#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 2.99 -0.10 1.61 0.04 -1.26 -4.97 135.00 133.31 2kbt s PRO 781 Ca 0.00 -0.23 -0.02 0.00 0.04 0.00 0.00 61.00 60.79 2kbt s PRO 781 Cb 0.00 -4.71 -0.03 0.00 0.04 0.00 0.00 34.50 29.80 2kbt s PRO 781 CO 0.00 -2.60 -0.02 0.20 0.04 0.00 0.00 177.00 174.62 2kbt s GLY 782 N 6.17 1.79 0.03 0.56 0.00 -1.26 -5.11 107.32 109.50 2kbt s GLY 782 Ca 0.54 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.50 2kbt s GLY 782 CO 0.07 -0.44 -0.18 -1.59 0.00 0.00 0.00 173.10 170.95 2kbt s THR 783 N -0.51 1.47 0.96 0.90 2.01 -1.26 -5.14 115.64 114.07 2kbt s THR 783 Ca 0.08 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 2kbt s THR 783 Cb -0.12 -1.28 0.12 0.00 0.01 0.00 0.00 72.50 71.23 2kbt s THR 783 CO 0.02 0.18 0.11 0.49 -0.69 0.00 0.00 174.62 174.73 2kbt n PHE 784 N 2.00 -2.05 0.00 4.92 3.72 -1.26 -4.98 117.46 119.81 2kbt n PHE 784 Ca -0.17 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2kbt n PHE 784 Cb 0.54 -1.40 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 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 2.54 -1.12 3.37 1.37 0.00 -1.26 -5.06 105.19 105.03 2kbt n GLY 785 Ca 0.04 0.66 -0.10 0.00 0.00 0.00 0.00 46.02 46.62 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 0.93 0.05 -0.10 2.61 -4.23 -1.26 -2.67 115.64 110.97 2kbt s THR 786 Ca 0.00 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2kbt s THR 786 Cb 0.00 -1.91 0.05 0.00 1.34 0.00 0.00 72.50 71.98 2kbt s THR 786 CO 0.00 -0.24 0.20 0.00 -0.54 0.00 0.00 174.62 174.04 2kbt s ALA 787 N -3.98 -0.33 0.63 3.99 0.00 0.97 -4.17 121.76 118.87 2kbt s ALA 787 Ca 0.19 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.73 2kbt s ALA 787 Cb 0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2kbt s ALA 787 CO 0.02 -0.56 1.05 0.15 0.00 0.00 0.00 175.76 176.42 2kbt s LYS 788 N 2.25 3.24 -0.19 0.00 1.02 -1.23 0.18 119.74 125.01 2kbt s LYS 788 Ca 0.01 1.07 -0.15 0.00 0.02 0.00 0.00 55.97 56.92 2kbt s LYS 788 Cb -0.12 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2kbt s LYS 788 CO -0.07 -0.86 0.36 0.00 -0.92 0.00 0.00 175.35 173.86 2kbt s ALA 789 N -2.73 3.56 -2.00 5.17 0.00 0.92 -0.32 121.76 126.37 2kbt s ALA 789 Ca 0.61 -0.51 0.18 0.00 0.00 0.00 0.00 51.96 52.23 2kbt s ALA 789 Cb -0.14 -2.55 0.25 0.00 0.00 0.00 0.00 23.12 20.67 2kbt s ALA 789 CO 0.44 -0.17 1.17 0.54 0.00 0.00 0.00 175.76 177.74 2kbt n ARG 790 N 4.18 1.88 -3.68 0.00 5.12 -0.72 -2.85 116.66 120.59 2kbt n ARG 790 Ca -0.10 -1.81 -0.10 0.00 -1.93 0.00 0.00 57.85 53.91 2kbt n ARG 790 Cb 0.51 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.33 -0.70 -0.68 -1.55 1.51 -1.22 -4.94 117.35 108.44 2kbt s TYR 791 Ca 0.26 1.47 -0.26 0.00 -1.01 0.00 0.00 57.07 57.53 2kbt s TYR 791 Cb 0.16 0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 42.31 2kbt s TYR 791 CO 0.23 -0.38 2.01 0.16 -1.11 0.00 0.00 175.55 176.47 2kbt s ASP 792 N 1.39 4.99 0.84 2.29 -4.77 -1.26 -4.01 116.67 116.14 2kbt s ASP 792 Ca -0.09 0.18 -0.10 0.00 -3.30 0.00 0.00 52.55 49.24 2kbt s ASP 792 Cb -0.07 -2.53 0.15 0.00 -1.09 0.00 0.00 42.92 39.37 2kbt s ASP 792 CO -0.14 -2.67 1.16 0.12 0.70 0.00 0.00 175.17 174.35 2kbt s PHE 793 N 10.29 1.89 -0.27 2.11 5.36 -0.94 -4.95 117.98 131.48 2kbt s PHE 793 Ca 0.75 0.18 -0.01 0.00 -0.96 0.00 0.00 56.93 56.89 2kbt s PHE 793 Cb -0.12 -3.59 0.15 0.00 -0.34 0.00 0.00 43.02 39.12 2kbt s PHE 793 CO 0.15 -2.11 0.41 0.00 -1.46 0.00 0.00 175.22 172.21 2kbt s ALA 795 N 2.57 3.58 -0.07 0.00 0.00 -1.26 -4.90 121.76 121.67 2kbt s ALA 795 Ca 0.12 1.11 0.20 0.00 0.00 0.00 0.00 51.96 53.39 2kbt s ALA 795 Cb -0.14 -3.53 -0.30 0.00 0.00 0.00 0.00 23.12 19.15 2kbt s ALA 795 CO -0.22 -0.60 0.46 2.89 0.00 0.00 0.00 175.76 178.28 2kbt n ARG 796 N 3.71 0.60 -4.16 0.00 1.85 -1.26 -5.01 116.66 112.39 2kbt n ARG 796 Ca 0.10 -0.17 -0.13 0.00 -1.00 0.00 0.00 57.85 56.65 2kbt n ARG 796 Cb 0.42 -1.47 -0.08 0.00 -1.05 0.00 0.00 32.46 30.28 2kbt n ARG 796 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kbt s ASP 797 N -4.22 0.50 0.09 2.89 -0.00 -1.26 -5.02 116.67 109.65 2kbt s ASP 797 Ca -0.07 -1.39 0.21 0.00 -0.00 0.00 0.00 52.55 51.31 2kbt s ASP 797 Cb 0.13 0.49 0.85 0.00 -0.00 0.00 0.00 42.92 44.39 2kbt s ASP 797 CO 0.83 -1.00 1.65 -1.14 -0.00 0.00 0.00 175.17 175.51 2kbt n ARG 798 N -0.40 0.08 -0.08 8.23 3.00 -1.26 -2.08 116.66 124.15 2kbt n ARG 798 Ca 0.02 0.24 0.05 0.00 -0.00 0.00 0.00 57.85 58.16 2kbt n ARG 798 Cb 0.64 -1.63 0.17 0.00 0.00 0.00 0.00 32.46 31.64 2kbt n ARG 798 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2kbt n SER 799 N -1.77 0.95 -4.16 6.15 3.41 -1.26 -4.44 113.62 112.51 2kbt n SER 799 Ca 0.04 -1.90 -0.17 0.00 -0.26 0.00 0.00 58.87 56.58 2kbt n SER 799 Cb 0.25 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.79 0.78 -0.03 4.33 2.56 -0.88 -3.79 118.70 119.88 2kbt s GLU 800 Ca 0.16 -0.94 -0.11 0.00 0.00 0.00 0.00 54.97 54.09 2kbt s GLU 800 Cb 0.08 -0.73 -0.05 0.00 2.00 0.00 0.00 34.13 35.43 2kbt s GLU 800 CO 0.12 0.16 0.30 -1.17 -0.56 0.00 0.00 175.26 174.11 2kbt s LEU 801 N -1.76 4.42 -0.85 2.70 0.20 0.10 -4.25 118.68 119.25 2kbt s LEU 801 Ca -0.03 0.73 -0.24 0.00 0.69 0.00 0.00 54.13 55.29 2kbt s LEU 801 Cb -0.10 -2.49 0.05 0.00 -0.43 0.00 0.00 46.19 43.23 2kbt s LEU 801 CO 0.02 0.32 1.28 -0.44 -0.29 0.00 0.00 176.35 177.24 2kbt s SER 802 N -1.24 6.33 0.33 3.68 0.01 -1.26 -4.35 113.70 117.20 2kbt s SER 802 Ca 0.23 -1.05 -0.10 0.00 1.31 0.00 0.00 55.95 56.34 2kbt s SER 802 Cb -0.14 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.49 2kbt s SER 802 CO 0.11 -1.58 0.66 -0.76 0.41 0.00 0.00 173.24 172.08 2kbt s LEU 803 N 4.90 4.00 -0.30 2.44 1.02 -1.26 -4.86 118.68 124.62 2kbt s LEU 803 Ca 0.37 1.00 -0.07 0.00 0.02 0.00 0.00 54.13 55.45 2kbt s LEU 803 Cb -0.06 -3.83 0.15 0.00 0.02 0.00 0.00 46.19 42.47 2kbt s LEU 803 CO 0.03 -0.25 0.64 -0.75 0.02 0.00 0.00 176.35 176.04 2kbt s LYS 804 N -3.42 0.57 0.14 1.70 2.47 -1.26 -2.20 119.74 117.74 2kbt s LYS 804 Ca 0.49 1.28 -0.31 0.00 -1.56 0.00 0.00 55.97 55.86 2kbt s LYS 804 Cb -0.11 0.75 -0.18 0.00 -1.46 0.00 0.00 37.83 36.84 2kbt s LYS 804 CO 0.27 -0.35 0.67 0.39 0.16 0.00 0.00 175.35 176.49 2kbt n GLU 805 N 5.43 0.00 -0.79 4.03 1.02 -1.26 -0.38 120.64 128.70 2kbt n GLU 805 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2kbt n GLU 805 Cb 0.50 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 1.86 0.69 3.62 0.62 0.00 -1.13 -4.96 105.19 105.89 2kbt n GLY 806 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.29 4.45 0.11 1.61 -0.00 0.49 -4.94 116.67 116.11 2kbt s ASP 807 Ca 0.00 -0.64 0.05 0.00 -0.00 0.00 0.00 52.55 51.96 2kbt s ASP 807 Cb 0.00 -0.80 -0.04 0.00 -0.00 0.00 0.00 42.92 42.08 2kbt s ASP 807 CO 0.00 0.03 0.02 0.27 -0.00 0.00 0.00 175.17 175.49 2kbt s ILE 808 N -2.19 4.06 -0.20 0.77 -0.00 -1.26 -0.05 121.20 122.33 2kbt s ILE 808 Ca 0.30 -1.06 0.01 0.00 -0.00 0.00 0.00 60.65 59.90 2kbt s ILE 808 Cb -0.07 -2.98 0.04 0.00 -0.00 0.00 0.00 42.46 39.45 2kbt s ILE 808 CO 0.19 0.05 -0.14 -0.63 -0.00 0.00 0.00 174.94 174.40 2kbt s ILE 809 N -1.45 1.90 -0.33 8.37 1.09 0.49 -4.82 121.20 126.45 2kbt s ILE 809 Ca 0.27 -1.08 -0.29 0.00 -1.10 0.00 0.00 60.65 58.45 2kbt s ILE 809 Cb -0.11 -1.87 -0.00 0.00 -1.06 0.00 0.00 42.46 39.42 2kbt s ILE 809 CO 0.19 0.29 1.44 -0.75 -0.10 0.00 0.00 174.94 176.01 2kbt s LYS 810 N 1.30 3.72 -0.05 2.79 2.47 -1.17 -0.02 119.74 128.78 2kbt s LYS 810 Ca -0.00 1.21 -0.30 0.00 -1.56 0.00 0.00 55.97 55.33 2kbt s LYS 810 Cb -0.16 -3.99 -0.05 0.00 -1.46 0.00 0.00 37.83 32.18 2kbt s LYS 810 CO -0.09 -1.38 1.45 0.42 0.16 0.00 0.00 175.35 175.91 2kbt s ILE 811 N 5.12 3.77 -0.05 5.43 -1.09 -1.09 -2.71 121.20 130.57 2kbt s ILE 811 Ca 0.63 1.05 -0.02 0.00 -2.23 0.00 0.00 60.65 60.09 2kbt s ILE 811 Cb -0.17 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2kbt s ILE 811 CO 0.29 -0.05 -0.06 0.18 -1.23 0.00 0.00 174.94 174.07 2kbt n LEU 812 N 6.15 1.39 -4.35 2.97 4.77 0.33 -4.62 117.00 123.63 2kbt n LEU 812 Ca 0.15 0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 2kbt n LEU 812 Cb 0.44 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 2kbt n LEU 812 CO 0.59 0.30 -0.54 0.21 -1.33 0.00 0.00 177.39 176.62 2kbt s ASN 813 N -5.11 3.00 -0.46 -1.43 3.84 0.52 -4.99 114.94 110.30 2kbt s ASN 813 Ca -0.07 -0.76 0.08 0.00 0.21 0.00 0.00 52.86 52.32 2kbt s ASN 813 Cb 0.03 -0.19 0.26 0.00 -0.55 0.00 0.00 41.25 40.80 2kbt s ASN 813 CO 0.11 0.11 0.62 1.17 -2.79 0.00 0.00 177.10 176.31 2kbt n LYS 814 N 0.81 1.31 -1.50 0.43 3.00 -1.26 -1.78 118.16 119.17 2kbt n LYS 814 Ca -0.17 -3.68 -0.49 0.00 -0.00 0.00 0.00 58.31 53.97 2kbt n LYS 814 Cb 0.54 -1.57 -0.06 0.00 0.00 0.00 0.00 35.03 33.94 2kbt n LYS 814 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kbt n LYS 815 N 1.10 1.32 0.00 1.64 4.76 -1.26 -4.57 118.16 121.16 2kbt n LYS 815 Ca 0.24 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 2kbt n LYS 815 Cb 0.50 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.08 2kbt n LYS 815 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kbt n GLY 816 N 6.19 -0.59 0.12 0.72 0.00 -1.26 -4.40 105.19 105.98 2kbt n GLY 816 Ca 0.37 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 2kbt n GLY 816 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kbt h GLN 817 N 0.00 0.21 -3.16 1.61 4.15 -2.01 -3.48 115.11 112.43 2kbt h GLN 817 Ca 0.00 -0.36 -0.17 0.00 0.77 0.00 0.00 58.65 58.89 2kbt h GLN 817 Cb 0.00 0.14 -0.26 0.00 0.21 0.00 0.00 27.48 27.57 2kbt h GLN 817 CO 0.00 1.17 -0.45 1.14 -1.93 0.00 0.00 178.83 178.76 2kbt s GLN 818 N -2.47 0.27 0.00 1.69 1.03 -1.26 -5.04 119.66 113.87 2kbt s GLN 818 Ca -0.22 0.33 0.00 0.00 0.04 0.00 0.00 55.36 55.52 2kbt s GLN 818 Cb 0.05 0.12 0.00 0.00 0.03 0.00 0.00 33.01 33.21 2kbt s GLN 818 CO 0.74 -0.04 0.00 0.41 -2.54 0.00 0.00 175.29 173.86 2kbt n GLY 819 N 3.03 -1.35 2.77 2.60 0.00 -1.26 -5.09 105.19 105.89 2kbt n GLY 819 Ca -0.13 0.49 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.10 0.48 1.61 1.48 -1.26 -3.00 118.94 118.15 2kbt s TRP 820 Ca 0.00 0.43 -0.01 0.00 -1.06 0.00 0.00 56.10 55.46 2kbt s TRP 820 Cb 0.00 -0.36 -0.00 0.00 -1.16 0.00 0.00 33.47 31.95 2kbt s TRP 820 CO 0.00 -0.29 0.72 -1.58 -4.06 0.00 0.00 176.95 171.73 2kbt s TRP 821 N 2.25 3.22 -0.16 1.66 0.51 -0.88 -4.17 118.94 121.38 2kbt s TRP 821 Ca 0.04 0.30 0.01 0.00 -2.12 0.00 0.00 56.10 54.33 2kbt s TRP 821 Cb -0.13 -2.40 0.02 0.00 -0.81 0.00 0.00 33.47 30.15 2kbt s TRP 821 CO -0.06 -0.46 -0.19 0.50 -0.51 0.00 0.00 176.95 176.24 2kbt s ARG 822 N -4.64 2.76 0.00 4.98 3.52 -0.73 -1.92 118.95 122.92 2kbt s ARG 822 Ca 0.50 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2kbt s ARG 822 Cb -0.10 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 2kbt s ARG 822 CO 0.39 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 2kbt n GLY 823 N 4.48 5.33 3.52 8.12 0.00 -0.91 -0.35 105.19 125.37 2kbt n GLY 823 Ca -0.20 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 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 2.01 0.91 -0.10 1.61 2.12 -1.10 -2.59 118.70 121.56 2kbt s GLU 824 Ca 0.00 0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 2kbt s GLU 824 Cb 0.00 0.43 0.05 0.00 0.26 0.00 0.00 34.13 34.87 2kbt s GLU 824 CO 0.00 -0.33 0.21 0.42 -0.54 0.00 0.00 175.26 175.02 2kbt s ILE 825 N -1.93 -0.21 -1.96 -3.70 1.01 0.71 -3.05 121.20 112.08 2kbt s ILE 825 Ca -0.03 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2kbt s ILE 825 Cb -0.00 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2kbt s ILE 825 CO 0.00 0.10 0.00 -1.22 0.00 0.00 0.00 174.94 173.83 2kbt n TYR 826 N 4.84 -0.57 -0.20 3.97 4.01 -1.26 -0.10 117.16 127.85 2kbt n TYR 826 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2kbt n TYR 826 Cb 0.51 -3.75 0.00 0.00 -0.31 0.00 0.00 39.34 35.79 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 -0.77 1.06 3.60 2.72 0.00 -1.26 -5.02 105.19 105.52 2kbt n GLY 827 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.55 3.81 0.40 1.61 0.52 0.86 -5.03 118.95 120.56 2kbt s ARG 828 Ca 0.00 0.48 -0.08 0.00 -0.52 0.00 0.00 55.73 55.61 2kbt s ARG 828 Cb 0.00 -3.80 -0.06 0.00 0.52 0.00 0.00 34.95 31.61 2kbt s ARG 828 CO 0.00 -0.91 0.74 0.42 0.02 0.00 0.00 175.30 175.57 2kbt s ILE 829 N 3.33 4.85 -3.02 1.52 -1.09 -1.26 -0.21 121.20 125.33 2kbt s ILE 829 Ca 0.36 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2kbt s ILE 829 Cb -0.12 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 2kbt s ILE 829 CO 0.18 -0.57 0.00 0.61 -1.23 0.00 0.00 174.94 173.93 2kbt n GLY 830 N -1.48 -1.00 2.82 6.18 0.00 -1.07 -4.49 105.19 106.16 2kbt n GLY 830 Ca 0.01 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 2kbt n GLY 830 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kbt n TRP 831 N 5.44 0.30 -3.64 1.61 7.02 -1.25 -2.14 117.44 124.78 2kbt n TRP 831 Ca 0.00 -2.15 -0.03 0.00 -1.02 0.00 0.00 57.50 54.31 2kbt n TRP 831 Cb 0.00 -0.06 -0.03 0.00 -2.42 0.00 0.00 31.31 28.80 2kbt n TRP 831 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2kbt s PHE 832 N -2.75 -0.05 0.45 -5.99 -0.71 -0.81 0.01 117.98 108.14 2kbt s PHE 832 Ca 0.13 0.06 -0.22 0.00 -1.04 0.00 0.00 56.93 55.87 2kbt s PHE 832 Cb 0.01 0.50 -0.09 0.00 -1.21 0.00 0.00 43.02 42.23 2kbt s PHE 832 CO 0.10 -0.06 1.04 -1.25 -1.34 0.00 0.00 175.22 173.71 2kbt s PRO 833 N -1.57 3.94 0.00 1.99 0.04 -1.26 -2.08 135.00 136.06 2kbt s PRO 833 Ca 0.10 1.42 0.20 0.00 0.04 0.00 0.00 61.00 62.75 2kbt s PRO 833 Cb -0.01 -2.27 1.08 0.00 0.04 0.00 0.00 34.50 33.34 2kbt s PRO 833 CO -0.05 -0.32 1.71 -1.13 0.04 0.00 0.00 177.00 177.24 2kbt n SER 834 N -0.62 0.30 -0.70 6.66 3.41 -1.16 -2.55 113.62 118.95 2kbt n SER 834 Ca 0.08 -1.45 0.09 0.00 -0.26 0.00 0.00 58.87 57.32 2kbt n SER 834 Cb 0.51 -0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.60 2.47 -0.19 4.04 3.02 -1.26 -4.21 115.26 118.52 2kbt n ASN 835 Ca 0.15 -1.73 0.02 0.00 -0.03 0.00 0.00 54.58 52.99 2kbt n ASN 835 Cb 0.11 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.99 0.02 -4.21 3.10 4.02 -1.06 -5.01 117.16 115.01 2kbt n TYR 836 Ca 0.10 -0.05 -0.12 0.00 -0.01 0.00 0.00 57.90 57.82 2kbt n TYR 836 Cb 0.44 -0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.65 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 -0.44 0.04 0.48 -0.72 -7.23 -1.23 -1.75 120.40 109.54 2kbt s VAL 837 Ca 0.06 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2kbt s VAL 837 Cb 0.04 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2kbt s VAL 837 CO 0.06 -0.02 0.34 -1.61 -0.31 0.00 0.00 175.10 173.57 2kbt s GLU 838 N -4.15 2.32 -0.13 4.82 2.02 0.57 -4.86 118.70 119.29 2kbt s GLU 838 Ca 0.38 -1.86 -0.11 0.00 0.02 0.00 0.00 54.97 53.41 2kbt s GLU 838 Cb 0.07 -2.14 0.04 0.00 0.10 0.00 0.00 34.13 32.20 2kbt s GLU 838 CO 0.12 -0.39 0.33 -1.21 0.02 0.00 0.00 175.26 174.12 2kbt s GLU 839 N -4.15 0.37 -0.05 1.61 0.41 -1.26 -3.55 118.70 112.07 2kbt s GLU 839 Ca 0.39 0.49 0.00 0.00 -0.41 0.00 0.00 54.97 55.44 2kbt s GLU 839 Cb -0.01 0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 2kbt s GLU 839 CO 0.23 -0.06 0.00 -3.47 -0.49 0.00 0.00 175.26 171.47 2kbt n ASP 840 N 3.12 -1.11 -0.05 -0.19 2.03 -1.26 -4.70 116.55 114.39 2kbt n ASP 840 Ca -0.15 0.48 0.06 0.00 0.52 0.00 0.00 54.79 55.71 2kbt n ASP 840 Cb 0.57 -1.09 0.43 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.53 -3.73 -0.67 -0.00 -1.90 -3.45 116.97 107.76 2kbt h TYR 841 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 58.73 58.59 2kbt h TYR 841 Cb 1.00 -0.18 -0.07 0.00 0.00 0.00 0.00 36.73 37.48 2kbt h TYR 841 CO 0.88 0.31 -0.08 -1.54 -0.00 0.00 0.00 178.16 177.73 2kbt s SER 842 N -6.51 0.33 -0.15 0.10 1.04 -1.26 -5.16 113.70 102.09 2kbt s SER 842 Ca -0.08 -1.19 -0.00 0.00 0.48 0.00 0.00 55.95 55.16 2kbt s SER 842 Cb 0.18 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.96 2kbt s SER 842 CO 0.74 -1.30 -0.14 -0.70 0.98 0.00 0.00 173.24 172.82 2kbt s GLU 843 N -3.34 3.29 -0.27 4.02 2.12 -1.26 -4.99 118.70 118.26 2kbt s GLU 843 Ca 0.24 -0.72 0.18 0.00 0.36 0.00 0.00 54.97 55.04 2kbt s GLU 843 Cb -0.01 -2.65 0.49 0.00 0.26 0.00 0.00 34.13 32.22 2kbt s GLU 843 CO 0.14 0.08 1.13 0.98 -0.54 0.00 0.00 175.26 177.04 2kbt n TYR 844 N 3.90 1.67 -1.21 5.30 9.36 -1.26 -5.10 117.16 129.83 2kbt n TYR 844 Ca -0.19 -2.18 -0.31 0.00 3.32 0.00 0.00 57.90 58.54 2kbt n TYR 844 Cb 0.52 -0.26 0.11 0.00 -0.63 0.00 0.00 39.34 39.07 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 -3.74 2.86 0.56 2.98 2.01 -1.26 -5.00 118.68 117.08 2kbt s LEU 845 Ca 0.34 1.78 -0.17 0.00 0.01 0.00 0.00 54.13 56.09 2kbt s LEU 845 Cb 0.35 -4.40 -0.05 0.00 0.01 0.00 0.00 46.19 42.09 2kbt s LEU 845 CO -0.02 -2.23 1.04 -2.16 1.01 0.00 0.00 176.35 173.99 2kbt s PRO 846 N -4.89 3.52 0.88 1.29 0.04 -1.26 -4.99 135.00 129.60 2kbt s PRO 846 Ca 0.62 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 2kbt s PRO 846 Cb -0.18 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2kbt s PRO 846 CO 0.56 -0.65 -0.16 0.39 0.04 0.00 0.00 177.00 177.18 2kbt n GLU 847 N -1.69 -0.03 0.00 4.56 4.71 -1.26 -5.31 120.64 121.61 2kbt n GLU 847 Ca 0.09 0.01 0.12 0.00 -0.01 0.00 0.00 57.16 57.37 2kbt n GLU 847 Cb 0.53 -1.38 0.11 0.00 -1.01 0.00 0.00 31.44 29.69 2kbt n GLU 847 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85