#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iqt h ASN 797 N 0.00 0.00 -3.94 -3.46 2.35 -2.08 -3.47 115.58 104.98 3iqt h ASN 797 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 3iqt h ASN 797 Cb 0.00 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.43 3iqt h ASN 797 CO 0.00 0.00 0.53 0.00 -1.65 0.00 0.00 177.43 176.31 3iqt s ALA 798 N -3.19 3.19 0.35 -0.83 0.00 -1.26 -5.06 121.76 114.96 3iqt s ALA 798 Ca 0.08 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.14 3iqt s ALA 798 Cb 0.10 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 3iqt s ALA 798 CO 0.59 -0.61 0.03 0.14 0.00 0.00 0.00 175.76 175.90 3iqt s VAL 799 N -1.36 1.54 -0.01 0.00 -7.23 -1.26 -4.97 120.40 107.11 3iqt s VAL 799 Ca 0.57 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 3iqt s VAL 799 Cb -0.33 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 3iqt s VAL 799 CO 0.42 -0.03 1.16 0.21 -0.31 0.00 0.00 175.10 176.54 3iqt s ASN 800 N -3.57 7.12 0.00 4.85 2.47 -1.26 -4.88 114.94 119.67 3iqt s ASN 800 Ca 0.35 1.85 0.03 0.00 0.42 0.00 0.00 52.86 55.51 3iqt s ASN 800 Cb 0.09 -2.57 0.05 0.00 -1.45 0.00 0.00 41.25 37.37 3iqt s ASN 800 CO 0.16 -0.49 0.81 -0.62 -3.72 0.00 0.00 177.10 173.24 3iqt n GLU 801 N 4.53 1.06 -2.74 0.43 1.02 -1.26 -4.86 120.64 118.83 3iqt n GLU 801 Ca 0.09 -1.12 -0.42 0.00 -0.02 0.00 0.00 57.16 55.69 3iqt n GLU 801 Cb 0.47 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.80 3iqt n GLU 801 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3iqt s ILE 802 N -0.59 4.75 -0.26 -3.67 1.01 -1.26 -5.02 121.20 116.16 3iqt s ILE 802 Ca 0.04 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 62.50 3iqt s ILE 802 Cb 0.03 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 3iqt s ILE 802 CO 0.04 -0.12 0.06 -0.69 0.00 0.00 0.00 174.94 174.23 3iqt s VAL 803 N 2.89 4.09 0.35 2.92 1.01 -1.26 -5.01 120.40 125.40 3iqt s VAL 803 Ca 0.42 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.06 3iqt s VAL 803 Cb -0.16 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.40 3iqt s VAL 803 CO 0.08 0.25 1.88 -0.37 0.00 0.00 0.00 175.10 176.95 3iqt h VAL 804 N 5.67 1.19 -2.20 2.92 -1.51 -1.99 -3.44 116.25 116.90 3iqt h VAL 804 Ca -0.36 -0.79 -0.07 0.00 -1.23 0.00 0.00 66.70 64.25 3iqt h VAL 804 Cb 1.16 1.02 -0.21 0.00 -2.13 0.00 0.00 31.29 31.13 3iqt h VAL 804 CO 0.59 0.27 0.06 0.21 -1.23 0.00 0.00 177.57 177.47 3iqt s ASN 805 N -6.77 -0.62 0.60 4.19 3.84 -1.26 -5.06 114.94 109.85 3iqt s ASN 805 Ca -0.07 0.97 0.30 0.00 0.21 0.00 0.00 52.86 54.27 3iqt s ASN 805 Cb 0.15 0.94 1.79 0.00 -0.55 0.00 0.00 41.25 43.59 3iqt s ASN 805 CO 0.76 -0.38 2.20 -0.65 -2.79 0.00 0.00 177.10 176.23 3iqt h PRO 806 N 4.25 0.00 0.00 0.43 0.11 -1.96 0.16 132.00 134.99 3iqt h PRO 806 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3iqt h PRO 806 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iqt h PRO 806 CO 0.23 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.11 3iqt n ASN 807 N -3.76 0.68 0.21 -2.05 4.13 -1.26 -0.98 115.26 112.23 3iqt n ASN 807 Ca -0.01 0.70 0.08 0.00 1.68 0.00 0.00 54.58 57.02 3iqt n ASN 807 Cb 0.18 -0.83 0.47 0.00 -1.54 0.00 0.00 39.78 38.06 3iqt n ASN 807 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iqt h ALA 808 N 2.20 1.14 0.00 5.41 0.00 -1.37 -3.31 119.26 123.33 3iqt h ALA 808 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3iqt h ALA 808 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3iqt h ALA 808 CO 0.00 0.35 -0.64 1.15 0.00 0.00 0.00 179.25 180.11 3iqt h THR 809 N 0.00 0.97 -3.27 0.00 2.02 -1.17 0.26 112.91 111.72 3iqt h THR 809 Ca -0.00 -1.95 -0.41 0.00 0.77 0.00 0.00 66.41 64.82 3iqt h THR 809 Cb 0.68 2.04 -0.39 0.00 -1.74 0.00 0.00 68.15 68.74 3iqt h THR 809 CO 0.04 0.33 -0.75 -0.22 0.37 0.00 0.00 175.52 175.28 3iqt s LEU 810 N -8.10 0.37 -0.52 2.58 2.96 -0.91 -4.08 118.68 110.99 3iqt s LEU 810 Ca -0.21 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3iqt s LEU 810 Cb 0.02 -0.28 0.14 0.00 0.50 0.00 0.00 46.19 46.56 3iqt s LEU 810 CO 0.51 -0.24 0.32 -0.62 -1.32 0.00 0.00 176.35 175.00 3iqt s ASP 811 N 2.08 5.18 0.32 3.68 -1.08 0.40 -4.21 116.67 123.03 3iqt s ASP 811 Ca 0.04 -2.50 0.08 0.00 -0.52 0.00 0.00 52.55 49.66 3iqt s ASP 811 Cb -0.13 -1.82 0.54 0.00 -1.46 0.00 0.00 42.92 40.04 3iqt s ASP 811 CO -0.05 -0.43 1.74 -0.25 0.52 0.00 0.00 175.17 176.70 3iqt h TRP 812 N 7.44 0.19 -0.28 -5.34 2.91 -1.93 -0.90 115.95 118.04 3iqt h TRP 812 Ca -0.07 -0.05 -0.12 0.00 1.13 0.00 0.00 58.89 59.79 3iqt h TRP 812 Cb 0.99 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.58 3iqt h TRP 812 CO 0.62 0.54 -0.31 1.96 -1.03 0.00 0.00 178.44 180.23 3iqt h GLN 813 N 0.14 0.59 -0.32 2.65 4.20 -1.96 0.17 115.11 120.59 3iqt h GLN 813 Ca 0.01 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3iqt h GLN 813 Cb 0.76 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3iqt h GLN 813 CO 0.06 0.83 0.19 1.25 -0.67 0.00 0.00 178.83 180.49 3iqt h LEU 814 N 0.50 0.38 -0.38 1.46 5.85 -1.83 -1.28 115.31 120.02 3iqt h LEU 814 Ca 0.06 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3iqt h LEU 814 Cb 0.78 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 3iqt h LEU 814 CO 0.06 0.32 0.11 0.00 -0.34 0.00 0.00 178.44 178.59 3iqt h ALA 815 N 1.08 0.43 -0.67 1.25 0.00 -0.74 -1.80 119.26 118.81 3iqt h ALA 815 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3iqt h ALA 815 Cb 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3iqt h ALA 815 CO -0.02 -0.29 0.34 -0.07 0.00 0.00 0.00 179.25 179.21 3iqt h LEU 816 N 0.25 0.87 -2.33 0.00 3.38 -0.87 -2.41 115.31 114.20 3iqt h LEU 816 Ca 0.18 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3iqt h LEU 816 Cb 0.18 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3iqt h LEU 816 CO -0.20 0.75 0.06 -0.09 0.09 0.00 0.00 178.44 179.05 3iqt h ARG 817 N 0.93 0.00 -0.00 1.13 9.65 -0.59 0.35 114.38 125.84 3iqt h ARG 817 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3iqt h ARG 817 Cb 0.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3iqt h ARG 817 CO -0.03 0.00 -0.46 1.04 2.80 0.00 0.00 179.97 183.32 3iqt n GLN 818 N -3.94 0.47 -1.73 0.20 1.13 -0.74 -4.28 117.38 108.49 3iqt n GLN 818 Ca -0.02 -0.31 -0.19 0.00 -1.94 0.00 0.00 57.00 54.55 3iqt n GLN 818 Cb 0.16 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.07 3iqt n GLN 818 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3iqt n ALA 819 N -1.00 4.80 -2.02 -1.58 0.00 -0.54 -4.93 120.51 115.24 3iqt n ALA 819 Ca 0.08 -3.69 -0.19 0.00 0.00 0.00 0.00 53.44 49.64 3iqt n ALA 819 Cb 0.35 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 3iqt n ALA 819 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iqt n ALA 820 N -0.79 -0.49 -1.09 0.00 0.00 -1.21 -0.97 120.51 115.96 3iqt n ALA 820 Ca 0.40 0.23 -0.03 0.00 0.00 0.00 0.00 53.44 54.04 3iqt n ALA 820 Cb 0.91 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 3iqt n ALA 820 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iqt n GLY 821 N -0.69 0.53 3.64 0.00 0.00 0.00 -5.00 105.19 103.67 3iqt n GLY 821 Ca -0.21 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3iqt n GLY 821 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iqt s LYS 822 N -1.57 4.06 0.19 1.61 -0.14 -0.14 -4.98 119.74 118.77 3iqt s LYS 822 Ca 0.00 -0.07 -0.12 0.00 -1.36 0.00 0.00 55.97 54.42 3iqt s LYS 822 Cb 0.00 -3.59 0.11 0.00 -1.68 0.00 0.00 37.83 32.68 3iqt s LYS 822 CO 0.00 -0.09 1.86 1.15 -0.76 0.00 0.00 175.35 177.50 3iqt h THR 823 N 5.17 1.17 -0.64 2.17 2.02 -1.94 -1.16 112.91 119.70 3iqt h THR 823 Ca -0.35 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 3iqt h THR 823 Cb 1.17 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3iqt h THR 823 CO 0.65 0.17 0.12 -2.24 0.37 0.00 0.00 175.52 174.59 3iqt h ASP 824 N 0.89 1.01 -0.26 4.18 2.03 -1.95 0.11 116.42 122.43 3iqt h ASP 824 Ca 0.24 -0.25 -0.15 0.00 -0.73 0.00 0.00 57.03 56.14 3iqt h ASP 824 Cb -0.09 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.15 3iqt h ASP 824 CO -0.05 1.00 -0.44 0.25 -1.03 0.00 0.00 179.24 178.97 3iqt h LEU 825 N 0.97 0.83 -1.11 0.15 5.85 -1.82 -1.55 115.31 118.61 3iqt h LEU 825 Ca 0.20 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3iqt h LEU 825 Cb 0.41 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3iqt h LEU 825 CO 0.01 1.20 0.37 0.00 -0.34 0.00 0.00 178.44 179.68 3iqt h ALA 826 N 0.65 1.32 0.02 1.25 0.00 -0.95 -2.58 119.26 118.97 3iqt h ALA 826 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3iqt h ALA 826 Cb 1.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3iqt h ALA 826 CO 0.10 0.55 -0.10 -0.09 0.00 0.00 0.00 179.25 179.70 3iqt h ARG 827 N 0.99 -0.18 -1.39 0.00 2.43 -0.67 -1.12 114.38 114.45 3iqt h ARG 827 Ca 0.25 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3iqt h ARG 827 Cb 0.05 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3iqt h ARG 827 CO -0.04 -0.12 0.00 -0.25 -1.51 0.00 0.00 179.97 178.06 3iqt n ASP 828 N -5.22 0.83 0.00 -3.80 8.00 -0.60 -1.02 116.55 114.74 3iqt n ASP 828 Ca -0.06 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3iqt n ASP 828 Cb 0.15 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3iqt n ASP 828 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3iqt n LEU 830 N 0.73 0.00 -0.65 0.64 7.94 -0.42 -4.64 117.00 120.60 3iqt n LEU 830 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3iqt n LEU 830 Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 3iqt n LEU 830 CO 0.00 0.00 0.01 1.67 -1.11 0.00 0.00 177.39 177.96 3iqt n GLN 831 N 0.00 0.03 0.00 1.96 -0.06 -0.19 -1.14 117.38 117.99 3iqt n GLN 831 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3iqt n GLN 831 Cb 0.00 -1.15 0.00 0.00 -4.06 0.00 0.00 30.24 25.03 3iqt n GLN 831 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3iqt n LEU 833 N 0.63 0.00 -0.27 1.69 7.94 -1.26 -1.24 117.00 124.49 3iqt n LEU 833 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3iqt n LEU 833 Cb 0.01 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.21 3iqt n LEU 833 CO 0.00 0.00 1.24 -0.07 -1.11 0.00 0.00 177.39 177.45 3iqt h LEU 834 N 0.00 0.87 -1.05 -1.96 3.38 -1.54 -1.56 115.31 113.45 3iqt h LEU 834 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iqt h LEU 834 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3iqt h LEU 834 CO 0.00 0.57 -0.07 0.44 0.09 0.00 0.00 178.44 179.47 3iqt h ASP 835 N 1.00 0.00 0.60 -0.43 3.32 -1.43 -3.13 116.42 116.34 3iqt h ASP 835 Ca 0.36 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.13 3iqt h ASP 835 Cb 0.15 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3iqt h ASP 835 CO -0.12 0.07 -1.50 0.15 -1.72 0.00 0.00 179.24 176.11 3iqt h PHE 836 N 0.00 0.10 -0.97 4.55 3.57 -1.60 -3.40 116.94 119.19 3iqt h PHE 836 Ca -0.00 -0.08 0.16 0.00 3.53 0.00 0.00 57.97 61.59 3iqt h PHE 836 Cb 0.69 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.33 3iqt h PHE 836 CO 0.00 1.11 0.58 -0.07 -2.23 0.00 0.00 178.31 177.70 3iqt h LEU 837 N 0.02 0.76 -1.65 0.59 3.38 -1.26 -1.99 115.31 115.16 3iqt h LEU 837 Ca -0.21 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3iqt h LEU 837 Cb 1.95 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 3iqt h LEU 837 CO 0.11 0.32 0.25 -0.65 0.09 0.00 0.00 178.44 178.56 3iqt h PRO 838 N 0.79 0.46 -0.56 1.13 0.11 -1.78 0.19 132.00 132.34 3iqt h PRO 838 Ca 0.53 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.59 3iqt h PRO 838 Cb 0.74 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 3iqt h PRO 838 CO -0.35 0.31 0.25 1.49 -0.21 0.00 0.00 178.00 179.49 3iqt h GLU 839 N 0.48 0.81 -0.31 1.05 4.81 -1.65 -1.39 114.58 118.38 3iqt h GLU 839 Ca 0.15 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3iqt h GLU 839 Cb 0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3iqt h GLU 839 CO -0.03 0.68 -0.01 0.28 -0.73 0.00 0.00 179.01 179.20 3iqt h VAL 840 N 0.75 1.26 -0.53 0.32 2.07 -1.22 -2.65 116.25 116.25 3iqt h VAL 840 Ca 0.19 -0.96 0.10 0.00 0.82 0.00 0.00 66.70 66.85 3iqt h VAL 840 Cb 0.15 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 3iqt h VAL 840 CO -0.02 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 177.87 3iqt h ARG 841 N 0.34 0.20 -0.55 1.57 2.43 -0.51 -0.37 114.38 117.49 3iqt h ARG 841 Ca 0.09 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3iqt h ARG 841 Cb 0.45 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3iqt h ARG 841 CO 0.02 0.13 0.18 -0.91 -1.51 0.00 0.00 179.97 177.87 3iqt h ASN 842 N 0.20 0.79 -0.54 -3.80 2.35 -1.10 0.18 115.58 113.67 3iqt h ASN 842 Ca 0.27 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3iqt h ASN 842 Cb 0.40 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3iqt h ASN 842 CO -0.38 0.79 0.14 0.50 -1.65 0.00 0.00 177.43 176.82 3iqt h LYS 843 N 0.76 0.86 -0.65 0.81 1.63 -1.08 -1.59 116.57 117.31 3iqt h LYS 843 Ca 0.18 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.73 3iqt h LYS 843 Cb 0.27 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 3iqt h LYS 843 CO -0.01 0.80 0.22 0.28 -3.45 0.00 0.00 179.45 177.30 3iqt h VAL 844 N 0.76 1.25 -0.61 2.00 2.07 -0.77 -1.46 116.25 119.48 3iqt h VAL 844 Ca 0.17 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3iqt h VAL 844 Cb 0.32 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3iqt h VAL 844 CO -0.00 0.32 0.31 -0.33 0.02 0.00 0.00 177.57 177.89 3iqt h GLU 845 N 0.93 0.87 -0.51 1.57 5.08 -0.82 -0.34 114.58 121.35 3iqt h GLU 845 Ca 0.21 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3iqt h GLU 845 Cb 0.27 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3iqt h GLU 845 CO -0.01 0.68 0.28 0.93 -1.00 0.00 0.00 179.01 179.89 3iqt h GLU 846 N 0.84 0.53 -0.39 2.33 5.08 -0.98 -2.28 114.58 119.70 3iqt h GLU 846 Ca 0.21 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3iqt h GLU 846 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3iqt h GLU 846 CO -0.03 0.35 0.24 0.37 -1.00 0.00 0.00 179.01 178.94 3iqt h GLN 847 N 0.55 0.47 0.00 2.33 5.75 -0.86 -1.67 115.11 121.67 3iqt h GLN 847 Ca 0.22 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3iqt h GLN 847 Cb 0.09 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.54 3iqt h GLN 847 CO -0.13 0.31 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.25 3iqt h LEU 848 N 0.48 0.00 -3.15 -2.39 3.38 -0.56 -2.52 115.31 110.55 3iqt h LEU 848 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3iqt h LEU 848 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3iqt h LEU 848 CO -0.06 0.04 0.00 1.33 0.09 0.00 0.00 178.44 179.83 3iqt n VAL 849 N -3.45 1.87 -0.51 1.22 0.24 -0.91 -4.98 118.33 111.81 3iqt n VAL 849 Ca -0.02 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.77 3iqt n VAL 849 Cb 0.15 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 3iqt n VAL 849 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iqt n GLY 850 N 0.06 0.74 0.00 7.63 0.00 -0.95 -4.95 105.19 107.73 3iqt n GLY 850 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3iqt n GLY 850 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iqt n GLU 851 N -2.47 0.14 -4.05 1.61 1.02 -0.65 -4.92 120.64 111.31 3iqt n GLU 851 Ca 0.00 0.10 -0.38 0.00 -0.02 0.00 0.00 57.16 56.86 3iqt n GLU 851 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 3iqt n GLU 851 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iqt n ASN 852 N -1.41 -2.72 -4.73 1.62 5.15 -1.26 -4.86 115.26 107.05 3iqt n ASN 852 Ca 0.08 -1.21 -0.38 0.00 -0.60 0.00 0.00 54.58 52.47 3iqt n ASN 852 Cb 0.23 -2.12 0.06 0.00 -0.53 0.00 0.00 39.78 37.42 3iqt n ASN 852 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3iqt n PRO 853 N -4.73 1.32 -2.24 1.20 -0.04 -1.26 -4.99 135.00 124.25 3iqt n PRO 853 Ca -0.18 0.50 -0.34 0.00 -0.04 0.00 0.00 63.50 63.44 3iqt n PRO 853 Cb 0.61 -2.54 -0.00 0.00 -0.04 0.00 0.00 33.50 31.53 3iqt n PRO 853 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3iqt s GLU 854 N -3.19 3.42 -0.49 0.54 1.03 -1.26 -4.19 118.70 114.56 3iqt s GLU 854 Ca 0.79 1.41 0.00 0.00 0.03 0.00 0.00 54.97 57.20 3iqt s GLU 854 Cb -0.39 -2.03 0.00 0.00 -0.80 0.00 0.00 34.13 30.90 3iqt s GLU 854 CO 0.43 -0.75 0.00 0.41 -1.33 0.00 0.00 175.26 174.02 3iqt n GLY 855 N -0.31 0.69 0.28 -3.83 0.00 -1.26 -4.96 105.19 95.80 3iqt n GLY 855 Ca 0.10 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 3iqt n GLY 855 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3iqt h LEU 856 N 0.00 -0.55 -0.99 0.99 5.85 -1.98 -2.01 115.31 116.62 3iqt h LEU 856 Ca -0.10 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3iqt h LEU 856 Cb 0.38 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3iqt h LEU 856 CO 0.14 -0.27 0.27 1.62 -0.34 0.00 0.00 178.44 179.86 3iqt h VAL 857 N -0.83 1.23 -0.21 1.05 3.04 -1.94 -0.61 116.25 117.99 3iqt h VAL 857 Ca -0.07 -0.74 -0.08 0.00 -1.01 0.00 0.00 66.70 64.81 3iqt h VAL 857 Cb 0.58 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 3iqt h VAL 857 CO 0.11 0.30 -0.20 0.44 -1.01 0.00 0.00 177.57 177.20 3iqt h ASP 858 N 0.98 0.36 -0.19 3.17 3.32 -1.97 -0.01 116.42 122.07 3iqt h ASP 858 Ca 0.23 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 3iqt h ASP 858 Cb 0.19 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.65 3iqt h ASP 858 CO -0.02 0.58 -0.63 0.25 -1.72 0.00 0.00 179.24 177.70 3iqt h LEU 859 N 0.33 0.89 -1.00 1.55 5.85 -0.63 -1.37 115.31 120.93 3iqt h LEU 859 Ca 0.06 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 3iqt h LEU 859 Cb 0.55 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3iqt h LEU 859 CO 0.04 1.33 0.41 0.40 -0.34 0.00 0.00 178.44 180.27 3iqt h ILE 860 N 0.49 1.24 -0.54 4.05 1.08 -0.92 -0.68 117.51 122.23 3iqt h ILE 860 Ca -0.02 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 3iqt h ILE 860 Cb 1.25 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 3iqt h ILE 860 CO 0.13 0.28 0.31 -0.74 -0.69 0.00 0.00 178.15 177.44 3iqt h HIS 861 N 1.11 0.73 -0.74 1.37 2.76 -0.88 -0.02 115.15 119.48 3iqt h HIS 861 Ca 0.28 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3iqt h HIS 861 Cb 0.06 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 3iqt h HIS 861 CO 0.01 0.52 0.43 0.87 -1.30 0.00 0.00 177.93 178.46 3iqt h LYS 862 N 0.73 1.03 -0.68 5.26 1.57 -0.79 -1.38 116.57 122.31 3iqt h LYS 862 Ca 0.19 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3iqt h LYS 862 Cb 0.02 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3iqt h LYS 862 CO -0.03 0.75 0.14 1.25 -0.57 0.00 0.00 179.45 180.99 3iqt h LEU 863 N 1.02 1.05 -0.47 2.94 5.85 -0.73 -0.52 115.31 124.45 3iqt h LEU 863 Ca 0.26 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3iqt h LEU 863 Cb 0.00 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3iqt h LEU 863 CO -0.05 1.03 0.20 -0.74 -0.34 0.00 0.00 178.44 178.54 3iqt h HIS 864 N 1.03 0.37 -0.49 1.25 2.76 -0.62 0.04 115.15 119.49 3iqt h HIS 864 Ca 0.21 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.37 3iqt h HIS 864 Cb 0.40 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 3iqt h HIS 864 CO 0.03 0.16 0.18 0.78 -1.30 0.00 0.00 177.93 177.77 3iqt h GLY 865 N 0.40 0.80 0.67 5.26 0.00 -0.96 -2.86 103.07 106.38 3iqt h GLY 865 Ca 0.22 -0.45 0.07 0.00 0.00 0.00 0.00 47.33 47.17 3iqt h GLY 865 CO -0.19 0.42 0.52 0.23 0.00 0.00 0.00 176.54 177.53 3iqt h SER 866 N 0.65 0.80 -0.43 0.19 0.87 -0.46 -1.89 113.55 113.28 3iqt h SER 866 Ca 0.16 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3iqt h SER 866 Cb 0.23 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3iqt h SER 866 CO -0.01 0.50 0.29 0.00 -0.53 0.00 0.00 176.83 177.08 3iqt h GLY 868 N 0.49 0.00 1.35 0.00 0.00 -1.19 -1.06 103.07 102.67 3iqt h GLY 868 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3iqt h GLY 868 CO -0.04 0.00 -0.11 -1.72 0.00 0.00 0.00 176.54 174.67 3iqt n TYR 869 N -3.16 0.00 -1.50 5.60 4.02 -0.78 -4.90 117.16 116.45 3iqt n TYR 869 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3iqt n TYR 869 Cb 0.19 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.21 3iqt n TYR 869 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3iqt n SER 870 N -1.24 0.00 -3.16 7.72 2.88 -0.40 -4.66 113.62 114.75 3iqt n SER 870 Ca 0.11 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.46 3iqt n SER 870 Cb 0.29 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 3iqt n SER 870 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iqt n GLY 871 N 3.04 1.27 2.32 0.46 0.00 -1.26 -4.19 105.19 106.84 3iqt n GLY 871 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 3iqt n GLY 871 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iqt n VAL 872 N 2.74 0.10 -0.17 1.61 0.24 -1.26 -0.46 118.33 121.13 3iqt n VAL 872 Ca 0.25 -4.26 -0.07 0.00 -2.04 0.00 0.00 64.34 58.21 3iqt n VAL 872 Cb 0.51 -1.96 0.02 0.00 -1.47 0.00 0.00 33.84 30.94 3iqt n VAL 872 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3iqt h PRO 873 N 4.37 0.66 -0.73 7.34 0.11 -1.70 -1.32 132.00 140.73 3iqt h PRO 873 Ca 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3iqt h PRO 873 Cb 0.82 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3iqt h PRO 873 CO 0.55 0.45 0.00 -2.13 -0.21 0.00 0.00 178.00 176.66 3iqt n ARG 874 N -4.73 0.11 0.00 1.05 0.63 0.92 -1.37 116.66 113.27 3iqt n ARG 874 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3iqt n ARG 874 Cb 0.03 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 31.75 3iqt n ARG 874 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3iqt n LYS 876 N 0.62 0.00 0.06 -0.14 4.81 -0.50 -0.68 118.16 122.34 3iqt n LYS 876 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 3iqt n LYS 876 Cb 0.04 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.28 3iqt n LYS 876 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3iqt h ASN 877 N 0.00 0.36 -0.62 3.14 2.35 -1.48 -1.41 115.58 117.91 3iqt h ASN 877 Ca 0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3iqt h ASN 877 Cb 0.00 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3iqt h ASN 877 CO 0.00 0.72 0.40 -0.07 -1.65 0.00 0.00 177.43 176.82 3iqt h LEU 878 N 0.29 0.73 -0.97 1.61 3.38 -1.15 0.69 115.31 119.89 3iqt h LEU 878 Ca 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3iqt h LEU 878 Cb 0.82 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3iqt h LEU 878 CO 0.07 0.55 0.43 0.00 0.09 0.00 0.00 178.44 179.58 3iqt h GLN 880 N 1.16 0.14 -0.38 0.00 4.15 -0.88 -0.45 115.11 118.85 3iqt h GLN 880 Ca 0.29 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.75 3iqt h GLN 880 Cb 0.06 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.67 3iqt h GLN 880 CO -0.04 0.27 0.00 -0.07 -1.93 0.00 0.00 178.83 177.05 3iqt h LEU 881 N -0.02 -0.16 0.00 -2.39 3.38 -0.50 0.15 115.31 115.77 3iqt h LEU 881 Ca 0.03 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iqt h LEU 881 Cb 0.18 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iqt h LEU 881 CO -0.00 -0.04 -0.00 0.40 0.09 0.00 0.00 178.44 178.88 3iqt h ILE 882 N 0.10 1.23 -0.39 1.22 2.04 -0.99 -1.72 117.51 119.00 3iqt h ILE 882 Ca 0.19 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3iqt h ILE 882 Cb 0.26 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3iqt h ILE 882 CO -0.31 0.18 0.03 -0.08 0.00 0.00 0.00 178.15 177.96 3iqt h GLU 883 N -0.30 0.68 -0.33 2.37 4.81 -0.95 -1.55 114.58 119.31 3iqt h GLU 883 Ca -0.00 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 3iqt h GLU 883 Cb 0.29 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3iqt h GLU 883 CO 0.00 0.75 -0.19 1.96 -0.73 0.00 0.00 179.01 180.81 3iqt h GLN 884 N 0.51 0.61 -0.25 1.92 1.08 -0.69 0.10 115.11 118.40 3iqt h GLN 884 Ca 0.12 -0.22 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3iqt h GLN 884 Cb 0.43 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3iqt h GLN 884 CO 0.01 0.77 0.07 1.96 -0.95 0.00 0.00 178.83 180.69 3iqt h GLN 885 N 0.55 0.40 -0.66 1.46 1.08 -1.23 -1.79 115.11 114.92 3iqt h GLN 885 Ca 0.09 -0.09 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 3iqt h GLN 885 Cb 0.63 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 3iqt h GLN 885 CO 0.04 0.50 0.41 -0.07 -0.95 0.00 0.00 178.83 178.76 3iqt h LEU 886 N 0.24 0.67 -1.16 1.46 3.38 -1.00 -1.95 115.31 116.94 3iqt h LEU 886 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3iqt h LEU 886 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3iqt h LEU 886 CO 0.00 0.46 -0.04 0.03 0.09 0.00 0.00 178.44 178.98 3iqt h ARG 887 N 0.80 0.54 0.00 1.13 3.08 -0.73 -1.94 114.38 117.26 3iqt h ARG 887 Ca 0.27 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3iqt h ARG 887 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3iqt h ARG 887 CO -0.11 0.60 0.00 -1.13 -1.07 0.00 0.00 179.97 178.25 3iqt n SER 888 N -4.25 0.00 0.00 7.04 3.41 -0.68 -4.89 113.62 114.25 3iqt n SER 888 Ca 0.01 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 3iqt n SER 888 Cb 0.27 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3iqt n SER 888 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iqt n GLY 889 N 0.90 0.89 3.74 5.00 0.00 -0.73 -5.06 105.19 109.93 3iqt n GLY 889 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3iqt n GLY 889 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iqt n THR 890 N -2.07 0.52 -1.70 2.61 -1.04 -0.78 -4.92 114.28 106.91 3iqt n THR 890 Ca 0.00 -0.13 -0.44 0.00 -2.04 0.00 0.00 64.05 61.44 3iqt n THR 890 Cb 0.00 -2.00 -0.02 0.00 -1.82 0.00 0.00 70.33 66.49 3iqt n THR 890 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3iqt n LYS 891 N 3.06 2.29 -0.24 -2.82 5.02 -1.26 -4.62 118.16 119.58 3iqt n LYS 891 Ca 0.12 0.81 0.03 0.00 -2.02 0.00 0.00 58.31 57.26 3iqt n LYS 891 Cb 0.36 -2.52 0.16 0.00 -0.02 0.00 0.00 35.03 33.01 3iqt n LYS 891 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3iqt h GLU 892 N 4.48 0.46 -0.03 1.97 3.07 -1.98 -1.66 114.58 120.89 3iqt h GLU 892 Ca -0.46 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.38 3iqt h GLU 892 Cb 1.26 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3iqt h GLU 892 CO 0.77 0.30 0.02 1.49 -1.40 0.00 0.00 179.01 180.20 3iqt h GLU 893 N 0.47 0.00 0.00 2.33 4.81 -1.96 -0.81 114.58 119.42 3iqt h GLU 893 Ca 0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3iqt h GLU 893 Cb 0.52 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3iqt h GLU 893 CO -0.36 0.00 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.45 3iqt h ASP 894 N 0.00 0.00 -0.48 1.04 3.32 -1.67 -2.83 116.42 115.80 3iqt h ASP 894 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3iqt h ASP 894 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3iqt h ASP 894 CO -0.00 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 3iqt n LEU 895 N -3.19 3.03 -0.32 1.55 4.77 -0.31 -4.42 117.00 118.10 3iqt n LEU 895 Ca -0.01 -1.43 0.09 0.00 -0.03 0.00 0.00 56.01 54.62 3iqt n LEU 895 Cb 0.23 -0.32 0.29 0.00 -2.33 0.00 0.00 43.42 41.30 3iqt n LEU 895 CO 0.26 0.72 1.23 -0.33 -1.33 0.00 0.00 177.39 177.94 3iqt h GLU 896 N 3.54 0.86 -0.81 3.23 5.08 -1.58 -1.80 114.58 123.10 3iqt h GLU 896 Ca 0.00 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3iqt h GLU 896 Cb 0.80 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3iqt h GLU 896 CO 0.00 0.57 0.53 -1.35 -1.00 0.00 0.00 179.01 177.76 3iqt h PRO 897 N 0.88 1.04 -0.28 2.33 0.11 -1.86 0.01 132.00 134.23 3iqt h PRO 897 Ca 0.47 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.42 3iqt h PRO 897 Cb 0.54 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3iqt h PRO 897 CO -0.23 0.69 -0.23 0.93 -0.21 0.00 0.00 178.00 178.95 3iqt h GLU 898 N 1.07 0.54 -0.52 1.05 3.07 -1.72 -0.42 114.58 117.65 3iqt h GLU 898 Ca 0.31 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 3iqt h GLU 898 Cb -0.08 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3iqt h GLU 898 CO -0.08 0.73 0.14 -0.07 -1.40 0.00 0.00 179.01 178.32 3iqt h LEU 899 N 0.48 0.79 -0.68 1.33 3.38 -0.81 -0.34 115.31 119.46 3iqt h LEU 899 Ca 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3iqt h LEU 899 Cb 0.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3iqt h LEU 899 CO 0.05 0.81 0.21 -0.07 0.09 0.00 0.00 178.44 179.53 3iqt h LEU 900 N 0.73 0.99 -1.03 1.67 3.38 -0.74 -1.89 115.31 118.42 3iqt h LEU 900 Ca 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3iqt h LEU 900 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3iqt h LEU 900 CO 0.00 0.94 0.45 -0.33 0.09 0.00 0.00 178.44 179.59 3iqt h GLU 901 N 1.00 1.13 -0.71 1.13 5.08 -0.88 -1.72 114.58 119.60 3iqt h GLU 901 Ca 0.22 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3iqt h GLU 901 Cb 0.30 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3iqt h GLU 901 CO -0.01 0.82 0.30 1.25 -1.00 0.00 0.00 179.01 180.37 3iqt h LEU 902 N 1.13 0.97 -0.61 1.33 5.85 -0.68 0.73 115.31 124.04 3iqt h LEU 902 Ca 0.29 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3iqt h LEU 902 Cb 0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3iqt h LEU 902 CO -0.05 0.86 0.39 -0.07 -0.34 0.00 0.00 178.44 179.23 3iqt h LEU 903 N 1.01 0.71 -0.47 2.25 3.38 -0.96 -2.43 115.31 118.80 3iqt h LEU 903 Ca 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3iqt h LEU 903 Cb 0.19 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3iqt h LEU 903 CO -0.02 0.53 0.27 0.44 0.09 0.00 0.00 178.44 179.75 3iqt h ASP 904 N 0.82 0.58 0.00 -0.43 3.32 -0.97 -3.10 116.42 116.63 3iqt h ASP 904 Ca 0.22 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3iqt h ASP 904 Cb -0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3iqt h ASP 904 CO -0.05 0.48 0.06 1.21 -1.72 0.00 0.00 179.24 179.23 3iqt n GLU 905 N -4.70 0.41 0.00 3.56 4.07 0.22 -1.84 120.64 122.37 3iqt n GLU 905 Ca 0.02 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 3iqt n GLU 905 Cb 0.07 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 3iqt n GLU 905 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3iqt n ASP 907 N 2.14 0.00 -0.23 4.31 8.00 -1.17 -0.88 116.55 128.71 3iqt n ASP 907 Ca 0.04 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.47 3iqt n ASP 907 Cb 0.20 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.34 3iqt n ASP 907 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3iqt h ASN 908 N 0.00 0.87 -0.64 -2.24 2.35 -1.67 -1.15 115.58 113.09 3iqt h ASN 908 Ca 0.00 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 3iqt h ASN 908 Cb 0.00 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3iqt h ASN 908 CO 0.00 0.77 0.30 0.58 -1.65 0.00 0.00 177.43 177.43 3iqt h VAL 909 N 0.91 1.22 -0.71 2.81 2.07 -1.29 -1.84 116.25 119.42 3iqt h VAL 909 Ca 0.22 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3iqt h VAL 909 Cb 0.15 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3iqt h VAL 909 CO -0.02 0.26 0.35 0.00 0.02 0.00 0.00 177.57 178.17 3iqt h ALA 910 N 1.13 0.91 -0.05 1.67 0.00 -1.72 0.75 119.26 121.96 3iqt h ALA 910 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iqt h ALA 910 Cb 0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3iqt h ALA 910 CO -0.03 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.72 3iqt h ARG 911 N 0.99 0.06 -0.83 0.00 3.08 -0.92 -1.57 114.38 115.19 3iqt h ARG 911 Ca 0.24 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 3iqt h ARG 911 Cb 0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3iqt h ARG 911 CO -0.03 0.10 0.39 0.93 -1.07 0.00 0.00 179.97 180.28 3iqt h GLU 912 N 0.01 1.20 -0.05 0.04 4.39 -1.05 -2.87 114.58 116.25 3iqt h GLU 912 Ca 0.02 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 3iqt h GLU 912 Cb 0.05 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3iqt h GLU 912 CO -0.00 0.93 -0.17 0.00 -1.16 0.00 0.00 179.01 178.60 3iqt h ALA 913 N 1.24 1.61 0.00 3.43 0.00 -0.62 -2.48 119.26 122.44 3iqt h ALA 913 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iqt h ALA 913 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iqt h ALA 913 CO -0.03 0.29 0.00 0.66 0.00 0.00 0.00 179.25 180.16 3iqt h SER 914 N 0.08 0.00 0.00 0.00 4.64 -1.05 -3.20 113.55 114.01 3iqt h SER 914 Ca 0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 3iqt h SER 914 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 3iqt h SER 914 CO 0.02 0.00 -2.01 0.29 -0.87 0.00 0.00 176.83 174.27 3iqt n LYS 915 N -2.80 0.70 -0.24 4.77 5.02 -0.96 -4.73 118.16 119.92 3iqt n LYS 915 Ca 0.02 -0.14 -0.07 0.00 -2.02 0.00 0.00 58.31 56.10 3iqt n LYS 915 Cb 0.35 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.92 3iqt n LYS 915 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3iqt h ILE 916 N 0.00 1.25 -0.01 -0.18 6.09 -1.47 -0.57 117.51 122.61 3iqt h ILE 916 Ca -0.13 -0.84 0.00 0.00 -1.37 0.00 0.00 64.86 62.52 3iqt h ILE 916 Cb 1.24 0.54 0.00 0.00 0.47 0.00 0.00 36.82 39.07 3iqt h ILE 916 CO 0.01 0.32 -0.01 0.18 -3.07 0.00 0.00 178.15 175.58 3iqt n LEU 917 N -4.35 1.49 0.00 2.19 4.77 -1.26 -5.15 117.00 114.69 3iqt n LEU 917 Ca 0.05 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3iqt n LEU 917 Cb 0.21 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3iqt n LEU 917 CO 0.40 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.32