.19 1b9k h ASP 835 N 1.12 -0.40 -0.27 -0.69 1.82 -1.71 -2.15 116.42 114.14 1b9k h ASP 835 Ca 0.31 -0.02 0.06 0.00 -0.39 0.00 0.00 57.03 57.00 1b9k h ASP 835 Cb -0.10 0.10 -0.07 0.00 0.68 0.00 0.00 39.33 39.94 1b9k h ASP 835 CO -0.08 -0.24 -0.19 0.15 -1.61 0.00 0.00 179.24 177.27 1b9k h PHE 836 N -0.52 -0.48 -0.31 0.28 3.57 -0.40 -2.37 116.94 116.71 1b9k h PHE 836 Ca -0.05 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1b9k h PHE 836 Cb 0.39 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1b9k h PHE 836 CO -0.04 -0.26 -0.16 0.74 -2.23 0.00 0.00 178.31 176.36 1b9k h PHE 837 N -0.17 0.60 -0.68 0.41 0.04 -1.32 -0.46 116.94 115.37 1b9k h PHE 837 Ca 0.15 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.82 1b9k h PHE 837 Cb 0.39 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 1b9k h PHE 837 CO -0.37 0.69 0.45 1.96 -0.60 0.00 0.00 178.31 180.44 1b9k h GLN 838 N 0.50 0.88 -0.23 1.51 7.50 -1.24 -1.18 115.11 122.86 1b9k h GLN 838 Ca 0.09 -0.05 -0.20 0.00 0.50 0.00 0.00 58.65 58.98 1b9k h GLN 838 Cb 0.57 -0.20 0.01 0.00 0.05 0.00 0.00 27.48 27.90 1b9k h GLN 838 CO 0.04 0.58 -0.65 0.00 -1.50 0.00 0.00 178.83 177.30 1b9k h ARG 839 N 0.91 0.84 -0.83 1.46 3.08 -1.06 -3.07 114.38 115.71 1b9k h ARG 839 Ca 0.26 -0.60 0.04 0.00 0.07 0.00 0.00 59.98 59.74 1b9k h ARG 839 Cb -0.08 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1b9k h ARG 839 CO -0.06 1.22 0.53 2.35 -1.07 0.00 0.00 179.97 182.94 1b9k h TRP 840 N 0.61 0.99 -0.05 3.04 2.91 -0.98 -2.80 115.95 119.67 1b9k h TRP 840 Ca -0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.03 1b9k h TRP 840 Cb 1.27 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1b9k h TRP 840 CO 0.08 0.56 0.00 1.63 -1.03 0.00 0.00 178.44 179.68 1b9k n LYS 841 N -4.58 1.14 0.00 2.65 5.02 -0.45 -3.33 118.16 118.61 1b9k n LYS 841 Ca 0.10 -0.21 0.13 0.00 -2.02 0.00 0.00 58.31 56.31 1b9k n LYS 841 Cb 0.10 -1.12 0.35 0.00 -0.02 0.00 0.00 35.03 34.34 1b9k n LYS 841 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1b9k n GLN 842 N -0.39 0.38 -1.97 1.97 6.02 -1.05 -4.96 117.38 117.38 1b9k n GLN 842 Ca 0.05 -0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.44 1b9k n GLN 842 Cb 0.07 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1b9k n GLN 842 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1b9k s LEU 843 N -2.76 4.21 0.00 1.08 0.20 -1.21 -4.91 118.68 115.29 1b9k s LEU 843 Ca 0.18 2.76 0.00 0.00 0.69 0.00 0.00 54.13 57.75 1b9k s LEU 843 Cb 0.18 -3.88 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1b9k s LEU 843 CO 0.60 -0.92 0.00 -1.54 -0.29 0.00 0.00 176.35 174.21 1b9k n SER 844 N 0.11 2.74 -4.67 3.68 3.41 -1.26 -5.00 113.62 112.63 1b9k n SER 844 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.24 1b9k n SER 844 Cb 0.43 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1b9k n SER 844 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1b9k s ASN 845 N -3.59 6.81 0.51 4.04 3.84 -1.26 -4.96 114.94 120.33 1b9k s ASN 845 Ca 0.00 0.99 0.24 0.00 0.21 0.00 0.00 52.86 54.30 1b9k s ASN 845 Cb 0.00 -2.39 1.36 0.00 -0.55 0.00 0.00 41.25 39.67 1b9k s ASN 845 CO 0.00 -0.30 2.07 1.55 -2.79 0.00 0.00 177.10 177.63 1b9k h PRO 846 N 7.35 0.00 0.00 0.43 0.14 -1.94 -1.38 132.00 136.60 1b9k h PRO 846 Ca -0.31 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.83 1b9k h PRO 846 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.28 1b9k h PRO 846 CO 0.80 0.13 0.00 1.04 0.14 0.00 0.00 178.00 180.10 1b9k n GLN 847 N -3.87 0.12 0.04 0.86 6.02 -1.26 -2.23 117.38 117.06 1b9k n GLN 847 Ca -0.02 0.14 0.13 0.00 -0.01 0.00 0.00 57.00 57.24 1b9k n GLN 847 Cb 0.22 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.40 1b9k n GLN 847 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1b9k n GLN 848 N -1.41 0.14 -3.92 -1.09 6.02 -0.52 -4.43 117.38 112.16 1b9k n GLN 848 Ca 0.07 0.09 -0.35 0.00 -0.01 0.00 0.00 57.00 56.79 1b9k n GLN 848 Cb 0.20 -1.63 -0.11 0.00 1.02 0.00 0.00 30.24 29.72 1b9k n GLN 848 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1b9k s GLU 849 N -3.06 3.83 -0.09 -1.09 2.12 -0.95 -2.36 118.70 117.11 1b9k s GLU 849 Ca 0.11 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.05 1b9k s GLU 849 Cb 0.16 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.30 1b9k s GLU 849 CO 0.61 0.07 -0.13 0.08 -0.54 0.00 0.00 175.26 175.35 1b9k s VAL 850 N 0.93 1.27 0.00 3.70 1.01 -0.67 -4.99 120.40 121.65 1b9k s VAL 850 Ca 0.04 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1b9k s VAL 850 Cb -0.14 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1b9k s VAL 850 CO 0.03 0.39 -0.21 -1.10 0.00 0.00 0.00 175.10 174.21 1b9k s GLN 851 N 0.88 2.13 -0.06 2.72 -0.21 -1.26 -1.02 119.66 122.85 1b9k s GLN 851 Ca -0.10 -0.92 -0.02 0.00 0.02 0.00 0.00 55.36 54.34 1b9k s GLN 851 Cb -0.15 -2.15 0.04 0.00 1.00 0.00 0.00 33.01 31.75 1b9k s GLN 851 CO 0.01 0.56 0.11 1.21 -2.12 0.00 0.00 175.29 175.06 1b9k s ASN 852 N -0.98 0.32 -0.20 5.90 2.47 -0.32 -4.99 114.94 117.14 1b9k s ASN 852 Ca 0.12 0.21 -0.01 0.00 0.42 0.00 0.00 52.86 53.60 1b9k s ASN 852 Cb -0.10 0.10 0.01 0.00 -1.45 0.00 0.00 41.25 39.80 1b9k s ASN 852 CO 0.02 -0.18 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.46 1b9k s ILE 853 N 1.56 2.72 0.07 -5.21 1.01 -1.26 -0.44 121.20 119.65 1b9k s ILE 853 Ca -0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1b9k s ILE 853 Cb -0.12 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1b9k s ILE 853 CO -0.05 0.47 0.09 0.72 0.00 0.00 0.00 174.94 176.18 1b9k s PHE 854 N 1.38 0.32 0.40 3.97 -0.12 -0.14 -4.97 117.98 118.82 1b9k s PHE 854 Ca 0.05 -0.80 -0.25 0.00 -0.05 0.00 0.00 56.93 55.88 1b9k s PHE 854 Cb -0.14 -0.21 -0.08 0.00 -0.63 0.00 0.00 43.02 41.96 1b9k s PHE 854 CO -0.08 -0.47 1.13 0.15 -0.05 0.00 0.00 175.22 175.89 1b9k s LYS 855 N -3.89 4.07 0.13 1.99 1.02 -1.26 -0.82 119.74 120.97 1b9k s LYS 855 Ca 0.06 1.72 -0.30 0.00 0.02 0.00 0.00 55.97 57.47 1b9k s LYS 855 Cb 0.06 -2.62 -0.07 0.00 -0.52 0.00 0.00 37.83 34.69 1b9k s LYS 855 CO -0.10 -0.27 1.23 0.00 -0.92 0.00 0.00 175.35 175.28 1b9k s ALA 856 N -1.50 3.44 -0.07 5.17 0.00 -0.22 -4.88 121.76 123.70 1b9k s ALA 856 Ca 0.58 0.94 0.14 0.00 0.00 0.00 0.00 51.96 53.61 1b9k s ALA 856 Cb -0.28 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.25 1b9k s ALA 856 CO 0.34 -0.43 0.92 0.87 0.00 0.00 0.00 175.76 177.46 1b9k h LYS 857 N 6.10 0.00 -6.12 0.00 1.57 -1.71 -3.48 116.57 112.94 1b9k h LYS 857 Ca -0.43 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.78 1b9k h LYS 857 Cb 1.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.36 1b9k h LYS 857 CO 0.79 0.47 -0.78 -1.01 -0.57 0.00 0.00 179.45 178.35 1b9k s HIS 858 N -2.81 2.05 0.70 -1.35 3.76 0.01 -5.09 115.29 112.56 1b9k s HIS 858 Ca -0.02 -0.42 -0.16 0.00 -0.15 0.00 0.00 55.06 54.31 1b9k s HIS 858 Cb 0.08 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.79 1b9k s HIS 858 CO 0.81 0.49 0.90 -2.30 -0.85 0.00 0.00 174.74 173.78 1b9k n PRO 859 N -0.09 0.55 -1.53 8.40 -0.02 -1.26 -4.85 135.00 136.20 1b9k n PRO 859 Ca -0.10 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1b9k n PRO 859 Cb 0.58 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1b9k n PRO 859 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1b9k n MET 860 N -1.51 3.85 -2.73 -0.52 2.81 -1.26 -4.89 117.12 112.86 1b9k n MET 860 Ca 0.13 -2.57 -0.42 0.00 -1.81 0.00 0.00 57.70 53.03 1b9k n MET 860 Cb 0.49 -2.80 -0.03 0.00 -0.71 0.00 0.00 33.22 30.16 1b9k n MET 860 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1b9k s ASP 861 N 1.79 6.29 0.26 7.83 1.01 -1.26 -4.92 116.67 127.67 1b9k s ASP 861 Ca 0.64 -0.42 -0.01 0.00 0.71 0.00 0.00 52.55 53.47 1b9k s ASP 861 Cb 0.18 -2.48 0.54 0.00 1.01 0.00 0.00 42.92 42.16 1b9k s ASP 861 CO -0.07 -1.46 1.76 0.74 0.21 0.00 0.00 175.17 176.35 1b9k h THR 862 N 6.04 0.72 -0.13 -1.27 2.02 -1.99 -1.86 112.91 116.43 1b9k h THR 862 Ca -0.27 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 1b9k h THR 862 Cb 1.06 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1b9k h THR 862 CO 1.17 0.11 -0.40 -0.33 0.37 0.00 0.00 175.52 176.44 1b9k h GLU 863 N 0.61 0.28 -0.32 6.66 4.39 -1.99 -1.03 114.58 123.19 1b9k h GLU 863 Ca 0.47 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.91 1b9k h GLU 863 Cb 0.67 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1b9k h GLU 863 CO -0.37 0.64 -0.29 0.82 -1.16 0.00 0.00 179.01 178.65 1b9k h ILE 864 N 0.24 1.29 0.20 3.13 2.04 -1.79 -1.90 117.51 120.73 1b9k h ILE 864 Ca 0.02 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.43 1b9k h ILE 864 Cb 0.81 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1b9k h ILE 864 CO 0.06 0.47 -0.23 0.74 0.00 0.00 0.00 178.15 179.20 1b9k h THR 865 N 0.52 0.51 -0.35 -0.27 2.02 -1.15 0.13 112.91 114.33 1b9k h THR 865 Ca 0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 1b9k h THR 865 Cb 0.87 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 1b9k h THR 865 CO 0.07 0.00 -0.17 0.11 0.37 0.00 0.00 175.52 175.90 1b9k h LYS 866 N -0.47 -0.11 -0.29 6.66 1.57 -1.17 -1.94 116.57 120.82 1b9k h LYS 866 Ca 0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1b9k h LYS 866 Cb 0.45 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1b9k h LYS 866 CO -0.07 -0.08 0.05 0.00 -0.57 0.00 0.00 179.45 178.78 1b9k h ALA 867 N 1.13 1.55 -0.38 3.86 0.00 -0.83 -1.68 119.26 122.91 1b9k h ALA 867 Ca 0.18 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1b9k h ALA 867 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1b9k h ALA 867 CO -0.42 0.34 0.00 0.87 0.00 0.00 0.00 179.25 180.04 1b9k h LYS 868 N 0.41 0.68 -0.92 0.00 1.57 -0.34 -1.84 116.57 116.13 1b9k h LYS 868 Ca 0.10 -0.22 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1b9k h LYS 868 Cb 0.20 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 1b9k h LYS 868 CO 0.00 0.77 0.60 0.82 -0.57 0.00 0.00 179.45 181.08 1b9k h ILE 869 N 0.50 1.09 -0.21 1.86 2.04 -1.16 0.13 117.51 121.76 1b9k h ILE 869 Ca 0.11 -0.37 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 1b9k h ILE 869 Cb 0.47 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1b9k h ILE 869 CO 0.02 0.20 -0.63 0.40 0.00 0.00 0.00 178.15 178.14 1b9k h ILE 870 N 1.08 1.29 -0.05 -0.67 2.04 -1.18 -2.22 117.51 117.81 1b9k h ILE 870 Ca 0.39 -1.84 -0.08 0.00 1.00 0.00 0.00 64.86 64.33 1b9k h ILE 870 Cb 0.14 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1b9k h ILE 870 CO -0.14 0.59 -0.32 1.23 0.00 0.00 0.00 178.15 179.50 1b9k h GLY 871 N 0.78 0.11 1.12 5.37 0.00 -0.83 -1.73 103.07 107.89 1b9k h GLY 871 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1b9k h GLY 871 CO 0.13 0.08 0.54 -2.75 0.00 0.00 0.00 176.54 174.54 1b9k h PHE 872 N 0.09 0.99 0.00 5.60 3.57 -0.13 -3.42 116.94 123.64 1b9k h PHE 872 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1b9k h PHE 872 Cb 0.62 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1b9k h PHE 872 CO 0.00 0.59 0.00 0.41 -2.23 0.00 0.00 178.31 177.09 1b9k n GLY 873 N -1.41 1.28 3.84 2.40 0.00 -0.65 -4.65 105.19 106.00 1b9k n GLY 873 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1b9k n GLY 873 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b9k s SER 874 N -0.54 2.91 0.46 1.61 1.04 -1.26 -3.81 113.70 114.10 1b9k s SER 874 Ca 0.00 0.49 -0.21 0.00 0.48 0.00 0.00 55.95 56.71 1b9k s SER 874 Cb 0.00 -0.69 -0.10 0.00 0.10 0.00 0.00 66.02 65.34 1b9k s SER 874 CO 0.00 -2.88 0.99 0.00 0.98 0.00 0.00 173.24 172.33 1b9k s ALA 875 N -3.61 2.96 -0.41 5.32 0.00 0.29 -4.62 121.76 121.70 1b9k s ALA 875 Ca 0.71 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 1b9k s ALA 875 Cb -0.07 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.90 1b9k s ALA 875 CO 0.53 -0.08 0.27 -1.17 0.00 0.00 0.00 175.76 175.31 1b9k s LEU 876 N -3.32 5.05 -0.09 0.00 2.96 -1.26 -2.55 118.68 119.47 1b9k s LEU 876 Ca 0.64 -1.17 -0.25 0.00 -0.22 0.00 0.00 54.13 53.13 1b9k s LEU 876 Cb -0.13 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1b9k s LEU 876 CO 0.16 -0.48 0.80 -0.76 -1.32 0.00 0.00 176.35 174.75 1b9k s LEU 877 N 1.56 4.27 -0.03 -0.68 1.43 -0.17 -5.02 118.68 120.05 1b9k s LEU 877 Ca 0.03 1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 54.29 1b9k s LEU 877 Cb -0.21 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1b9k s LEU 877 CO 0.06 -0.25 0.31 -1.61 0.23 0.00 0.00 176.35 175.09 1b9k s GLU 878 N 1.35 3.71 -1.50 1.70 0.41 -1.26 -4.36 118.70 118.75 1b9k s GLU 878 Ca 0.40 0.16 -0.07 0.00 -0.41 0.00 0.00 54.97 55.05 1b9k s GLU 878 Cb -0.18 -3.17 0.05 0.00 -1.78 0.00 0.00 34.13 29.06 1b9k s GLU 878 CO 0.18 0.70 0.58 -0.85 -0.49 0.00 0.00 175.26 175.38 1b9k n GLU 879 N 1.67 -3.52 -0.13 1.61 0.00 -1.26 -4.87 120.64 114.14 1b9k n GLU 879 Ca -0.15 0.42 -0.27 0.00 0.00 0.00 0.00 57.16 57.16 1b9k n GLU 879 Cb 0.53 -4.80 -0.09 0.00 0.00 0.00 0.00 31.44 27.08 1b9k n GLU 879 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1b9k n VAL 880 N -4.42 1.53 -2.52 3.84 0.31 -1.26 -4.86 118.33 110.93 1b9k n VAL 880 Ca -0.17 -0.29 -0.41 0.00 -0.01 0.00 0.00 64.34 63.46 1b9k n VAL 880 Cb 0.62 -1.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.56 1b9k n VAL 880 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b9k s ASP 881 N -7.27 7.24 0.48 4.52 -1.08 -1.26 -4.92 116.67 114.38 1b9k s ASP 881 Ca -0.37 2.00 0.18 0.00 -0.52 0.00 0.00 52.55 53.85 1b9k s ASP 881 Cb 0.13 -2.59 1.19 0.00 -1.46 0.00 0.00 42.92 40.19 1b9k s ASP 881 CO 0.49 -0.28 2.05 1.55 0.52 0.00 0.00 175.17 179.50 1b9k h PRO 882 N 5.80 0.00 -6.52 4.34 0.13 -1.99 -3.38 132.00 130.37 1b9k h PRO 882 Ca -0.43 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 1b9k h PRO 882 Cb 1.21 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1b9k h PRO 882 CO 0.75 0.13 0.90 1.21 -0.23 0.00 0.00 178.00 180.76 1b9k s ASN 883 N -6.78 6.75 0.48 1.44 3.84 -1.26 -4.92 114.94 114.49 1b9k s ASN 883 Ca -0.04 0.76 0.32 0.00 0.21 0.00 0.00 52.86 54.11 1b9k s ASN 883 Cb 0.15 -2.55 1.52 0.00 -0.55 0.00 0.00 41.25 39.83 1b9k s ASN 883 CO 0.66 -1.09 1.97 1.55 -2.79 0.00 0.00 177.10 177.40 1b9k h PRO 884 N 8.79 0.00 0.00 0.43 0.13 -2.02 -1.77 132.00 137.56 1b9k h PRO 884 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1b9k h PRO 884 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1b9k h PRO 884 CO 1.08 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.85 1b9k n ALA 885 N -1.97 2.31 -2.49 -0.56 0.00 -1.26 -4.89 120.51 111.66 1b9k n ALA 885 Ca -0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1b9k n ALA 885 Cb 0.19 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.17 1b9k n ALA 885 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1b9k s ASN 886 N -3.01 6.20 -0.07 0.00 0.01 -0.67 -4.41 114.94 112.99 1b9k s ASN 886 Ca 0.14 0.56 0.05 0.00 -0.71 0.00 0.00 52.86 52.90 1b9k s ASN 886 Cb 0.19 -2.01 -0.00 0.00 0.41 0.00 0.00 41.25 39.84 1b9k s ASN 886 CO 0.52 -0.45 -0.23 -0.36 -1.51 0.00 0.00 177.10 175.08 1b9k s PHE 887 N -2.48 2.29 -0.05 2.20 0.40 -0.26 -4.93 117.98 115.15 1b9k s PHE 887 Ca 0.44 -0.78 0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1b9k s PHE 887 Cb -0.10 -1.53 -0.00 0.00 0.51 0.00 0.00 43.02 41.90 1b9k s PHE 887 CO 0.39 -0.28 -0.17 0.08 0.70 0.00 0.00 175.22 175.94 1b9k s VAL 888 N 0.08 1.44 0.06 -0.44 1.01 -1.26 -0.20 120.40 121.10 1b9k s VAL 888 Ca -0.09 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1b9k s VAL 888 Cb -0.15 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1b9k s VAL 888 CO 0.05 0.42 -0.06 -0.83 0.00 0.00 0.00 175.10 174.67 1b9k s GLY 889 N 0.07 0.59 -0.14 4.51 0.00 -0.43 -1.00 107.32 110.92 1b9k s GLY 889 Ca -0.05 -1.05 -0.13 0.00 0.00 0.00 0.00 44.72 43.50 1b9k s GLY 889 CO 0.02 -1.13 0.37 0.00 0.00 0.00 0.00 173.10 172.36 1b9k s ALA 890 N -2.61 -0.92 0.22 3.20 0.00 -1.06 -1.28 121.76 119.32 1b9k s ALA 890 Ca 0.01 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1b9k s ALA 890 Cb -0.02 -0.61 0.07 0.00 0.00 0.00 0.00 23.12 22.56 1b9k s ALA 890 CO -0.03 -0.18 0.89 0.41 0.00 0.00 0.00 175.76 176.85 1b9k n GLY 891 N 2.89 0.77 3.14 0.00 0.00 -0.84 -0.54 105.19 110.60 1b9k n GLY 891 Ca -0.13 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 1b9k n GLY 891 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b9k s ILE 892 N -2.12 1.60 -0.21 -0.61 1.01 0.23 -0.42 121.20 120.68 1b9k s ILE 892 Ca 0.19 -0.78 -0.18 0.00 0.00 0.00 0.00 60.65 59.89 1b9k s ILE 892 Cb -0.03 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1b9k s ILE 892 CO 0.07 0.46 0.50 -0.63 0.00 0.00 0.00 174.94 175.34 1b9k s ILE 893 N 0.29 5.11 -0.17 2.92 -1.09 0.50 -0.01 121.20 128.74 1b9k s ILE 893 Ca -0.11 0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 59.14 1b9k s ILE 893 Cb -0.15 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1b9k s ILE 893 CO 0.05 0.17 0.08 -1.00 -1.23 0.00 0.00 174.94 173.02 1b9k s HIS 894 N 1.69 3.32 0.09 3.97 3.76 -0.20 -0.89 115.29 127.03 1b9k s HIS 894 Ca 0.23 0.19 -0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1b9k s HIS 894 Cb -0.15 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1b9k s HIS 894 CO 0.09 0.27 -0.02 0.95 -0.85 0.00 0.00 174.74 175.19 1b9k s THR 895 N 0.14 0.37 0.23 1.30 -4.23 -1.06 -4.31 115.64 108.06 1b9k s THR 895 Ca 0.06 -1.88 -0.07 0.00 -1.18 0.00 0.00 61.69 58.63 1b9k s THR 895 Cb -0.12 -1.73 0.18 0.00 1.34 0.00 0.00 72.50 72.17 1b9k s THR 895 CO 0.00 -0.81 1.80 0.50 -0.54 0.00 0.00 174.62 175.58 1b9k h LYS 896 N 3.00 0.69 0.00 3.99 3.64 -0.85 -3.17 116.57 123.87 1b9k h LYS 896 Ca -0.35 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1b9k h LYS 896 Cb 1.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1b9k h LYS 896 CO 0.64 0.46 -1.34 0.25 -2.27 0.00 0.00 179.45 177.18 1b9k n THR 897 N -4.79 0.78 -3.59 1.00 -2.24 -1.01 -4.99 114.28 99.44 1b9k n THR 897 Ca 0.11 -0.61 -0.15 0.00 -2.27 0.00 0.00 64.05 61.13 1b9k n THR 897 Cb 0.24 -0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 1b9k n THR 897 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1b9k s THR 898 N -3.19 0.00 -0.24 4.28 2.01 -1.20 -5.12 115.64 112.19 1b9k s THR 898 Ca -0.03 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 61.93 1b9k s THR 898 Cb 0.10 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1b9k s THR 898 CO 0.82 0.00 -0.01 -1.10 -0.69 0.00 0.00 174.62 173.64 1b9k s GLN 899 N -0.16 3.36 -0.27 4.92 -1.52 -1.26 -2.57 119.66 122.15 1b9k s GLN 899 Ca -0.04 -0.65 -0.08 0.00 -1.95 0.00 0.00 55.36 52.64 1b9k s GLN 899 Cb -0.03 -3.11 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 1b9k s GLN 899 CO 0.04 -0.24 0.11 0.42 -0.25 0.00 0.00 175.29 175.37 1b9k s ILE 900 N 1.50 4.51 0.10 1.08 1.09 -0.06 -4.94 121.20 124.47 1b9k s ILE 900 Ca 0.05 -0.19 -0.30 0.00 -1.10 0.00 0.00 60.65 59.10 1b9k s ILE 900 Cb -0.15 -3.17 -0.06 0.00 -1.06 0.00 0.00 42.46 38.02 1b9k s ILE 900 CO -0.01 0.26 1.18 -0.83 -0.10 0.00 0.00 174.94 175.43 1b9k s GLY 901 N 1.63 2.53 -0.02 6.18 0.00 -1.26 -0.37 107.32 116.01 1b9k s GLY 901 Ca 0.06 0.85 0.03 0.00 0.00 0.00 0.00 44.72 45.66 1b9k s GLY 901 CO 0.05 1.94 -0.11 0.00 0.00 0.00 0.00 173.10 174.98 1b9k s LEU 903 N 0.05 2.20 0.04 0.00 1.02 0.19 -2.00 118.68 120.18 1b9k s LEU 903 Ca -0.01 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.59 1b9k s LEU 903 Cb -0.08 -0.99 -0.03 0.00 0.02 0.00 0.00 46.19 45.12 1b9k s LEU 903 CO 0.00 0.15 -0.07 -1.48 0.02 0.00 0.00 176.35 174.97 1b9k s LEU 904 N -1.34 2.28 -0.04 1.79 0.05 -0.40 -1.37 118.68 119.63 1b9k s LEU 904 Ca 0.08 -0.59 0.00 0.00 0.05 0.00 0.00 54.13 53.67 1b9k s LEU 904 Cb -0.09 -0.12 0.03 0.00 -2.05 0.00 0.00 46.19 43.96 1b9k s LEU 904 CO 0.02 -0.24 -0.01 -0.60 -0.55 0.00 0.00 176.35 174.97 1b9k s ARG 905 N -1.77 0.56 -0.18 1.48 3.52 -0.40 -1.31 118.95 120.84 1b9k s ARG 905 Ca -0.09 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.55 1b9k s ARG 905 Cb -0.09 -0.73 0.03 0.00 -1.56 0.00 0.00 34.95 32.60 1b9k s ARG 905 CO -0.00 -0.16 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.00 1b9k s LEU 906 N 1.24 2.13 -0.22 -0.88 2.96 0.73 -1.04 118.68 123.59 1b9k s LEU 906 Ca -0.06 -0.70 -0.00 0.00 -0.22 0.00 0.00 54.13 53.14 1b9k s LEU 906 Cb -0.13 -1.35 0.03 0.00 0.50 0.00 0.00 46.19 45.23 1b9k s LEU 906 CO -0.02 -0.06 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.23 1b9k s GLU 907 N 1.35 2.84 0.34 1.98 2.02 -0.38 -1.10 118.70 125.76 1b9k s GLU 907 Ca 0.03 -0.95 -0.19 0.00 0.02 0.00 0.00 54.97 53.88 1b9k s GLU 907 Cb -0.14 -2.82 -0.10 0.00 0.10 0.00 0.00 34.13 31.17 1b9k s GLU 907 CO -0.11 -0.34 0.82 -1.25 0.02 0.00 0.00 175.26 174.40 1b9k s PRO 908 N 1.29 4.18 -0.38 0.39 0.04 -1.26 -1.36 135.00 137.90 1b9k s PRO 908 Ca 0.01 0.91 0.02 0.00 0.04 0.00 0.00 61.00 61.98 1b9k s PRO 908 Cb -0.16 -2.48 0.11 0.00 0.04 0.00 0.00 34.50 32.01 1b9k s PRO 908 CO -0.08 0.16 0.12 1.21 0.04 0.00 0.00 177.00 178.45 1b9k s ASN 909 N -2.06 4.88 0.25 6.66 3.84 0.11 -4.96 114.94 123.66 1b9k s ASN 909 Ca 0.54 -2.21 -0.05 0.00 0.21 0.00 0.00 52.86 51.34 1b9k s ASN 909 Cb -0.12 -1.69 0.28 0.00 -0.55 0.00 0.00 41.25 39.17 1b9k s ASN 909 CO 0.17 -0.41 1.92 0.25 -2.79 0.00 0.00 177.10 176.24 1b9k h LEU 910 N 7.63 1.11 -0.26 3.21 5.85 -1.96 -1.25 115.31 129.64 1b9k h LEU 910 Ca -0.07 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1b9k h LEU 910 Cb 1.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1b9k h LEU 910 CO 0.59 0.83 0.03 -0.61 -0.34 0.00 0.00 178.44 178.94 1b9k h GLN 911 N 1.29 0.43 0.00 1.25 4.15 -1.96 -3.17 115.11 117.11 1b9k h GLN 911 Ca 0.34 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1b9k h GLN 911 Cb -0.10 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1b9k h GLN 911 CO -0.07 0.57 -0.31 0.00 -1.93 0.00 0.00 178.83 177.09 1b9k n ALA 912 N -2.32 2.99 -3.66 3.38 0.00 -1.17 -4.94 120.51 114.78 1b9k n ALA 912 Ca -0.03 -0.23 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1b9k n ALA 912 Cb 0.21 -1.27 0.04 0.00 0.00 0.00 0.00 19.45 18.43 1b9k n ALA 912 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b9k n GLN 913 N -1.59 -4.68 -4.24 0.00 1.13 -0.49 -4.88 117.38 102.64 1b9k n GLN 913 Ca 0.06 0.64 -0.13 0.00 -1.94 0.00 0.00 57.00 55.62 1b9k n GLN 913 Cb 0.35 -5.19 -0.10 0.00 0.11 0.00 0.00 30.24 25.41 1b9k n GLN 913 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1b9k s MET 914 N -5.86 1.08 0.06 -1.09 -1.94 -1.12 -1.06 119.30 109.37 1b9k s MET 914 Ca 0.05 -1.50 0.04 0.00 -1.71 0.00 0.00 55.69 52.56 1b9k s MET 914 Cb -0.01 -0.32 -0.03 0.00 2.01 0.00 0.00 34.83 36.48 1b9k s MET 914 CO 0.81 -0.09 -0.11 0.71 -0.01 0.00 0.00 175.02 176.33 1b9k s TYR 915 N -3.60 0.99 -0.20 -0.03 2.02 -0.00 0.06 117.35 116.59 1b9k s TYR 915 Ca 0.22 -0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1b9k s TYR 915 Cb 0.06 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 41.06 1b9k s TYR 915 CO 0.03 -0.01 -0.12 0.50 -1.57 0.00 0.00 175.55 174.38 1b9k s ARG 916 N -1.84 3.20 -0.11 -0.62 3.52 -0.46 -0.97 118.95 121.67 1b9k s ARG 916 Ca -0.04 -0.72 -0.02 0.00 -0.13 0.00 0.00 55.73 54.81 1b9k s ARG 916 Cb -0.09 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.49 1b9k s ARG 916 CO 0.01 -0.17 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.14 1b9k s LEU 917 N 1.32 3.46 -0.08 -0.88 2.96 0.41 -1.25 118.68 124.62 1b9k s LEU 917 Ca 0.04 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1b9k s LEU 917 Cb -0.14 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.76 1b9k s LEU 917 CO -0.07 0.30 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.25 1b9k s THR 918 N -0.44 1.17 -0.14 3.68 2.01 -0.21 -1.17 115.64 120.54 1b9k s THR 918 Ca 0.08 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1b9k s THR 918 Cb -0.12 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1b9k s THR 918 CO 0.02 0.37 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.50 1b9k s LEU 919 N 0.81 3.13 -0.20 4.42 2.01 -0.19 -1.28 118.68 127.40 1b9k s LEU 919 Ca -0.12 -0.15 0.00 0.00 0.01 0.00 0.00 54.13 53.87 1b9k s LEU 919 Cb -0.15 -1.73 0.05 0.00 0.01 0.00 0.00 46.19 44.36 1b9k s LEU 919 CO 0.02 0.20 -0.08 -0.13 1.01 0.00 0.00 176.35 177.37 1b9k s ARG 920 N 0.19 1.74 0.37 1.70 0.52 -0.47 -1.66 118.95 121.34 1b9k s ARG 920 Ca -0.03 -0.76 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 1b9k s ARG 920 Cb -0.14 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 1b9k s ARG 920 CO 0.03 -0.46 0.14 0.95 0.02 0.00 0.00 175.30 175.97 1b9k s THR 921 N 1.48 0.57 -2.11 0.02 -4.23 -0.99 -0.64 115.64 109.74 1b9k s THR 921 Ca -0.02 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.66 1b9k s THR 921 Cb -0.16 -2.44 0.42 0.00 1.34 0.00 0.00 72.50 71.66 1b9k s THR 921 CO -0.08 0.00 1.52 -1.54 -0.54 0.00 0.00 174.62 173.99 1b9k n SER 922 N -1.18 0.89 -3.73 3.99 3.41 -0.71 -4.74 113.62 111.54 1b9k n SER 922 Ca -0.03 -1.66 -0.14 0.00 -0.26 0.00 0.00 58.87 56.78 1b9k n SER 922 Cb 0.65 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 1b9k n SER 922 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1b9k s LYS 923 N -1.86 0.12 0.18 4.33 2.20 -1.26 -5.00 119.74 118.45 1b9k s LYS 923 Ca 0.26 0.44 -0.14 0.00 -0.36 0.00 0.00 55.97 56.17 1b9k s LYS 923 Cb 0.13 -0.17 0.18 0.00 -1.51 0.00 0.00 37.83 36.46 1b9k s LYS 923 CO 0.21 -0.18 1.70 0.38 -0.36 0.00 0.00 175.35 177.10 1b9k h ASP 924 N 7.35 -0.09 0.36 1.43 3.04 -1.85 -0.79 116.42 125.86 1b9k h ASP 924 Ca -0.39 0.10 -0.03 0.00 -3.24 0.00 0.00 57.03 53.46 1b9k h ASP 924 Cb 1.14 0.16 -0.00 0.00 -1.04 0.00 0.00 39.33 39.58 1b9k h ASP 924 CO 0.38 -0.02 -0.16 0.71 -2.04 0.00 0.00 179.24 178.12 1b9k h THR 925 N 0.17 0.73 0.06 1.15 1.35 -1.97 -1.02 112.91 113.38 1b9k h THR 925 Ca 0.24 -0.64 -0.27 0.00 -0.55 0.00 0.00 66.41 65.19 1b9k h THR 925 Cb 0.34 1.39 0.02 0.00 -1.73 0.00 0.00 68.15 68.17 1b9k h THR 925 CO -0.35 0.15 -1.12 0.58 -0.25 0.00 0.00 175.52 174.53 1b9k h VAL 926 N 0.00 1.32 -0.68 6.82 2.07 -1.58 -1.23 116.25 122.97 1b9k h VAL 926 Ca -0.00 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1b9k h VAL 926 Cb 0.38 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1b9k h VAL 926 CO 0.02 0.74 0.36 0.28 0.02 0.00 0.00 177.57 178.99 1b9k h SER 927 N 0.29 0.86 -0.15 0.57 0.02 -0.97 -1.17 113.55 113.01 1b9k h SER 927 Ca -0.14 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1b9k h SER 927 Cb 1.78 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.10 1b9k h SER 927 CO 0.21 0.72 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.96 1b9k h GLN 928 N 0.94 0.30 -0.49 3.45 5.75 -1.17 -1.79 115.11 122.09 1b9k h GLN 928 Ca 0.24 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.53 1b9k h GLN 928 Cb 0.06 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1b9k h GLN 928 CO -0.04 0.60 -0.04 -0.09 -2.65 0.00 0.00 178.83 176.61 1b9k h ARG 929 N -0.02 0.90 -0.52 1.69 9.65 -0.95 -1.82 114.38 123.31 1b9k h ARG 929 Ca 0.04 -0.31 -0.12 0.00 -1.10 0.00 0.00 59.98 58.49 1b9k h ARG 929 Cb 0.50 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1b9k h ARG 929 CO 0.02 0.95 -0.15 -0.07 2.80 0.00 0.00 179.97 183.51 1b9k h LEU 930 N 0.75 1.02 -0.66 3.80 3.38 -1.27 -1.28 115.31 121.05 1b9k h LEU 930 Ca 0.13 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1b9k h LEU 930 Cb 0.57 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1b9k h LEU 930 CO 0.03 1.15 0.30 0.00 0.09 0.00 0.00 178.44 180.02 1b9k h GLU 932 N 0.92 0.76 0.19 0.00 4.11 -0.94 -1.63 114.58 117.98 1b9k h GLU 932 Ca 0.22 -0.37 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 1b9k h GLU 932 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1b9k h GLU 932 CO -0.03 0.99 -0.09 -0.07 0.07 0.00 0.00 179.01 179.89 1b9k h LEU 933 N 0.63 -0.21 -1.01 3.06 3.38 -1.17 -3.21 115.31 116.78 1b9k h LEU 933 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1b9k h LEU 933 Cb 0.90 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1b9k h LEU 933 CO 0.08 -0.01 -0.38 0.25 0.09 0.00 0.00 178.44 178.47 1b9k h LEU 934 N -0.41 0.00 -1.58 1.67 5.85 -1.35 -2.88 115.31 116.61 1b9k h LEU 934 Ca -0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1b9k h LEU 934 Cb 0.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1b9k h LEU 934 CO 0.04 0.38 -0.18 0.28 -0.34 0.00 0.00 178.44 178.62 1b9k h SER 935 N 0.00 0.04 0.53 1.25 0.02 -1.29 -2.16 113.55 111.93 1b9k h SER 935 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1b9k h SER 935 Cb 0.86 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1b9k h SER 935 CO 0.05 0.22 0.00 -0.62 -1.14 0.00 0.00 176.83 175.34 1b9k n GLU 936 N -4.31 0.15 0.06 3.45 -0.58 -1.09 -3.63 120.64 114.70 1b9k n GLU 936 Ca -0.02 0.12 0.12 0.00 -0.42 0.00 0.00 57.16 56.96 1b9k n GLU 936 Cb 0.25 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.86 1b9k n GLU 936 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1b9k n GLN 937 N -1.39 0.25 0.00 3.49 1.13 -0.81 -5.05 117.38 115.00 1b9k n GLN 937 Ca 0.07 0.10 0.03 0.00 -1.94 0.00 0.00 57.00 55.26 1b9k n GLN 937 Cb 0.20 -1.68 0.02 0.00 0.11 0.00 0.00 30.24 28.89 1b9k n GLN 937 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81