#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmj s SER 793 N 0.00 3.48 -0.09 1.67 0.01 -1.26 -5.03 113.70 112.47 2rmj s SER 793 Ca 0.00 -1.01 0.13 0.00 1.31 0.00 0.00 55.95 56.37 2rmj s SER 793 Cb 0.00 -0.28 0.30 0.00 0.21 0.00 0.00 66.02 66.25 2rmj s SER 793 CO 0.00 0.03 1.21 0.00 0.41 0.00 0.00 173.24 174.89 2rmj n GLN 794 N -0.52 2.41 -3.70 12.44 6.02 -1.26 -4.96 117.38 127.80 2rmj n GLN 794 Ca -0.06 -2.33 -0.37 0.00 -0.01 0.00 0.00 57.00 54.23 2rmj n GLN 794 Cb 0.60 -1.45 -0.12 0.00 1.02 0.00 0.00 30.24 30.29 2rmj n GLN 794 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2rmj s GLU 795 N -2.12 3.75 0.66 -1.09 2.12 -1.26 -5.09 118.70 115.67 2rmj s GLU 795 Ca 0.26 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 55.02 2rmj s GLU 795 Cb 0.21 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 2rmj s GLU 795 CO 0.06 -0.18 1.09 0.15 -0.54 0.00 0.00 175.26 175.84 2rmj s LYS 796 N 1.65 2.90 0.67 4.30 -0.14 -1.26 -5.02 119.74 122.83 2rmj s LYS 796 Ca 0.07 1.28 -0.12 0.00 -1.36 0.00 0.00 55.97 55.84 2rmj s LYS 796 Cb -0.15 -1.97 -0.01 0.00 -1.68 0.00 0.00 37.83 34.02 2rmj s LYS 796 CO 0.06 -1.16 1.06 -1.25 -0.76 0.00 0.00 175.35 173.30 2rmj s PRO 797 N -4.24 3.06 0.18 -1.68 0.04 -1.26 -5.08 135.00 126.02 2rmj s PRO 797 Ca 0.65 1.01 0.08 0.00 0.04 0.00 0.00 61.00 62.77 2rmj s PRO 797 Cb -0.18 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2rmj s PRO 797 CO 0.43 -1.01 -0.15 0.15 0.04 0.00 0.00 177.00 176.46 2rmj s LYS 798 N -4.80 1.27 0.84 4.56 3.01 -1.26 -5.15 119.74 118.20 2rmj s LYS 798 Ca 0.59 -1.49 -0.14 0.00 -1.01 0.00 0.00 55.97 53.92 2rmj s LYS 798 Cb -0.14 -1.14 0.20 0.00 -1.01 0.00 0.00 37.83 35.74 2rmj s LYS 798 CO 0.50 0.20 0.92 -0.35 0.51 0.00 0.00 175.35 177.14 2rmj n PRO 799 N -0.07 -1.80 -4.76 -1.68 -0.04 -1.26 -5.08 135.00 120.31 2rmj n PRO 799 Ca -0.10 -1.44 -0.31 0.00 -0.04 0.00 0.00 63.50 61.60 2rmj n PRO 799 Cb 0.59 -1.14 -0.13 0.00 -0.04 0.00 0.00 33.50 32.78 2rmj n PRO 799 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rmj s VAL 800 N -2.86 2.65 0.00 0.52 0.11 -1.26 -5.06 120.40 114.50 2rmj s VAL 800 Ca 0.55 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 2rmj s VAL 800 Cb -0.03 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 2rmj s VAL 800 CO 0.41 0.38 0.08 -0.81 -3.33 0.00 0.00 175.10 171.83 2rmj n PRO 801 N 1.71 0.00 -0.07 1.54 -0.04 -1.26 -4.93 135.00 131.95 2rmj n PRO 801 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 2rmj n PRO 801 Cb 0.52 -0.46 0.08 0.00 -0.04 0.00 0.00 33.50 33.60 2rmj n PRO 801 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2rmj n ASP 802 N -0.33 -2.46 -4.08 3.54 5.75 -1.26 -4.91 116.55 112.79 2rmj n ASP 802 Ca 0.00 -0.23 -0.32 0.00 -0.01 0.00 0.00 54.79 54.23 2rmj n ASP 802 Cb 0.00 -0.27 0.11 0.00 -1.03 0.00 0.00 41.12 39.93 2rmj n ASP 802 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2rmj n LYS 803 N -2.78 -1.06 -1.44 0.11 5.02 -1.26 -4.72 118.16 112.04 2rmj n LYS 803 Ca 0.04 -0.30 -0.35 0.00 -2.02 0.00 0.00 58.31 55.68 2rmj n LYS 803 Cb 0.16 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 2rmj n LYS 803 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2rmj n GLU 804 N -0.24 3.61 -4.32 1.97 1.02 -1.26 -4.89 120.64 116.54 2rmj n GLU 804 Ca 0.00 -2.34 -0.31 0.00 -0.02 0.00 0.00 57.16 54.49 2rmj n GLU 804 Cb 0.62 -2.61 -0.10 0.00 -0.02 0.00 0.00 31.44 29.33 2rmj n GLU 804 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2rmj s ASN 805 N 1.62 4.67 0.06 1.62 3.04 -1.26 -4.85 114.94 119.84 2rmj s ASN 805 Ca 0.65 -0.21 0.03 0.00 0.04 0.00 0.00 52.86 53.37 2rmj s ASN 805 Cb 0.21 -1.05 -0.03 0.00 -1.54 0.00 0.00 41.25 38.84 2rmj s ASN 805 CO -0.07 0.23 -0.09 -0.75 -3.04 0.00 0.00 177.10 173.38 2rmj s LYS 806 N -1.82 0.64 0.24 0.43 2.20 -1.26 -4.56 119.74 115.60 2rmj s LYS 806 Ca 0.20 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2rmj s LYS 806 Cb -0.11 -0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 35.73 2rmj s LYS 806 CO 0.12 0.08 0.42 0.21 -0.36 0.00 0.00 175.35 175.82 2rmj s LYS 807 N -1.83 3.51 0.04 4.03 2.20 0.30 0.07 119.74 128.05 2rmj s LYS 807 Ca -0.06 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.23 2rmj s LYS 807 Cb -0.09 -2.81 -0.02 0.00 -1.51 0.00 0.00 37.83 33.40 2rmj s LYS 807 CO 0.01 0.35 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.67 2rmj s LEU 808 N -3.61 2.17 0.35 5.43 1.02 0.18 0.14 118.68 124.37 2rmj s LEU 808 Ca 0.38 -0.49 0.06 0.00 0.02 0.00 0.00 54.13 54.10 2rmj s LEU 808 Cb -0.10 -0.77 -0.07 0.00 0.02 0.00 0.00 46.19 45.26 2rmj s LEU 808 CO 0.30 0.09 0.01 -0.76 0.02 0.00 0.00 176.35 176.01 2rmj s LEU 809 N -1.17 2.53 -0.28 1.79 1.02 -0.06 -0.03 118.68 122.49 2rmj s LEU 809 Ca 0.04 -1.33 -0.09 0.00 0.02 0.00 0.00 54.13 52.77 2rmj s LEU 809 Cb -0.08 -0.66 -0.03 0.00 0.02 0.00 0.00 46.19 45.44 2rmj s LEU 809 CO 0.02 -0.48 0.13 0.00 0.02 0.00 0.00 176.35 176.04 2rmj h ARG 811 N 8.31 0.00 0.00 0.00 1.12 -1.88 1.51 114.38 123.44 2rmj h ARG 811 Ca -0.36 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 2rmj h ARG 811 Cb 1.17 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 2rmj h ARG 811 CO 0.58 0.00 0.00 1.17 -3.11 0.00 0.00 179.97 178.61 2rmj n LYS 812 N -2.31 0.00 -0.27 0.20 3.00 -1.26 -3.99 118.16 113.53 2rmj n LYS 812 Ca -0.01 0.42 0.08 0.00 -0.00 0.00 0.00 58.31 58.79 2rmj n LYS 812 Cb 0.17 -1.29 0.17 0.00 0.00 0.00 0.00 35.03 34.08 2rmj n LYS 812 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rmj n LYS 814 N -1.28 -1.57 -3.92 0.00 4.76 0.51 -4.97 118.16 111.69 2rmj n LYS 814 Ca 0.18 1.07 -0.10 0.00 -2.87 0.00 0.00 58.31 56.59 2rmj n LYS 814 Cb 0.68 -3.29 -0.12 0.00 -1.84 0.00 0.00 35.03 30.46 2rmj n LYS 814 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rmj s ALA 815 N -2.82 -0.03 0.18 7.82 0.00 -1.09 -4.81 121.76 121.00 2rmj s ALA 815 Ca 0.05 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.44 2rmj s ALA 815 Cb -0.01 0.07 -0.17 0.00 0.00 0.00 0.00 23.12 23.01 2rmj s ALA 815 CO 0.85 -0.12 0.59 -0.11 0.00 0.00 0.00 175.76 176.97 2rmj n LEU 816 N 2.06 -1.05 0.00 0.00 -0.00 -1.26 0.95 117.00 117.70 2rmj n LEU 816 Ca -0.20 1.13 0.00 0.00 -0.00 0.00 0.00 56.01 56.95 2rmj n LEU 816 Cb 0.57 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2rmj n LEU 816 CO 0.22 -2.84 -0.35 0.00 -0.00 0.00 0.00 177.39 174.42 2rmj n ALA 817 N 0.18 2.81 -3.39 1.96 0.00 0.96 -4.59 120.51 118.43 2rmj n ALA 817 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.65 2rmj n ALA 817 Cb 0.23 0.35 0.01 0.00 0.00 0.00 0.00 19.45 20.04 2rmj n ALA 817 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rmj s TYR 819 N -4.44 1.03 0.56 0.00 2.02 -1.26 0.48 117.35 115.74 2rmj s TYR 819 Ca 0.10 -0.28 0.27 0.00 -0.37 0.00 0.00 57.07 56.79 2rmj s TYR 819 Cb -0.01 -0.63 1.68 0.00 -0.40 0.00 0.00 41.96 42.60 2rmj s TYR 819 CO 0.03 0.00 2.22 0.00 -1.57 0.00 0.00 175.55 176.23 2rmj h THR 820 N 4.69 0.63 0.00 -0.71 1.03 -0.68 0.38 112.91 118.24 2rmj h THR 820 Ca -0.35 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.01 2rmj h THR 820 Cb 1.18 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 2rmj h THR 820 CO 0.46 0.01 0.00 0.00 -0.01 0.00 0.00 175.52 175.98 2rmj h ALA 821 N 1.99 1.00 0.00 0.00 0.00 -1.89 -2.56 119.26 117.80 2rmj h ALA 821 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2rmj h ALA 821 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2rmj h ALA 821 CO 0.00 0.00 -1.62 -0.25 0.00 0.00 0.00 179.25 177.38 2rmj n ASP 822 N -2.64 2.56 -4.60 0.00 8.00 0.86 -4.92 116.55 115.80 2rmj n ASP 822 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2rmj n ASP 822 Cb 0.20 0.98 -0.02 0.00 -0.02 0.00 0.00 41.12 42.26 2rmj n ASP 822 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rmj s VAL 823 N -2.40 3.82 -0.04 2.53 1.01 0.96 -1.31 120.40 124.98 2rmj s VAL 823 Ca -0.05 0.85 0.05 0.00 0.00 0.00 0.00 61.98 62.83 2rmj s VAL 823 Cb 0.04 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2rmj s VAL 823 CO 0.42 -0.66 -0.18 -0.13 0.00 0.00 0.00 175.10 174.55 2rmj s ARG 824 N 5.02 1.77 -0.06 2.72 1.81 -0.56 -4.83 118.95 124.82 2rmj s ARG 824 Ca 0.65 -0.65 -0.04 0.00 -1.72 0.00 0.00 55.73 53.97 2rmj s ARG 824 Cb -0.16 -1.58 -0.04 0.00 -0.45 0.00 0.00 34.95 32.72 2rmj s ARG 824 CO 0.32 0.30 0.12 0.14 -0.68 0.00 0.00 175.30 175.51 2rmj s VAL 825 N -0.12 5.17 -1.15 3.52 -7.23 -1.26 -3.11 120.40 116.23 2rmj s VAL 825 Ca -0.00 -0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 59.87 2rmj s VAL 825 Cb -0.10 -3.32 0.06 0.00 0.56 0.00 0.00 36.38 33.58 2rmj s VAL 825 CO 0.01 0.47 1.58 -0.63 -0.31 0.00 0.00 175.10 176.22 2rmj s ILE 826 N -1.14 4.04 -1.37 -0.62 1.01 -1.12 -3.33 121.20 118.68 2rmj s ILE 826 Ca 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2rmj s ILE 826 Cb -0.12 -5.12 0.00 0.00 0.01 0.00 0.00 42.46 37.23 2rmj s ILE 826 CO 0.10 -1.97 0.00 -0.62 0.00 0.00 0.00 174.94 172.46 2rmj n GLU 827 N 8.57 -1.88 -2.71 2.79 -0.58 -1.26 -0.67 120.64 124.90 2rmj n GLU 827 Ca 0.40 0.77 -0.07 0.00 -0.42 0.00 0.00 57.16 57.84 2rmj n GLU 827 Cb 0.49 -5.32 0.03 0.00 -0.57 0.00 0.00 31.44 26.07 2rmj n GLU 827 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2rmj n GLU 828 N -2.68 -2.53 -0.03 3.49 1.02 -1.26 -4.95 120.64 113.70 2rmj n GLU 828 Ca -0.17 0.29 -0.04 0.00 -0.02 0.00 0.00 57.16 57.21 2rmj n GLU 828 Cb 0.61 -3.66 -0.03 0.00 -0.02 0.00 0.00 31.44 28.34 2rmj n GLU 828 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rmj s HIS 830 N -2.11 0.92 -0.31 0.00 3.76 -1.26 -4.94 115.29 111.35 2rmj s HIS 830 Ca -0.08 -1.14 0.02 0.00 -0.15 0.00 0.00 55.06 53.72 2rmj s HIS 830 Cb 0.02 -0.53 0.09 0.00 1.11 0.00 0.00 32.58 33.27 2rmj s HIS 830 CO 0.13 -0.39 0.04 -0.47 -0.85 0.00 0.00 174.74 173.20 2rmj s TYR 831 N -3.90 2.84 0.09 1.40 6.14 -1.26 -2.78 117.35 119.88 2rmj s TYR 831 Ca 0.21 -2.36 0.01 0.00 0.64 0.00 0.00 57.07 55.57 2rmj s TYR 831 Cb 0.07 -2.27 -0.00 0.00 0.42 0.00 0.00 41.96 40.18 2rmj s TYR 831 CO 0.00 -0.89 0.03 -2.37 0.64 0.00 0.00 175.55 172.96 2rmj n THR 832 N 4.52 0.00 -3.95 4.34 5.66 -1.18 -1.19 114.28 122.48 2rmj n THR 832 Ca -0.01 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.39 2rmj n THR 832 Cb 0.42 0.18 -0.10 0.00 -1.55 0.00 0.00 70.33 69.28 2rmj n THR 832 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2rmj s VAL 833 N -1.84 0.12 0.36 1.08 1.01 -1.26 -1.50 120.40 118.37 2rmj s VAL 833 Ca 0.04 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2rmj s VAL 833 Cb 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 36.38 35.93 2rmj s VAL 833 CO 0.03 -0.53 0.46 0.18 0.00 0.00 0.00 175.10 175.24 2rmj n LEU 834 N 1.31 0.00 0.00 3.92 4.77 -0.43 -4.94 117.00 121.63 2rmj n LEU 834 Ca -0.22 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2rmj n LEU 834 Cb 0.56 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2rmj n LEU 834 CO 0.21 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 2rmj n GLY 835 N 0.60 -3.02 0.26 -0.72 0.00 -1.26 -4.32 105.19 96.72 2rmj n GLY 835 Ca 0.08 -1.10 0.17 0.00 0.00 0.00 0.00 46.02 45.17 2rmj n GLY 835 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2rmj h ASP 836 N 0.00 0.00 -0.14 1.61 3.04 -1.86 -1.85 116.42 117.21 2rmj h ASP 836 Ca 0.00 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 2rmj h ASP 836 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 2rmj h ASP 836 CO 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 179.24 177.24 2rmj h ALA 837 N 2.05 1.67 0.00 4.15 0.00 -1.94 -0.96 119.26 124.23 2rmj h ALA 837 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2rmj h ALA 837 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2rmj h ALA 837 CO 0.00 0.26 -0.57 0.35 0.00 0.00 0.00 179.25 179.28 2rmj h PHE 838 N 0.31 0.00 -0.63 0.00 3.57 -1.52 -3.13 116.94 115.54 2rmj h PHE 838 Ca 0.07 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2rmj h PHE 838 Cb 0.15 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2rmj h PHE 838 CO 0.00 0.33 0.15 0.87 -2.23 0.00 0.00 178.31 177.43 2rmj h LYS 839 N 0.00 0.99 -0.00 1.11 1.57 -1.15 -1.25 116.57 117.84 2rmj h LYS 839 Ca -0.03 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2rmj h LYS 839 Cb 1.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2rmj h LYS 839 CO 0.04 0.88 -0.17 -0.85 -0.57 0.00 0.00 179.45 178.78 2rmj n GLU 840 N -4.25 0.17 0.17 3.15 0.28 -1.03 -3.12 120.64 116.01 2rmj n GLU 840 Ca 0.05 -0.05 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2rmj n GLU 840 Cb 0.24 -1.50 0.17 0.00 1.43 0.00 0.00 31.44 31.79 2rmj n GLU 840 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rmj n PHE 842 N -3.30 0.01 -3.74 0.00 -1.74 -1.10 -1.62 117.46 105.96 2rmj n PHE 842 Ca 0.01 -0.05 -0.10 0.00 -0.56 0.00 0.00 57.45 56.76 2rmj n PHE 842 Cb 0.63 -0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.57 2rmj n PHE 842 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2rmj s VAL 843 N -1.45 0.06 -0.03 1.97 -7.23 0.24 -4.30 120.40 109.66 2rmj s VAL 843 Ca 0.00 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2rmj s VAL 843 Cb 0.00 -1.42 0.03 0.00 0.56 0.00 0.00 36.38 35.55 2rmj s VAL 843 CO 0.00 -0.29 0.03 -0.94 -0.31 0.00 0.00 175.10 173.59 2rmj s SER 844 N -2.86 0.65 0.09 4.85 1.04 -1.26 -0.78 113.70 115.44 2rmj s SER 844 Ca 0.07 0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.60 2rmj s SER 844 Cb 0.02 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 2rmj s SER 844 CO -0.07 -0.16 -0.16 -0.13 0.98 0.00 0.00 173.24 173.70 2rmj s ARG 845 N 1.46 1.94 0.20 4.02 1.81 -0.88 -5.02 118.95 122.49 2rmj s ARG 845 Ca -0.04 -1.09 -0.30 0.00 -1.72 0.00 0.00 55.73 52.59 2rmj s ARG 845 Cb -0.13 -2.18 -0.08 0.00 -0.45 0.00 0.00 34.95 32.11 2rmj s ARG 845 CO -0.03 0.50 1.11 -1.25 -0.68 0.00 0.00 175.30 174.95 2rmj s PRO 846 N -1.98 4.59 0.01 3.54 0.04 -1.26 -2.91 135.00 137.03 2rmj s PRO 846 Ca 0.18 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.69 2rmj s PRO 846 Cb -0.11 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.26 2rmj s PRO 846 CO 0.10 0.09 0.72 -1.01 0.04 0.00 0.00 177.00 176.93 2rmj s HIS 847 N -0.40 -0.55 0.00 0.56 3.76 -1.25 -4.92 115.29 112.49 2rmj s HIS 847 Ca 0.49 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.09 2rmj s HIS 847 Cb -0.30 0.48 0.00 0.00 1.11 0.00 0.00 32.58 33.87 2rmj s HIS 847 CO 0.36 -0.65 0.00 -0.35 -0.85 0.00 0.00 174.74 173.25 2rmj n PRO 848 N 0.32 -0.23 -3.98 8.40 -0.04 -1.26 -4.04 135.00 134.16 2rmj n PRO 848 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 2rmj n PRO 848 Cb 0.60 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.91 2rmj n PRO 848 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2rmj s LYS 849 N -2.45 1.76 -0.02 0.54 2.20 -1.26 -4.62 119.74 115.90 2rmj s LYS 849 Ca 0.00 -1.22 -0.03 0.00 -0.36 0.00 0.00 55.97 54.36 2rmj s LYS 849 Cb 0.00 -2.73 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 2rmj s LYS 849 CO 0.00 -0.65 0.29 -1.00 -0.36 0.00 0.00 175.35 173.63 2rmj h PRO 850 N 7.86 -0.09 -6.67 4.03 0.13 -1.97 -3.45 132.00 131.85 2rmj h PRO 850 Ca -0.16 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.46 2rmj h PRO 850 Cb 1.05 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2rmj h PRO 850 CO 0.44 -0.06 0.41 -1.59 -0.23 0.00 0.00 178.00 176.97 2rmj s LYS 851 N -1.81 4.70 -0.19 0.86 -2.85 -1.26 -4.94 119.74 114.25 2rmj s LYS 851 Ca -0.01 1.59 0.15 0.00 -1.00 0.00 0.00 55.97 56.69 2rmj s LYS 851 Cb 0.00 -3.30 0.42 0.00 -2.06 0.00 0.00 37.83 32.89 2rmj s LYS 851 CO 0.04 0.24 1.29 0.00 0.10 0.00 0.00 175.35 177.03 2rmj n GLN 852 N 2.17 1.86 -3.81 1.78 10.64 -1.26 -4.91 117.38 123.84 2rmj n GLN 852 Ca 0.01 -2.90 -0.30 0.00 -1.83 0.00 0.00 57.00 51.98 2rmj n GLN 852 Cb 0.47 -1.67 -0.15 0.00 -0.86 0.00 0.00 30.24 28.03 2rmj n GLN 852 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 2rmj s PHE 853 N -3.01 2.01 -0.09 2.61 -0.71 -1.26 -5.09 117.98 112.44 2rmj s PHE 853 Ca 0.38 -1.77 -0.32 0.00 -1.04 0.00 0.00 56.93 54.18 2rmj s PHE 853 Cb 0.34 -1.74 0.13 0.00 -1.21 0.00 0.00 43.02 40.54 2rmj s PHE 853 CO 0.02 -0.82 1.30 0.45 -1.34 0.00 0.00 175.22 174.82 2rmj s SER 854 N 1.52 -0.07 0.00 1.98 0.15 -1.26 -5.09 113.70 110.94 2rmj s SER 854 Ca 0.05 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2rmj s SER 854 Cb -0.18 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2rmj s SER 854 CO -0.16 -0.23 0.75 -1.20 1.20 0.00 0.00 173.24 173.61 2rmj n SER 855 N -0.36 0.00 -3.43 5.45 7.64 -1.26 -4.83 113.62 116.83 2rmj n SER 855 Ca -0.06 0.75 -0.19 0.00 1.01 0.00 0.00 58.87 60.39 2rmj n SER 855 Cb 0.61 -0.25 0.13 0.00 -1.01 0.00 0.00 64.21 63.69 2rmj n SER 855 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rmj n PHE 856 N -1.31 -3.77 -4.33 1.43 3.01 -1.26 -5.08 117.46 106.15 2rmj n PHE 856 Ca 0.00 -0.92 -0.33 0.00 1.01 0.00 0.00 57.45 57.21 2rmj n PHE 856 Cb 0.00 -0.66 -0.16 0.00 -0.01 0.00 0.00 39.48 38.65 2rmj n PHE 856 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2rmj s GLU 857 N -4.83 2.98 -0.13 -1.08 -1.05 -1.26 -5.02 118.70 108.31 2rmj s GLU 857 Ca 0.51 -0.83 -0.02 0.00 -0.15 0.00 0.00 54.97 54.47 2rmj s GLU 857 Cb -0.02 -2.50 -0.03 0.00 -0.44 0.00 0.00 34.13 31.14 2rmj s GLU 857 CO 0.35 -0.13 -0.06 -1.59 0.95 0.00 0.00 175.26 174.78 2rmj s LYS 858 N 1.11 3.43 -0.06 -4.83 0.00 -1.26 -3.82 119.74 114.31 2rmj s LYS 858 Ca 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 55.97 55.52 2rmj s LYS 858 Cb -0.14 -2.80 0.17 0.00 0.00 0.00 0.00 37.83 35.07 2rmj s LYS 858 CO -0.09 0.33 1.08 -2.13 0.00 0.00 0.00 175.35 174.54 2rmj n ARG 859 N 3.25 0.53 -3.60 1.78 0.63 -1.16 -4.68 116.66 113.41 2rmj n ARG 859 Ca -0.18 -1.79 -0.09 0.00 -0.92 0.00 0.00 57.85 54.87 2rmj n ARG 859 Cb 0.53 -0.84 -0.05 0.00 0.45 0.00 0.00 32.46 32.54 2rmj n ARG 859 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rmj s ALA 860 N -1.16 -1.98 -0.16 5.13 0.00 -1.25 -3.85 121.76 118.49 2rmj s ALA 860 Ca 0.17 1.67 -0.04 0.00 0.00 0.00 0.00 51.96 53.76 2rmj s ALA 860 Cb 0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2rmj s ALA 860 CO -0.02 -0.28 -0.04 0.15 0.00 0.00 0.00 175.76 175.58 2rmj s LYS 861 N -0.89 3.64 0.04 0.00 3.01 -1.15 0.07 119.74 124.46 2rmj s LYS 861 Ca 0.01 -0.53 -0.02 0.00 -1.01 0.00 0.00 55.97 54.41 2rmj s LYS 861 Cb -0.01 -2.92 -0.04 0.00 -1.01 0.00 0.00 37.83 33.84 2rmj s LYS 861 CO -0.01 0.19 0.22 0.96 0.51 0.00 0.00 175.35 177.22 2rmj s ILE 862 N 0.49 5.37 0.23 2.17 -5.25 -1.19 -2.06 121.20 120.97 2rmj s ILE 862 Ca -0.03 -0.22 -0.02 0.00 -0.99 0.00 0.00 60.65 59.39 2rmj s ILE 862 Cb -0.14 -3.59 -0.03 0.00 2.95 0.00 0.00 42.46 41.64 2rmj s ILE 862 CO 0.03 0.21 0.23 -0.36 -1.79 0.00 0.00 174.94 173.26 2rmj s PHE 863 N -1.45 1.08 0.51 1.37 0.08 0.04 -3.75 117.98 115.87 2rmj s PHE 863 Ca 0.32 -1.29 -0.21 0.00 0.12 0.00 0.00 56.93 55.88 2rmj s PHE 863 Cb -0.13 -0.41 -0.06 0.00 -0.57 0.00 0.00 43.02 41.85 2rmj s PHE 863 CO 0.23 -0.77 1.15 0.00 -0.10 0.00 0.00 175.22 175.74 2rmj h ALA 865 N 1.56 0.60 -2.67 0.00 0.00 -1.49 -3.41 119.26 113.86 2rmj h ALA 865 Ca -0.50 -0.53 -0.19 0.00 0.00 0.00 0.00 54.91 53.70 2rmj h ALA 865 Cb 1.26 0.17 0.11 0.00 0.00 0.00 0.00 17.79 19.33 2rmj h ALA 865 CO 0.58 0.58 -0.09 0.54 0.00 0.00 0.00 179.25 180.86 2rmj n ARG 866 N -2.83 -2.57 0.31 0.00 5.12 -1.26 -4.72 116.66 110.71 2rmj n ARG 866 Ca -0.06 -0.75 0.15 0.00 -1.93 0.00 0.00 57.85 55.27 2rmj n ARG 866 Cb 0.73 -1.13 0.83 0.00 -1.16 0.00 0.00 32.46 31.73 2rmj n ARG 866 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 2rmj h GLN 867 N 0.00 0.00 -6.35 5.56 4.15 -2.00 -3.40 115.11 113.07 2rmj h GLN 867 Ca -0.20 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.68 2rmj h GLN 867 Cb 0.68 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.38 2rmj h GLN 867 CO 0.12 0.00 1.14 -0.80 -1.93 0.00 0.00 178.83 177.36 2rmj s ASN 868 N -4.42 6.55 -0.15 -0.69 0.02 -1.26 -4.84 114.94 110.15 2rmj s ASN 868 Ca -0.03 2.50 -0.04 0.00 -1.02 0.00 0.00 52.86 54.27 2rmj s ASN 868 Cb 0.09 -2.54 -0.08 0.00 0.02 0.00 0.00 41.25 38.74 2rmj s ASN 868 CO 0.28 -0.98 -0.16 0.00 0.02 0.00 0.00 177.10 176.25 2rmj n SER 870 N -3.35 4.87 -3.96 0.00 7.64 -1.26 -4.77 113.62 112.79 2rmj n SER 870 Ca -0.28 -3.04 -0.30 0.00 1.01 0.00 0.00 58.87 56.26 2rmj n SER 870 Cb 0.73 -0.85 -0.16 0.00 -1.01 0.00 0.00 64.21 62.93 2rmj n SER 870 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2rmj s HIS 871 N -2.01 2.42 -0.20 1.43 5.04 -1.26 -5.10 115.29 115.61 2rmj s HIS 871 Ca 0.34 -1.72 -0.08 0.00 -1.54 0.00 0.00 55.06 52.06 2rmj s HIS 871 Cb 0.28 -1.60 -0.04 0.00 0.04 0.00 0.00 32.58 31.26 2rmj s HIS 871 CO 0.03 -0.77 0.07 0.16 -2.34 0.00 0.00 174.74 171.90 2rmj s ASP 872 N 1.39 5.59 -0.14 9.88 1.47 -1.26 -2.41 116.67 131.18 2rmj s ASP 872 Ca -0.05 0.03 -0.18 0.00 1.18 0.00 0.00 52.55 53.53 2rmj s ASP 872 Cb -0.18 -1.97 -0.16 0.00 -0.34 0.00 0.00 42.92 40.27 2rmj s ASP 872 CO -0.07 0.13 0.42 -0.50 0.68 0.00 0.00 175.17 175.83 2rmj h TRP 873 N 7.04 0.00 0.00 2.11 4.06 -1.87 -3.48 115.95 123.81 2rmj h TRP 873 Ca -0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.58 2rmj h TRP 873 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2rmj h TRP 873 CO 0.59 0.70 0.00 0.41 -3.56 0.00 0.00 178.44 176.58 2rmj n GLY 874 N 1.64 3.89 3.51 1.49 0.00 -1.25 -4.67 105.19 109.80 2rmj n GLY 874 Ca -0.09 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 2rmj n GLY 874 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rmj s ILE 875 N -0.49 1.20 -0.18 -0.61 -5.25 -1.24 -3.18 121.20 111.46 2rmj s ILE 875 Ca 0.00 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 57.61 2rmj s ILE 875 Cb 0.00 -2.70 -0.03 0.00 2.95 0.00 0.00 42.46 42.68 2rmj s ILE 875 CO 0.00 0.00 0.00 -2.28 -1.79 0.00 0.00 174.94 170.87 2rmj s HIS 876 N -3.17 3.10 0.34 1.37 2.46 0.11 -3.07 115.29 116.43 2rmj s HIS 876 Ca 0.32 -0.23 -0.03 0.00 0.47 0.00 0.00 55.06 55.60 2rmj s HIS 876 Cb 0.07 -2.03 0.01 0.00 -0.13 0.00 0.00 32.58 30.50 2rmj s HIS 876 CO 0.15 -0.04 0.49 1.33 -2.47 0.00 0.00 174.74 174.20 2rmj n VAL 877 N 3.74 0.00 -4.10 0.89 0.24 -1.25 -2.97 118.33 114.87 2rmj n VAL 877 Ca -0.17 -1.64 -0.08 0.00 -2.04 0.00 0.00 64.34 60.41 2rmj n VAL 877 Cb 0.52 1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 33.83 2rmj n VAL 877 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2rmj s LYS 878 N -2.71 0.64 0.09 7.34 2.20 -1.25 -2.54 119.74 123.51 2rmj s LYS 878 Ca 0.27 -1.20 0.04 0.00 -0.36 0.00 0.00 55.97 54.72 2rmj s LYS 878 Cb -0.01 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.38 2rmj s LYS 878 CO 0.19 -0.08 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.51 2rmj s TYR 879 N -3.68 1.16 0.45 4.03 5.04 0.92 -4.64 117.35 120.62 2rmj s TYR 879 Ca 0.06 -0.57 0.33 0.00 -2.44 0.00 0.00 57.07 54.46 2rmj s TYR 879 Cb 0.06 -0.63 1.50 0.00 0.35 0.00 0.00 41.96 43.24 2rmj s TYR 879 CO -0.08 0.04 1.59 0.87 -1.34 0.00 0.00 175.55 176.63 2rmj h LYS 880 N 3.81 0.02 0.00 4.97 1.79 -2.03 -1.44 116.57 123.68 2rmj h LYS 880 Ca -0.39 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2rmj h LYS 880 Cb 1.19 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2rmj h LYS 880 CO 0.48 0.01 0.00 0.25 -1.08 0.00 0.00 179.45 179.11 2rmj n THR 881 N -4.69 0.00 -4.18 -0.16 -2.24 -1.26 -5.01 114.28 96.74 2rmj n THR 881 Ca 0.40 0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 62.78 2rmj n THR 881 Cb 1.57 -1.49 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 2rmj n THR 881 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2rmj s PHE 882 N -1.23 1.19 -0.43 4.78 0.08 -0.54 -5.13 117.98 116.70 2rmj s PHE 882 Ca 0.00 -1.36 -0.16 0.00 0.12 0.00 0.00 56.93 55.54 2rmj s PHE 882 Cb 0.00 -0.45 0.03 0.00 -0.57 0.00 0.00 43.02 42.03 2rmj s PHE 882 CO 0.00 -0.79 0.36 -1.83 -0.10 0.00 0.00 175.22 172.85 2rmj s GLU 883 N -3.85 3.00 0.04 0.44 -1.05 -1.26 -0.06 118.70 115.96 2rmj s GLU 883 Ca 0.36 -1.05 -0.13 0.00 -0.15 0.00 0.00 54.97 54.00 2rmj s GLU 883 Cb 0.04 -4.02 0.02 0.00 -0.44 0.00 0.00 34.13 29.73 2rmj s GLU 883 CO 0.16 -0.85 0.28 0.96 0.95 0.00 0.00 175.26 176.77 2rmj s ILE 884 N 1.78 0.09 0.49 1.83 -5.25 -1.05 -4.97 121.20 114.12 2rmj s ILE 884 Ca 0.06 -0.72 -0.20 0.00 -0.99 0.00 0.00 60.65 58.81 2rmj s ILE 884 Cb -0.20 -0.93 -0.08 0.00 2.95 0.00 0.00 42.46 44.19 2rmj s ILE 884 CO 0.10 -0.40 1.04 -2.16 -1.79 0.00 0.00 174.94 171.73 2rmj s PRO 885 N -2.56 3.78 -0.15 0.37 0.04 -1.26 -3.89 135.00 131.32 2rmj s PRO 885 Ca -0.05 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 2rmj s PRO 885 Cb -0.01 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2rmj s PRO 885 CO -0.03 -0.45 -0.13 0.54 0.04 0.00 0.00 177.00 176.96 2rmj s VAL 886 N -2.02 2.86 0.39 -0.36 0.11 -1.17 -4.35 120.40 115.87 2rmj s VAL 886 Ca 0.67 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 59.09 2rmj s VAL 886 Cb -0.16 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 2rmj s VAL 886 CO 0.21 0.51 0.22 -0.63 -3.33 0.00 0.00 175.10 172.07 2rmj s ILE 887 N 0.72 2.58 0.12 7.04 1.01 -0.33 -3.64 121.20 128.69 2rmj s ILE 887 Ca -0.06 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 58.99 2rmj s ILE 887 Cb -0.15 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.34 2rmj s ILE 887 CO 0.02 -0.05 0.11 2.29 0.00 0.00 0.00 174.94 177.31 2rmj n LYS 888 N -1.29 1.20 0.04 2.79 2.85 -1.26 -4.18 118.16 118.31 2rmj n LYS 888 Ca -0.01 -0.72 -0.12 0.00 -1.05 0.00 0.00 58.31 56.41 2rmj n LYS 888 Cb 0.63 0.04 -0.14 0.00 -0.65 0.00 0.00 35.03 34.92 2rmj n LYS 888 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 2rmj h ILE 889 N 0.38 1.20 -0.53 0.58 2.10 -1.93 -3.30 117.51 116.00 2rmj h ILE 889 Ca -0.07 -2.92 -0.32 0.00 1.08 0.00 0.00 64.86 62.63 2rmj h ILE 889 Cb 0.27 2.67 -0.16 0.00 -1.09 0.00 0.00 36.82 38.52 2rmj h ILE 889 CO 0.11 0.77 0.41 -1.84 -1.08 0.00 0.00 178.15 176.51 2rmj n GLU 890 N -3.31 1.78 -0.09 2.19 0.28 -1.20 -3.85 120.64 116.44 2rmj n GLU 890 Ca -0.13 -1.67 -0.10 0.00 -0.16 0.00 0.00 57.16 55.10 2rmj n GLU 890 Cb 1.02 -1.66 -0.14 0.00 1.43 0.00 0.00 31.44 32.09 2rmj n GLU 890 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2rmj n SER 891 N -0.08 0.73 -3.78 -1.84 2.88 -1.24 -5.05 113.62 105.23 2rmj n SER 891 Ca 0.33 -0.01 -0.09 0.00 -1.33 0.00 0.00 58.87 57.76 2rmj n SER 891 Cb 0.86 0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 65.08 2rmj n SER 891 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2rmj s PHE 892 N -2.44 -0.12 0.45 0.66 -0.12 -1.25 -4.66 117.98 110.49 2rmj s PHE 892 Ca -0.12 -0.25 0.03 0.00 -0.05 0.00 0.00 56.93 56.54 2rmj s PHE 892 Cb 0.06 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 2rmj s PHE 892 CO 0.72 -1.03 0.64 0.14 -0.05 0.00 0.00 175.22 175.64 2rmj s VAL 893 N -3.90 3.53 -0.20 -2.49 -7.23 0.16 -4.68 120.40 105.60 2rmj s VAL 893 Ca 0.11 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 2rmj s VAL 893 Cb -0.03 -3.28 0.05 0.00 0.56 0.00 0.00 36.38 33.68 2rmj s VAL 893 CO 0.01 -0.16 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.87 2rmj s VAL 894 N -2.51 1.43 -0.18 1.32 1.01 0.14 -0.88 120.40 120.74 2rmj s VAL 894 Ca 0.51 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2rmj s VAL 894 Cb -0.10 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2rmj s VAL 894 CO 0.36 0.09 -0.13 -0.70 0.00 0.00 0.00 175.10 174.72 2rmj s GLU 895 N 1.48 3.22 0.36 2.72 2.12 0.38 -1.68 118.70 127.30 2rmj s GLU 895 Ca -0.02 -0.73 -0.27 0.00 0.36 0.00 0.00 54.97 54.32 2rmj s GLU 895 Cb -0.16 -2.72 -0.09 0.00 0.26 0.00 0.00 34.13 31.42 2rmj s GLU 895 CO -0.08 -0.08 1.17 -0.51 -0.54 0.00 0.00 175.26 175.23 2rmj s ASP 896 N 1.07 6.74 0.00 -1.70 -0.00 -1.14 -0.54 116.67 121.09 2rmj s ASP 896 Ca -0.00 2.37 0.27 0.00 -0.00 0.00 0.00 52.55 55.18 2rmj s ASP 896 Cb -0.15 -2.62 0.80 0.00 -0.00 0.00 0.00 42.92 40.95 2rmj s ASP 896 CO -0.03 -0.52 1.60 -0.38 -0.00 0.00 0.00 175.17 175.83 2rmj n ILE 897 N 0.43 0.00 1.06 0.77 -0.00 -1.26 0.21 119.36 120.57 2rmj n ILE 897 Ca 0.02 -0.07 0.11 0.00 -0.00 0.00 0.00 62.75 62.81 2rmj n ILE 897 Cb 0.45 0.22 0.08 0.00 -0.00 0.00 0.00 39.64 40.40 2rmj n ILE 897 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2rmj n ALA 898 N -0.98 3.73 0.00 -1.39 0.00 -1.26 -4.64 120.51 115.97 2rmj n ALA 898 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2rmj n ALA 898 Cb 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2rmj n ALA 898 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rmj n THR 899 N -0.65 0.00 -0.24 0.00 -2.24 -1.20 -4.97 114.28 104.97 2rmj n THR 899 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2rmj n THR 899 Cb 0.40 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2rmj n THR 899 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rmj n GLY 900 N 1.27 0.86 3.57 3.38 0.00 0.57 -4.98 105.19 109.86 2rmj n GLY 900 Ca 0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2rmj n GLY 900 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rmj s VAL 901 N -2.00 4.46 0.22 1.61 1.01 -1.25 -4.72 120.40 119.73 2rmj s VAL 901 Ca 0.00 0.86 -0.09 0.00 0.00 0.00 0.00 61.98 62.75 2rmj s VAL 901 Cb 0.00 -4.43 -0.07 0.00 0.00 0.00 0.00 36.38 31.88 2rmj s VAL 901 CO 0.00 -0.80 0.53 0.00 0.00 0.00 0.00 175.10 174.82 2rmj s GLN 902 N 3.78 3.79 0.03 2.72 -2.07 -1.26 -2.89 119.66 123.76 2rmj s GLN 902 Ca 0.38 0.24 -0.17 0.00 -1.82 0.00 0.00 55.36 53.99 2rmj s GLN 902 Cb -0.10 -2.68 0.03 0.00 -1.09 0.00 0.00 33.01 29.17 2rmj s GLN 902 CO 0.26 0.34 0.38 0.99 -1.32 0.00 0.00 175.29 175.94 2rmj s THR 903 N -1.78 0.06 -0.07 3.63 2.01 -0.68 -4.91 115.64 113.91 2rmj s THR 903 Ca 0.46 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 2rmj s THR 903 Cb -0.11 -0.88 0.03 0.00 0.01 0.00 0.00 72.50 71.54 2rmj s THR 903 CO 0.21 -0.27 0.01 -1.48 -0.69 0.00 0.00 174.62 172.41 2rmj s LEU 904 N -1.84 0.53 0.47 4.42 0.05 -1.26 0.24 118.68 121.29 2rmj s LEU 904 Ca -0.07 -0.06 0.08 0.00 0.05 0.00 0.00 54.13 54.13 2rmj s LEU 904 Cb -0.02 -0.40 0.02 0.00 -2.05 0.00 0.00 46.19 43.74 2rmj s LEU 904 CO -0.01 -0.20 0.53 -0.31 -0.55 0.00 0.00 176.35 175.81 2rmj s TYR 905 N 1.99 2.34 -0.02 3.48 2.02 -1.26 -5.05 117.35 120.85 2rmj s TYR 905 Ca 0.05 -0.55 0.17 0.00 -0.37 0.00 0.00 57.07 56.37 2rmj s TYR 905 Cb -0.12 -2.21 0.31 0.00 -0.40 0.00 0.00 41.96 39.53 2rmj s TYR 905 CO -0.05 -0.47 1.13 0.45 -1.57 0.00 0.00 175.55 175.04 2rmj n SER 906 N -1.81 0.85 -3.65 2.29 2.88 -1.26 -3.23 113.62 109.69 2rmj n SER 906 Ca 0.07 -2.22 -0.08 0.00 -1.33 0.00 0.00 58.87 55.31 2rmj n SER 906 Cb 0.61 -0.30 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 2rmj n SER 906 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2rmj s LYS 907 N -0.42 0.65 0.61 -1.46 2.47 -1.26 -4.90 119.74 115.42 2rmj s LYS 907 Ca 0.25 1.14 0.33 0.00 -1.56 0.00 0.00 55.97 56.13 2rmj s LYS 907 Cb 0.28 0.11 1.95 0.00 -1.46 0.00 0.00 37.83 38.70 2rmj s LYS 907 CO -0.11 -0.15 2.28 -1.49 0.16 0.00 0.00 175.35 176.04 2rmj h TRP 908 N 7.02 0.00 0.00 4.03 6.55 -1.98 0.17 115.95 131.74 2rmj h TRP 908 Ca -0.31 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.53 2rmj h TRP 908 Cb 1.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.52 2rmj h TRP 908 CO 0.09 0.00 0.18 1.57 -1.05 0.00 0.00 178.44 179.23 2rmj h LYS 909 N 0.00 0.00 -0.80 0.49 2.10 -2.04 0.88 116.57 117.20 2rmj h LYS 909 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2rmj h LYS 909 Cb 0.02 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.26 2rmj h LYS 909 CO -0.00 0.00 0.18 -0.25 -2.00 0.00 0.00 179.45 177.38 2rmj n ASP 910 N -2.83 4.18 -4.74 7.07 9.92 0.60 -4.94 116.55 125.82 2rmj n ASP 910 Ca -0.02 -2.88 -0.41 0.00 -0.53 0.00 0.00 54.79 50.95 2rmj n ASP 910 Cb 0.23 -0.68 -0.04 0.00 -0.64 0.00 0.00 41.12 39.99 2rmj n ASP 910 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2rmj s PHE 911 N -2.36 3.52 -0.02 1.24 0.40 0.30 -4.91 117.98 116.16 2rmj s PHE 911 Ca 0.41 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 58.31 2rmj s PHE 911 Cb 0.33 -3.34 0.04 0.00 0.51 0.00 0.00 43.02 40.56 2rmj s PHE 911 CO 0.10 -0.83 0.83 1.58 0.70 0.00 0.00 175.22 177.60 2rmj n HIS 912 N 2.26 0.00 -1.80 0.36 -0.00 -1.26 -5.07 115.22 109.71 2rmj n HIS 912 Ca 0.03 -0.29 -0.07 0.00 0.46 0.00 0.00 57.72 57.85 2rmj n HIS 912 Cb 0.45 -0.04 0.04 0.00 -0.12 0.00 0.00 29.99 30.32 2rmj n HIS 912 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2rmj n PHE 913 N -0.35 -3.63 -4.26 1.57 3.01 -1.26 -5.11 117.46 107.43 2rmj n PHE 913 Ca 0.02 -0.38 -0.17 0.00 1.01 0.00 0.00 57.45 57.93 2rmj n PHE 913 Cb 0.48 -0.23 -0.14 0.00 -0.01 0.00 0.00 39.48 39.58 2rmj n PHE 913 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2rmj s GLU 914 N -3.41 0.63 -0.26 -1.08 -1.05 -1.26 -5.09 118.70 107.18 2rmj s GLU 914 Ca 0.18 -0.39 -0.28 0.00 -0.15 0.00 0.00 54.97 54.33 2rmj s GLU 914 Cb -0.01 -0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 33.06 2rmj s GLU 914 CO 0.12 0.15 1.97 -1.59 0.95 0.00 0.00 175.26 176.87 2rmj s LYS 915 N -0.47 3.32 0.00 -4.83 -2.85 -1.26 -4.58 119.74 109.07 2rmj s LYS 915 Ca 0.01 1.75 0.08 0.00 -1.00 0.00 0.00 55.97 56.82 2rmj s LYS 915 Cb -0.04 -4.26 -0.02 0.00 -2.06 0.00 0.00 37.83 31.45 2rmj s LYS 915 CO -0.00 -1.87 -0.25 0.42 0.10 0.00 0.00 175.35 173.74 2rmj s ILE 916 N 7.23 2.02 0.29 3.79 1.01 -1.21 -4.93 121.20 129.40 2rmj s ILE 916 Ca 0.88 -1.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 2rmj s ILE 916 Cb -0.28 -1.70 -0.09 0.00 0.01 0.00 0.00 42.46 40.40 2rmj s ILE 916 CO 0.34 0.49 1.08 -2.16 0.00 0.00 0.00 174.94 174.69 2rmj s PRO 917 N -0.80 4.61 -0.35 2.79 0.04 -1.26 -4.03 135.00 135.99 2rmj s PRO 917 Ca 0.10 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 2rmj s PRO 917 Cb -0.10 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.32 2rmj s PRO 917 CO 0.00 0.21 0.82 0.12 0.04 0.00 0.00 177.00 178.19 2rmj s PHE 918 N -1.22 3.12 0.01 0.56 2.19 -1.26 -5.01 117.98 116.37 2rmj s PHE 918 Ca 0.45 0.66 -0.23 0.00 0.33 0.00 0.00 56.93 58.14 2rmj s PHE 918 Cb -0.30 -3.44 -0.05 0.00 -1.31 0.00 0.00 43.02 37.92 2rmj s PHE 918 CO 0.39 -0.73 0.69 -0.51 1.83 0.00 0.00 175.22 176.89 2rmj s ASP 919 N 1.81 7.09 0.08 6.13 1.11 -1.26 -4.94 116.67 126.69 2rmj s ASP 919 Ca 0.33 1.31 0.23 0.00 0.18 0.00 0.00 52.55 54.60 2rmj s ASP 919 Cb -0.13 -2.42 0.92 0.00 1.07 0.00 0.00 42.92 42.36 2rmj s ASP 919 CO 0.17 0.03 1.71 -0.81 1.18 0.00 0.00 175.17 177.45 2rmj n PRO 920 N 2.91 0.08 0.16 8.23 -0.04 -1.26 -2.51 135.00 142.57 2rmj n PRO 920 Ca -0.04 0.19 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 2rmj n PRO 920 Cb 0.51 -1.61 0.25 0.00 -0.04 0.00 0.00 33.50 32.60 2rmj n PRO 920 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rmj h ALA 921 N 2.63 0.93 0.00 0.55 0.00 -1.97 -3.16 119.26 118.24 2rmj h ALA 921 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2rmj h ALA 921 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2rmj h ALA 921 CO 0.00 0.60 -0.41 0.93 0.00 0.00 0.00 179.25 180.37 2rmj h GLU 922 N 0.00 0.00 -0.99 0.00 5.08 -1.91 -3.35 114.58 113.42 2rmj h GLU 922 Ca -0.00 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.62 2rmj h GLU 922 Cb 1.03 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.10 2rmj h GLU 922 CO 0.06 0.99 0.01 0.52 -1.00 0.00 0.00 179.01 179.59 2rmj h MET 923 N -1.00 0.01 -6.14 2.33 2.86 -1.58 -3.41 114.93 108.00 2rmj h MET 923 Ca -0.11 -0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.00 2rmj h MET 923 Cb 1.09 -0.00 0.24 0.00 0.06 0.00 0.00 31.60 32.98 2rmj h MET 923 CO -0.07 0.01 -1.84 0.43 1.06 0.00 0.00 176.91 176.50 2rmj n SER 924 N -5.49 -4.70 0.00 1.22 7.64 -1.20 -4.96 113.62 106.12 2rmj n SER 924 Ca 0.23 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2rmj n SER 924 Cb 0.74 -0.78 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2rmj n SER 924 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20