#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbt s PRO 781 N 0.00 1.00 -0.30 1.61 0.04 -1.26 -5.04 135.00 131.05 2kbt s PRO 781 Ca 0.00 0.23 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 2kbt s PRO 781 Cb 0.00 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2kbt s PRO 781 CO 0.00 -2.28 0.10 0.20 0.04 0.00 0.00 177.00 175.05 2kbt s GLY 782 N -4.08 1.81 0.53 0.56 0.00 -1.26 -4.95 107.32 99.93 2kbt s GLY 782 Ca 0.65 -1.45 0.38 0.00 0.00 0.00 0.00 44.72 44.30 2kbt s GLY 782 CO 0.53 0.66 1.75 -0.84 0.00 0.00 0.00 173.10 175.20 2kbt h THR 783 N 5.83 0.32 0.00 0.90 2.02 -1.92 -3.24 112.91 116.82 2kbt h THR 783 Ca -0.31 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2kbt h THR 783 Cb 1.13 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2kbt h THR 783 CO 0.61 0.01 -0.07 0.49 0.37 0.00 0.00 175.52 176.92 2kbt n PHE 784 N -4.18 0.00 0.00 3.16 3.01 -1.26 -5.14 117.46 113.05 2kbt n PHE 784 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.76 2kbt n PHE 784 Cb 1.39 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.83 2kbt n PHE 784 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kbt n GLY 785 N 2.55 -1.06 3.45 1.37 0.00 -1.22 -5.05 105.19 105.22 2kbt n GLY 785 Ca -0.01 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 2kbt n GLY 785 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kbt n THR 786 N 0.00 0.00 -3.56 2.61 -2.24 -1.26 -3.40 114.28 106.43 2kbt n THR 786 Ca 0.00 -1.71 -0.17 0.00 -2.27 0.00 0.00 64.05 59.90 2kbt n THR 786 Cb 0.00 1.10 -0.13 0.00 -2.10 0.00 0.00 70.33 69.19 2kbt n THR 786 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kbt s ALA 787 N -2.71 -0.32 -0.28 6.98 0.00 0.18 -4.22 121.76 121.39 2kbt s ALA 787 Ca 0.28 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 2kbt s ALA 787 Cb -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2kbt s ALA 787 CO 0.20 -0.95 1.26 0.21 0.00 0.00 0.00 175.76 176.48 2kbt s LYS 788 N 2.34 3.99 0.03 0.00 2.20 -1.24 0.16 119.74 127.22 2kbt s LYS 788 Ca 0.05 1.30 -0.33 0.00 -0.36 0.00 0.00 55.97 56.63 2kbt s LYS 788 Cb -0.14 -3.84 -0.12 0.00 -1.51 0.00 0.00 37.83 32.22 2kbt s LYS 788 CO -0.10 -1.02 1.79 0.00 -0.36 0.00 0.00 175.35 175.67 2kbt n ALA 789 N 7.34 1.30 1.00 3.13 0.00 0.18 -2.16 120.51 131.31 2kbt n ALA 789 Ca 0.14 0.33 0.11 0.00 0.00 0.00 0.00 53.44 54.02 2kbt n ALA 789 Cb 0.46 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 2kbt n ALA 789 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kbt n ARG 790 N 5.60 0.86 -3.65 0.00 5.12 -0.63 -2.68 116.66 121.28 2kbt n ARG 790 Ca 0.20 -0.70 -0.07 0.00 -1.93 0.00 0.00 57.85 55.34 2kbt n ARG 790 Cb 0.31 -1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 30.05 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 -2.63 -0.99 0.05 -1.55 2.02 -1.13 -4.89 117.35 108.22 2kbt s TYR 791 Ca 0.16 1.96 -0.30 0.00 -0.37 0.00 0.00 57.07 58.51 2kbt s TYR 791 Cb 0.18 0.57 -0.09 0.00 -0.40 0.00 0.00 41.96 42.21 2kbt s TYR 791 CO 0.66 -0.51 1.92 0.16 -1.57 0.00 0.00 175.55 176.21 2kbt s ASP 792 N 1.78 6.45 -0.29 2.29 -4.77 -1.26 -4.51 116.67 116.36 2kbt s ASP 792 Ca -0.09 2.67 -0.04 0.00 -3.30 0.00 0.00 52.55 51.79 2kbt s ASP 792 Cb -0.07 -2.54 0.03 0.00 -1.09 0.00 0.00 42.92 39.25 2kbt s ASP 792 CO -0.18 -1.04 0.02 0.12 0.70 0.00 0.00 175.17 174.80 2kbt s PHE 793 N 4.04 3.16 -0.61 2.11 5.36 -1.04 -4.94 117.98 126.06 2kbt s PHE 793 Ca 0.86 -1.39 -0.27 0.00 -0.96 0.00 0.00 56.93 55.17 2kbt s PHE 793 Cb -0.43 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.12 2kbt s PHE 793 CO 0.40 -0.69 1.14 0.00 -1.46 0.00 0.00 175.22 174.61 2kbt s ALA 795 N 4.82 1.58 0.62 0.00 0.00 -1.26 -4.75 121.76 122.76 2kbt s ALA 795 Ca 0.37 -0.16 0.25 0.00 0.00 0.00 0.00 51.96 52.42 2kbt s ALA 795 Cb -0.09 -4.37 1.20 0.00 0.00 0.00 0.00 23.12 19.85 2kbt s ALA 795 CO 0.21 -4.58 1.64 0.07 0.00 0.00 0.00 175.76 173.10 2kbt h ARG 796 N 18.26 0.00 -3.35 0.00 0.11 -1.92 -3.42 114.38 124.07 2kbt h ARG 796 Ca -0.21 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.86 2kbt h ARG 796 Cb 1.22 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.23 2kbt h ARG 796 CO 1.15 0.00 0.03 0.16 0.10 0.00 0.00 179.97 181.42 2kbt s ASP 797 N -4.35 -0.18 0.45 0.08 3.84 -1.26 -5.01 116.67 110.24 2kbt s ASP 797 Ca -0.03 -0.74 0.31 0.00 -0.00 0.00 0.00 52.55 52.09 2kbt s ASP 797 Cb 0.12 0.64 1.62 0.00 -1.38 0.00 0.00 42.92 43.92 2kbt s ASP 797 CO 0.42 -1.20 1.93 -0.09 -0.00 0.00 0.00 175.17 176.23 2kbt h ARG 798 N 2.15 0.00 0.00 2.11 1.12 -1.97 0.16 114.38 117.95 2kbt h ARG 798 Ca -0.24 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.63 2kbt h ARG 798 Cb 1.25 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 2kbt h ARG 798 CO 0.31 0.00 0.00 -1.13 -3.11 0.00 0.00 179.97 176.04 2kbt n SER 799 N -2.59 0.58 -4.63 -3.80 3.41 -1.26 -4.70 113.62 100.63 2kbt n SER 799 Ca -0.02 0.62 -0.30 0.00 -0.26 0.00 0.00 58.87 58.92 2kbt n SER 799 Cb 0.07 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 63.18 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 -3.23 2.37 0.14 4.33 2.56 0.57 -3.20 118.70 122.23 2kbt s GLU 800 Ca 0.06 -0.91 -0.24 0.00 0.00 0.00 0.00 54.97 53.88 2kbt s GLU 800 Cb 0.10 -2.44 -0.08 0.00 2.00 0.00 0.00 34.13 33.72 2kbt s GLU 800 CO 0.41 0.53 0.75 -1.17 -0.56 0.00 0.00 175.26 175.22 2kbt s LEU 801 N -2.19 4.57 -0.55 2.70 0.20 0.46 -4.40 118.68 119.48 2kbt s LEU 801 Ca 0.23 1.58 -0.24 0.00 0.69 0.00 0.00 54.13 56.39 2kbt s LEU 801 Cb -0.11 -3.24 0.04 0.00 -0.43 0.00 0.00 46.19 42.45 2kbt s LEU 801 CO 0.15 0.20 0.92 -0.55 -0.29 0.00 0.00 176.35 176.78 2kbt s SER 802 N -1.03 6.33 0.29 3.68 0.15 -1.26 -4.29 113.70 117.57 2kbt s SER 802 Ca 0.35 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 2kbt s SER 802 Cb -0.22 -2.43 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 2kbt s SER 802 CO 0.25 -1.20 0.50 -0.76 1.20 0.00 0.00 173.24 173.23 2kbt s LEU 803 N 3.85 4.09 -0.26 3.45 1.02 -0.89 -4.89 118.68 125.05 2kbt s LEU 803 Ca 0.29 0.48 -0.03 0.00 0.02 0.00 0.00 54.13 54.89 2kbt s LEU 803 Cb -0.13 -3.30 0.15 0.00 0.02 0.00 0.00 46.19 42.92 2kbt s LEU 803 CO 0.19 -0.20 0.46 -0.75 0.02 0.00 0.00 176.35 176.07 2kbt s LYS 804 N -3.89 0.42 0.15 1.70 2.36 -1.26 -2.49 119.74 116.73 2kbt s LYS 804 Ca 0.40 0.78 -0.29 0.00 -2.55 0.00 0.00 55.97 54.31 2kbt s LYS 804 Cb -0.10 -0.01 -0.17 0.00 -1.05 0.00 0.00 37.83 36.50 2kbt s LYS 804 CO 0.33 -0.57 0.61 0.39 1.55 0.00 0.00 175.35 177.65 2kbt n GLU 805 N 5.39 0.00 -0.81 4.03 1.02 -1.26 -0.49 120.64 128.52 2kbt n GLU 805 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2kbt n GLU 805 Cb 0.50 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 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 1.79 0.64 3.69 0.62 0.00 -1.09 -4.99 105.19 105.86 2kbt n GLY 806 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.16 4.61 0.04 1.61 -0.00 0.35 -4.96 116.67 116.17 2kbt s ASP 807 Ca 0.00 -0.72 0.04 0.00 -0.00 0.00 0.00 52.55 51.87 2kbt s ASP 807 Cb 0.00 -0.78 -0.04 0.00 -0.00 0.00 0.00 42.92 42.10 2kbt s ASP 807 CO 0.00 -0.16 -0.05 0.27 -0.00 0.00 0.00 175.17 175.23 2kbt s ILE 808 N -2.38 3.77 -0.22 0.77 -0.00 -1.26 0.50 121.20 122.39 2kbt s ILE 808 Ca 0.35 -0.89 0.01 0.00 -0.00 0.00 0.00 60.65 60.12 2kbt s ILE 808 Cb -0.04 -2.71 0.03 0.00 -0.00 0.00 0.00 42.46 39.74 2kbt s ILE 808 CO 0.21 0.27 -0.14 -0.63 -0.00 0.00 0.00 174.94 174.66 2kbt s ILE 809 N -1.13 2.33 -0.32 8.37 1.09 0.41 -4.83 121.20 127.13 2kbt s ILE 809 Ca 0.20 -1.10 -0.29 0.00 -1.10 0.00 0.00 60.65 58.36 2kbt s ILE 809 Cb -0.11 -2.12 0.00 0.00 -1.06 0.00 0.00 42.46 39.17 2kbt s ILE 809 CO 0.12 0.33 1.31 -0.75 -0.10 0.00 0.00 174.94 175.84 2kbt s LYS 810 N 1.26 3.87 0.07 2.79 2.47 -1.16 0.48 119.74 129.51 2kbt s LYS 810 Ca 0.01 1.18 -0.31 0.00 -1.56 0.00 0.00 55.97 55.29 2kbt s LYS 810 Cb -0.15 -3.90 -0.06 0.00 -1.46 0.00 0.00 37.83 32.25 2kbt s LYS 810 CO -0.09 -1.19 1.32 0.42 0.16 0.00 0.00 175.35 175.98 2kbt s ILE 811 N 4.51 3.66 0.01 5.43 -1.09 -1.22 -2.64 121.20 129.86 2kbt s ILE 811 Ca 0.56 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 2kbt s ILE 811 Cb -0.16 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2kbt s ILE 811 CO 0.24 0.07 0.00 0.18 -1.23 0.00 0.00 174.94 174.20 2kbt n LEU 812 N 4.28 0.14 -4.39 2.97 4.77 -0.09 -4.59 117.00 120.08 2kbt n LEU 812 Ca 0.11 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.87 2kbt n LEU 812 Cb 0.44 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 2kbt n LEU 812 CO 0.57 -0.10 -0.49 0.21 -1.33 0.00 0.00 177.39 176.25 2kbt s ASN 813 N -5.12 3.12 -0.44 -1.43 2.47 -0.01 -4.93 114.94 108.60 2kbt s ASN 813 Ca 0.00 -0.92 0.09 0.00 0.42 0.00 0.00 52.86 52.45 2kbt s ASN 813 Cb 0.00 -0.22 0.33 0.00 -1.45 0.00 0.00 41.25 39.91 2kbt s ASN 813 CO 0.00 0.02 0.75 0.29 -3.72 0.00 0.00 177.10 174.44 2kbt n LYS 814 N -0.01 1.55 -1.47 0.43 4.76 -1.26 -1.84 118.16 120.31 2kbt n LYS 814 Ca -0.10 -3.78 -0.50 0.00 -2.87 0.00 0.00 58.31 51.06 2kbt n LYS 814 Cb 0.58 -1.79 -0.07 0.00 -1.84 0.00 0.00 35.03 31.91 2kbt n LYS 814 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kbt n LYS 815 N 0.36 1.21 0.00 1.97 5.02 -1.25 -4.65 118.16 120.82 2kbt n LYS 815 Ca 0.26 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2kbt n LYS 815 Cb 0.56 -2.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 2kbt n LYS 815 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kbt n GLY 816 N 6.36 -0.04 3.78 0.72 0.00 -1.26 -4.23 105.19 110.53 2kbt n GLY 816 Ca 0.39 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2kbt n GLY 816 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kbt s GLN 817 N 0.00 2.24 -0.88 1.61 0.00 -1.26 -4.62 119.66 116.75 2kbt s GLN 817 Ca 0.00 -1.93 -0.09 0.00 -0.00 0.00 0.00 55.36 53.33 2kbt s GLN 817 Cb 0.00 -1.97 0.09 0.00 0.00 0.00 0.00 33.01 31.13 2kbt s GLN 817 CO 0.00 -0.25 0.28 1.04 0.00 0.00 0.00 175.29 176.36 2kbt n GLN 818 N -1.35 -2.31 0.00 9.60 6.02 -1.26 -4.76 117.38 123.32 2kbt n GLN 818 Ca -0.03 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2kbt n GLN 818 Cb 0.65 -4.73 0.00 0.00 1.02 0.00 0.00 30.24 27.18 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 -0.81 1.52 3.30 1.08 0.00 -1.26 -5.05 105.19 103.96 2kbt n GLY 819 Ca 0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 1.74 1.16 -0.05 1.61 -2.14 -1.26 -3.78 118.94 116.22 2kbt s TRP 820 Ca 0.00 -1.34 0.02 0.00 2.66 0.00 0.00 56.10 57.44 2kbt s TRP 820 Cb 0.00 -0.44 0.01 0.00 -3.10 0.00 0.00 33.47 29.94 2kbt s TRP 820 CO 0.00 -0.78 -0.10 -1.58 -2.66 0.00 0.00 176.95 171.83 2kbt s TRP 821 N -3.90 1.16 -0.67 1.66 0.51 0.81 -3.88 118.94 114.64 2kbt s TRP 821 Ca 0.36 -0.38 -0.23 0.00 -2.12 0.00 0.00 56.10 53.74 2kbt s TRP 821 Cb 0.04 -0.88 0.07 0.00 -0.81 0.00 0.00 33.47 31.90 2kbt s TRP 821 CO 0.15 -0.21 0.99 0.50 -0.51 0.00 0.00 176.95 177.87 2kbt s ARG 822 N 0.60 3.12 0.00 4.98 3.52 -0.77 -2.72 118.95 127.68 2kbt s ARG 822 Ca -0.11 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 2kbt s ARG 822 Cb -0.14 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 2kbt s ARG 822 CO 0.02 -1.84 0.00 0.41 -0.81 0.00 0.00 175.30 173.08 2kbt n GLY 823 N 5.33 7.34 3.44 8.12 0.00 -1.21 -0.83 105.19 127.39 2kbt n GLY 823 Ca -0.03 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 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 1.18 1.19 -0.18 1.61 2.12 -1.08 -2.93 118.70 120.61 2kbt s GLU 824 Ca 0.00 -0.38 -0.09 0.00 0.36 0.00 0.00 54.97 54.85 2kbt s GLU 824 Cb 0.00 0.55 0.06 0.00 0.26 0.00 0.00 34.13 35.00 2kbt s GLU 824 CO 0.00 -0.51 0.42 0.42 -0.54 0.00 0.00 175.26 175.05 2kbt s ILE 825 N -3.44 -0.10 -1.91 -3.70 1.01 0.11 -3.00 121.20 110.18 2kbt s ILE 825 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2kbt s ILE 825 Cb -0.01 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2kbt s ILE 825 CO -0.11 0.04 0.00 -1.22 0.00 0.00 0.00 174.94 173.66 2kbt n TYR 826 N 4.40 -0.47 -0.72 3.97 4.01 -1.26 0.01 117.16 127.10 2kbt n TYR 826 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2kbt n TYR 826 Cb 0.55 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.08 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 -0.60 0.58 3.33 2.72 0.00 -1.26 -5.04 105.19 104.92 2kbt n GLY 827 Ca -0.21 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.13 3.06 0.43 1.61 0.52 0.10 -5.09 118.95 118.45 2kbt s ARG 828 Ca 0.00 -0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 2kbt s ARG 828 Cb 0.00 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 2kbt s ARG 828 CO 0.00 -0.44 0.76 0.42 0.02 0.00 0.00 175.30 176.05 2kbt s ILE 829 N 1.48 4.88 -1.48 1.52 -1.09 -1.26 -0.71 121.20 124.53 2kbt s ILE 829 Ca 0.02 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2kbt s ILE 829 Cb -0.17 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 2kbt s ILE 829 CO 0.02 -0.68 0.00 0.61 -1.23 0.00 0.00 174.94 173.66 2kbt n GLY 830 N -1.78 -1.25 3.19 6.18 0.00 -1.15 -4.64 105.19 105.74 2kbt n GLY 830 Ca 0.01 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 1.58 -0.00 1.61 0.52 -1.20 -3.28 118.94 115.17 2kbt s TRP 831 Ca 0.00 -0.33 -0.13 0.00 0.02 0.00 0.00 56.10 55.66 2kbt s TRP 831 Cb 0.00 -0.98 0.02 0.00 -1.15 0.00 0.00 33.47 31.36 2kbt s TRP 831 CO 0.00 0.02 0.28 -0.59 0.02 0.00 0.00 176.95 176.68 2kbt s PHE 832 N -0.59 -0.12 0.43 -1.98 -0.71 -1.10 -0.40 117.98 113.50 2kbt s PHE 832 Ca 0.06 0.14 -0.23 0.00 -1.04 0.00 0.00 56.93 55.86 2kbt s PHE 832 Cb -0.07 0.07 -0.09 0.00 -1.21 0.00 0.00 43.02 41.72 2kbt s PHE 832 CO 0.00 -0.39 1.05 -1.25 -1.34 0.00 0.00 175.22 173.29 2kbt s PRO 833 N -1.58 4.02 0.00 1.99 0.04 -1.26 -0.13 135.00 138.08 2kbt s PRO 833 Ca -0.12 1.46 0.20 0.00 0.04 0.00 0.00 61.00 62.59 2kbt s PRO 833 Cb -0.05 -2.37 0.99 0.00 0.04 0.00 0.00 34.50 33.11 2kbt s PRO 833 CO 0.02 -0.26 1.67 -1.13 0.04 0.00 0.00 177.00 177.35 2kbt n SER 834 N -0.41 0.74 -0.05 6.66 3.41 -1.25 -2.90 113.62 119.83 2kbt n SER 834 Ca 0.07 -1.52 0.11 0.00 -0.26 0.00 0.00 58.87 57.26 2kbt n SER 834 Cb 0.51 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2kbt n SER 834 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kbt n ASN 835 N -0.31 0.98 -0.46 4.04 4.13 -1.26 -3.99 115.26 118.40 2kbt n ASN 835 Ca 0.15 -0.88 0.06 0.00 1.68 0.00 0.00 54.58 55.60 2kbt n ASN 835 Cb 0.19 0.76 0.05 0.00 -1.54 0.00 0.00 39.78 39.24 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 -1.35 0.00 -4.39 3.10 4.02 -1.14 -5.01 117.16 112.39 2kbt n TYR 836 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.76 2kbt n TYR 836 Cb 0.34 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.62 2kbt n TYR 836 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2kbt n VAL 837 N 0.59 0.00 -4.52 -0.72 0.24 -1.24 -1.61 118.33 111.08 2kbt n VAL 837 Ca 0.07 -1.54 -0.24 0.00 -2.04 0.00 0.00 64.34 60.58 2kbt n VAL 837 Cb 0.29 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.02 2kbt n VAL 837 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2kbt s GLU 838 N -3.07 1.79 -0.11 7.34 0.41 -0.92 -4.77 118.70 119.37 2kbt s GLU 838 Ca 0.08 -2.03 -0.10 0.00 -0.41 0.00 0.00 54.97 52.51 2kbt s GLU 838 Cb 0.00 -1.06 0.03 0.00 -1.78 0.00 0.00 34.13 31.32 2kbt s GLU 838 CO 0.06 -0.20 0.30 -1.21 -0.49 0.00 0.00 175.26 173.71 2kbt s GLU 839 N -3.83 0.35 -0.05 1.61 0.41 -1.26 -3.62 118.70 112.31 2kbt s GLU 839 Ca 0.32 0.39 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 2kbt s GLU 839 Cb 0.08 0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 2kbt s GLU 839 CO 0.15 -0.04 0.00 -3.47 -0.49 0.00 0.00 175.26 171.41 2kbt n ASP 840 N 2.88 -1.11 -0.20 -0.19 4.64 -1.26 -4.71 116.55 116.59 2kbt n ASP 840 Ca -0.13 0.48 0.01 0.00 -1.38 0.00 0.00 54.79 53.77 2kbt n ASP 840 Cb 0.58 -1.09 0.26 0.00 -1.04 0.00 0.00 41.12 39.83 2kbt n ASP 840 CO 0.00 0.00 0.00 0.10 -0.82 0.00 0.00 177.20 176.48 2kbt h TYR 841 N 0.00 0.91 -2.73 -0.67 -0.00 -1.90 -3.43 116.97 109.16 2kbt h TYR 841 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 58.73 58.63 2kbt h TYR 841 Cb 0.99 -0.31 -0.22 0.00 0.00 0.00 0.00 36.73 37.20 2kbt h TYR 841 CO 0.88 0.57 -0.18 -1.54 -0.00 0.00 0.00 178.16 177.89 2kbt s SER 842 N -6.36 -0.38 -0.05 0.10 1.04 -1.26 -5.15 113.70 101.64 2kbt s SER 842 Ca -0.11 0.53 -0.19 0.00 0.48 0.00 0.00 55.95 56.67 2kbt s SER 842 Cb 0.18 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.86 2kbt s SER 842 CO 0.78 -0.34 0.52 -1.83 0.98 0.00 0.00 173.24 173.35 2kbt s GLU 843 N -0.61 4.27 -0.16 4.02 -1.05 -1.26 -4.96 118.70 118.94 2kbt s GLU 843 Ca -0.07 0.58 0.14 0.00 -0.15 0.00 0.00 54.97 55.47 2kbt s GLU 843 Cb -0.04 -3.36 0.40 0.00 -0.44 0.00 0.00 34.13 30.70 2kbt s GLU 843 CO 0.03 0.33 1.20 2.48 0.95 0.00 0.00 175.26 180.26 2kbt n TYR 844 N 2.96 0.00 -0.97 4.83 4.11 -1.26 -5.08 117.16 121.75 2kbt n TYR 844 Ca -0.08 -1.26 -0.35 0.00 -0.00 0.00 0.00 57.90 56.21 2kbt n TYR 844 Cb 0.51 -0.22 0.07 0.00 -0.00 0.00 0.00 39.34 39.70 2kbt n TYR 844 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2kbt n LEU 845 N -0.84 -3.47 -4.75 -3.48 7.99 -1.26 -4.86 117.00 106.33 2kbt n LEU 845 Ca 0.16 0.29 -0.41 0.00 -0.01 0.00 0.00 56.01 56.04 2kbt n LEU 845 Cb 0.77 -0.95 -0.04 0.00 -0.11 0.00 0.00 43.42 43.09 2kbt n LEU 845 CO -0.04 -4.96 0.80 -2.16 -1.51 0.00 0.00 177.39 169.52 2kbt s PRO 846 N -2.54 4.61 0.48 3.23 0.04 -1.26 -4.98 135.00 134.58 2kbt s PRO 846 Ca 0.48 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 63.06 2kbt s PRO 846 Cb -0.22 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 2kbt s PRO 846 CO 0.75 0.13 0.92 0.39 0.04 0.00 0.00 177.00 179.23 2kbt n GLU 847 N 1.93 1.12 0.00 4.56 1.02 -1.26 -5.32 120.64 122.69 2kbt n GLU 847 Ca 0.01 0.41 0.13 0.00 -0.02 0.00 0.00 57.16 57.70 2kbt n GLU 847 Cb 0.46 -2.01 0.79 0.00 -0.02 0.00 0.00 31.44 30.66 2kbt n GLU 847 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56