#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbt n PRO 781 N 0.00 2.28 -2.67 1.61 -0.04 -1.26 -4.19 135.00 130.74 2kbt n PRO 781 Ca 0.00 -2.54 -0.04 0.00 -0.04 0.00 0.00 63.50 60.88 2kbt n PRO 781 Cb 0.00 -3.35 0.07 0.00 -0.04 0.00 0.00 33.50 30.18 2kbt n PRO 781 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kbt n GLY 782 N 4.94 -1.02 3.79 0.55 0.00 -1.26 -5.15 105.19 107.04 2kbt n GLY 782 Ca 0.49 0.48 -0.37 0.00 0.00 0.00 0.00 46.02 46.62 2kbt n GLY 782 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kbt s THR 783 N 0.06 4.31 0.00 2.61 2.01 -1.26 -5.01 115.64 118.35 2kbt s THR 783 Ca 0.15 1.70 0.00 0.00 0.31 0.00 0.00 61.69 63.84 2kbt s THR 783 Cb 0.22 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2kbt s THR 783 CO -0.13 0.22 0.77 0.49 -0.69 0.00 0.00 174.62 175.29 2kbt n PHE 784 N 0.77 0.00 0.00 4.92 3.72 -1.26 -4.97 117.46 120.63 2kbt n PHE 784 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kbt n PHE 784 Cb 0.50 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 2kbt n PHE 784 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kbt n GLY 785 N -0.80 3.57 3.71 1.37 0.00 -1.26 -4.86 105.19 106.92 2kbt n GLY 785 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 2kbt n GLY 785 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kbt s THR 786 N 0.00 0.00 -0.20 2.61 -4.23 -1.26 -3.13 115.64 109.43 2kbt s THR 786 Ca 0.00 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.25 2kbt s THR 786 Cb 0.00 -2.16 0.09 0.00 1.34 0.00 0.00 72.50 71.77 2kbt s THR 786 CO 0.00 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.30 2kbt s ALA 787 N -3.86 -0.24 -0.24 3.99 0.00 0.15 -4.27 121.76 117.30 2kbt s ALA 787 Ca 0.17 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 2kbt s ALA 787 Cb -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 2kbt s ALA 787 CO 0.09 -1.20 1.41 0.21 0.00 0.00 0.00 175.76 176.27 2kbt s LYS 788 N 2.32 3.95 0.27 0.00 2.20 -1.23 0.11 119.74 127.35 2kbt s LYS 788 Ca 0.07 1.50 -0.31 0.00 -0.36 0.00 0.00 55.97 56.87 2kbt s LYS 788 Cb -0.16 -3.91 -0.12 0.00 -1.51 0.00 0.00 37.83 32.14 2kbt s LYS 788 CO -0.12 -1.09 1.63 0.00 -0.36 0.00 0.00 175.35 175.42 2kbt s ALA 789 N 4.46 3.81 -1.22 3.13 0.00 0.84 0.13 121.76 132.91 2kbt s ALA 789 Ca 0.61 1.58 0.14 0.00 0.00 0.00 0.00 51.96 54.30 2kbt s ALA 789 Cb -0.21 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 2kbt s ALA 789 CO 0.24 -0.97 0.76 0.54 0.00 0.00 0.00 175.76 176.33 2kbt n ARG 790 N 2.73 1.89 -3.68 0.00 5.12 0.42 -2.79 116.66 120.35 2kbt n ARG 790 Ca 0.11 -0.65 -0.09 0.00 -1.93 0.00 0.00 57.85 55.28 2kbt n ARG 790 Cb 0.37 -1.21 -0.10 0.00 -1.16 0.00 0.00 32.46 30.36 2kbt n ARG 790 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2kbt s TYR 791 N -1.80 -0.74 -0.32 -1.55 2.02 -1.16 -4.83 117.35 108.97 2kbt s TYR 791 Ca 0.11 1.51 -0.28 0.00 -0.37 0.00 0.00 57.07 58.04 2kbt s TYR 791 Cb 0.11 0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.99 2kbt s TYR 791 CO 0.38 -0.41 2.03 -0.51 -1.57 0.00 0.00 175.55 175.48 2kbt s ASP 792 N 1.64 5.53 -0.33 2.29 1.11 -1.26 -4.37 116.67 121.28 2kbt s ASP 792 Ca -0.09 1.46 -0.13 0.00 0.18 0.00 0.00 52.55 53.97 2kbt s ASP 792 Cb -0.08 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 2kbt s ASP 792 CO -0.14 -1.97 0.28 0.12 1.18 0.00 0.00 175.17 174.64 2kbt s PHE 793 N 8.12 3.22 -0.39 4.23 5.36 -0.88 -4.91 117.98 132.73 2kbt s PHE 793 Ca 0.89 -0.07 -0.27 0.00 -0.96 0.00 0.00 56.93 56.52 2kbt s PHE 793 Cb -0.26 -2.53 0.02 0.00 -0.34 0.00 0.00 43.02 39.91 2kbt s PHE 793 CO 0.33 -0.35 1.00 0.00 -1.46 0.00 0.00 175.22 174.74 2kbt s ALA 795 N 3.73 2.75 0.63 0.00 0.00 -1.26 -4.83 121.76 122.78 2kbt s ALA 795 Ca 0.41 -0.59 0.29 0.00 0.00 0.00 0.00 51.96 52.08 2kbt s ALA 795 Cb -0.11 -4.11 1.58 0.00 0.00 0.00 0.00 23.12 20.48 2kbt s ALA 795 CO 0.21 -3.00 1.93 0.07 0.00 0.00 0.00 175.76 174.98 2kbt h ARG 796 N 11.60 0.00 -2.94 0.00 0.11 -1.93 -3.44 114.38 117.79 2kbt h ARG 796 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 2kbt h ARG 796 Cb 1.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 2kbt h ARG 796 CO 1.17 0.00 0.32 0.16 0.10 0.00 0.00 179.97 181.72 2kbt s ASP 797 N -4.90 0.01 0.01 0.08 -4.77 -1.26 -5.00 116.67 100.84 2kbt s ASP 797 Ca -0.04 -1.09 0.11 0.00 -3.30 0.00 0.00 52.55 48.23 2kbt s ASP 797 Cb 0.12 0.81 0.47 0.00 -1.09 0.00 0.00 42.92 43.23 2kbt s ASP 797 CO 0.41 -1.60 1.35 0.54 0.70 0.00 0.00 175.17 176.57 2kbt n ARG 798 N -0.55 0.00 0.00 2.11 1.74 -1.26 -1.44 116.66 117.26 2kbt n ARG 798 Ca -0.08 0.32 0.10 0.00 -0.77 0.00 0.00 57.85 57.42 2kbt n ARG 798 Cb 0.60 -1.51 0.44 0.00 -1.02 0.00 0.00 32.46 30.97 2kbt n ARG 798 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2kbt n SER 799 N -1.52 0.02 -4.45 0.55 3.41 -1.26 -4.62 113.62 105.75 2kbt n SER 799 Ca 0.03 0.50 -0.23 0.00 -0.26 0.00 0.00 58.87 58.91 2kbt n SER 799 Cb 0.13 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.47 2kbt n SER 799 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kbt s GLU 800 N -3.01 1.63 -0.06 4.33 2.56 -0.52 -3.64 118.70 119.98 2kbt s GLU 800 Ca 0.10 -1.74 -0.13 0.00 0.00 0.00 0.00 54.97 53.19 2kbt s GLU 800 Cb 0.13 -1.67 -0.05 0.00 2.00 0.00 0.00 34.13 34.54 2kbt s GLU 800 CO 0.38 0.31 0.35 -1.17 -0.56 0.00 0.00 175.26 174.56 2kbt s LEU 801 N -3.47 4.41 -0.57 2.70 0.20 0.76 -4.25 118.68 118.47 2kbt s LEU 801 Ca 0.29 0.79 -0.26 0.00 0.69 0.00 0.00 54.13 55.64 2kbt s LEU 801 Cb -0.04 -2.47 0.04 0.00 -0.43 0.00 0.00 46.19 43.29 2kbt s LEU 801 CO 0.14 0.28 1.06 -0.55 -0.29 0.00 0.00 176.35 176.98 2kbt s SER 802 N -0.69 6.38 0.20 3.68 0.15 -1.26 -4.41 113.70 117.75 2kbt s SER 802 Ca 0.21 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2kbt s SER 802 Cb -0.15 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2kbt s SER 802 CO 0.10 -1.35 0.36 -0.76 1.20 0.00 0.00 173.24 172.79 2kbt s LEU 803 N 4.42 4.27 -0.27 3.45 1.02 -0.84 -4.87 118.68 125.87 2kbt s LEU 803 Ca 0.36 0.27 -0.04 0.00 0.02 0.00 0.00 54.13 54.74 2kbt s LEU 803 Cb -0.10 -3.03 0.15 0.00 0.02 0.00 0.00 46.19 43.22 2kbt s LEU 803 CO 0.22 -0.03 0.51 -0.75 0.02 0.00 0.00 176.35 176.31 2kbt s LYS 804 N -3.48 0.46 0.07 1.70 2.36 -1.26 -2.06 119.74 117.53 2kbt s LYS 804 Ca 0.36 0.93 -0.33 0.00 -2.55 0.00 0.00 55.97 54.38 2kbt s LYS 804 Cb -0.11 0.24 -0.18 0.00 -1.05 0.00 0.00 37.83 36.73 2kbt s LYS 804 CO 0.29 -0.51 0.82 0.39 1.55 0.00 0.00 175.35 177.89 2kbt n GLU 805 N 5.41 0.00 -0.41 4.03 1.02 -1.26 0.16 120.64 129.58 2kbt n GLU 805 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2kbt n GLU 805 Cb 0.50 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 2kbt n GLU 805 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbt n GLY 806 N 1.58 0.89 3.94 0.62 0.00 -1.12 -4.97 105.19 106.13 2kbt n GLY 806 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2kbt n GLY 806 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbt s ASP 807 N -3.00 5.78 0.04 1.61 1.11 0.12 -4.95 116.67 117.38 2kbt s ASP 807 Ca 0.00 -0.26 0.06 0.00 0.18 0.00 0.00 52.55 52.53 2kbt s ASP 807 Cb 0.00 -1.22 -0.03 0.00 1.07 0.00 0.00 42.92 42.74 2kbt s ASP 807 CO 0.00 -0.36 -0.12 0.27 1.18 0.00 0.00 175.17 176.14 2kbt s ILE 808 N -2.19 3.22 -0.24 0.77 -0.00 -1.26 -0.11 121.20 121.39 2kbt s ILE 808 Ca 0.42 -1.04 -0.01 0.00 -0.00 0.00 0.00 60.65 60.03 2kbt s ILE 808 Cb -0.08 -2.40 0.03 0.00 -0.00 0.00 0.00 42.46 40.00 2kbt s ILE 808 CO 0.29 0.32 -0.08 -0.63 -0.00 0.00 0.00 174.94 174.85 2kbt s ILE 809 N -1.00 2.77 -0.24 8.37 1.09 0.30 -4.79 121.20 127.70 2kbt s ILE 809 Ca 0.17 -1.03 -0.29 0.00 -1.10 0.00 0.00 60.65 58.40 2kbt s ILE 809 Cb -0.11 -2.39 -0.02 0.00 -1.06 0.00 0.00 42.46 38.88 2kbt s ILE 809 CO 0.08 0.23 1.61 -0.75 -0.10 0.00 0.00 174.94 176.01 2kbt s LYS 810 N 1.31 3.75 -0.22 2.79 2.47 -1.05 0.35 119.74 129.14 2kbt s LYS 810 Ca 0.00 1.59 -0.29 0.00 -1.56 0.00 0.00 55.97 55.71 2kbt s LYS 810 Cb -0.16 -4.04 -0.01 0.00 -1.46 0.00 0.00 37.83 32.15 2kbt s LYS 810 CO -0.05 -1.35 1.37 0.42 0.16 0.00 0.00 175.35 175.89 2kbt s ILE 811 N 5.33 4.08 -0.15 5.43 -1.09 -1.18 -2.64 121.20 130.98 2kbt s ILE 811 Ca 0.71 1.26 -0.10 0.00 -2.23 0.00 0.00 60.65 60.29 2kbt s ILE 811 Cb -0.24 -3.97 -0.07 0.00 -1.58 0.00 0.00 42.46 36.60 2kbt s ILE 811 CO 0.29 -0.29 -0.23 0.18 -1.23 0.00 0.00 174.94 173.66 2kbt n LEU 812 N 7.36 1.41 -4.44 2.97 4.77 0.11 -4.79 117.00 124.38 2kbt n LEU 812 Ca 0.15 0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 2kbt n LEU 812 Cb 0.45 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 2kbt n LEU 812 CO 0.61 0.10 -0.37 0.21 -1.33 0.00 0.00 177.39 176.61 2kbt s ASN 813 N -6.40 2.93 -0.48 -1.43 2.47 -0.30 -4.98 114.94 106.74 2kbt s ASN 813 Ca -0.23 -1.18 0.03 0.00 0.42 0.00 0.00 52.86 51.90 2kbt s ASN 813 Cb 0.07 -0.20 0.16 0.00 -1.45 0.00 0.00 41.25 39.84 2kbt s ASN 813 CO 0.31 -0.31 0.34 -0.54 -3.72 0.00 0.00 177.10 173.18 2kbt s LYS 814 N -3.70 1.30 -0.94 0.43 1.02 -1.26 -2.47 119.74 114.11 2kbt s LYS 814 Ca 0.30 -2.29 -0.24 0.00 0.02 0.00 0.00 55.97 53.75 2kbt s LYS 814 Cb 0.03 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2kbt s LYS 814 CO 0.13 -1.30 1.75 0.15 -0.92 0.00 0.00 175.35 175.15 2kbt s LYS 815 N -0.13 2.96 0.59 1.68 -0.14 -1.15 -4.72 119.74 118.82 2kbt s LYS 815 Ca 0.27 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 2kbt s LYS 815 Cb -0.06 -5.16 0.00 0.00 -1.68 0.00 0.00 37.83 30.92 2kbt s LYS 815 CO -0.13 -2.92 0.00 0.41 -0.76 0.00 0.00 175.35 171.95 2kbt n GLY 816 N 6.85 -4.16 0.19 -3.33 0.00 -1.26 -3.56 105.19 99.92 2kbt n GLY 816 Ca 0.37 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.75 2kbt n GLY 816 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2kbt h GLN 817 N 0.49 0.00 -2.66 1.61 3.07 -1.92 -3.33 115.11 112.37 2kbt h GLN 817 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 58.13 2kbt h GLN 817 Cb 0.78 0.00 -0.42 0.00 0.08 0.00 0.00 27.48 27.92 2kbt h GLN 817 CO 0.00 0.00 -0.56 1.04 0.09 0.00 0.00 178.83 179.40 2kbt n GLN 818 N -2.69 2.22 0.00 0.06 6.02 -1.26 -4.93 117.38 116.80 2kbt n GLN 818 Ca 0.02 -4.59 0.00 0.00 -0.01 0.00 0.00 57.00 52.43 2kbt n GLN 818 Cb 0.34 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.32 2kbt n GLN 818 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbt n GLY 819 N 1.42 -0.51 3.30 1.08 0.00 -1.25 -5.16 105.19 104.07 2kbt n GLY 819 Ca 0.25 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.73 2kbt n GLY 819 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2kbt s TRP 820 N 1.92 1.17 0.03 1.61 -2.14 -1.23 -4.02 118.94 116.28 2kbt s TRP 820 Ca 0.00 -1.34 0.06 0.00 2.66 0.00 0.00 56.10 57.47 2kbt s TRP 820 Cb 0.00 -0.45 -0.02 0.00 -3.10 0.00 0.00 33.47 29.90 2kbt s TRP 820 CO 0.00 -0.78 -0.16 -1.58 -2.66 0.00 0.00 176.95 171.76 2kbt s TRP 821 N -3.89 1.43 -0.54 1.66 0.51 0.73 -2.96 118.94 115.90 2kbt s TRP 821 Ca 0.36 -0.35 -0.19 0.00 -2.12 0.00 0.00 56.10 53.81 2kbt s TRP 821 Cb 0.04 -0.86 0.08 0.00 -0.81 0.00 0.00 33.47 31.92 2kbt s TRP 821 CO 0.16 0.05 0.65 0.50 -0.51 0.00 0.00 176.95 177.79 2kbt s ARG 822 N -1.05 3.09 0.20 4.98 3.52 -1.03 -2.47 118.95 126.18 2kbt s ARG 822 Ca 0.04 -1.07 0.02 0.00 -0.13 0.00 0.00 55.73 54.59 2kbt s ARG 822 Cb -0.08 -4.16 -0.01 0.00 -1.56 0.00 0.00 34.95 29.14 2kbt s ARG 822 CO 0.01 -1.34 0.07 0.41 -0.81 0.00 0.00 175.30 173.64 2kbt n GLY 823 N 5.22 3.70 3.29 8.12 0.00 -1.20 -0.71 105.19 123.61 2kbt n GLY 823 Ca -0.08 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 2kbt n GLY 823 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kbt s GLU 824 N -2.76 1.23 -0.25 1.61 -1.05 -1.08 -2.49 118.70 113.91 2kbt s GLU 824 Ca 0.09 -1.46 -0.10 0.00 -0.15 0.00 0.00 54.97 53.35 2kbt s GLU 824 Cb 0.00 0.32 0.10 0.00 -0.44 0.00 0.00 34.13 34.11 2kbt s GLU 824 CO 0.07 -0.43 0.55 0.42 0.95 0.00 0.00 175.26 176.82 2kbt s ILE 825 N -4.09 -0.54 -2.11 1.83 1.01 0.42 -2.53 121.20 115.19 2kbt s ILE 825 Ca 0.31 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2kbt s ILE 825 Cb 0.05 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.68 2kbt s ILE 825 CO 0.08 0.03 0.00 -1.22 0.00 0.00 0.00 174.94 173.83 2kbt n TYR 826 N 5.01 -0.07 -0.32 3.97 4.01 -1.26 0.18 117.16 128.68 2kbt n TYR 826 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2kbt n TYR 826 Cb 0.52 -3.38 0.00 0.00 -0.31 0.00 0.00 39.34 36.17 2kbt n TYR 826 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kbt n GLY 827 N -0.38 0.83 3.43 2.72 0.00 -1.26 -5.05 105.19 105.48 2kbt n GLY 827 Ca -0.20 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2kbt n GLY 827 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbt s ARG 828 N -0.67 3.18 0.41 1.61 0.52 0.13 -5.08 118.95 119.05 2kbt s ARG 828 Ca 0.00 -0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 54.30 2kbt s ARG 828 Cb 0.00 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 2kbt s ARG 828 CO 0.00 -0.53 0.73 0.42 0.02 0.00 0.00 175.30 175.94 2kbt s ILE 829 N 1.61 4.89 -2.12 1.52 -1.09 -1.26 -0.44 121.20 124.31 2kbt s ILE 829 Ca 0.04 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2kbt s ILE 829 Cb -0.18 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 2kbt s ILE 829 CO 0.07 -0.62 0.00 0.61 -1.23 0.00 0.00 174.94 173.77 2kbt n GLY 830 N -1.64 -1.32 3.35 6.18 0.00 -1.04 -4.61 105.19 106.11 2kbt n GLY 830 Ca 0.01 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2kbt n GLY 830 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kbt s TRP 831 N -2.97 2.23 0.01 1.61 0.52 -1.24 -3.21 118.94 115.89 2kbt s TRP 831 Ca 0.00 -0.40 -0.20 0.00 0.02 0.00 0.00 56.10 55.52 2kbt s TRP 831 Cb 0.00 -1.28 0.04 0.00 -1.15 0.00 0.00 33.47 31.08 2kbt s TRP 831 CO 0.00 0.21 0.44 -0.59 0.02 0.00 0.00 176.95 177.03 2kbt s PHE 832 N -0.92 -0.32 0.45 -1.98 -0.71 -1.03 -0.17 117.98 113.29 2kbt s PHE 832 Ca 0.12 0.43 -0.22 0.00 -1.04 0.00 0.00 56.93 56.22 2kbt s PHE 832 Cb -0.10 0.23 -0.09 0.00 -1.21 0.00 0.00 43.02 41.85 2kbt s PHE 832 CO 0.04 -0.53 1.05 -1.25 -1.34 0.00 0.00 175.22 173.18 2kbt s PRO 833 N -1.88 3.95 0.00 1.99 0.04 -1.26 -0.19 135.00 137.64 2kbt s PRO 833 Ca -0.09 1.43 0.21 0.00 0.04 0.00 0.00 61.00 62.59 2kbt s PRO 833 Cb -0.02 -2.28 0.87 0.00 0.04 0.00 0.00 34.50 33.11 2kbt s PRO 833 CO 0.02 -0.32 1.61 0.45 0.04 0.00 0.00 177.00 178.80 2kbt n SER 834 N -0.59 1.27 -0.01 6.66 2.88 -1.26 -3.15 113.62 119.42 2kbt n SER 834 Ca 0.07 -1.62 0.10 0.00 -1.33 0.00 0.00 58.87 56.10 2kbt n SER 834 Cb 0.51 -0.07 -0.11 0.00 -0.75 0.00 0.00 64.21 63.79 2kbt n SER 834 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2kbt n ASN 835 N 0.05 1.00 -0.33 -3.46 4.13 -1.26 -4.09 115.26 111.31 2kbt n ASN 835 Ca 0.16 -0.99 0.07 0.00 1.68 0.00 0.00 54.58 55.50 2kbt n ASN 835 Cb 0.27 0.98 -0.00 0.00 -1.54 0.00 0.00 39.78 39.49 2kbt n ASN 835 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2kbt n TYR 836 N -1.48 0.00 -4.71 3.10 4.02 -1.19 -5.00 117.16 111.91 2kbt n TYR 836 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.60 2kbt n TYR 836 Cb 0.33 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.58 2kbt n TYR 836 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2kbt s VAL 837 N -1.72 1.16 0.46 -0.72 -7.23 -1.24 -0.44 120.40 110.68 2kbt s VAL 837 Ca 0.12 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.39 2kbt s VAL 837 Cb 0.11 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2kbt s VAL 837 CO 0.36 0.00 0.27 -1.61 -0.31 0.00 0.00 175.10 173.81 2kbt s GLU 838 N -3.91 2.29 -0.14 4.82 2.02 0.12 -4.77 118.70 119.12 2kbt s GLU 838 Ca 0.06 -1.88 -0.09 0.00 0.02 0.00 0.00 54.97 53.09 2kbt s GLU 838 Cb 0.01 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.23 2kbt s GLU 838 CO 0.04 -0.30 0.35 -1.21 0.02 0.00 0.00 175.26 174.16 2kbt s GLU 839 N -4.06 0.34 -0.06 1.61 8.01 -1.26 -3.56 118.70 119.72 2kbt s GLU 839 Ca 0.38 0.66 0.00 0.00 0.01 0.00 0.00 54.97 56.02 2kbt s GLU 839 Cb 0.01 -0.02 0.00 0.00 -4.31 0.00 0.00 34.13 29.81 2kbt s GLU 839 CO 0.22 -0.14 0.00 -3.47 0.01 0.00 0.00 175.26 171.88 2kbt n ASP 840 N 4.03 -1.14 -0.22 -0.19 2.03 -1.26 -4.70 116.55 115.10 2kbt n ASP 840 Ca -0.22 0.48 0.11 0.00 0.52 0.00 0.00 54.79 55.67 2kbt n ASP 840 Cb 0.55 -1.11 0.39 0.00 -0.72 0.00 0.00 41.12 40.23 2kbt n ASP 840 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2kbt h TYR 841 N 0.00 0.73 -2.29 -0.67 -0.00 -1.91 -3.42 116.97 109.42 2kbt h TYR 841 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 2kbt h TYR 841 Cb 1.00 -0.23 -0.23 0.00 0.00 0.00 0.00 36.73 37.26 2kbt h TYR 841 CO 0.88 0.31 -0.07 -1.54 -0.00 0.00 0.00 178.16 177.74 2kbt s SER 842 N -5.96 -0.70 -0.28 0.10 1.04 -1.26 -5.16 113.70 101.49 2kbt s SER 842 Ca -0.09 1.22 -0.17 0.00 0.48 0.00 0.00 55.95 57.39 2kbt s SER 842 Cb 0.21 1.16 0.09 0.00 0.10 0.00 0.00 66.02 67.59 2kbt s SER 842 CO 0.78 -0.21 0.76 -0.70 0.98 0.00 0.00 173.24 174.85 2kbt s GLU 843 N 0.97 0.64 -1.25 4.02 2.12 -1.26 -4.97 118.70 118.97 2kbt s GLU 843 Ca -0.05 1.08 -0.08 0.00 0.36 0.00 0.00 54.97 56.27 2kbt s GLU 843 Cb -0.05 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 2kbt s GLU 843 CO -0.09 -0.13 0.69 0.98 -0.54 0.00 0.00 175.26 176.18 2kbt n TYR 844 N 4.01 -1.90 -0.89 5.30 9.36 -1.26 -4.92 117.16 126.86 2kbt n TYR 844 Ca -0.19 0.68 -0.32 0.00 3.32 0.00 0.00 57.90 61.39 2kbt n TYR 844 Cb 0.58 -3.90 0.15 0.00 -0.63 0.00 0.00 39.34 35.54 2kbt n TYR 844 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kbt s LEU 845 N -6.56 2.97 0.00 2.98 1.43 -1.26 -5.02 118.68 113.22 2kbt s LEU 845 Ca 0.21 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 2kbt s LEU 845 Cb -0.07 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.58 2kbt s LEU 845 CO 0.84 -2.87 0.00 -0.81 0.23 0.00 0.00 176.35 173.74 2kbt n PRO 846 N -3.84 -0.04 -2.62 1.29 -0.04 -1.26 -4.89 135.00 123.59 2kbt n PRO 846 Ca 0.12 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 2kbt n PRO 846 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 2kbt n PRO 846 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2kbt s GLU 847 N -2.09 3.91 0.00 0.54 2.02 -1.26 -5.24 118.70 116.59 2kbt s GLU 847 Ca 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.10 2kbt s GLU 847 Cb 0.00 -5.44 0.00 0.00 0.10 0.00 0.00 34.13 28.79 2kbt s GLU 847 CO 0.00 -2.19 0.35 2.41 0.02 0.00 0.00 175.26 175.85