#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j6m s ALA 698 N 0.00 3.08 -0.03 -1.84 0.00 -1.26 -4.99 121.76 116.73 2j6m s ALA 698 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 2j6m s ALA 698 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 2j6m s ALA 698 CO 0.00 -0.60 1.02 -1.25 0.00 0.00 0.00 175.76 174.93 2j6m s PRO 699 N -2.46 4.49 -0.89 0.00 0.04 -1.26 -4.98 135.00 129.95 2j6m s PRO 699 Ca 0.60 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 2j6m s PRO 699 Cb -0.30 -3.48 -0.00 0.00 0.04 0.00 0.00 34.50 30.76 2j6m s PRO 699 CO 0.38 -0.17 1.70 1.21 0.04 0.00 0.00 177.00 180.15 2j6m s ASN 700 N 1.07 5.72 -0.15 6.66 3.04 -1.26 -4.86 114.94 125.16 2j6m s ASN 700 Ca 0.52 -0.79 0.04 0.00 0.04 0.00 0.00 52.86 52.67 2j6m s ASN 700 Cb -0.21 -2.56 0.34 0.00 -1.54 0.00 0.00 41.25 37.28 2j6m s ASN 700 CO 0.25 -2.19 1.23 0.00 -3.04 0.00 0.00 177.10 173.35 2j6m n GLN 701 N 8.96 2.21 -1.82 0.43 6.02 -1.26 -4.95 117.38 126.97 2j6m n GLN 701 Ca 0.32 -1.39 -0.37 0.00 -0.01 0.00 0.00 57.00 55.54 2j6m n GLN 701 Cb 0.49 -1.70 0.05 0.00 1.02 0.00 0.00 30.24 30.10 2j6m n GLN 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2j6m s ALA 702 N -1.65 2.61 -0.39 -1.58 0.00 -1.26 -4.96 121.76 114.53 2j6m s ALA 702 Ca 0.25 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.33 2j6m s ALA 702 Cb 0.20 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.82 2j6m s ALA 702 CO 0.06 -1.40 0.23 -0.51 0.00 0.00 0.00 175.76 174.14 2j6m s LEU 703 N -3.91 4.87 -0.14 0.00 1.43 -1.26 -5.05 118.68 114.62 2j6m s LEU 703 Ca 0.76 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 2j6m s LEU 703 Cb -0.37 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 2j6m s LEU 703 CO 0.42 -0.43 1.10 -0.22 0.23 0.00 0.00 176.35 177.44 2j6m s LEU 704 N 1.54 4.20 -0.18 1.79 2.96 -1.26 -5.01 118.68 122.72 2j6m s LEU 704 Ca 0.02 1.57 -0.13 0.00 -0.22 0.00 0.00 54.13 55.38 2j6m s LEU 704 Cb -0.20 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 2j6m s LEU 704 CO 0.06 -0.58 0.27 -0.60 -1.32 0.00 0.00 176.35 174.17 2j6m s ARG 705 N 2.60 4.21 -0.03 1.98 3.52 -1.26 -4.99 118.95 124.98 2j6m s ARG 705 Ca 0.50 0.01 -0.17 0.00 -0.13 0.00 0.00 55.73 55.94 2j6m s ARG 705 Cb -0.19 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.69 2j6m s ARG 705 CO 0.15 0.18 0.46 0.42 -0.81 0.00 0.00 175.30 175.70 2j6m s ILE 706 N 0.66 5.04 -0.08 4.11 -1.09 -1.26 -0.34 121.20 128.24 2j6m s ILE 706 Ca 0.14 0.94 0.03 0.00 -2.23 0.00 0.00 60.65 59.53 2j6m s ILE 706 Cb -0.13 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 2j6m s ILE 706 CO 0.04 0.48 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.28 2j6m s LEU 707 N -0.42 1.87 0.60 2.97 1.43 0.24 -4.90 118.68 120.46 2j6m s LEU 707 Ca 0.25 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 2j6m s LEU 707 Cb -0.16 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2j6m s LEU 707 CO 0.13 0.09 1.21 -0.54 0.23 0.00 0.00 176.35 177.47 2j6m s LYS 708 N 0.52 2.95 0.45 1.70 1.02 -1.26 -4.30 119.74 120.82 2j6m s LYS 708 Ca -0.16 1.83 0.25 0.00 0.02 0.00 0.00 55.97 57.90 2j6m s LYS 708 Cb -0.17 -1.93 0.58 0.00 -0.52 0.00 0.00 37.83 35.80 2j6m s LYS 708 CO 0.06 -1.22 1.69 1.49 -0.92 0.00 0.00 175.35 176.45 2j6m h GLU 709 N 0.86 0.00 0.00 1.68 4.81 -1.97 -2.78 114.58 117.17 2j6m h GLU 709 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2j6m h GLU 709 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2j6m h GLU 709 CO 0.55 0.07 0.00 1.79 -0.73 0.00 0.00 179.01 180.69 2j6m h THR 710 N 0.00 0.00 0.00 0.32 1.35 -2.02 -3.19 112.91 109.37 2j6m h THR 710 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2j6m h THR 710 Cb 0.91 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2j6m h THR 710 CO 0.01 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.49 2j6m n GLU 711 N -2.45 0.00 -3.73 4.72 2.13 -1.05 -4.78 120.64 115.49 2j6m n GLU 711 Ca 0.03 0.22 -0.12 0.00 0.66 0.00 0.00 57.16 57.94 2j6m n GLU 711 Cb 0.31 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.41 2j6m n GLU 711 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2j6m s PHE 712 N -2.99 -0.48 -0.42 4.31 -0.12 -1.21 -1.02 117.98 116.06 2j6m s PHE 712 Ca 0.08 1.11 -0.14 0.00 -0.05 0.00 0.00 56.93 57.93 2j6m s PHE 712 Cb 0.11 0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.71 2j6m s PHE 712 CO 0.30 -0.25 0.30 0.15 -0.05 0.00 0.00 175.22 175.67 2j6m s LYS 713 N 0.58 2.93 0.51 1.99 3.01 -0.20 -4.92 119.74 123.64 2j6m s LYS 713 Ca -0.03 -1.12 -0.22 0.00 -1.01 0.00 0.00 55.97 53.59 2j6m s LYS 713 Cb -0.05 -3.96 -0.06 0.00 -1.01 0.00 0.00 37.83 32.76 2j6m s LYS 713 CO -0.03 -0.81 1.25 0.15 0.51 0.00 0.00 175.35 176.42 2j6m s LYS 714 N 1.64 3.39 0.00 1.68 1.02 -1.26 -1.91 119.74 124.29 2j6m s LYS 714 Ca 0.04 1.98 0.00 0.00 0.02 0.00 0.00 55.97 58.01 2j6m s LYS 714 Cb -0.20 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2j6m s LYS 714 CO 0.08 -0.91 0.00 -0.89 -0.92 0.00 0.00 175.35 172.71 2j6m n ILE 715 N -0.87 0.00 -3.61 2.17 5.41 -1.05 -4.93 119.36 116.49 2j6m n ILE 715 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.81 2j6m n ILE 715 Cb 0.47 -0.23 -0.03 0.00 -0.71 0.00 0.00 39.64 39.14 2j6m n ILE 715 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2j6m s LYS 716 N -1.45 0.22 0.40 0.38 -2.85 -1.24 -4.98 119.74 110.22 2j6m s LYS 716 Ca 0.00 -0.05 -0.20 0.00 -1.00 0.00 0.00 55.97 54.72 2j6m s LYS 716 Cb 0.00 0.10 -0.11 0.00 -2.06 0.00 0.00 37.83 35.77 2j6m s LYS 716 CO 0.00 -0.09 0.90 0.08 0.10 0.00 0.00 175.35 176.34 2j6m s VAL 717 N -1.95 4.45 0.00 1.79 1.01 -1.26 0.16 120.40 124.59 2j6m s VAL 717 Ca 0.09 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2j6m s VAL 717 Cb -0.01 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2j6m s VAL 717 CO -0.04 -0.27 0.00 0.18 0.00 0.00 0.00 175.10 174.97 2j6m n LEU 718 N -0.52 0.00 -3.19 3.92 4.77 0.05 -4.81 117.00 117.22 2j6m n LEU 718 Ca 0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2j6m n LEU 718 Cb 0.54 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2j6m n LEU 718 CO 0.38 0.00 0.07 -0.83 -1.33 0.00 0.00 177.39 175.68 2j6m s GLY 719 N -1.97 -1.15 -0.60 -0.72 0.00 -1.06 -4.98 107.32 96.84 2j6m s GLY 719 Ca 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 44.72 45.40 2j6m s GLY 719 CO 0.00 3.58 3.08 -1.14 0.00 0.00 0.00 173.10 178.62 2j6m n SER 720 N 5.18 6.61 -4.49 1.64 3.41 -1.26 0.08 113.62 124.79 2j6m n SER 720 Ca 0.06 -2.81 -0.40 0.00 -0.26 0.00 0.00 58.87 55.45 2j6m n SER 720 Cb 0.54 -1.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.13 2j6m n SER 720 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j6m n GLY 721 N 2.06 -1.24 0.38 5.00 0.00 -0.97 -4.70 105.19 105.73 2j6m n GLY 721 Ca 0.54 -0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.68 2j6m n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6m h ALA 722 N 0.67 2.09 0.00 4.61 0.00 -2.02 0.36 119.26 124.96 2j6m h ALA 722 Ca -0.44 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2j6m h ALA 722 Cb 1.39 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2j6m h ALA 722 CO 0.50 -0.31 -0.57 0.27 0.00 0.00 0.00 179.25 179.14 2j6m h PHE 723 N 0.46 0.00 0.00 0.00 -5.15 -1.99 -3.47 116.94 106.80 2j6m h PHE 723 Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 2j6m h PHE 723 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.07 2j6m h PHE 723 CO -0.00 0.57 0.00 0.41 -2.00 0.00 0.00 178.31 177.29 2j6m n GLY 724 N 0.97 3.10 3.78 6.09 0.00 0.13 -2.18 105.19 117.08 2j6m n GLY 724 Ca 0.01 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2j6m n GLY 724 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j6m s THR 725 N -1.45 3.33 -0.05 2.61 -4.23 -1.25 -2.28 115.64 112.31 2j6m s THR 725 Ca 0.00 0.74 0.02 0.00 -1.18 0.00 0.00 61.69 61.27 2j6m s THR 725 Cb 0.00 -3.26 0.01 0.00 1.34 0.00 0.00 72.50 70.60 2j6m s THR 725 CO 0.00 -0.27 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.02 2j6m s VAL 726 N -2.05 0.92 0.27 2.29 1.01 0.11 -3.43 120.40 119.52 2j6m s VAL 726 Ca 0.69 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.41 2j6m s VAL 726 Cb -0.21 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2j6m s VAL 726 CO 0.32 0.31 -0.03 -0.31 0.00 0.00 0.00 175.10 175.38 2j6m s TYR 727 N 0.67 2.63 0.40 5.22 1.51 0.57 -0.77 117.35 127.59 2j6m s TYR 727 Ca -0.12 -0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2j6m s TYR 727 Cb -0.15 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 2j6m s TYR 727 CO 0.02 0.63 0.63 0.21 -1.11 0.00 0.00 175.55 175.93 2j6m s LYS 728 N -3.65 3.31 0.00 -0.62 2.20 0.12 -1.34 119.74 119.77 2j6m s LYS 728 Ca 0.31 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 2j6m s LYS 728 Cb -0.06 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 2j6m s LYS 728 CO 0.19 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 2j6m n GLY 729 N -1.96 -0.31 3.27 5.54 0.00 -0.56 -2.51 105.19 108.65 2j6m n GLY 729 Ca -0.02 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 2j6m n GLY 729 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j6m s LEU 730 N 0.00 2.31 -0.06 0.99 1.43 -0.80 -0.78 118.68 121.76 2j6m s LEU 730 Ca 0.00 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2j6m s LEU 730 Cb 0.00 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.42 2j6m s LEU 730 CO 0.00 0.02 -0.13 0.86 0.23 0.00 0.00 176.35 177.33 2j6m s TRP 731 N -1.25 1.52 -0.41 0.29 -0.00 -0.69 -1.03 118.94 117.36 2j6m s TRP 731 Ca 0.05 -0.53 0.02 0.00 -0.00 0.00 0.00 56.10 55.64 2j6m s TRP 731 Cb -0.10 -1.09 0.12 0.00 -0.00 0.00 0.00 33.47 32.41 2j6m s TRP 731 CO 0.04 -0.25 0.18 0.42 -0.00 0.00 0.00 176.95 177.34 2j6m s ILE 732 N 0.49 1.59 0.72 5.86 1.09 -0.19 0.14 121.20 130.91 2j6m s ILE 732 Ca -0.12 -2.37 -0.14 0.00 -1.10 0.00 0.00 60.65 56.91 2j6m s ILE 732 Cb -0.15 -2.13 -0.10 0.00 -1.06 0.00 0.00 42.46 39.02 2j6m s ILE 732 CO 0.03 -0.79 -0.80 -2.65 -0.10 0.00 0.00 174.94 170.64 2j6m n PRO 733 N 3.88 0.00 0.00 2.79 -0.02 -1.26 -4.80 135.00 135.60 2j6m n PRO 733 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2j6m n PRO 733 Cb 0.37 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2j6m n PRO 733 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2j6m n GLU 734 N 2.13 0.00 -3.93 -0.52 -0.58 -1.26 -3.98 120.64 112.50 2j6m n GLU 734 Ca -0.01 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.42 2j6m n GLU 734 Cb 0.39 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.12 2j6m n GLU 734 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2j6m s GLY 735 N 0.00 2.27 0.00 0.62 0.00 -1.26 -4.78 107.32 104.16 2j6m s GLY 735 Ca 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 44.72 41.72 2j6m s GLY 735 CO 0.00 1.00 0.00 1.18 0.00 0.00 0.00 173.10 175.28 2j6m n GLU 736 N 3.60 2.28 -2.71 2.90 -0.58 -1.26 -5.06 120.64 119.82 2j6m n GLU 736 Ca 0.05 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.69 2j6m n GLU 736 Cb 0.36 -0.75 0.04 0.00 -0.57 0.00 0.00 31.44 30.53 2j6m n GLU 736 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2j6m n LYS 737 N -1.11 -1.50 -3.57 3.49 4.81 -1.26 -5.05 118.16 113.97 2j6m n LYS 737 Ca 0.00 0.69 -0.16 0.00 -0.87 0.00 0.00 58.31 57.96 2j6m n LYS 737 Cb 0.18 -4.54 -0.06 0.00 0.02 0.00 0.00 35.03 30.62 2j6m n LYS 737 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2j6m s VAL 738 N -3.24 0.02 0.04 3.15 -7.23 -1.26 -4.98 120.40 106.90 2j6m s VAL 738 Ca 0.28 -0.13 0.08 0.00 -1.81 0.00 0.00 61.98 60.41 2j6m s VAL 738 Cb -0.04 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.96 2j6m s VAL 738 CO 0.52 -0.07 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.46 2j6m s LYS 739 N -1.45 1.63 -0.11 4.82 1.02 -0.99 -4.03 119.74 120.63 2j6m s LYS 739 Ca -0.10 -1.04 -0.01 0.00 0.02 0.00 0.00 55.97 54.84 2j6m s LYS 739 Cb -0.01 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 2j6m s LYS 739 CO 0.07 0.46 -0.04 0.42 -0.92 0.00 0.00 175.35 175.34 2j6m s ILE 740 N -0.80 0.75 0.29 2.17 1.01 0.12 -1.04 121.20 123.70 2j6m s ILE 740 Ca 0.10 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 2j6m s ILE 740 Cb -0.09 -0.87 -0.12 0.00 0.01 0.00 0.00 42.46 41.38 2j6m s ILE 740 CO 0.02 0.26 1.49 -2.65 0.00 0.00 0.00 174.94 174.06 2j6m n PRO 741 N 5.02 2.42 -3.93 2.79 -0.02 -1.26 -1.71 135.00 138.32 2j6m n PRO 741 Ca -0.10 0.86 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 2j6m n PRO 741 Cb 0.50 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 2j6m n PRO 741 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2j6m s VAL 742 N -0.29 0.12 -0.06 -1.45 -7.23 0.04 -2.43 120.40 109.10 2j6m s VAL 742 Ca 0.63 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2j6m s VAL 742 Cb -0.55 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2j6m s VAL 742 CO 0.52 -0.57 -0.07 0.00 -0.31 0.00 0.00 175.10 174.68 2j6m s ALA 743 N -3.91 3.00 -0.11 1.32 0.00 0.48 -1.50 121.76 121.03 2j6m s ALA 743 Ca 0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 2j6m s ALA 743 Cb 0.05 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.97 2j6m s ALA 743 CO -0.07 0.58 -0.08 0.42 0.00 0.00 0.00 175.76 176.61 2j6m s ILE 744 N -0.84 1.06 -0.19 0.00 1.01 -0.45 -1.52 121.20 120.28 2j6m s ILE 744 Ca 0.13 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.48 2j6m s ILE 744 Cb -0.11 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.32 2j6m s ILE 744 CO 0.02 0.37 -0.14 -0.75 0.00 0.00 0.00 174.94 174.44 2j6m s LYS 745 N 1.66 2.43 0.01 2.79 2.20 0.16 -0.32 119.74 128.67 2j6m s LYS 745 Ca 0.04 -0.81 0.05 0.00 -0.36 0.00 0.00 55.97 54.89 2j6m s LYS 745 Cb -0.13 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.73 2j6m s LYS 745 CO -0.08 -0.32 -0.12 -1.83 -0.36 0.00 0.00 175.35 172.64 2j6m s GLU 746 N 1.36 2.36 -0.59 4.03 -1.05 -1.22 -0.28 118.70 123.30 2j6m s GLU 746 Ca 0.02 -0.82 -0.26 0.00 -0.15 0.00 0.00 54.97 53.76 2j6m s GLU 746 Cb -0.15 -2.37 -0.09 0.00 -0.44 0.00 0.00 34.13 31.09 2j6m s GLU 746 CO -0.10 0.58 2.42 -0.48 0.95 0.00 0.00 175.26 178.63 2j6m s LEU 747 N -1.35 3.23 0.00 1.83 2.34 -1.21 -3.95 118.68 119.57 2j6m s LEU 747 Ca 0.16 0.75 0.00 0.00 0.06 0.00 0.00 54.13 55.10 2j6m s LEU 747 Cb -0.11 -2.52 0.00 0.00 -0.56 0.00 0.00 46.19 43.01 2j6m s LEU 747 CO 0.06 -3.23 0.00 -1.14 -1.06 0.00 0.00 176.35 170.98 2j6m n ARG 748 N 8.95 0.00 0.00 1.48 0.00 -0.93 -4.23 116.66 121.94 2j6m n ARG 748 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 2j6m n ARG 748 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 2j6m n ARG 748 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2j6m n GLU 749 N 0.00 0.00 -1.68 -0.14 0.00 -1.26 -4.42 120.64 113.14 2j6m n GLU 749 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.79 2j6m n GLU 749 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.50 2j6m n GLU 749 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2j6m n ALA 750 N -2.04 0.78 -3.25 4.31 0.00 -1.26 -4.91 120.51 114.13 2j6m n ALA 750 Ca 0.00 0.01 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2j6m n ALA 750 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 2j6m n ALA 750 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2j6m s THR 751 N -1.43 5.33 -0.35 0.00 2.01 -1.26 -4.97 115.64 114.97 2j6m s THR 751 Ca 0.80 -1.98 -0.10 0.00 0.31 0.00 0.00 61.69 60.72 2j6m s THR 751 Cb -0.40 -4.48 0.02 0.00 0.01 0.00 0.00 72.50 67.65 2j6m s THR 751 CO 0.43 -1.06 0.18 -0.94 -0.69 0.00 0.00 174.62 172.54 2j6m s SER 752 N 2.82 5.63 0.36 3.53 1.04 -1.26 -4.95 113.70 120.87 2j6m s SER 752 Ca 0.15 -0.83 0.28 0.00 0.48 0.00 0.00 55.95 56.03 2j6m s SER 752 Cb -0.16 -2.00 1.21 0.00 0.10 0.00 0.00 66.02 65.17 2j6m s SER 752 CO -0.05 -0.31 1.24 -2.65 0.98 0.00 0.00 173.24 172.45 2j6m n PRO 753 N 4.98 -0.02 0.05 4.02 -0.02 -1.26 0.53 135.00 143.27 2j6m n PRO 753 Ca -0.13 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2j6m n PRO 753 Cb 0.47 -1.96 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 2j6m n PRO 753 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2j6m h LYS 754 N 0.00 -0.05 -0.53 -0.52 1.57 -2.02 -3.10 116.57 111.92 2j6m h LYS 754 Ca 0.71 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.43 2j6m h LYS 754 Cb 2.36 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 34.66 2j6m h LYS 754 CO -0.32 0.06 0.11 0.00 -0.57 0.00 0.00 179.45 178.73 2j6m h ALA 755 N 0.81 0.70 -0.95 3.86 0.00 -0.33 -3.14 119.26 120.21 2j6m h ALA 755 Ca -0.01 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.91 2j6m h ALA 755 Cb 0.13 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2j6m h ALA 755 CO 0.01 0.42 0.64 -0.91 0.00 0.00 0.00 179.25 179.41 2j6m h ASN 756 N 0.76 0.32 -0.44 0.00 2.35 -1.41 -1.81 115.58 115.35 2j6m h ASN 756 Ca 0.16 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2j6m h ASN 756 Cb 0.37 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2j6m h ASN 756 CO 0.01 0.11 0.28 0.50 -1.65 0.00 0.00 177.43 176.67 2j6m h LYS 757 N 0.31 0.59 -0.23 0.81 3.64 -1.49 -2.88 116.57 117.32 2j6m h LYS 757 Ca 0.50 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.64 2j6m h LYS 757 Cb 1.41 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2j6m h LYS 757 CO -0.17 0.42 -0.62 0.93 -2.27 0.00 0.00 179.45 177.74 2j6m h GLU 758 N 0.59 0.80 -0.09 1.90 5.08 -1.49 -2.61 114.58 118.76 2j6m h GLU 758 Ca 0.16 -0.55 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 2j6m h GLU 758 Cb -0.03 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2j6m h GLU 758 CO -0.03 1.17 -0.10 0.97 -1.00 0.00 0.00 179.01 180.02 2j6m h ILE 759 N 0.59 1.13 0.00 3.13 2.10 -1.51 -1.44 117.51 121.51 2j6m h ILE 759 Ca -0.01 -0.56 -0.12 0.00 1.08 0.00 0.00 64.86 65.25 2j6m h ILE 759 Cb 1.23 1.18 -0.02 0.00 -1.09 0.00 0.00 36.82 38.12 2j6m h ILE 759 CO 0.13 0.17 -0.58 -0.07 -1.08 0.00 0.00 178.15 176.72 2j6m h LEU 760 N 0.13 0.00 -0.88 2.19 3.38 -1.44 -2.11 115.31 116.58 2j6m h LEU 760 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2j6m h LEU 760 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2j6m h LEU 760 CO 0.02 0.58 -0.14 0.44 0.09 0.00 0.00 178.44 179.43 2j6m h ASP 761 N 0.00 0.67 -0.13 -0.43 3.32 -0.89 0.25 116.42 119.21 2j6m h ASP 761 Ca -0.01 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 2j6m h ASP 761 Cb 1.43 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 2j6m h ASP 761 CO 0.08 0.83 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.34 2j6m h GLU 762 N 0.61 0.23 -0.99 3.56 4.81 -1.28 -1.15 114.58 120.37 2j6m h GLU 762 Ca 0.10 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2j6m h GLU 762 Cb 0.59 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 2j6m h GLU 762 CO 0.04 0.48 0.64 0.00 -0.73 0.00 0.00 179.01 179.43 2j6m h ALA 763 N 0.74 1.48 0.72 2.92 0.00 -0.88 0.34 119.26 124.58 2j6m h ALA 763 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2j6m h ALA 763 Cb 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2j6m h ALA 763 CO 0.01 0.33 -0.35 -0.92 0.00 0.00 0.00 179.25 178.33 2j6m h TYR 764 N 1.08 -0.90 -0.18 0.00 5.03 -0.10 -1.61 116.97 120.28 2j6m h TYR 764 Ca 0.45 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.76 2j6m h TYR 764 Cb 0.31 0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.87 2j6m h TYR 764 CO -0.00 -0.54 0.06 0.28 -1.32 0.00 0.00 178.16 176.65 2j6m h VAL 765 N -1.09 0.96 0.00 1.81 2.07 -0.80 -2.60 116.25 116.60 2j6m h VAL 765 Ca -0.10 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2j6m h VAL 765 Cb 0.77 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2j6m h VAL 765 CO 0.16 0.03 0.00 -0.03 0.02 0.00 0.00 177.57 177.75 2j6m h MET 766 N 0.15 0.00 -0.00 1.57 4.05 -0.33 -0.13 114.93 120.24 2j6m h MET 766 Ca 0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2j6m h MET 766 Cb 0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 2j6m h MET 766 CO -0.08 0.00 -0.66 0.00 0.23 0.00 0.00 176.91 176.40 2j6m n ALA 767 N -1.92 3.94 -0.49 0.39 0.00 -0.61 0.79 120.51 122.62 2j6m n ALA 767 Ca -0.01 -0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.09 2j6m n ALA 767 Cb 0.14 -0.99 0.34 0.00 0.00 0.00 0.00 19.45 18.95 2j6m n ALA 767 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2j6m n SER 768 N -1.38 4.35 -4.34 0.00 7.64 -0.06 -4.66 113.62 115.17 2j6m n SER 768 Ca 0.06 -2.20 -0.28 0.00 1.01 0.00 0.00 58.87 57.46 2j6m n SER 768 Cb 0.34 -0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 62.87 2j6m n SER 768 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2j6m s VAL 769 N -1.37 2.04 -0.41 0.44 -7.23 -1.22 -5.03 120.40 107.61 2j6m s VAL 769 Ca 0.51 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 2j6m s VAL 769 Cb 0.29 -1.79 0.17 0.00 0.56 0.00 0.00 36.38 35.61 2j6m s VAL 769 CO 0.30 0.15 0.47 -0.62 -0.31 0.00 0.00 175.10 175.09 2j6m s ASP 770 N -1.70 0.30 -0.08 4.85 2.15 -1.26 -4.73 116.67 116.20 2j6m s ASP 770 Ca 0.11 -1.71 -0.13 0.00 0.43 0.00 0.00 52.55 51.26 2j6m s ASP 770 Cb -0.10 0.88 0.03 0.00 -0.30 0.00 0.00 42.92 43.43 2j6m s ASP 770 CO 0.04 -0.19 0.32 0.21 -0.17 0.00 0.00 175.17 175.38 2j6m s ASN 771 N 1.19 -0.28 0.00 -0.34 3.84 -1.26 -5.03 114.94 113.06 2j6m s ASN 771 Ca 0.21 0.44 0.00 0.00 0.21 0.00 0.00 52.86 53.72 2j6m s ASN 771 Cb -0.08 0.54 0.00 0.00 -0.55 0.00 0.00 41.25 41.15 2j6m s ASN 771 CO -0.06 -0.25 0.89 -2.65 -2.79 0.00 0.00 177.10 172.25 2j6m n PRO 772 N 2.25 0.00 -1.58 0.43 -0.02 -1.26 -2.37 135.00 132.45 2j6m n PRO 772 Ca -0.16 0.40 -0.06 0.00 -2.02 0.00 0.00 63.50 61.65 2j6m n PRO 772 Cb 0.57 -1.57 0.09 0.00 -0.02 0.00 0.00 33.50 32.57 2j6m n PRO 772 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2j6m n HIS 773 N -1.39 1.21 -3.77 6.00 8.25 -1.26 -4.83 115.22 119.42 2j6m n HIS 773 Ca 0.00 -1.72 -0.13 0.00 -0.26 0.00 0.00 57.72 55.61 2j6m n HIS 773 Cb 0.07 -0.27 -0.11 0.00 1.12 0.00 0.00 29.99 30.80 2j6m n HIS 773 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2j6m s VAL 774 N -3.38 0.00 -0.18 1.59 1.01 -1.00 -2.17 120.40 116.27 2j6m s VAL 774 Ca 0.41 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 2j6m s VAL 774 Cb 0.38 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 36.33 2j6m s VAL 774 CO -0.04 -0.01 0.92 0.00 0.00 0.00 0.00 175.10 175.97 2j6m s ARG 776 N 2.48 3.54 0.17 0.00 3.52 -1.26 -4.90 118.95 122.50 2j6m s ARG 776 Ca 0.41 -0.18 -0.30 0.00 -0.13 0.00 0.00 55.73 55.53 2j6m s ARG 776 Cb -0.16 -3.04 -0.08 0.00 -1.56 0.00 0.00 34.95 30.11 2j6m s ARG 776 CO 0.11 0.62 1.10 -1.17 -0.81 0.00 0.00 175.30 175.16 2j6m s LEU 777 N -2.05 4.48 0.01 -0.88 2.96 0.24 -4.28 118.68 119.16 2j6m s LEU 777 Ca 0.31 2.09 0.10 0.00 -0.22 0.00 0.00 54.13 56.41 2j6m s LEU 777 Cb -0.13 -3.60 -0.23 0.00 0.50 0.00 0.00 46.19 42.73 2j6m s LEU 777 CO 0.20 -0.23 0.85 -0.07 -1.32 0.00 0.00 176.35 175.77 2j6m h LEU 778 N 5.16 0.02 0.00 -0.68 3.38 -1.21 -3.44 115.31 118.54 2j6m h LEU 778 Ca -0.44 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2j6m h LEU 778 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2j6m h LEU 778 CO 0.73 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.90 2j6m n GLY 779 N 1.51 1.85 3.61 0.83 0.00 -1.11 -4.52 105.19 107.35 2j6m n GLY 779 Ca -0.12 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 2j6m n GLY 779 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j6m s ILE 780 N -1.98 3.06 -0.16 -0.61 -4.36 0.54 -2.09 121.20 115.60 2j6m s ILE 780 Ca 0.00 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.36 2j6m s ILE 780 Cb 0.00 -2.72 0.04 0.00 1.25 0.00 0.00 42.46 41.03 2j6m s ILE 780 CO 0.00 -0.34 -0.06 0.00 0.24 0.00 0.00 174.94 174.78 2j6m n LEU 782 N 4.88 7.05 0.00 0.00 4.77 -1.26 -2.51 117.00 129.92 2j6m n LEU 782 Ca -0.12 -4.28 -0.02 0.00 -0.03 0.00 0.00 56.01 51.56 2j6m n LEU 782 Cb 0.48 -1.32 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 2j6m n LEU 782 CO 0.17 1.87 0.05 0.35 -1.33 0.00 0.00 177.39 178.50 2j6m n THR 783 N 1.54 0.00 -0.32 -5.08 -2.24 -1.26 -4.80 114.28 102.12 2j6m n THR 783 Ca 0.55 -0.06 0.30 0.00 -2.27 0.00 0.00 64.05 62.57 2j6m n THR 783 Cb 0.46 -1.64 0.53 0.00 -2.10 0.00 0.00 70.33 67.59 2j6m n THR 783 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2j6m n SER 784 N -3.08 0.25 -4.31 3.42 3.41 -1.26 -4.19 113.62 107.87 2j6m n SER 784 Ca 0.01 1.33 -0.25 0.00 -0.26 0.00 0.00 58.87 59.70 2j6m n SER 784 Cb 0.04 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.22 2j6m n SER 784 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2j6m s THR 785 N -5.19 1.81 0.02 6.66 -1.32 -1.26 -4.93 115.64 111.43 2j6m s THR 785 Ca -0.07 -1.61 -0.28 0.00 -1.21 0.00 0.00 61.69 58.52 2j6m s THR 785 Cb 0.28 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.58 2j6m s THR 785 CO 0.68 -0.06 0.88 0.68 -2.21 0.00 0.00 174.62 174.58 2j6m s VAL 786 N -1.23 4.79 0.01 5.08 -7.23 -1.26 -4.70 120.40 115.88 2j6m s VAL 786 Ca 0.08 1.86 0.08 0.00 -1.81 0.00 0.00 61.98 62.19 2j6m s VAL 786 Cb -0.10 -4.23 -0.03 0.00 0.56 0.00 0.00 36.38 32.59 2j6m s VAL 786 CO 0.05 0.25 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.75 2j6m s GLN 787 N 0.53 1.99 -0.15 4.82 -0.21 -1.04 -3.31 119.66 122.29 2j6m s GLN 787 Ca 0.45 -1.00 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 2j6m s GLN 787 Cb -0.21 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 2j6m s GLN 787 CO 0.25 0.54 0.03 -0.51 -2.12 0.00 0.00 175.29 173.49 2j6m s LEU 788 N -1.00 3.68 -0.15 2.90 1.43 0.61 -2.64 118.68 123.51 2j6m s LEU 788 Ca 0.11 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2j6m s LEU 788 Cb -0.10 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.25 2j6m s LEU 788 CO 0.01 0.23 -0.13 -0.63 0.23 0.00 0.00 176.35 176.07 2j6m s ILE 789 N -0.01 1.54 0.21 -0.59 1.09 -0.89 -0.67 121.20 121.88 2j6m s ILE 789 Ca 0.04 -0.67 0.01 0.00 -1.10 0.00 0.00 60.65 58.93 2j6m s ILE 789 Cb -0.12 -1.48 -0.05 0.00 -1.06 0.00 0.00 42.46 39.74 2j6m s ILE 789 CO 0.01 0.40 0.05 0.28 -0.10 0.00 0.00 174.94 175.59 2j6m s THR 790 N 1.49 0.54 0.46 2.92 -1.32 -0.57 -0.64 115.64 118.52 2j6m s THR 790 Ca 0.04 -1.99 -0.23 0.00 -1.21 0.00 0.00 61.69 58.30 2j6m s THR 790 Cb -0.13 -2.36 -0.09 0.00 -1.51 0.00 0.00 72.50 68.41 2j6m s THR 790 CO -0.10 -0.24 1.11 1.67 -2.21 0.00 0.00 174.62 174.84 2j6m n GLN 791 N -0.33 1.47 -2.77 7.08 7.27 -1.26 -0.39 117.38 128.46 2j6m n GLN 791 Ca -0.03 0.53 -0.41 0.00 0.07 0.00 0.00 57.00 57.16 2j6m n GLN 791 Cb 0.65 -2.21 -0.04 0.00 2.41 0.00 0.00 30.24 31.05 2j6m n GLN 791 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2j6m s LEU 792 N -1.36 4.40 -0.89 1.69 2.96 -1.02 -4.30 118.68 120.16 2j6m s LEU 792 Ca 0.65 1.63 -0.04 0.00 -0.22 0.00 0.00 54.13 56.15 2j6m s LEU 792 Cb -0.51 -3.50 0.22 0.00 0.50 0.00 0.00 46.19 42.90 2j6m s LEU 792 CO 0.55 -0.18 0.79 -0.04 -1.32 0.00 0.00 176.35 176.15 2j6m s MET 793 N 0.67 3.36 0.20 1.98 -1.94 -1.26 -4.94 119.30 117.37 2j6m s MET 793 Ca 0.48 -3.10 -0.12 0.00 -1.71 0.00 0.00 55.69 51.24 2j6m s MET 793 Cb -0.21 -4.06 0.26 0.00 2.01 0.00 0.00 34.83 32.82 2j6m s MET 793 CO 0.27 -1.25 1.30 -2.30 -0.01 0.00 0.00 175.02 173.03 2j6m n PRO 794 N 2.68 -0.16 0.00 2.03 -0.02 -1.25 -1.43 135.00 136.85 2j6m n PRO 794 Ca 0.19 1.29 0.04 0.00 -2.02 0.00 0.00 63.50 63.00 2j6m n PRO 794 Cb 0.38 -1.92 0.23 0.00 -0.02 0.00 0.00 33.50 32.18 2j6m n PRO 794 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2j6m n PHE 795 N -5.27 0.00 -4.26 6.00 3.01 -1.14 -5.00 117.46 110.80 2j6m n PHE 795 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 2j6m n PHE 795 Cb 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 2j6m n PHE 795 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2j6m n GLY 796 N 0.26 -1.17 3.85 1.37 0.00 -0.51 -4.76 105.19 104.23 2j6m n GLY 796 Ca 0.06 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2j6m n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6m h LEU 798 N 1.47 1.03 0.39 0.00 5.85 -1.14 -2.45 115.31 120.46 2j6m h LEU 798 Ca -0.48 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2j6m h LEU 798 Cb 1.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2j6m h LEU 798 CO 0.63 0.65 -0.39 0.25 -0.34 0.00 0.00 178.44 179.24 2j6m h LEU 799 N 1.16 -1.06 -0.90 2.25 5.85 -1.80 -1.22 115.31 119.59 2j6m h LEU 799 Ca 0.44 0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.38 2j6m h LEU 799 Cb 0.19 0.35 -0.09 0.00 0.37 0.00 0.00 40.66 41.48 2j6m h LEU 799 CO -0.18 -0.51 0.51 0.44 -0.34 0.00 0.00 178.44 178.36 2j6m h ASP 800 N -0.77 0.66 -0.95 1.25 3.45 -1.88 -2.08 116.42 116.10 2j6m h ASP 800 Ca -0.05 0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.53 2j6m h ASP 800 Cb 0.67 -0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 39.35 2j6m h ASP 800 CO -0.05 0.30 0.62 0.22 -1.57 0.00 0.00 179.24 178.76 2j6m h TYR 801 N 0.73 1.16 -0.22 4.55 5.03 -0.93 0.71 116.97 127.99 2j6m h TYR 801 Ca 0.48 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.62 2j6m h TYR 801 Cb 0.63 -0.38 0.00 0.00 1.55 0.00 0.00 36.73 38.53 2j6m h TYR 801 CO -0.06 0.66 -0.64 -0.39 -1.32 0.00 0.00 178.16 176.41 2j6m h VAL 802 N 1.19 1.28 -0.44 1.81 -1.51 -0.57 -1.89 116.25 116.13 2j6m h VAL 802 Ca 0.38 -1.84 0.03 0.00 -1.23 0.00 0.00 66.70 64.04 2j6m h VAL 802 Cb 0.01 1.79 -0.03 0.00 -2.13 0.00 0.00 31.29 30.92 2j6m h VAL 802 CO -0.12 0.59 0.24 0.03 -1.23 0.00 0.00 177.57 177.08 2j6m h ARG 803 N 0.60 0.46 0.00 5.19 3.08 -0.96 -0.62 114.38 122.13 2j6m h ARG 803 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2j6m h ARG 803 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2j6m h ARG 803 CO 0.14 0.31 0.00 1.49 -1.07 0.00 0.00 179.97 180.83 2j6m h GLU 804 N 0.48 0.00 0.00 0.04 4.81 -0.79 -3.33 114.58 115.79 2j6m h GLU 804 Ca 0.18 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2j6m h GLU 804 Cb 0.06 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.28 2j6m h GLU 804 CO -0.11 0.00 -0.65 0.72 -0.73 0.00 0.00 179.01 178.24 2j6m n HIS 805 N -2.47 0.00 -0.31 0.92 8.25 -0.69 -4.91 115.22 116.01 2j6m n HIS 805 Ca 0.03 -0.75 0.04 0.00 -0.26 0.00 0.00 57.72 56.77 2j6m n HIS 805 Cb 0.30 -0.16 0.11 0.00 1.12 0.00 0.00 29.99 31.37 2j6m n HIS 805 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2j6m h LYS 806 N 0.67 0.00 -0.47 -0.41 1.57 -1.27 -0.07 116.57 116.59 2j6m h LYS 806 Ca -0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2j6m h LYS 806 Cb 1.43 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2j6m h LYS 806 CO 0.04 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 2j6m n ASP 807 N -5.56 0.47 0.00 0.86 8.00 -1.26 -2.92 116.55 116.15 2j6m n ASP 807 Ca 0.13 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.59 2j6m n ASP 807 Cb 0.44 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2j6m n ASP 807 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2j6m n ASN 808 N 0.16 0.00 -4.51 -2.24 3.02 -0.06 -5.05 115.26 106.58 2j6m n ASN 808 Ca 0.00 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.12 2j6m n ASN 808 Cb 0.12 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 2j6m n ASN 808 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2j6m s ILE 809 N 0.00 4.96 0.62 2.41 1.01 -1.10 -5.06 121.20 124.04 2j6m s ILE 809 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 2j6m s ILE 809 Cb 0.00 -4.10 0.06 0.00 0.01 0.00 0.00 42.46 38.43 2j6m s ILE 809 CO 0.00 -0.46 0.87 -0.83 0.00 0.00 0.00 174.94 174.52 2j6m s GLY 810 N 1.89 1.79 0.30 6.18 0.00 -1.26 -4.96 107.32 111.26 2j6m s GLY 810 Ca 0.18 -1.38 -0.00 0.00 0.00 0.00 0.00 44.72 43.52 2j6m s GLY 810 CO 0.16 -1.00 1.93 1.48 0.00 0.00 0.00 173.10 175.68 2j6m h SER 811 N -0.20 0.92 -0.47 1.64 4.64 -1.91 -2.43 113.55 115.73 2j6m h SER 811 Ca -0.41 -0.01 0.08 0.00 -0.47 0.00 0.00 61.79 60.99 2j6m h SER 811 Cb 1.29 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 63.10 2j6m h SER 811 CO 0.50 0.62 0.06 -0.61 -0.87 0.00 0.00 176.83 176.53 2j6m h GLN 812 N 1.06 0.18 0.21 4.77 5.75 -1.94 -1.89 115.11 123.25 2j6m h GLN 812 Ca 0.36 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.84 2j6m h GLN 812 Cb 0.08 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.59 2j6m h GLN 812 CO -0.11 0.12 -0.10 1.88 -2.65 0.00 0.00 178.83 177.96 2j6m h TYR 813 N 0.18 -0.26 -0.34 3.99 0.99 -1.84 -0.42 116.97 119.28 2j6m h TYR 813 Ca 0.24 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 61.02 2j6m h TYR 813 Cb 0.33 0.09 -0.08 0.00 1.00 0.00 0.00 36.73 38.06 2j6m h TYR 813 CO -0.25 0.03 -0.43 -0.07 -0.00 0.00 0.00 178.16 177.44 2j6m h LEU 814 N -0.56 -1.41 -1.06 3.88 3.38 -1.25 0.32 115.31 118.61 2j6m h LEU 814 Ca -0.03 0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2j6m h LEU 814 Cb 0.41 0.60 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2j6m h LEU 814 CO 0.05 -0.38 -0.14 -0.07 0.09 0.00 0.00 178.44 177.98 2j6m h LEU 815 N -0.37 0.49 -0.70 1.67 3.38 -1.39 -1.62 115.31 116.77 2j6m h LEU 815 Ca 0.12 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2j6m h LEU 815 Cb 0.59 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2j6m h LEU 815 CO -0.53 0.66 0.18 0.78 0.09 0.00 0.00 178.44 179.62 2j6m h ASN 816 N 0.46 1.06 -0.10 -0.43 4.21 0.22 -1.09 115.58 119.91 2j6m h ASN 816 Ca 0.08 -0.23 -0.13 0.00 1.21 0.00 0.00 56.30 57.24 2j6m h ASN 816 Cb 0.52 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 2j6m h ASN 816 CO 0.03 1.01 -0.35 -0.50 -1.29 0.00 0.00 177.43 176.33 2j6m h TRP 817 N 1.06 0.71 0.00 1.19 6.55 -0.10 -1.72 115.95 123.64 2j6m h TRP 817 Ca 0.22 -0.19 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 2j6m h TRP 817 Cb 0.36 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 2j6m h TRP 817 CO 0.03 0.88 -0.12 0.00 -1.05 0.00 0.00 178.44 178.18 2j6m h VAL 819 N 0.00 1.48 -0.10 0.00 2.07 -0.67 -2.74 116.25 116.30 2j6m h VAL 819 Ca -0.00 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 2j6m h VAL 819 Cb 0.21 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2j6m h VAL 819 CO 0.02 0.48 -0.04 1.56 0.02 0.00 0.00 177.57 179.60 2j6m h GLN 820 N -0.37 0.14 0.06 1.57 4.20 -0.61 -0.61 115.11 119.48 2j6m h GLN 820 Ca -0.02 -0.02 -0.25 0.00 0.06 0.00 0.00 58.65 58.42 2j6m h GLN 820 Cb 0.89 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.65 2j6m h GLN 820 CO 0.04 0.19 -1.08 0.82 -0.67 0.00 0.00 178.83 178.13 2j6m h ILE 821 N 0.14 1.40 -0.30 2.54 2.04 -1.26 -1.41 117.51 120.65 2j6m h ILE 821 Ca 0.03 -2.60 -0.04 0.00 1.00 0.00 0.00 64.86 63.26 2j6m h ILE 821 Cb 0.17 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2j6m h ILE 821 CO 0.01 0.77 0.03 0.00 0.00 0.00 0.00 178.15 178.96 2j6m h ALA 822 N 0.60 1.49 -0.02 1.87 0.00 -1.01 -0.60 119.26 121.59 2j6m h ALA 822 Ca -0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2j6m h ALA 822 Cb 1.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2j6m h ALA 822 CO 0.19 0.37 -0.04 0.87 0.00 0.00 0.00 179.25 180.64 2j6m h LYS 823 N 0.44 0.06 -0.43 0.00 1.57 -0.97 -1.15 116.57 116.09 2j6m h LYS 823 Ca 0.10 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2j6m h LYS 823 Cb 0.24 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 2j6m h LYS 823 CO 0.00 0.63 0.07 0.78 -0.57 0.00 0.00 179.45 180.36 2j6m h GLY 824 N -0.51 0.50 1.06 3.86 0.00 -0.92 -0.20 103.07 106.87 2j6m h GLY 824 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 2j6m h GLY 824 CO 0.01 -0.05 0.18 -0.33 0.00 0.00 0.00 176.54 176.34 2j6m h MET 825 N 0.20 1.14 -0.37 4.80 2.86 -1.13 -1.40 114.93 121.02 2j6m h MET 825 Ca 0.21 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2j6m h MET 825 Cb 0.27 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2j6m h MET 825 CO -0.28 1.00 0.20 -0.97 1.06 0.00 0.00 176.91 177.92 2j6m h ASN 826 N 1.08 0.44 0.02 1.22 -1.24 -0.38 0.16 115.58 116.87 2j6m h ASN 826 Ca 0.22 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 2j6m h ASN 826 Cb 0.36 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.30 2j6m h ASN 826 CO 0.00 0.36 -0.01 0.22 -1.29 0.00 0.00 177.43 176.71 2j6m h TYR 827 N 0.51 -0.03 -0.64 0.67 3.20 -0.05 -1.35 116.97 119.29 2j6m h TYR 827 Ca 0.13 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2j6m h TYR 827 Cb 0.01 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2j6m h TYR 827 CO 0.00 0.23 0.42 -0.07 -1.64 0.00 0.00 178.16 177.10 2j6m h LEU 828 N -0.28 0.65 -0.31 2.82 3.38 -0.32 -0.85 115.31 120.40 2j6m h LEU 828 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2j6m h LEU 828 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2j6m h LEU 828 CO 0.00 0.45 0.17 -0.08 0.09 0.00 0.00 178.44 179.07 2j6m h GLU 829 N 0.75 0.44 -0.53 1.13 4.81 -0.38 0.31 114.58 121.10 2j6m h GLU 829 Ca 0.26 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2j6m h GLU 829 Cb 0.09 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2j6m h GLU 829 CO -0.07 0.37 0.35 -0.44 -0.73 0.00 0.00 179.01 178.50 2j6m h ASP 830 N 0.38 0.55 -0.17 1.04 3.45 -0.09 0.34 116.42 121.92 2j6m h ASP 830 Ca 0.11 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.56 2j6m h ASP 830 Cb 0.07 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2j6m h ASP 830 CO -0.02 0.39 0.00 0.54 -1.57 0.00 0.00 179.24 178.58 2j6m n ARG 831 N -4.47 2.13 -4.22 3.56 5.12 -0.44 -4.86 116.66 113.48 2j6m n ARG 831 Ca 0.06 -0.93 -0.34 0.00 -1.93 0.00 0.00 57.85 54.71 2j6m n ARG 831 Cb 0.11 -1.71 -0.04 0.00 -1.16 0.00 0.00 32.46 29.66 2j6m n ARG 831 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2j6m n ARG 832 N 0.18 -2.60 -3.98 5.56 1.74 0.12 -4.85 116.66 112.83 2j6m n ARG 832 Ca 0.08 0.31 -0.31 0.00 -0.77 0.00 0.00 57.85 57.17 2j6m n ARG 832 Cb 0.52 -4.74 -0.15 0.00 -1.02 0.00 0.00 32.46 27.06 2j6m n ARG 832 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2j6m s LEU 833 N -7.21 2.87 -0.27 0.55 2.96 0.10 -1.92 118.68 115.76 2j6m s LEU 833 Ca 0.50 -1.25 -0.26 0.00 -0.22 0.00 0.00 54.13 52.90 2j6m s LEU 833 Cb -0.28 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.11 2j6m s LEU 833 CO 0.94 -0.22 0.92 -0.69 -1.32 0.00 0.00 176.35 175.98 2j6m s VAL 834 N 1.29 4.73 0.15 1.68 1.01 -0.02 -4.36 120.40 124.88 2j6m s VAL 834 Ca -0.07 1.63 -0.12 0.00 0.00 0.00 0.00 61.98 63.43 2j6m s VAL 834 Cb -0.19 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.97 2j6m s VAL 834 CO -0.06 -0.22 1.59 -0.74 0.00 0.00 0.00 175.10 175.67 2j6m h HIS 835 N 7.80 1.00 0.00 5.22 2.76 -1.90 0.15 115.15 130.18 2j6m h HIS 835 Ca -0.22 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 2j6m h HIS 835 Cb 1.08 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2j6m h HIS 835 CO 0.77 0.95 0.00 0.54 -1.30 0.00 0.00 177.93 178.90 2j6m n ARG 836 N -4.27 0.00 -2.76 5.26 1.74 -1.26 -3.13 116.66 112.24 2j6m n ARG 836 Ca 0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 2j6m n ARG 836 Cb 0.35 -3.81 0.05 0.00 -1.02 0.00 0.00 32.46 28.03 2j6m n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2j6m n ASP 837 N 0.00 1.23 -4.71 0.55 4.64 -1.26 -4.94 116.55 112.06 2j6m n ASP 837 Ca 0.00 -2.31 -0.42 0.00 -1.38 0.00 0.00 54.79 50.68 2j6m n ASP 837 Cb 0.00 -0.38 -0.03 0.00 -1.04 0.00 0.00 41.12 39.67 2j6m n ASP 837 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2j6m s LEU 838 N -3.54 4.35 0.09 -2.67 2.96 -1.26 -4.81 118.68 113.80 2j6m s LEU 838 Ca 0.26 1.97 -0.26 0.00 -0.22 0.00 0.00 54.13 55.88 2j6m s LEU 838 Cb 0.38 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.58 2j6m s LEU 838 CO -0.02 -0.50 0.84 0.00 -1.32 0.00 0.00 176.35 175.36 2j6m s ALA 839 N 1.33 -1.69 0.37 5.97 0.00 -1.26 -4.77 121.76 121.72 2j6m s ALA 839 Ca 0.58 0.57 0.05 0.00 0.00 0.00 0.00 51.96 53.17 2j6m s ALA 839 Cb -0.28 0.60 0.73 0.00 0.00 0.00 0.00 23.12 24.16 2j6m s ALA 839 CO 0.28 -0.83 2.00 0.00 0.00 0.00 0.00 175.76 177.21 2j6m h ALA 840 N 2.00 1.57 -0.08 0.00 0.00 -1.92 -1.66 119.26 119.17 2j6m h ALA 840 Ca -0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2j6m h ALA 840 Cb 1.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2j6m h ALA 840 CO 0.30 0.36 -0.10 0.07 0.00 0.00 0.00 179.25 179.88 2j6m h ARG 841 N 0.63 0.12 -0.72 0.00 0.11 -1.95 -2.82 114.38 109.74 2j6m h ARG 841 Ca 0.16 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.22 2j6m h ARG 841 Cb 0.03 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2j6m h ARG 841 CO -0.03 0.23 0.00 0.09 0.10 0.00 0.00 179.97 180.36 2j6m n ASN 842 N -4.35 4.13 -4.34 0.08 3.02 -0.63 -4.72 115.26 108.45 2j6m n ASN 842 Ca -0.02 -2.61 -0.32 0.00 -0.03 0.00 0.00 54.58 51.60 2j6m n ASN 842 Cb 0.21 -0.62 -0.15 0.00 -0.61 0.00 0.00 39.78 38.61 2j6m n ASN 842 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2j6m s VAL 843 N -2.16 2.49 0.08 2.41 1.01 -1.07 -0.68 120.40 122.47 2j6m s VAL 843 Ca 0.36 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2j6m s VAL 843 Cb 0.27 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2j6m s VAL 843 CO 0.11 0.57 -0.20 -0.76 0.00 0.00 0.00 175.10 174.81 2j6m s LEU 844 N -0.23 2.55 -0.41 3.92 1.43 0.10 -0.97 118.68 125.08 2j6m s LEU 844 Ca -0.01 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.36 2j6m s LEU 844 Cb -0.13 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.64 2j6m s LEU 844 CO 0.03 0.22 0.62 -0.69 0.23 0.00 0.00 176.35 176.76 2j6m s VAL 845 N -1.00 4.88 -0.11 -1.59 1.01 0.83 -1.23 120.40 123.19 2j6m s VAL 845 Ca 0.15 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 2j6m s VAL 845 Cb -0.10 -4.14 -0.27 0.00 0.00 0.00 0.00 36.38 31.86 2j6m s VAL 845 CO 0.07 -0.48 0.75 0.50 0.00 0.00 0.00 175.10 175.94 2j6m h LYS 846 N 8.73 0.11 -4.23 2.72 3.64 -1.03 -3.02 116.57 123.49 2j6m h LYS 846 Ca -0.26 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 58.75 2j6m h LYS 846 Cb 1.10 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.87 2j6m h LYS 846 CO 0.86 1.09 -0.41 0.95 -2.27 0.00 0.00 179.45 179.67 2j6m s THR 847 N -2.31 0.00 -0.44 1.00 -4.23 -1.16 -4.47 115.64 104.03 2j6m s THR 847 Ca -0.18 -1.76 0.22 0.00 -1.18 0.00 0.00 61.69 58.79 2j6m s THR 847 Cb -0.01 -2.40 0.23 0.00 1.34 0.00 0.00 72.50 71.67 2j6m s THR 847 CO 0.73 0.00 1.68 -2.65 -0.54 0.00 0.00 174.62 173.84 2j6m n PRO 848 N -0.34 0.17 -0.32 3.99 -0.02 -1.26 -1.49 135.00 135.74 2j6m n PRO 848 Ca 0.01 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.04 2j6m n PRO 848 Cb 0.64 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 32.48 2j6m n PRO 848 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j6m n GLN 849 N -2.21 2.96 -3.42 -0.52 10.64 -1.26 -4.88 117.38 118.69 2j6m n GLN 849 Ca 0.01 -2.41 -0.16 0.00 -1.83 0.00 0.00 57.00 52.61 2j6m n GLN 849 Cb 0.18 -1.49 -0.10 0.00 -0.86 0.00 0.00 30.24 27.96 2j6m n GLN 849 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2j6m s HIS 850 N -1.28 -0.46 0.15 2.61 2.46 -0.55 -5.04 115.29 113.18 2j6m s HIS 850 Ca 0.36 0.09 0.07 0.00 0.47 0.00 0.00 55.06 56.04 2j6m s HIS 850 Cb 0.21 -0.37 -0.04 0.00 -0.13 0.00 0.00 32.58 32.25 2j6m s HIS 850 CO 0.21 -0.80 -0.02 0.14 -2.47 0.00 0.00 174.74 171.80 2j6m s VAL 851 N 2.38 3.67 0.03 0.89 -7.23 -1.26 -0.40 120.40 118.48 2j6m s VAL 851 Ca 0.09 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 58.94 2j6m s VAL 851 Cb -0.15 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2j6m s VAL 851 CO -0.24 -0.03 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.91 2j6m s LYS 852 N -2.70 0.46 0.02 4.82 1.02 -0.37 -4.71 119.74 118.29 2j6m s LYS 852 Ca 0.26 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 2j6m s LYS 852 Cb -0.10 -0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.88 2j6m s LYS 852 CO 0.17 0.06 0.85 0.42 -0.92 0.00 0.00 175.35 175.93 2j6m s ILE 853 N -0.99 4.78 0.06 2.17 1.01 -0.92 0.02 121.20 127.33 2j6m s ILE 853 Ca -0.07 1.80 0.01 0.00 0.00 0.00 0.00 60.65 62.39 2j6m s ILE 853 Cb -0.07 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 2j6m s ILE 853 CO 0.00 0.28 0.02 1.07 0.00 0.00 0.00 174.94 176.31 2j6m n THR 854 N 3.29 0.00 -2.50 2.92 5.66 0.14 -0.56 114.28 123.23 2j6m n THR 854 Ca 0.01 -0.34 -0.02 0.00 -3.05 0.00 0.00 64.05 60.65 2j6m n THR 854 Cb 0.50 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.42 2j6m n THR 854 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2j6m n ASP 855 N -2.11 -6.77 -1.59 1.09 -0.08 -1.26 -4.79 116.55 101.04 2j6m n ASP 855 Ca -0.01 0.90 -0.00 0.00 -1.51 0.00 0.00 54.79 54.17 2j6m n ASP 855 Cb 0.09 -4.46 0.29 0.00 2.34 0.00 0.00 41.12 39.38 2j6m n ASP 855 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2j6m n PHE 856 N 0.25 1.85 0.12 -0.67 3.72 -1.26 -4.64 117.46 116.83 2j6m n PHE 856 Ca 0.03 -1.11 0.01 0.00 -0.05 0.00 0.00 57.45 56.33 2j6m n PHE 856 Cb 0.12 -0.55 0.06 0.00 -0.94 0.00 0.00 39.48 38.18 2j6m n PHE 856 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j6m n GLY 857 N -0.28 -0.37 0.00 1.37 0.00 -1.26 -2.41 105.19 102.24 2j6m n GLY 857 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2j6m n GLY 857 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j6m n LEU 858 N -1.28 0.20 -4.44 0.99 4.77 -1.26 -4.95 117.00 111.03 2j6m n LEU 858 Ca 0.01 -0.20 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 2j6m n LEU 858 Cb 0.02 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.38 2j6m n LEU 858 CO 0.02 0.05 0.48 0.00 -1.33 0.00 0.00 177.39 176.61 2j6m n ALA 859 N -0.04 -3.26 -3.63 -1.18 0.00 -1.01 -4.59 120.51 106.80 2j6m n ALA 859 Ca 0.00 -1.30 -0.10 0.00 0.00 0.00 0.00 53.44 52.04 2j6m n ALA 859 Cb 0.36 -1.96 -0.09 0.00 0.00 0.00 0.00 19.45 17.75 2j6m n ALA 859 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2j6m s LYS 860 N -4.41 0.52 0.31 0.00 -0.14 0.51 -4.97 119.74 111.55 2j6m s LYS 860 Ca 0.69 0.90 -0.17 0.00 -1.36 0.00 0.00 55.97 56.03 2j6m s LYS 860 Cb -0.25 0.08 -0.09 0.00 -1.68 0.00 0.00 37.83 35.88 2j6m s LYS 860 CO 0.66 -0.14 0.76 -1.17 -0.76 0.00 0.00 175.35 174.69 2j6m s LEU 861 N 1.27 4.11 -0.29 3.17 0.20 -1.26 -0.84 118.68 125.03 2j6m s LEU 861 Ca -0.08 1.36 -0.06 0.00 0.69 0.00 0.00 54.13 56.03 2j6m s LEU 861 Cb -0.07 -4.03 0.01 0.00 -0.43 0.00 0.00 46.19 41.67 2j6m s LEU 861 CO -0.12 -0.17 0.07 -0.76 -0.29 0.00 0.00 176.35 175.07 2j6m s LEU 862 N -2.80 3.83 0.00 -0.68 1.43 -0.81 -4.94 118.68 114.72 2j6m s LEU 862 Ca 0.53 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2j6m s LEU 862 Cb -0.11 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.28 2j6m s LEU 862 CO 0.18 -0.20 0.24 0.61 0.23 0.00 0.00 176.35 177.41 2j6m n GLY 863 N 4.84 2.78 2.16 -3.19 0.00 -1.26 -4.65 105.19 105.87 2j6m n GLY 863 Ca -0.14 -2.23 -0.00 0.00 0.00 0.00 0.00 46.02 43.64 2j6m n GLY 863 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j6m n ALA 864 N -2.42 -0.77 -2.37 4.61 0.00 -1.26 -0.60 120.51 117.70 2j6m n ALA 864 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2j6m n ALA 864 Cb 0.33 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 2j6m n ALA 864 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2j6m n GLU 865 N -2.17 -2.22 -1.92 0.00 1.02 -1.26 -4.96 120.64 109.12 2j6m n GLU 865 Ca -0.00 0.56 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 2j6m n GLU 865 Cb 0.39 -5.12 0.02 0.00 -0.02 0.00 0.00 31.44 26.71 2j6m n GLU 865 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2j6m s GLU 866 N -4.89 3.20 -0.14 3.49 -6.30 0.23 -5.04 118.70 109.25 2j6m s GLU 866 Ca 0.00 1.16 -0.10 0.00 -2.50 0.00 0.00 54.97 53.53 2j6m s GLU 866 Cb 0.00 -2.02 -0.06 0.00 0.00 0.00 0.00 34.13 32.05 2j6m s GLU 866 CO 0.00 -0.90 -0.23 1.63 0.02 0.00 0.00 175.26 175.78 2j6m n LYS 867 N -2.30 0.36 -3.49 4.30 4.76 -1.26 -4.76 118.16 115.77 2j6m n LYS 867 Ca 0.09 0.15 -0.38 0.00 -2.87 0.00 0.00 58.31 55.30 2j6m n LYS 867 Cb 0.53 -1.12 -0.09 0.00 -1.84 0.00 0.00 35.03 32.52 2j6m n LYS 867 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2j6m s GLU 868 N -2.41 4.09 -0.27 1.97 -1.05 -1.26 -4.66 118.70 115.12 2j6m s GLU 868 Ca -0.23 -0.02 -0.24 0.00 -0.15 0.00 0.00 54.97 54.34 2j6m s GLU 868 Cb 0.07 -3.57 -0.00 0.00 -0.44 0.00 0.00 34.13 30.19 2j6m s GLU 868 CO 0.30 -0.07 0.79 -0.47 0.95 0.00 0.00 175.26 176.77 2j6m s TYR 869 N 1.42 3.27 -0.21 4.83 5.04 0.09 -4.81 117.35 126.98 2j6m s TYR 869 Ca 0.14 0.99 -0.19 0.00 -2.44 0.00 0.00 57.07 55.56 2j6m s TYR 869 Cb -0.15 -3.09 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 2j6m s TYR 869 CO 0.07 -0.45 0.54 -1.01 -1.34 0.00 0.00 175.55 173.36 2j6m s HIS 870 N 2.85 3.36 0.44 4.97 3.76 -1.26 -2.31 115.29 127.10 2j6m s HIS 870 Ca 0.33 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 2j6m s HIS 870 Cb -0.15 -2.71 -0.00 0.00 1.11 0.00 0.00 32.58 30.84 2j6m s HIS 870 CO 0.09 -0.14 0.01 0.00 -0.85 0.00 0.00 174.74 173.85 2j6m n ALA 871 N 4.93 0.38 -1.61 -1.40 0.00 -1.24 -5.09 120.51 116.48 2j6m n ALA 871 Ca -0.04 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.44 2j6m n ALA 871 Cb 0.50 1.08 0.00 0.00 0.00 0.00 0.00 19.45 21.03 2j6m n ALA 871 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2j6m n GLU 872 N -1.08 3.29 0.00 0.00 -0.58 -1.26 -5.03 120.64 115.98 2j6m n GLU 872 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 2j6m n GLU 872 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 2j6m n GLU 872 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2j6m n GLY 873 N 5.00 1.86 0.00 0.62 0.00 -1.26 -5.07 105.19 106.35 2j6m n GLY 873 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2j6m n GLY 873 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j6m n GLY 874 N 5.00 0.34 3.23 -0.02 0.00 -1.26 -4.91 105.19 107.57 2j6m n GLY 874 Ca 0.00 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 2j6m n GLY 874 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j6m s LYS 875 N 0.00 3.07 -0.04 1.61 0.00 -1.26 -5.10 119.74 118.02 2j6m s LYS 875 Ca 0.00 -0.82 0.04 0.00 0.00 0.00 0.00 55.97 55.19 2j6m s LYS 875 Cb 0.00 -2.92 -0.00 0.00 0.00 0.00 0.00 37.83 34.91 2j6m s LYS 875 CO 0.00 -0.29 -0.16 0.14 0.00 0.00 0.00 175.35 175.04 2j6m s VAL 876 N 1.38 1.33 -1.16 1.79 -7.23 -1.26 -5.07 120.40 110.17 2j6m s VAL 876 Ca 0.03 -0.66 -0.21 0.00 -1.81 0.00 0.00 61.98 59.33 2j6m s VAL 876 Cb -0.15 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 35.64 2j6m s VAL 876 CO -0.06 0.39 1.79 -2.16 -0.31 0.00 0.00 175.10 174.75 2j6m s PRO 877 N 0.08 3.20 0.19 4.82 0.04 -1.26 -4.85 135.00 137.23 2j6m s PRO 877 Ca -0.04 -1.34 -0.18 0.00 0.04 0.00 0.00 61.00 59.48 2j6m s PRO 877 Cb -0.11 -5.34 0.15 0.00 0.04 0.00 0.00 34.50 29.24 2j6m s PRO 877 CO 0.02 -3.02 1.61 0.82 0.04 0.00 0.00 177.00 176.47 2j6m h ILE 878 N 6.20 0.28 -0.11 0.56 2.04 -1.97 -1.88 117.51 122.63 2j6m h ILE 878 Ca 0.28 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.17 2j6m h ILE 878 Cb 0.93 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2j6m h ILE 878 CO 1.34 0.00 0.33 0.11 0.00 0.00 0.00 178.15 179.93 2j6m h LYS 879 N -0.12 0.00 -0.06 2.37 1.57 -1.95 0.97 116.57 119.34 2j6m h LYS 879 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2j6m h LYS 879 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2j6m h LYS 879 CO -0.62 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.17 2j6m n TRP 880 N -3.15 0.06 -3.26 -1.35 8.01 -0.72 -4.99 117.44 112.03 2j6m n TRP 880 Ca 0.00 -0.05 -0.35 0.00 -1.31 0.00 0.00 57.50 55.80 2j6m n TRP 880 Cb 0.42 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.66 2j6m n TRP 880 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2j6m s MET 881 N -1.31 4.05 1.00 -0.99 -1.94 0.33 -3.79 119.30 116.66 2j6m s MET 881 Ca 0.20 0.61 -0.12 0.00 -1.71 0.00 0.00 55.69 54.67 2j6m s MET 881 Cb 0.14 -2.85 0.19 0.00 2.01 0.00 0.00 34.83 34.32 2j6m s MET 881 CO 0.20 0.41 1.08 0.00 -0.01 0.00 0.00 175.02 176.71 2j6m s ALA 882 N -1.55 0.82 0.12 3.03 0.00 -1.26 -4.87 121.76 118.04 2j6m s ALA 882 Ca 0.41 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.05 2j6m s ALA 882 Cb -0.15 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2j6m s ALA 882 CO 0.20 -2.93 1.62 1.25 0.00 0.00 0.00 175.76 175.89 2j6m h LEU 883 N -1.97 0.54 -0.46 0.00 5.85 -1.96 -2.71 115.31 114.61 2j6m h LEU 883 Ca -0.54 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 57.98 2j6m h LEU 883 Cb 1.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 2j6m h LEU 883 CO 0.54 0.63 0.26 -0.33 -0.34 0.00 0.00 178.44 179.20 2j6m h GLU 884 N 0.43 0.50 -0.15 1.25 3.07 -1.92 0.63 114.58 118.38 2j6m h GLU 884 Ca 0.11 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.99 2j6m h GLU 884 Cb 0.30 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2j6m h GLU 884 CO 0.00 0.33 0.18 0.77 -1.40 0.00 0.00 179.01 178.89 2j6m h SER 885 N 0.51 0.00 0.15 1.42 0.02 -1.26 0.21 113.55 114.60 2j6m h SER 885 Ca 0.19 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.78 2j6m h SER 885 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2j6m h SER 885 CO -0.10 0.00 -1.91 0.40 -1.14 0.00 0.00 176.83 174.08 2j6m h ILE 886 N 0.00 0.73 0.10 3.27 2.04 -0.64 -3.23 117.51 119.78 2j6m h ILE 886 Ca 0.07 -2.40 -0.33 0.00 1.00 0.00 0.00 64.86 63.20 2j6m h ILE 886 Cb 0.44 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 2j6m h ILE 886 CO -0.00 0.89 -1.80 -0.07 0.00 0.00 0.00 178.15 177.17 2j6m h LEU 887 N 0.08 0.33 -1.59 1.44 3.38 -0.62 -3.41 115.31 114.93 2j6m h LEU 887 Ca -0.40 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 56.72 2j6m h LEU 887 Cb 2.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2j6m h LEU 887 CO 0.12 1.77 0.00 1.41 0.09 0.00 0.00 178.44 181.83 2j6m n HIS 888 N -3.72 0.06 -2.04 1.13 8.25 0.60 -4.97 115.22 114.53 2j6m n HIS 888 Ca -0.31 -0.08 -0.16 0.00 -0.26 0.00 0.00 57.72 56.90 2j6m n HIS 888 Cb 0.96 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.03 2j6m n HIS 888 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2j6m n ARG 889 N 0.43 -1.73 -2.98 -0.41 1.74 -0.46 -4.90 116.66 108.36 2j6m n ARG 889 Ca 0.05 0.86 -0.40 0.00 -0.77 0.00 0.00 57.85 57.59 2j6m n ARG 889 Cb 0.24 -5.35 -0.05 0.00 -1.02 0.00 0.00 32.46 26.27 2j6m n ARG 889 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2j6m s ILE 890 N -2.63 4.66 0.12 0.55 1.01 -1.18 -3.65 121.20 120.07 2j6m s ILE 890 Ca 0.00 1.65 0.06 0.00 0.00 0.00 0.00 60.65 62.37 2j6m s ILE 890 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2j6m s ILE 890 CO 0.00 0.39 -0.15 -0.31 0.00 0.00 0.00 174.94 174.87 2j6m s TYR 891 N -0.26 1.47 0.16 3.97 2.02 -0.98 -2.28 117.35 121.45 2j6m s TYR 891 Ca 0.38 -0.51 -0.24 0.00 -0.37 0.00 0.00 57.07 56.33 2j6m s TYR 891 Cb -0.21 -0.78 0.07 0.00 -0.40 0.00 0.00 41.96 40.65 2j6m s TYR 891 CO 0.24 0.16 1.02 -0.08 -1.57 0.00 0.00 175.55 175.32 2j6m s THR 892 N -1.85 0.00 0.28 -0.71 -1.32 -1.26 -0.73 115.64 110.05 2j6m s THR 892 Ca 0.07 -0.60 -0.03 0.00 -1.21 0.00 0.00 61.69 59.92 2j6m s THR 892 Cb -0.07 -2.46 0.26 0.00 -1.51 0.00 0.00 72.50 68.73 2j6m s THR 892 CO 0.03 0.00 1.96 0.45 -2.21 0.00 0.00 174.62 174.85 2j6m h HIS 893 N 2.00 1.11 0.00 9.09 3.86 -1.96 -1.46 115.15 127.79 2j6m h HIS 893 Ca -0.26 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2j6m h HIS 893 Cb 1.22 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2j6m h HIS 893 CO 0.88 0.70 0.00 1.96 0.86 0.00 0.00 177.93 182.33 2j6m h GLN 894 N 1.19 0.00 0.00 2.45 1.08 -1.95 -0.21 115.11 117.67 2j6m h GLN 894 Ca 0.32 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.50 2j6m h GLN 894 Cb -0.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2j6m h GLN 894 CO -0.07 0.00 -0.81 0.66 -0.95 0.00 0.00 178.83 177.66 2j6m h SER 895 N 0.00 0.00 -0.18 1.46 4.64 -1.64 -3.17 113.55 114.66 2j6m h SER 895 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2j6m h SER 895 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2j6m h SER 895 CO 0.00 0.10 -0.41 0.44 -0.87 0.00 0.00 176.83 176.09 2j6m h ASP 896 N 0.00 0.78 -0.35 4.97 3.45 -0.69 -2.47 116.42 122.12 2j6m h ASP 896 Ca -0.02 -0.36 0.06 0.00 0.43 0.00 0.00 57.03 57.15 2j6m h ASP 896 Cb 1.10 -0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 39.59 2j6m h ASP 896 CO 0.01 1.09 -0.03 0.58 -1.57 0.00 0.00 179.24 179.32 2j6m h VAL 897 N 0.59 0.71 0.04 -1.35 2.07 -1.40 0.67 116.25 117.58 2j6m h VAL 897 Ca 0.05 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2j6m h VAL 897 Cb 0.96 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2j6m h VAL 897 CO 0.09 0.01 -0.24 -0.25 0.02 0.00 0.00 177.57 177.20 2j6m h TRP 898 N 0.06 -0.64 -0.53 1.57 2.91 -1.51 0.24 115.95 118.06 2j6m h TRP 898 Ca 0.17 0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.35 2j6m h TRP 898 Cb 0.24 0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 2j6m h TRP 898 CO -0.27 -0.33 0.37 0.77 -1.03 0.00 0.00 178.44 177.95 2j6m h SER 899 N -0.40 0.07 -0.41 2.65 0.02 -0.88 0.45 113.55 115.06 2j6m h SER 899 Ca 0.05 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 2j6m h SER 899 Cb 0.46 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2j6m h SER 899 CO -0.19 0.04 -0.26 0.22 -1.14 0.00 0.00 176.83 175.50 2j6m h TYR 900 N 0.08 1.05 -0.92 3.45 5.03 0.15 -0.49 116.97 125.31 2j6m h TYR 900 Ca 0.25 -0.28 0.06 0.00 2.58 0.00 0.00 58.73 61.35 2j6m h TYR 900 Cb 0.89 -0.23 -0.06 0.00 1.55 0.00 0.00 36.73 38.88 2j6m h TYR 900 CO -0.00 1.08 0.60 0.78 -1.32 0.00 0.00 178.16 179.29 2j6m h GLY 901 N 0.72 1.34 1.86 1.82 0.00 0.30 0.18 103.07 109.29 2j6m h GLY 901 Ca 0.08 -0.42 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 2j6m h GLY 901 CO 0.07 0.30 -0.84 -2.08 0.00 0.00 0.00 176.54 173.99 2j6m h VAL 902 N 1.05 1.52 -0.44 4.60 2.07 -1.01 -2.51 116.25 121.52 2j6m h VAL 902 Ca 0.39 -2.64 -0.13 0.00 0.82 0.00 0.00 66.70 65.14 2j6m h VAL 902 Cb 0.19 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2j6m h VAL 902 CO -0.15 0.77 -0.25 0.74 0.02 0.00 0.00 177.57 178.70 2j6m h THR 903 N 0.07 1.27 -0.14 2.57 2.02 0.23 -0.50 112.91 118.43 2j6m h THR 903 Ca -0.03 -1.41 -0.10 0.00 0.77 0.00 0.00 66.41 65.64 2j6m h THR 903 Cb 1.46 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2j6m h THR 903 CO 0.12 0.48 -0.35 0.58 0.37 0.00 0.00 175.52 176.72 2j6m h VAL 904 N 0.79 1.29 -0.40 3.16 2.07 -0.69 -2.18 116.25 120.29 2j6m h VAL 904 Ca 0.10 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 2j6m h VAL 904 Cb 0.82 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2j6m h VAL 904 CO 0.07 0.42 -0.01 -0.25 0.02 0.00 0.00 177.57 177.82 2j6m h TRP 905 N 0.24 0.77 0.36 1.57 7.01 -0.98 -1.21 115.95 123.71 2j6m h TRP 905 Ca 0.03 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 2j6m h TRP 905 Cb 0.74 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 2j6m h TRP 905 CO 0.01 0.79 -0.43 0.93 -2.79 0.00 0.00 178.44 176.95 2j6m h GLU 906 N 0.53 -0.80 -0.29 2.65 5.08 -0.69 -1.14 114.58 119.93 2j6m h GLU 906 Ca 0.11 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2j6m h GLU 906 Cb 0.49 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2j6m h GLU 906 CO 0.02 -0.53 0.19 -0.07 -1.00 0.00 0.00 179.01 177.62 2j6m h LEU 907 N -0.83 0.24 -0.28 1.33 3.38 -1.34 0.72 115.31 118.53 2j6m h LEU 907 Ca -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2j6m h LEU 907 Cb 0.76 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2j6m h LEU 907 CO -0.11 0.17 -0.14 -0.03 0.09 0.00 0.00 178.44 178.42 2j6m h MET 908 N 0.28 0.00 -0.51 1.13 4.05 -0.69 -2.88 114.93 116.31 2j6m h MET 908 Ca 0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2j6m h MET 908 Cb 0.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2j6m h MET 908 CO -0.02 0.14 0.00 0.25 0.23 0.00 0.00 176.91 177.50 2j6m n THR 909 N -3.15 2.26 -2.34 -0.77 -2.24 -0.48 -4.71 114.28 102.85 2j6m n THR 909 Ca 0.03 -1.44 -0.20 0.00 -2.27 0.00 0.00 64.05 60.17 2j6m n THR 909 Cb 0.54 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 2j6m n THR 909 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2j6m n PHE 910 N 0.49 -0.91 0.00 4.78 3.72 -0.90 -3.42 117.46 121.23 2j6m n PHE 910 Ca 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 2j6m n PHE 910 Cb 0.98 -3.88 0.00 0.00 -0.94 0.00 0.00 39.48 35.64 2j6m n PHE 910 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j6m n GLY 911 N -0.98 1.99 3.77 1.37 0.00 0.17 -3.54 105.19 107.97 2j6m n GLY 911 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 2j6m n GLY 911 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2j6m s SER 912 N -2.00 2.56 -0.24 1.61 0.01 -1.22 -4.96 113.70 109.46 2j6m s SER 912 Ca 0.00 0.63 -0.08 0.00 1.31 0.00 0.00 55.95 57.81 2j6m s SER 912 Cb 0.00 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 2j6m s SER 912 CO 0.00 -3.11 0.09 -0.54 0.41 0.00 0.00 173.24 170.09 2j6m s LYS 913 N -5.52 3.78 0.38 12.44 1.02 -1.26 -4.86 119.74 125.73 2j6m s LYS 913 Ca 0.69 -0.42 -0.27 0.00 0.02 0.00 0.00 55.97 55.99 2j6m s LYS 913 Cb -0.10 -3.35 -0.10 0.00 -0.52 0.00 0.00 37.83 33.77 2j6m s LYS 913 CO 0.54 -0.07 1.36 -1.25 -0.92 0.00 0.00 175.35 175.01 2j6m s PRO 914 N 1.33 4.09 -1.29 -1.68 0.04 -1.26 -2.00 135.00 134.24 2j6m s PRO 914 Ca 0.05 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2j6m s PRO 914 Cb -0.15 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2j6m s PRO 914 CO 0.04 -0.44 0.00 0.66 0.04 0.00 0.00 177.00 177.30 2j6m n TYR 915 N 0.38 -0.33 -0.97 0.56 4.01 -1.26 -4.86 117.16 114.70 2j6m n TYR 915 Ca 0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.43 2j6m n TYR 915 Cb 0.42 -2.49 0.03 0.00 -0.31 0.00 0.00 39.34 36.99 2j6m n TYR 915 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2j6m n ASP 916 N -0.43 -4.69 0.00 7.72 4.64 -0.84 0.22 116.55 123.17 2j6m n ASP 916 Ca -0.12 0.31 0.00 0.00 -1.38 0.00 0.00 54.79 53.60 2j6m n ASP 916 Cb 0.43 -0.71 0.00 0.00 -1.04 0.00 0.00 41.12 39.80 2j6m n ASP 916 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2j6m n GLY 917 N 2.83 2.30 3.02 0.27 0.00 -1.26 -4.99 105.19 107.35 2j6m n GLY 917 Ca 0.01 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2j6m n GLY 917 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2j6m n ILE 918 N 0.00 0.00 -4.52 -0.61 -0.00 0.13 -5.00 119.36 109.36 2j6m n ILE 918 Ca 0.00 -0.21 -0.21 0.00 -0.00 0.00 0.00 62.75 62.34 2j6m n ILE 918 Cb 0.00 -0.03 -0.15 0.00 -0.00 0.00 0.00 39.64 39.46 2j6m n ILE 918 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2j6m s PRO 919 N -2.08 1.00 0.57 0.38 0.04 -1.26 -5.04 135.00 128.61 2j6m s PRO 919 Ca 0.39 -0.42 0.28 0.00 0.04 0.00 0.00 61.00 61.29 2j6m s PRO 919 Cb -0.02 -0.96 1.50 0.00 0.04 0.00 0.00 34.50 35.06 2j6m s PRO 919 CO 0.73 0.24 1.97 0.00 0.04 0.00 0.00 177.00 179.97 2j6m h ALA 920 N 5.94 2.22 -0.83 8.56 0.00 -1.97 3.54 119.26 136.72 2j6m h ALA 920 Ca -0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2j6m h ALA 920 Cb 1.17 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2j6m h ALA 920 CO 0.49 -0.62 0.40 0.77 0.00 0.00 0.00 179.25 180.29 2j6m h SER 921 N 0.00 1.08 0.43 0.00 0.02 -2.04 -2.81 113.55 110.24 2j6m h SER 921 Ca 0.21 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2j6m h SER 921 Cb 1.00 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2j6m h SER 921 CO -0.00 0.90 -0.23 -0.33 -1.14 0.00 0.00 176.83 176.03 2j6m h GLU 922 N 1.18 0.00 0.26 3.45 5.08 0.62 -3.37 114.58 121.81 2j6m h GLU 922 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2j6m h GLU 922 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2j6m h GLU 922 CO -0.04 0.23 -0.21 0.82 -1.00 0.00 0.00 179.01 178.81 2j6m h ILE 923 N 0.00 0.00 -1.48 3.13 1.08 -1.44 -2.28 117.51 116.51 2j6m h ILE 923 Ca -0.00 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 64.91 2j6m h ILE 923 Cb 0.51 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.19 2j6m h ILE 923 CO 0.03 0.00 1.05 -0.24 -0.69 0.00 0.00 178.15 178.30 2j6m n SER 924 N -3.61 0.03 0.00 1.72 2.88 -1.26 -2.13 113.62 111.26 2j6m n SER 924 Ca -0.06 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2j6m n SER 924 Cb 0.20 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2j6m n SER 924 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2j6m n SER 925 N -3.65 0.00 0.00 -3.46 7.64 -0.86 -1.50 113.62 111.78 2j6m n SER 925 Ca 0.35 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2j6m n SER 925 Cb 1.54 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 64.60 2j6m n SER 925 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2j6m n ILE 926 N -0.92 0.00 -0.23 0.44 5.41 -1.03 0.36 119.36 123.40 2j6m n ILE 926 Ca 0.00 0.00 0.20 0.00 1.00 0.00 0.00 62.75 63.95 2j6m n ILE 926 Cb 0.00 0.00 0.34 0.00 -0.71 0.00 0.00 39.64 39.27 2j6m n ILE 926 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2j6m n LEU 927 N -0.01 0.12 -0.15 1.39 4.32 -0.90 0.39 117.00 122.16 2j6m n LEU 927 Ca 0.00 0.75 -0.10 0.00 -0.02 0.00 0.00 56.01 56.64 2j6m n LEU 927 Cb 0.00 -0.37 -0.01 0.00 -1.62 0.00 0.00 43.42 41.42 2j6m n LEU 927 CO 0.00 -0.82 0.79 -0.33 -1.22 0.00 0.00 177.39 175.81 2j6m h GLU 928 N 0.00 0.74 -0.06 3.23 5.08 0.75 -2.90 114.58 121.42 2j6m h GLU 928 Ca 0.46 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2j6m h GLU 928 Cb 1.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2j6m h GLU 928 CO -0.28 0.82 -0.14 0.87 -1.00 0.00 0.00 179.01 179.29 2j6m h LYS 929 N 0.58 0.09 0.00 2.33 1.57 1.18 -3.46 116.57 118.86 2j6m h LYS 929 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2j6m h LYS 929 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2j6m h LYS 929 CO 0.02 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 2j6m n GLY 930 N -1.03 0.80 3.77 3.86 0.00 -0.95 -5.09 105.19 106.54 2j6m n GLY 930 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2j6m n GLY 930 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j6m s GLU 931 N 0.00 4.03 0.26 1.61 2.12 -1.25 -4.98 118.70 120.50 2j6m s GLU 931 Ca 0.00 1.92 0.02 0.00 0.36 0.00 0.00 54.97 57.28 2j6m s GLU 931 Cb 0.00 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2j6m s GLU 931 CO 0.00 -0.36 0.17 1.03 -0.54 0.00 0.00 175.26 175.56 2j6m s ARG 932 N -2.27 1.44 0.57 4.30 1.81 -1.26 -4.07 118.95 119.48 2j6m s ARG 932 Ca 0.57 -1.80 -0.20 0.00 -1.72 0.00 0.00 55.73 52.58 2j6m s ARG 932 Cb -0.33 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 2j6m s ARG 932 CO 0.41 -0.47 1.26 -0.51 -0.68 0.00 0.00 175.30 175.32 2j6m s LEU 933 N -3.27 3.75 1.07 2.53 1.43 -1.26 -5.00 118.68 117.92 2j6m s LEU 933 Ca 0.39 2.53 -0.14 0.00 -1.03 0.00 0.00 54.13 55.88 2j6m s LEU 933 Cb 0.05 -4.46 0.22 0.00 0.03 0.00 0.00 46.19 42.03 2j6m s LEU 933 CO 0.18 -1.58 1.10 -2.16 0.23 0.00 0.00 176.35 174.11 2j6m s PRO 934 N -3.14 -0.15 -0.21 1.29 0.04 -1.26 -5.00 135.00 126.57 2j6m s PRO 934 Ca 0.75 0.33 -0.24 0.00 0.04 0.00 0.00 61.00 61.88 2j6m s PRO 934 Cb -0.34 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 2j6m s PRO 934 CO 0.39 -3.08 0.79 -1.14 0.04 0.00 0.00 177.00 173.99 2j6m s GLN 935 N -5.08 4.22 0.32 4.56 0.74 -1.26 -5.02 119.66 118.13 2j6m s GLN 935 Ca 0.67 0.89 -0.29 0.00 0.05 0.00 0.00 55.36 56.69 2j6m s GLN 935 Cb -0.16 -3.61 -0.10 0.00 1.10 0.00 0.00 33.01 30.23 2j6m s GLN 935 CO 0.57 -0.41 1.39 -2.14 -0.55 0.00 0.00 175.29 174.15 2j6m s PRO 936 N 2.47 4.27 0.19 1.67 0.02 -1.26 -4.91 135.00 137.44 2j6m s PRO 936 Ca 0.34 2.33 -0.19 0.00 0.02 0.00 0.00 61.00 63.50 2j6m s PRO 936 Cb -0.16 -3.06 0.13 0.00 0.02 0.00 0.00 34.50 31.44 2j6m s PRO 936 CO 0.09 -0.34 1.39 -2.30 -0.33 0.00 0.00 177.00 175.51 2j6m n PRO 937 N 1.22 -0.26 0.00 5.54 -0.01 -1.26 0.42 135.00 140.64 2j6m n PRO 937 Ca 0.02 1.37 0.08 0.00 -0.01 0.00 0.00 63.50 64.96 2j6m n PRO 937 Cb 0.41 -2.03 0.43 0.00 -0.01 0.00 0.00 33.50 32.30 2j6m n PRO 937 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 175.50 175.93 2j6m n ILE 938 N -5.26 0.21 -2.98 4.25 -5.35 -1.26 -4.81 119.36 104.16 2j6m n ILE 938 Ca 0.07 0.05 -0.40 0.00 -0.27 0.00 0.00 62.75 62.20 2j6m n ILE 938 Cb 0.32 -0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 37.37 2j6m n ILE 938 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j6m s THR 940 N 1.40 2.82 0.34 0.00 -4.23 -1.18 -4.85 115.64 109.93 2j6m s THR 940 Ca 0.38 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 61.23 2j6m s THR 940 Cb -0.17 -3.03 0.11 0.00 1.34 0.00 0.00 72.50 70.75 2j6m s THR 940 CO 0.16 -0.35 1.82 -0.29 -0.54 0.00 0.00 174.62 175.42 2j6m h ILE 941 N -1.16 1.23 -0.00 2.99 2.10 -1.97 -1.92 117.51 118.78 2j6m h ILE 941 Ca -0.48 -1.09 0.03 0.00 1.08 0.00 0.00 64.86 64.40 2j6m h ILE 941 Cb 1.28 1.38 -0.04 0.00 -1.09 0.00 0.00 36.82 38.35 2j6m h ILE 941 CO 0.60 0.33 -0.19 0.44 -1.08 0.00 0.00 178.15 178.26 2j6m h ASP 942 N 0.25 -0.55 -0.14 2.19 5.19 -1.92 0.39 116.42 121.83 2j6m h ASP 942 Ca 0.04 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2j6m h ASP 942 Cb 0.55 0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 2j6m h ASP 942 CO 0.04 -0.25 0.02 0.58 -3.12 0.00 0.00 179.24 176.51 2j6m h VAL 943 N -0.31 1.22 -0.09 -1.35 2.07 -1.80 -2.58 116.25 113.42 2j6m h VAL 943 Ca 0.06 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2j6m h VAL 943 Cb 0.38 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2j6m h VAL 943 CO -0.18 0.21 -0.02 0.22 0.02 0.00 0.00 177.57 177.82 2j6m h TYR 944 N 0.01 0.13 -0.28 1.57 -0.00 -1.15 -0.43 116.97 116.81 2j6m h TYR 944 Ca 0.04 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.72 2j6m h TYR 944 Cb 0.30 -0.04 -0.02 0.00 -0.00 0.00 0.00 36.73 36.97 2j6m h TYR 944 CO 0.02 0.16 -0.06 1.98 -0.00 0.00 0.00 178.16 180.26 2j6m h MET 945 N 0.13 0.44 -0.00 1.82 4.05 0.12 -0.57 114.93 120.91 2j6m h MET 945 Ca 0.03 -0.10 -0.18 0.00 -0.28 0.00 0.00 59.70 59.17 2j6m h MET 945 Cb 0.13 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 2j6m h MET 945 CO 0.00 0.51 -0.82 0.82 0.23 0.00 0.00 176.91 177.66 2j6m h ILE 946 N 0.42 1.52 -0.27 1.77 2.04 -0.71 -2.67 117.51 119.61 2j6m h ILE 946 Ca 0.09 -2.62 -0.05 0.00 1.00 0.00 0.00 64.86 63.28 2j6m h ILE 946 Cb 0.37 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 2j6m h ILE 946 CO 0.02 0.76 -0.03 0.24 0.00 0.00 0.00 178.15 179.13 2j6m h MET 947 N 0.06 0.50 -0.63 2.37 2.86 -0.81 -2.89 114.93 116.39 2j6m h MET 947 Ca -0.02 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2j6m h MET 947 Cb 1.43 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 33.02 2j6m h MET 947 CO 0.12 0.69 0.42 0.28 1.06 0.00 0.00 176.91 179.47 2j6m h VAL 948 N 0.27 1.15 -0.21 -2.22 2.07 -1.10 -2.22 116.25 113.98 2j6m h VAL 948 Ca 0.07 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2j6m h VAL 948 Cb 0.48 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2j6m h VAL 948 CO 0.02 0.15 -0.15 0.11 0.02 0.00 0.00 177.57 177.72 2j6m h LYS 949 N 0.84 0.35 0.00 1.57 1.57 -1.27 0.39 116.57 120.02 2j6m h LYS 949 Ca 0.23 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2j6m h LYS 949 Cb -0.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2j6m h LYS 949 CO -0.05 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 2j6m n TRP 951 N -1.24 0.25 -3.30 0.00 8.01 0.12 -3.47 117.44 117.81 2j6m n TRP 951 Ca 0.09 -1.47 -0.34 0.00 -1.31 0.00 0.00 57.50 54.47 2j6m n TRP 951 Cb 0.13 -0.30 -0.06 0.00 -2.01 0.00 0.00 31.31 29.07 2j6m n TRP 951 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2j6m s MET 952 N -3.21 3.97 0.06 -0.99 -1.94 -1.13 -5.00 119.30 111.05 2j6m s MET 952 Ca 0.39 0.51 -0.17 0.00 -1.71 0.00 0.00 55.69 54.70 2j6m s MET 952 Cb 0.37 -2.75 -0.07 0.00 2.01 0.00 0.00 34.83 34.39 2j6m s MET 952 CO -0.04 0.36 1.28 0.82 -0.01 0.00 0.00 175.02 177.43 2j6m h ILE 953 N 2.40 0.00 -1.67 2.53 1.08 -1.95 -3.36 117.51 116.55 2j6m h ILE 953 Ca -0.48 0.00 -0.50 0.00 -0.39 0.00 0.00 64.86 63.50 2j6m h ILE 953 Cb 1.18 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.94 2j6m h ILE 953 CO 0.67 0.00 1.60 -0.67 -0.69 0.00 0.00 178.15 179.06 2j6m n ASP 954 N -4.00 2.52 0.33 1.72 2.03 -1.26 -4.79 116.55 113.10 2j6m n ASP 954 Ca -0.04 -0.32 0.17 0.00 0.52 0.00 0.00 54.79 55.12 2j6m n ASP 954 Cb 0.20 -1.57 0.88 0.00 -0.72 0.00 0.00 41.12 39.91 2j6m n ASP 954 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j6m h ALA 955 N 18.34 1.29 -0.01 -1.67 0.00 -1.96 0.71 119.26 135.95 2j6m h ALA 955 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2j6m h ALA 955 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2j6m h ALA 955 CO 1.11 -0.29 -0.03 -0.25 0.00 0.00 0.00 179.25 179.79 2j6m n ASP 956 N -2.93 1.52 0.09 0.00 10.43 -1.26 -3.54 116.55 120.86 2j6m n ASP 956 Ca -0.02 -1.45 0.12 0.00 2.57 0.00 0.00 54.79 56.00 2j6m n ASP 956 Cb 0.33 0.02 0.01 0.00 1.84 0.00 0.00 41.12 43.33 2j6m n ASP 956 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2j6m n SER 957 N 0.13 0.77 -4.74 -2.24 7.64 0.24 -4.91 113.62 110.51 2j6m n SER 957 Ca 0.18 0.25 -0.30 0.00 1.01 0.00 0.00 58.87 60.00 2j6m n SER 957 Cb 0.37 0.51 0.12 0.00 -1.01 0.00 0.00 64.21 64.20 2j6m n SER 957 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2j6m s ARG 958 N -3.34 1.72 0.43 1.43 0.52 -1.23 -4.98 118.95 113.50 2j6m s ARG 958 Ca 0.00 1.01 -0.22 0.00 -0.52 0.00 0.00 55.73 56.01 2j6m s ARG 958 Cb 0.11 -1.85 -0.09 0.00 0.52 0.00 0.00 34.95 33.63 2j6m s ARG 958 CO 0.79 -1.98 1.01 -2.14 0.02 0.00 0.00 175.30 173.00 2j6m s PRO 959 N -4.91 4.09 0.47 3.54 0.02 -1.26 -5.03 135.00 131.92 2j6m s PRO 959 Ca 0.62 1.33 -0.17 0.00 0.02 0.00 0.00 61.00 62.80 2j6m s PRO 959 Cb -0.18 -2.30 -0.09 0.00 0.02 0.00 0.00 34.50 31.96 2j6m s PRO 959 CO 0.57 -0.18 0.94 0.15 -0.33 0.00 0.00 177.00 178.14 2j6m s LYS 960 N -2.92 4.01 0.61 5.54 -0.14 -1.26 -4.88 119.74 120.70 2j6m s LYS 960 Ca 0.62 0.93 0.31 0.00 -1.36 0.00 0.00 55.97 56.47 2j6m s LYS 960 Cb -0.16 -2.19 1.72 0.00 -1.68 0.00 0.00 37.83 35.51 2j6m s LYS 960 CO 0.20 -0.15 2.08 0.74 -0.76 0.00 0.00 175.35 177.46 2j6m h PHE 961 N 1.32 0.00 0.00 3.18 0.04 -1.95 0.12 116.94 119.65 2j6m h PHE 961 Ca -0.48 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.25 2j6m h PHE 961 Cb 1.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 2j6m h PHE 961 CO 0.63 0.00 -0.19 0.07 -0.60 0.00 0.00 178.31 178.22 2j6m h ARG 962 N 0.00 0.00 0.19 1.51 -0.00 -1.91 -2.31 114.38 111.86 2j6m h ARG 962 Ca 0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.71 2j6m h ARG 962 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.52 2j6m h ARG 962 CO -0.00 0.19 -1.74 0.93 -0.00 0.00 0.00 179.97 179.35 2j6m h GLU 963 N 0.00 0.41 -0.39 0.08 5.08 -1.17 -3.13 114.58 115.46 2j6m h GLU 963 Ca -0.00 -0.70 0.01 0.00 -1.00 0.00 0.00 59.36 57.67 2j6m h GLU 963 Cb 1.05 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 2j6m h GLU 963 CO 0.02 1.33 0.26 -0.07 -1.00 0.00 0.00 179.01 179.56 2j6m h LEU 964 N 0.11 0.43 0.45 1.33 3.38 -1.27 0.10 115.31 119.84 2j6m h LEU 964 Ca -0.34 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 2j6m h LEU 964 Cb 2.11 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2j6m h LEU 964 CO 0.18 0.30 -0.22 0.40 0.09 0.00 0.00 178.44 179.20 2j6m h ILE 965 N 0.50 0.51 -0.20 1.22 2.04 -1.48 -1.73 117.51 118.36 2j6m h ILE 965 Ca 0.15 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.70 2j6m h ILE 965 Cb -0.01 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2j6m h ILE 965 CO -0.03 0.06 -0.22 0.40 0.00 0.00 0.00 178.15 178.36 2j6m h ILE 966 N -0.83 0.44 -0.64 -0.67 2.04 -1.34 0.18 117.51 116.70 2j6m h ILE 966 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2j6m h ILE 966 Cb 0.56 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2j6m h ILE 966 CO 0.10 0.00 0.40 -0.33 0.00 0.00 0.00 178.15 178.32 2j6m h GLU 967 N -0.24 0.77 0.00 2.37 4.39 -0.84 -2.08 114.58 118.95 2j6m h GLU 967 Ca 0.12 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 2j6m h GLU 967 Cb 0.43 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2j6m h GLU 967 CO -0.34 0.51 -0.47 0.74 -1.16 0.00 0.00 179.01 178.29 2j6m h PHE 968 N 0.79 0.00 -0.16 4.33 0.04 -0.98 -2.69 116.94 118.27 2j6m h PHE 968 Ca 0.25 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.00 2j6m h PHE 968 Cb -0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2j6m h PHE 968 CO -0.04 0.47 0.04 0.77 -0.60 0.00 0.00 178.31 178.94 2j6m h SER 969 N 0.00 0.24 0.01 2.17 0.02 -0.45 0.29 113.55 115.83 2j6m h SER 969 Ca -0.00 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2j6m h SER 969 Cb 0.95 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 2j6m h SER 969 CO 0.06 0.41 -0.23 0.11 -1.14 0.00 0.00 176.83 176.04 2j6m h LYS 970 N 0.07 -0.36 -0.78 3.45 1.57 -1.27 -1.85 116.57 117.40 2j6m h LYS 970 Ca 0.05 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2j6m h LYS 970 Cb 0.26 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2j6m h LYS 970 CO 0.00 -0.24 0.52 0.52 -0.57 0.00 0.00 179.45 179.68 2j6m h MET 971 N -0.37 1.03 0.00 3.15 2.86 -1.27 -0.67 114.93 119.66 2j6m h MET 971 Ca 0.06 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2j6m h MET 971 Cb 0.45 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2j6m h MET 971 CO -0.20 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.45 2j6m h ALA 972 N 1.51 1.00 0.00 6.32 0.00 0.38 -1.47 119.26 127.00 2j6m h ALA 972 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2j6m h ALA 972 Cb -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2j6m h ALA 972 CO -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 179.25 178.98 2j6m h ARG 973 N 0.00 0.00 -1.75 0.00 2.47 -0.55 -3.32 114.38 111.23 2j6m h ARG 973 Ca 0.00 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.26 2j6m h ARG 973 Cb 0.23 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.18 2j6m h ARG 973 CO 0.00 0.21 -1.10 -3.47 0.56 0.00 0.00 179.97 176.17 2j6m n ASP 974 N -3.25 0.37 0.01 7.04 4.64 -0.60 -5.00 116.55 119.76 2j6m n ASP 974 Ca 0.01 -3.07 0.22 0.00 -1.38 0.00 0.00 54.79 50.58 2j6m n ASP 974 Cb 0.50 -0.30 0.62 0.00 -1.04 0.00 0.00 41.12 40.90 2j6m n ASP 974 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2j6m h PRO 975 N 3.09 0.00 0.00 -0.67 0.13 -1.54 -0.83 132.00 132.18 2j6m h PRO 975 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2j6m h PRO 975 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2j6m h PRO 975 CO 0.45 0.00 -0.27 1.04 -0.23 0.00 0.00 178.00 178.99 2j6m n GLN 976 N -3.44 0.24 0.10 0.86 1.13 -1.26 -2.06 117.38 112.94 2j6m n GLN 976 Ca 0.12 0.14 0.12 0.00 -1.94 0.00 0.00 57.00 55.44 2j6m n GLN 976 Cb 0.93 -1.72 0.12 0.00 0.11 0.00 0.00 30.24 29.68 2j6m n GLN 976 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2j6m h ARG 977 N 0.00 0.00 0.00 -1.09 2.43 -1.50 -3.37 114.38 110.85 2j6m h ARG 977 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2j6m h ARG 977 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2j6m h ARG 977 CO 0.00 0.00 -1.10 0.66 -1.51 0.00 0.00 179.97 178.02 2j6m n TYR 978 N -2.44 0.00 -4.16 2.20 4.02 -1.21 -4.98 117.16 110.60 2j6m n TYR 978 Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.73 2j6m n TYR 978 Cb 0.49 -0.15 -0.16 0.00 -0.02 0.00 0.00 39.34 39.50 2j6m n TYR 978 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2j6m s LEU 979 N -3.26 1.53 -0.37 7.72 1.43 -0.88 -3.12 118.68 121.75 2j6m s LEU 979 Ca -0.01 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 2j6m s LEU 979 Cb 0.07 -0.38 0.08 0.00 0.03 0.00 0.00 46.19 45.99 2j6m s LEU 979 CO 0.43 -0.02 0.13 -0.69 0.23 0.00 0.00 176.35 176.44 2j6m s VAL 980 N 0.57 3.40 -0.10 -1.59 1.01 -0.52 -4.53 120.40 118.64 2j6m s VAL 980 Ca -0.07 -1.61 0.02 0.00 0.00 0.00 0.00 61.98 60.32 2j6m s VAL 980 Cb -0.11 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2j6m s VAL 980 CO -0.00 -0.40 -0.17 -0.63 0.00 0.00 0.00 175.10 173.90 2j6m s ILE 981 N 1.26 1.58 -0.76 2.22 1.01 -1.26 -4.41 121.20 120.83 2j6m s ILE 981 Ca 0.02 -0.71 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 2j6m s ILE 981 Cb -0.21 -1.42 -0.16 0.00 0.01 0.00 0.00 42.46 40.67 2j6m s ILE 981 CO -0.01 0.46 2.46 1.67 0.00 0.00 0.00 174.94 179.51 2j6m n GLN 982 N 4.02 0.51 0.00 2.79 -0.06 -1.26 -1.42 117.38 121.96 2j6m n GLN 982 Ca -0.20 -0.18 0.00 0.00 -2.00 0.00 0.00 57.00 54.62 2j6m n GLN 982 Cb 0.52 -2.62 0.00 0.00 -4.06 0.00 0.00 30.24 24.07 2j6m n GLN 982 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2j6m n GLY 983 N 6.23 1.10 3.65 1.69 0.00 -1.26 -5.07 105.19 111.53 2j6m n GLY 983 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 2j6m n GLY 983 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j6m s ASP 984 N -1.76 6.33 0.00 1.61 2.15 -0.51 -5.08 116.67 119.42 2j6m s ASP 984 Ca 0.00 2.35 0.00 0.00 0.43 0.00 0.00 52.55 55.33 2j6m s ASP 984 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2j6m s ASP 984 CO 0.00 -1.19 0.00 0.47 -0.17 0.00 0.00 175.17 174.28 2j6m n ASP 1003N 8.20 0.00 -2.16 -0.34 10.43 -1.26 -5.01 116.55 126.42 2j6m n ASP 1003Ca 0.21 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.55 2j6m n ASP 1003Cb 0.42 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.44 2j6m n ASP 1003CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2j6m n GLU 1004N 0.00 0.61 -4.25 -1.24 0.00 -1.26 -5.15 120.64 109.35 2j6m n GLU 1004Ca 0.00 -0.66 -0.16 0.00 0.00 0.00 0.00 57.16 56.34 2j6m n GLU 1004Cb 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 31.44 31.51 2j6m n GLU 1004CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2j6m s GLU 1005N 0.07 1.55 -0.84 3.44 2.02 -1.26 -5.00 118.70 118.68 2j6m s GLU 1005Ca 0.05 -1.86 -0.17 0.00 0.02 0.00 0.00 54.97 53.01 2j6m s GLU 1005Cb 0.20 0.31 -0.12 0.00 0.10 0.00 0.00 34.13 34.62 2j6m s GLU 1005CO -0.06 -0.56 1.99 -0.25 0.02 0.00 0.00 175.26 176.41 2j6m n ASP 1006N -1.06 3.26 -0.45 -0.19 9.92 -1.26 -4.59 116.55 122.17 2j6m n ASP 1006Ca 0.05 -2.58 0.00 0.00 -0.53 0.00 0.00 54.79 51.73 2j6m n ASP 1006Cb 0.64 -1.13 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 2j6m n ASP 1006CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2j6m n MET 1007N 6.15 0.00 -0.06 -1.24 2.81 -1.26 -2.91 117.12 120.61 2j6m n MET 1007Ca 0.48 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 56.30 2j6m n MET 1007Cb 0.32 -0.90 0.10 0.00 -0.71 0.00 0.00 33.22 32.03 2j6m n MET 1007CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 2j6m h ASP 1008N 0.70 0.71 -0.25 7.83 -0.00 -2.03 -3.17 116.42 120.22 2j6m h ASP 1008Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 2j6m h ASP 1008Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 39.33 39.13 2j6m h ASP 1008CO 0.00 0.96 0.00 0.47 -0.00 0.00 0.00 179.24 180.67 2j6m n ASP 1009N -4.09 3.45 -4.74 2.28 10.43 -1.14 -5.01 116.55 117.72 2j6m n ASP 1009Ca -0.01 -2.73 -0.41 0.00 2.57 0.00 0.00 54.79 54.21 2j6m n ASP 1009Cb 0.46 -0.44 -0.03 0.00 1.84 0.00 0.00 41.12 42.94 2j6m n ASP 1009CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2j6m s VAL 1010N -2.31 3.63 0.30 2.53 0.11 -1.20 -2.36 120.40 121.11 2j6m s VAL 1010Ca 0.35 1.36 0.03 0.00 -2.93 0.00 0.00 61.98 60.79 2j6m s VAL 1010Cb 0.27 -3.87 -0.06 0.00 -1.53 0.00 0.00 36.38 31.19 2j6m s VAL 1010CO 0.10 0.21 0.08 -0.69 -3.33 0.00 0.00 175.10 171.46 2j6m s VAL 1011N 0.00 0.92 -0.12 2.04 1.01 -0.21 -4.89 120.40 119.15 2j6m s VAL 1011Ca 0.53 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.53 2j6m s VAL 1011Cb -0.32 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 2j6m s VAL 1011CO 0.36 0.00 -0.19 -0.62 0.00 0.00 0.00 175.10 174.65 2j6m s ASP 1012N -3.42 3.49 0.01 3.32 2.15 -1.26 -4.21 116.67 116.76 2j6m s ASP 1012Ca 0.37 -0.47 -0.03 0.00 0.43 0.00 0.00 52.55 52.85 2j6m s ASP 1012Cb 0.08 -1.51 -0.01 0.00 -0.30 0.00 0.00 42.92 41.19 2j6m s ASP 1012CO 0.15 0.14 0.27 0.00 -0.17 0.00 0.00 175.17 175.56 2j6m n ALA 1013N 3.66 -0.05 0.00 3.66 0.00 -1.26 0.40 120.51 126.92 2j6m n ALA 1013Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2j6m n ALA 1013Cb 0.53 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2j6m n ALA 1013CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2j6m n ASP 1014N -2.96 0.00 -0.00 0.00 9.92 -1.26 0.40 116.55 122.65 2j6m n ASP 1014Ca 0.00 0.07 0.05 0.00 -0.53 0.00 0.00 54.79 54.38 2j6m n ASP 1014Cb 0.02 -0.07 -0.07 0.00 -0.64 0.00 0.00 41.12 40.36 2j6m n ASP 1014CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2j6m n GLU 1015N -1.07 1.27 -3.30 -1.24 4.71 1.33 -4.89 120.64 117.45 2j6m n GLU 1015Ca 0.00 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.16 56.66 2j6m n GLU 1015Cb 0.43 -1.17 -0.08 0.00 -1.01 0.00 0.00 31.44 29.60 2j6m n GLU 1015CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2j6m s TYR 1016N -2.51 3.16 0.18 -0.32 6.14 1.33 -4.95 117.35 120.39 2j6m s TYR 1016Ca -0.02 -0.27 0.09 0.00 0.64 0.00 0.00 57.07 57.51 2j6m s TYR 1016Cb 0.07 -2.92 -0.04 0.00 0.42 0.00 0.00 41.96 39.48 2j6m s TYR 1016CO 0.43 -0.68 -0.19 -0.51 0.64 0.00 0.00 175.55 175.24 2j6m s LEU 1017N 2.22 2.47 0.07 6.97 1.43 -1.26 -4.87 118.68 125.70 2j6m s LEU 1017Ca 0.14 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 2j6m s LEU 1017Cb -0.17 -0.87 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 2j6m s LEU 1017CO 0.14 -0.03 -0.09 0.27 0.23 0.00 0.00 176.35 176.88 2j6m s ILE 1018N -2.16 0.74 0.82 -0.59 -4.36 -1.26 -5.12 121.20 109.26 2j6m s ILE 1018Ca 0.18 -1.42 -0.15 0.00 -0.26 0.00 0.00 60.65 59.01 2j6m s ILE 1018Cb -0.05 -1.07 -0.13 0.00 1.25 0.00 0.00 42.46 42.46 2j6m s ILE 1018CO 0.08 -0.51 -0.64 -2.65 0.24 0.00 0.00 174.94 171.46 2j6m n PRO 1019N 0.91 0.00 0.00 0.37 -0.02 -1.26 -5.22 135.00 129.78 2j6m n PRO 1019Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2j6m n PRO 1019Cb 0.57 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 2j6m n PRO 1019CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52