#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 0.20 -1.17 1.61 -0.04 -1.26 -2.80 135.00 131.54 2kbt n PRO 781 Ca 0.00 0.09 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 2kbt n PRO 781 Cb 0.00 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.68 4.98 3.32 0.55 0.00 -1.26 -5.03 105.19 108.44 2kbt n GLY 782 Ca 0.09 -1.44 -0.56 0.00 0.00 0.00 0.00 46.02 44.11 2kbt n GLY 782 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kbt n THR 783 N -1.08 0.06 0.15 2.61 -1.04 -1.12 -4.88 114.28 108.97 2kbt n THR 783 Ca 0.51 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 62.45 2kbt n THR 783 Cb 1.26 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.74 2kbt n THR 783 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 2kbt h PHE 784 N 2.79 -0.36 0.00 -1.42 -1.00 -1.89 -3.50 116.94 111.55 2kbt h PHE 784 Ca -0.48 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.29 2kbt h PHE 784 Cb 1.36 0.12 0.00 0.00 3.61 0.00 0.00 35.95 41.04 2kbt h PHE 784 CO 0.54 -0.23 0.00 0.41 -1.61 0.00 0.00 178.31 177.42 2kbt n GLY 785 N -0.16 -1.26 3.67 -1.45 0.00 -1.26 -5.05 105.19 99.67 2kbt n GLY 785 Ca -0.05 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.24 2.61 -4.23 -1.26 -3.05 115.64 109.46 2kbt s THR 786 Ca 0.00 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 2kbt s THR 786 Cb 0.00 -2.43 0.10 0.00 1.34 0.00 0.00 72.50 71.51 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 -3.36 -0.12 -0.16 3.99 0.00 0.13 -4.04 121.76 118.19 2kbt s ALA 787 Ca 0.20 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.69 2kbt s ALA 787 Cb -0.03 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 2kbt s ALA 787 CO 0.12 -1.43 1.59 0.21 0.00 0.00 0.00 175.76 176.25 2kbt s LYS 788 N 2.28 3.96 0.23 0.00 2.20 0.44 0.38 119.74 129.23 2kbt s LYS 788 Ca 0.08 1.83 -0.31 0.00 -0.36 0.00 0.00 55.97 57.21 2kbt s LYS 788 Cb -0.15 -3.99 -0.11 0.00 -1.51 0.00 0.00 37.83 32.07 2kbt s LYS 788 CO -0.22 -1.10 1.53 0.00 -0.36 0.00 0.00 175.35 175.20 2kbt s ALA 789 N 4.68 3.72 -1.76 3.13 0.00 0.16 -0.85 121.76 130.84 2kbt s ALA 789 Ca 0.70 1.42 0.15 0.00 0.00 0.00 0.00 51.96 54.24 2kbt s ALA 789 Cb -0.27 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.33 2kbt s ALA 789 CO 0.28 -0.83 0.93 0.54 0.00 0.00 0.00 175.76 176.68 2kbt n ARG 790 N 2.84 1.34 -3.64 0.00 5.12 0.71 -3.29 116.66 119.74 2kbt n ARG 790 Ca 0.10 -1.22 -0.06 0.00 -1.93 0.00 0.00 57.85 54.73 2kbt n ARG 790 Cb 0.39 -1.28 -0.07 0.00 -1.16 0.00 0.00 32.46 30.34 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 -1.44 -1.09 -0.09 -1.55 1.51 -1.11 -4.89 117.35 108.69 2kbt s TYR 791 Ca 0.16 2.12 -0.29 0.00 -1.01 0.00 0.00 57.07 58.05 2kbt s TYR 791 Cb 0.13 0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 42.55 2kbt s TYR 791 CO 0.25 -0.54 1.98 0.16 -1.11 0.00 0.00 175.55 176.28 2kbt s ASP 792 N 1.82 6.14 -0.31 2.29 3.84 -1.26 -4.48 116.67 124.71 2kbt s ASP 792 Ca -0.09 2.25 -0.07 0.00 -0.00 0.00 0.00 52.55 54.63 2kbt s ASP 792 Cb -0.06 -2.52 0.01 0.00 -1.38 0.00 0.00 42.92 38.97 2kbt s ASP 792 CO -0.19 -1.36 0.10 0.12 -0.00 0.00 0.00 175.17 173.83 2kbt s PHE 793 N 5.75 3.17 -0.51 2.11 5.36 -1.03 -4.93 117.98 127.90 2kbt s PHE 793 Ca 0.89 -0.99 -0.28 0.00 -0.96 0.00 0.00 56.93 55.59 2kbt s PHE 793 Cb -0.36 -2.28 0.03 0.00 -0.34 0.00 0.00 43.02 40.07 2kbt s PHE 793 CO 0.37 -0.59 1.10 0.00 -1.46 0.00 0.00 175.22 174.65 2kbt s ALA 795 N 4.43 2.49 0.66 0.00 0.00 -1.26 -4.80 121.76 123.27 2kbt s ALA 795 Ca 0.43 -0.33 0.37 0.00 0.00 0.00 0.00 51.96 52.44 2kbt s ALA 795 Cb -0.08 -4.18 2.00 0.00 0.00 0.00 0.00 23.12 20.87 2kbt s ALA 795 CO 0.28 -3.34 2.13 0.07 0.00 0.00 0.00 175.76 174.90 2kbt h ARG 796 N 13.79 0.00 -2.69 0.00 0.11 -1.92 -3.44 114.38 120.23 2kbt h ARG 796 Ca -0.28 0.00 0.11 0.00 0.10 0.00 0.00 59.98 59.91 2kbt h ARG 796 Cb 1.16 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.18 2kbt h ARG 796 CO 1.15 0.00 0.37 -0.51 0.10 0.00 0.00 179.97 181.08 2kbt s ASP 797 N -4.76 -0.17 0.40 0.08 1.11 -1.26 -5.00 116.67 107.08 2kbt s ASP 797 Ca -0.04 -0.60 0.26 0.00 0.18 0.00 0.00 52.55 52.34 2kbt s ASP 797 Cb 0.11 0.63 1.40 0.00 1.07 0.00 0.00 42.92 46.12 2kbt s ASP 797 CO 0.34 -1.18 1.78 0.08 1.18 0.00 0.00 175.17 177.36 2kbt h ARG 798 N 2.00 0.00 0.00 8.23 -0.00 -1.94 0.21 114.38 122.89 2kbt h ARG 798 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.75 2kbt h ARG 798 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2kbt h ARG 798 CO 0.27 0.00 0.00 -1.13 -0.00 0.00 0.00 179.97 179.11 2kbt n SER 799 N -2.42 0.00 -4.28 0.08 3.41 -1.26 -4.52 113.62 104.63 2kbt n SER 799 Ca -0.02 0.25 -0.23 0.00 -0.26 0.00 0.00 58.87 58.61 2kbt n SER 799 Cb 0.08 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.76 1.10 0.05 4.33 2.56 0.75 -3.57 118.70 121.17 2kbt s GLU 800 Ca 0.12 -1.15 -0.20 0.00 0.00 0.00 0.00 54.97 53.73 2kbt s GLU 800 Cb 0.10 -1.35 -0.06 0.00 2.00 0.00 0.00 34.13 34.82 2kbt s GLU 800 CO 0.26 0.31 0.60 -1.17 -0.56 0.00 0.00 175.26 174.70 2kbt s LEU 801 N -1.90 4.49 -0.69 2.70 0.20 0.55 -4.30 118.68 119.73 2kbt s LEU 801 Ca 0.06 1.27 -0.26 0.00 0.69 0.00 0.00 54.13 55.88 2kbt s LEU 801 Cb -0.10 -2.95 0.04 0.00 -0.43 0.00 0.00 46.19 42.75 2kbt s LEU 801 CO 0.04 0.20 1.20 -0.94 -0.29 0.00 0.00 176.35 176.57 2kbt s SER 802 N -0.76 6.22 0.32 3.68 1.04 -1.26 -4.39 113.70 118.56 2kbt s SER 802 Ca 0.31 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.29 2kbt s SER 802 Cb -0.19 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 2kbt s SER 802 CO 0.19 -1.69 0.56 -0.76 0.98 0.00 0.00 173.24 172.52 2kbt s LEU 803 N 5.28 4.01 -0.28 2.42 1.02 -0.89 -4.88 118.68 125.36 2kbt s LEU 803 Ca 0.34 0.61 -0.03 0.00 0.02 0.00 0.00 54.13 55.08 2kbt s LEU 803 Cb -0.09 -3.46 0.16 0.00 0.02 0.00 0.00 46.19 42.82 2kbt s LEU 803 CO 0.16 -0.26 0.52 -0.75 0.02 0.00 0.00 176.35 176.04 2kbt s LYS 804 N -3.94 0.48 0.06 1.70 2.36 -1.26 -2.47 119.74 116.68 2kbt s LYS 804 Ca 0.42 0.88 -0.34 0.00 -2.55 0.00 0.00 55.97 54.39 2kbt s LYS 804 Cb -0.10 0.22 -0.18 0.00 -1.05 0.00 0.00 37.83 36.72 2kbt s LYS 804 CO 0.34 -0.58 0.83 0.39 1.55 0.00 0.00 175.35 177.88 2kbt n GLU 805 N 5.41 0.00 -0.33 4.03 1.02 -1.26 0.23 120.64 129.73 2kbt n GLU 805 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2kbt n GLU 805 Cb 0.50 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.96 3.86 0.62 0.00 -1.21 -4.98 105.19 106.01 2kbt n GLY 806 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.99 5.71 -0.07 1.61 -0.00 0.13 -4.98 116.67 116.10 2kbt s ASP 807 Ca 0.00 -0.17 0.01 0.00 -0.00 0.00 0.00 52.55 52.39 2kbt s ASP 807 Cb 0.00 -1.51 -0.03 0.00 -0.00 0.00 0.00 42.92 41.38 2kbt s ASP 807 CO 0.00 -0.04 -0.07 0.27 -0.00 0.00 0.00 175.17 175.33 2kbt s ILE 808 N -2.08 3.67 -0.32 0.77 -0.00 -1.26 -0.67 121.20 121.31 2kbt s ILE 808 Ca 0.33 -0.49 -0.09 0.00 -0.00 0.00 0.00 60.65 60.40 2kbt s ILE 808 Cb -0.08 -2.50 0.01 0.00 -0.00 0.00 0.00 42.46 39.89 2kbt s ILE 808 CO 0.26 0.60 0.14 -0.63 -0.00 0.00 0.00 174.94 175.31 2kbt s ILE 809 N -0.81 4.39 -0.22 8.37 1.09 0.16 -4.80 121.20 129.39 2kbt s ILE 809 Ca 0.12 -0.63 -0.29 0.00 -1.10 0.00 0.00 60.65 58.75 2kbt s ILE 809 Cb -0.11 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 37.95 2kbt s ILE 809 CO 0.01 -0.02 1.69 -0.75 -0.10 0.00 0.00 174.94 175.78 2kbt s LYS 810 N 1.56 3.73 0.22 2.79 2.47 -0.44 0.21 119.74 130.28 2kbt s LYS 810 Ca 0.03 1.71 -0.30 0.00 -1.56 0.00 0.00 55.97 55.86 2kbt s LYS 810 Cb -0.18 -4.08 -0.08 0.00 -1.46 0.00 0.00 37.83 32.03 2kbt s LYS 810 CO 0.05 -1.38 1.07 0.42 0.16 0.00 0.00 175.35 175.67 2kbt s ILE 811 N 5.52 3.78 0.00 5.43 -1.09 -1.17 -1.12 121.20 132.55 2kbt s ILE 811 Ca 0.75 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.83 2kbt s ILE 811 Cb -0.26 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 2kbt s ILE 811 CO 0.31 0.34 0.00 0.18 -1.23 0.00 0.00 174.94 174.54 2kbt n LEU 812 N 1.81 0.34 -4.01 2.97 4.77 -0.70 -4.59 117.00 117.60 2kbt n LEU 812 Ca 0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2kbt n LEU 812 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 2kbt n LEU 812 CO 0.53 -0.12 -0.42 0.20 -1.33 0.00 0.00 177.39 176.26 2kbt s ASN 813 N -4.71 0.89 -0.51 -1.43 -0.87 -0.52 -4.30 114.94 103.48 2kbt s ASN 813 Ca 0.00 -0.18 0.04 0.00 -1.57 0.00 0.00 52.86 51.15 2kbt s ASN 813 Cb 0.00 -0.08 0.13 0.00 -0.02 0.00 0.00 41.25 41.28 2kbt s ASN 813 CO 0.00 0.06 0.27 -0.54 -2.57 0.00 0.00 177.10 174.33 2kbt s LYS 814 N -0.33 1.85 0.53 -0.60 1.02 -1.26 -1.27 119.74 119.68 2kbt s LYS 814 Ca 0.02 -2.54 0.45 0.00 0.02 0.00 0.00 55.97 53.92 2kbt s LYS 814 Cb -0.04 -3.09 1.67 0.00 -0.52 0.00 0.00 37.83 35.85 2kbt s LYS 814 CO -0.00 -1.14 1.59 0.87 -0.92 0.00 0.00 175.35 175.76 2kbt h LYS 815 N 6.46 0.01 0.00 1.68 1.79 -1.97 -3.45 116.57 121.09 2kbt h LYS 815 Ca -0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2kbt h LYS 815 Cb 0.89 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2kbt h LYS 815 CO 0.64 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 179.43 2kbt n GLY 816 N -1.82 -0.56 1.22 3.86 0.00 -1.26 -4.95 105.19 101.68 2kbt n GLY 816 Ca 0.42 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.56 2kbt n GLY 816 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kbt n GLN 817 N 0.00 2.57 -3.50 1.61 1.13 -1.26 -4.79 117.38 113.14 2kbt n GLN 817 Ca 0.00 -2.39 -0.19 0.00 -1.94 0.00 0.00 57.00 52.48 2kbt n GLN 817 Cb 0.00 -1.53 -0.13 0.00 0.11 0.00 0.00 30.24 28.68 2kbt n GLN 817 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2kbt s GLN 818 N -1.37 0.18 0.00 -1.09 -1.52 -1.26 -5.04 119.66 109.56 2kbt s GLN 818 Ca 0.42 0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.98 2kbt s GLN 818 Cb 0.24 -1.26 0.00 0.00 -0.22 0.00 0.00 33.01 31.77 2kbt s GLN 818 CO 0.32 -0.68 0.00 0.41 -0.25 0.00 0.00 175.29 175.10 2kbt n GLY 819 N 5.31 0.54 3.30 3.09 0.00 -1.26 -5.05 105.19 111.12 2kbt n GLY 819 Ca -0.06 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 1.17 -0.02 1.61 -2.14 -1.26 -3.97 118.94 114.32 2kbt s TRP 820 Ca 0.00 -1.34 0.05 0.00 2.66 0.00 0.00 56.10 57.47 2kbt s TRP 820 Cb 0.00 -0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 29.91 2kbt s TRP 820 CO 0.00 -0.78 -0.17 -1.58 -2.66 0.00 0.00 176.95 171.75 2kbt s TRP 821 N -3.89 1.62 -0.50 1.66 0.51 0.76 -4.06 118.94 115.04 2kbt s TRP 821 Ca 0.36 -0.37 -0.18 0.00 -2.12 0.00 0.00 56.10 53.79 2kbt s TRP 821 Cb 0.04 -1.06 0.06 0.00 -0.81 0.00 0.00 33.47 31.70 2kbt s TRP 821 CO 0.16 -0.08 0.56 0.50 -0.51 0.00 0.00 176.95 177.58 2kbt s ARG 822 N -0.24 3.08 0.00 4.98 3.00 -0.39 -2.35 118.95 127.03 2kbt s ARG 822 Ca 0.03 -1.01 0.00 0.00 -1.00 0.00 0.00 55.73 53.75 2kbt s ARG 822 Cb -0.09 -4.11 0.00 0.00 0.00 0.00 0.00 34.95 30.76 2kbt s ARG 822 CO 0.00 -1.17 0.00 0.41 0.00 0.00 0.00 175.30 174.55 2kbt n GLY 823 N 5.18 6.01 3.47 8.12 0.00 -1.20 -1.43 105.19 125.34 2kbt n GLY 823 Ca -0.08 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 2kbt n GLY 823 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbt s GLU 824 N 1.55 1.00 -0.17 1.61 2.12 -0.27 -3.06 118.70 121.48 2kbt s GLU 824 Ca 0.00 -0.32 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 2kbt s GLU 824 Cb 0.00 0.46 0.06 0.00 0.26 0.00 0.00 34.13 34.91 2kbt s GLU 824 CO 0.00 -0.43 0.40 0.42 -0.54 0.00 0.00 175.26 175.11 2kbt s ILE 825 N -3.19 -0.03 -1.92 -3.70 1.01 0.15 -1.32 121.20 112.20 2kbt s ILE 825 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2kbt s ILE 825 Cb -0.01 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2kbt s ILE 825 CO -0.09 0.04 0.00 -1.22 0.00 0.00 0.00 174.94 173.67 2kbt n TYR 826 N 4.28 -0.29 -0.59 3.97 4.01 -1.26 0.31 117.16 127.58 2kbt n TYR 826 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2kbt n TYR 826 Cb 0.55 -3.31 0.00 0.00 -0.31 0.00 0.00 39.34 36.27 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 -0.46 0.66 3.37 2.72 0.00 -1.26 -5.04 105.19 105.18 2kbt n GLY 827 Ca -0.19 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.85 3.18 0.41 1.61 0.52 0.15 -5.09 118.95 118.88 2kbt s ARG 828 Ca 0.00 -0.80 -0.08 0.00 -0.52 0.00 0.00 55.73 54.33 2kbt s ARG 828 Cb 0.00 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 2kbt s ARG 828 CO 0.00 -0.42 0.74 0.42 0.02 0.00 0.00 175.30 176.06 2kbt s ILE 829 N 1.53 4.85 -1.50 1.52 -1.09 -1.26 -0.67 121.20 124.58 2kbt s ILE 829 Ca 0.03 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 2kbt s ILE 829 Cb -0.17 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2kbt s ILE 829 CO 0.03 -0.58 0.00 0.61 -1.23 0.00 0.00 174.94 173.77 2kbt n GLY 830 N -1.51 -1.28 3.20 6.18 0.00 -1.17 -4.62 105.19 106.00 2kbt n GLY 830 Ca 0.01 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.00 1.54 -0.00 1.61 0.52 -1.23 -3.23 118.94 115.14 2kbt s TRP 831 Ca 0.00 -0.37 -0.16 0.00 0.02 0.00 0.00 56.10 55.59 2kbt s TRP 831 Cb 0.00 -0.91 0.03 0.00 -1.15 0.00 0.00 33.47 31.44 2kbt s TRP 831 CO 0.00 0.08 0.34 -0.59 0.02 0.00 0.00 176.95 176.79 2kbt s PHE 832 N -0.86 -0.20 0.43 -1.98 -0.71 -0.99 -0.33 117.98 113.34 2kbt s PHE 832 Ca 0.05 0.26 -0.22 0.00 -1.04 0.00 0.00 56.93 55.97 2kbt s PHE 832 Cb -0.08 0.12 -0.09 0.00 -1.21 0.00 0.00 43.02 41.76 2kbt s PHE 832 CO 0.02 -0.43 1.05 -1.25 -1.34 0.00 0.00 175.22 173.26 2kbt s PRO 833 N -1.62 4.02 0.00 1.99 0.04 -1.26 -0.17 135.00 138.00 2kbt s PRO 833 Ca -0.11 1.46 0.20 0.00 0.04 0.00 0.00 61.00 62.59 2kbt s PRO 833 Cb -0.04 -2.36 1.00 0.00 0.04 0.00 0.00 34.50 33.14 2kbt s PRO 833 CO 0.03 -0.26 1.67 0.45 0.04 0.00 0.00 177.00 178.93 2kbt n SER 834 N -0.43 0.72 0.01 6.66 2.88 -1.26 -2.92 113.62 119.28 2kbt n SER 834 Ca 0.07 -1.52 0.11 0.00 -1.33 0.00 0.00 58.87 56.20 2kbt n SER 834 Cb 0.51 -0.04 0.01 0.00 -0.75 0.00 0.00 64.21 63.94 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 -0.32 0.68 -0.22 -3.46 3.02 -1.26 -3.98 115.26 109.71 2kbt n ASN 835 Ca 0.15 -0.47 0.05 0.00 -0.03 0.00 0.00 54.58 54.29 2kbt n ASN 835 Cb 0.18 0.83 -0.01 0.00 -0.61 0.00 0.00 39.78 40.17 2kbt n ASN 835 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2kbt n TYR 836 N -1.73 0.00 -4.73 3.10 4.02 -1.15 -5.01 117.16 111.66 2kbt n TYR 836 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.60 2kbt n TYR 836 Cb 0.39 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 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 -1.50 0.97 -0.18 -0.72 -7.23 -1.21 -0.21 120.40 110.32 2kbt s VAL 837 Ca 0.09 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.17 2kbt s VAL 837 Cb 0.09 -2.11 0.07 0.00 0.56 0.00 0.00 36.38 34.99 2kbt s VAL 837 CO 0.29 0.00 0.40 -1.61 -0.31 0.00 0.00 175.10 173.88 2kbt s GLU 838 N -3.85 0.35 0.48 4.82 2.02 -0.03 -4.78 118.70 117.70 2kbt s GLU 838 Ca 0.06 0.87 0.04 0.00 0.02 0.00 0.00 54.97 55.96 2kbt s GLU 838 Cb 0.01 0.09 -0.03 0.00 0.10 0.00 0.00 34.13 34.31 2kbt s GLU 838 CO 0.04 -0.20 0.10 -1.83 0.02 0.00 0.00 175.26 173.39 2kbt s GLU 839 N 1.86 2.16 -1.18 1.61 4.04 -1.26 0.17 118.70 126.10 2kbt s GLU 839 Ca -0.06 -2.19 -0.15 0.00 0.04 0.00 0.00 54.97 52.61 2kbt s GLU 839 Cb -0.10 -1.72 0.15 0.00 0.02 0.00 0.00 34.13 32.48 2kbt s GLU 839 CO -0.13 -0.29 0.38 -3.47 -1.84 0.00 0.00 175.26 169.91 2kbt n ASP 840 N -1.28 -1.63 -4.83 0.83 4.64 -1.26 -4.86 116.55 108.17 2kbt n ASP 840 Ca -0.10 -0.58 -0.36 0.00 -1.38 0.00 0.00 54.79 52.36 2kbt n ASP 840 Cb 0.66 -1.46 -0.06 0.00 -1.04 0.00 0.00 41.12 39.22 2kbt n ASP 840 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 2kbt s TYR 841 N -2.79 3.66 0.17 -0.67 -0.85 -1.26 -5.02 117.35 110.60 2kbt s TYR 841 Ca 0.52 1.15 -0.32 0.00 -0.52 0.00 0.00 57.07 57.90 2kbt s TYR 841 Cb -0.30 -2.43 -0.11 0.00 0.38 0.00 0.00 41.96 39.50 2kbt s TYR 841 CO 0.63 0.46 1.74 -1.54 -1.52 0.00 0.00 175.55 175.32 2kbt s SER 842 N -1.56 6.42 0.55 -0.18 1.04 -1.26 -4.99 113.70 113.71 2kbt s SER 842 Ca 0.36 2.80 -0.01 0.00 0.48 0.00 0.00 55.95 59.58 2kbt s SER 842 Cb -0.16 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.39 2kbt s SER 842 CO 0.19 -0.97 0.79 -0.70 0.98 0.00 0.00 173.24 173.54 2kbt s GLU 843 N 1.72 2.71 -0.43 4.02 2.12 -1.26 -5.05 118.70 122.53 2kbt s GLU 843 Ca 0.76 -0.51 0.10 0.00 0.36 0.00 0.00 54.97 55.69 2kbt s GLU 843 Cb -0.48 -2.43 0.36 0.00 0.26 0.00 0.00 34.13 31.84 2kbt s GLU 843 CO 0.33 -0.65 0.83 0.98 -0.54 0.00 0.00 175.26 176.22 2kbt n TYR 844 N -2.38 1.54 -1.19 5.30 4.19 -1.26 -5.11 117.16 118.25 2kbt n TYR 844 Ca 0.05 -3.75 -0.33 0.00 3.31 0.00 0.00 57.90 57.19 2kbt n TYR 844 Cb 0.59 -0.42 0.11 0.00 0.49 0.00 0.00 39.34 40.11 2kbt n TYR 844 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2kbt s LEU 845 N -2.85 3.13 0.71 2.98 1.43 -1.26 -4.99 118.68 117.83 2kbt s LEU 845 Ca 0.42 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.60 2kbt s LEU 845 Cb 0.34 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 42.01 2kbt s LEU 845 CO -0.09 -2.45 1.07 -2.16 0.23 0.00 0.00 176.35 172.94 2kbt s PRO 846 N -4.32 2.81 0.37 1.29 0.04 -1.26 -5.03 135.00 128.90 2kbt s PRO 846 Ca 0.69 0.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 2kbt s PRO 846 Cb -0.24 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 2kbt s PRO 846 CO 0.51 -1.18 0.89 -1.21 0.04 0.00 0.00 177.00 176.05 2kbt s GLU 847 N -5.06 4.27 0.00 4.56 2.02 -1.26 -5.31 118.70 117.91 2kbt s GLU 847 Ca 0.58 1.06 0.03 0.00 0.02 0.00 0.00 54.97 56.67 2kbt s GLU 847 Cb -0.14 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.69 2kbt s GLU 847 CO 0.55 0.11 0.61 0.25 0.02 0.00 0.00 175.26 176.80