#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 2.64 -0.01 -2.24 1.04 -1.26 -4.97 113.70 108.91 2rmj s SER 793 Ca 0.00 -0.51 0.20 0.00 0.48 0.00 0.00 55.95 56.12 2rmj s SER 793 Cb 0.00 -1.03 -0.23 0.00 0.10 0.00 0.00 66.02 64.86 2rmj s SER 793 CO 0.00 -0.11 0.77 1.67 0.98 0.00 0.00 173.24 176.55 2rmj n GLN 794 N 4.84 0.47 -3.70 4.02 7.27 -1.26 -4.97 117.38 124.05 2rmj n GLN 794 Ca -0.14 -0.03 -0.14 0.00 0.07 0.00 0.00 57.00 56.75 2rmj n GLN 794 Cb 0.49 -1.45 -0.08 0.00 2.41 0.00 0.00 30.24 31.62 2rmj n GLN 794 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2rmj s GLU 795 N -2.98 0.78 0.34 3.69 2.12 -1.26 -5.15 118.70 116.24 2rmj s GLU 795 Ca 0.05 -0.11 -0.26 0.00 0.36 0.00 0.00 54.97 55.01 2rmj s GLU 795 Cb 0.15 0.35 -0.10 0.00 0.26 0.00 0.00 34.13 34.79 2rmj s GLU 795 CO 0.82 -0.23 0.99 0.21 -0.54 0.00 0.00 175.26 176.52 2rmj s LYS 796 N -1.41 4.46 0.76 4.30 2.20 -1.26 -5.04 119.74 123.75 2rmj s LYS 796 Ca -0.12 1.44 -0.11 0.00 -0.36 0.00 0.00 55.97 56.82 2rmj s LYS 796 Cb -0.04 -2.76 0.05 0.00 -1.51 0.00 0.00 37.83 33.57 2rmj s LYS 796 CO 0.05 0.14 1.08 -1.25 -0.36 0.00 0.00 175.35 175.01 2rmj s PRO 797 N -2.12 2.37 0.31 4.03 0.04 -1.26 -5.08 135.00 133.28 2rmj s PRO 797 Ca 0.52 0.75 0.10 0.00 0.04 0.00 0.00 61.00 62.40 2rmj s PRO 797 Cb -0.21 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2rmj s PRO 797 CO 0.27 -1.45 -0.02 -1.59 0.04 0.00 0.00 177.00 174.25 2rmj s LYS 798 N -5.12 2.09 0.55 4.56 -2.85 -1.26 -5.12 119.74 112.59 2rmj s LYS 798 Ca 0.60 -1.64 -0.17 0.00 -1.00 0.00 0.00 55.97 53.75 2rmj s LYS 798 Cb -0.14 -1.98 -0.06 0.00 -2.06 0.00 0.00 37.83 33.59 2rmj s LYS 798 CO 0.54 0.23 1.04 -1.25 0.10 0.00 0.00 175.35 176.02 2rmj s PRO 799 N -3.68 3.55 0.07 1.78 0.04 -1.26 -5.07 135.00 130.43 2rmj s PRO 799 Ca 0.33 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.67 2rmj s PRO 799 Cb -0.03 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2rmj s PRO 799 CO 0.19 -0.63 -0.16 0.54 0.04 0.00 0.00 177.00 176.98 2rmj s VAL 800 N -2.30 1.26 0.00 -0.36 0.11 -1.26 -5.10 120.40 112.74 2rmj s VAL 800 Ca 0.64 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2rmj s VAL 800 Cb -0.16 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.52 2rmj s VAL 800 CO 0.30 -0.13 0.10 -0.81 -3.33 0.00 0.00 175.10 171.24 2rmj n PRO 801 N 1.38 0.00 -2.92 1.54 -0.04 -1.26 -5.05 135.00 128.65 2rmj n PRO 801 Ca -0.20 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.17 2rmj n PRO 801 Cb 0.54 -0.54 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2rmj n PRO 801 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rmj n ASP 802 N -0.42 0.52 -4.66 3.54 8.00 -1.26 -5.10 116.55 117.17 2rmj n ASP 802 Ca 0.00 -1.86 -0.46 0.00 0.71 0.00 0.00 54.79 53.18 2rmj n ASP 802 Cb 0.00 0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 2rmj n ASP 802 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2rmj n LYS 803 N -0.32 1.95 -3.17 -1.24 4.81 -1.26 -4.96 118.16 113.97 2rmj n LYS 803 Ca -0.00 0.70 0.03 0.00 -0.87 0.00 0.00 58.31 58.16 2rmj n LYS 803 Cb 0.24 -2.41 -0.02 0.00 0.02 0.00 0.00 35.03 32.86 2rmj n LYS 803 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2rmj s GLU 804 N 0.41 0.55 1.04 1.64 2.02 -1.26 -5.16 118.70 117.94 2rmj s GLU 804 Ca 0.76 0.94 -0.11 0.00 0.02 0.00 0.00 54.97 56.58 2rmj s GLU 804 Cb -0.71 0.44 0.22 0.00 0.10 0.00 0.00 34.13 34.17 2rmj s GLU 804 CO 0.43 -0.64 1.09 0.54 0.02 0.00 0.00 175.26 176.70 2rmj s ASN 805 N 2.82 1.86 0.18 -0.19 4.22 -1.26 -5.01 114.94 117.57 2rmj s ASN 805 Ca 0.20 1.90 0.11 0.00 -2.14 0.00 0.00 52.86 52.93 2rmj s ASN 805 Cb -0.15 -2.47 -0.04 0.00 1.28 0.00 0.00 41.25 39.87 2rmj s ASN 805 CO -0.21 -3.72 -0.24 -0.75 -2.04 0.00 0.00 177.10 170.15 2rmj s LYS 806 N -4.53 1.47 0.30 3.55 2.20 -1.26 -4.44 119.74 117.03 2rmj s LYS 806 Ca 0.68 -1.49 0.03 0.00 -0.36 0.00 0.00 55.97 54.82 2rmj s LYS 806 Cb -0.24 -1.78 -0.03 0.00 -1.51 0.00 0.00 37.83 34.27 2rmj s LYS 806 CO 0.61 0.39 0.46 0.21 -0.36 0.00 0.00 175.35 176.67 2rmj s LYS 807 N -2.63 3.44 0.05 4.03 2.20 0.11 -0.32 119.74 126.62 2rmj s LYS 807 Ca 0.19 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.30 2rmj s LYS 807 Cb -0.08 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2rmj s LYS 807 CO 0.09 0.26 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.69 2rmj s LEU 808 N -4.17 2.22 0.35 5.43 1.02 0.15 0.17 118.68 123.85 2rmj s LEU 808 Ca 0.38 -0.52 0.05 0.00 0.02 0.00 0.00 54.13 54.06 2rmj s LEU 808 Cb -0.09 -0.55 -0.07 0.00 0.02 0.00 0.00 46.19 45.50 2rmj s LEU 808 CO 0.33 -0.02 0.02 -0.76 0.02 0.00 0.00 176.35 175.94 2rmj s LEU 809 N -1.40 2.50 -0.37 1.79 1.02 0.12 -0.17 118.68 122.16 2rmj s LEU 809 Ca -0.00 -1.35 -0.11 0.00 0.02 0.00 0.00 54.13 52.69 2rmj s LEU 809 Cb -0.09 -0.63 0.03 0.00 0.02 0.00 0.00 46.19 45.53 2rmj s LEU 809 CO 0.02 -0.51 0.21 0.00 0.02 0.00 0.00 176.35 176.08 2rmj h ARG 811 N 8.44 0.00 0.00 0.00 1.12 -1.88 1.57 114.38 123.63 2rmj h ARG 811 Ca -0.25 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 2rmj h ARG 811 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 2rmj h ARG 811 CO 0.67 0.00 0.00 1.63 -3.11 0.00 0.00 179.97 179.16 2rmj n LYS 812 N -3.73 0.00 -0.25 0.20 4.01 -1.26 -3.51 118.16 113.62 2rmj n LYS 812 Ca 0.36 0.56 0.09 0.00 -0.51 0.00 0.00 58.31 58.80 2rmj n LYS 812 Cb 1.78 -1.13 0.17 0.00 -0.51 0.00 0.00 35.03 35.34 2rmj n LYS 812 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2rmj n LYS 814 N -1.31 -1.11 -4.56 0.00 4.76 0.53 -4.95 118.16 111.51 2rmj n LYS 814 Ca 0.17 0.48 -0.24 0.00 -2.87 0.00 0.00 58.31 55.86 2rmj n LYS 814 Cb 0.67 -3.87 -0.14 0.00 -1.84 0.00 0.00 35.03 29.85 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 -3.41 1.64 0.09 7.82 0.00 -1.15 -4.74 121.76 122.01 2rmj s ALA 815 Ca 0.42 -1.02 -0.35 0.00 0.00 0.00 0.00 51.96 51.01 2rmj s ALA 815 Cb -0.16 -0.30 -0.19 0.00 0.00 0.00 0.00 23.12 22.47 2rmj s ALA 815 CO 0.87 0.36 0.85 -0.11 0.00 0.00 0.00 175.76 177.73 2rmj n LEU 816 N 1.82 -0.47 0.00 0.00 -0.00 -1.26 0.12 117.00 117.21 2rmj n LEU 816 Ca -0.17 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 2rmj n LEU 816 Cb 0.54 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 2rmj n LEU 816 CO 0.23 -2.33 -0.44 0.00 -0.00 0.00 0.00 177.39 174.84 2rmj n ALA 817 N 0.89 2.32 -3.31 1.96 0.00 0.76 -4.63 120.51 118.49 2rmj n ALA 817 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.68 2rmj n ALA 817 Cb 0.15 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -3.31 1.61 -1.13 0.00 1.51 -1.26 0.35 117.35 115.11 2rmj s TYR 819 Ca 0.09 -0.56 0.27 0.00 -1.01 0.00 0.00 57.07 55.86 2rmj s TYR 819 Cb -0.00 -0.79 1.23 0.00 -0.11 0.00 0.00 41.96 42.29 2rmj s TYR 819 CO 0.00 0.27 1.89 -2.37 -1.11 0.00 0.00 175.55 174.23 2rmj n THR 820 N 0.04 0.13 0.90 -0.71 5.66 0.56 -2.49 114.28 118.37 2rmj n THR 820 Ca -0.11 0.03 0.13 0.00 -3.05 0.00 0.00 64.05 61.05 2rmj n THR 820 Cb 0.59 -0.57 0.46 0.00 -1.55 0.00 0.00 70.33 69.26 2rmj n THR 820 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rmj n ALA 821 N -1.43 2.65 0.25 1.79 0.00 -1.26 -3.24 120.51 119.27 2rmj n ALA 821 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.40 2rmj n ALA 821 Cb 0.29 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 2rmj n ALA 821 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rmj n ASP 822 N -1.68 1.07 -4.73 0.00 10.43 -1.04 -4.99 116.55 115.61 2rmj n ASP 822 Ca 0.06 -0.50 -0.42 0.00 2.57 0.00 0.00 54.79 56.50 2rmj n ASP 822 Cb 0.36 1.08 -0.03 0.00 1.84 0.00 0.00 41.12 44.37 2rmj n ASP 822 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2rmj s VAL 823 N -1.87 3.74 -0.24 2.53 1.01 -1.04 -1.78 120.40 122.75 2rmj s VAL 823 Ca 0.01 1.35 -0.06 0.00 0.00 0.00 0.00 61.98 63.28 2rmj s VAL 823 Cb 0.05 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.69 2rmj s VAL 823 CO 0.29 0.16 0.48 -0.13 0.00 0.00 0.00 175.10 175.90 2rmj s ARG 824 N 0.41 0.40 0.53 2.72 0.52 -0.99 -4.93 118.95 117.61 2rmj s ARG 824 Ca 0.56 1.04 -0.15 0.00 -0.52 0.00 0.00 55.73 56.66 2rmj s ARG 824 Cb -0.32 0.33 -0.07 0.00 0.52 0.00 0.00 34.95 35.42 2rmj s ARG 824 CO 0.33 -0.34 0.98 0.54 0.02 0.00 0.00 175.30 176.82 2rmj s VAL 825 N 2.69 4.60 -1.13 3.52 0.11 -1.26 -1.45 120.40 127.47 2rmj s VAL 825 Ca 0.02 1.08 -0.11 0.00 -2.93 0.00 0.00 61.98 60.05 2rmj s VAL 825 Cb -0.13 -3.76 0.25 0.00 -1.53 0.00 0.00 36.38 31.21 2rmj s VAL 825 CO -0.15 -0.78 1.18 -0.63 -3.33 0.00 0.00 175.10 171.39 2rmj s ILE 826 N -2.73 5.74 -1.42 7.04 1.01 -0.44 -3.26 121.20 127.14 2rmj s ILE 826 Ca 0.57 -3.18 -0.08 0.00 0.00 0.00 0.00 60.65 57.95 2rmj s ILE 826 Cb -0.10 -4.68 0.04 0.00 0.01 0.00 0.00 42.46 37.73 2rmj s ILE 826 CO 0.36 -1.29 0.95 -0.62 0.00 0.00 0.00 174.94 174.34 2rmj n GLU 827 N 3.51 -5.88 -1.74 2.79 -0.58 -1.26 -0.08 120.64 117.39 2rmj n GLU 827 Ca 0.27 0.66 -0.14 0.00 -0.42 0.00 0.00 57.16 57.53 2rmj n GLU 827 Cb 0.40 -5.50 -0.04 0.00 -0.57 0.00 0.00 31.44 25.73 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 -4.60 -1.04 -0.08 3.49 1.02 -1.26 -4.89 120.64 113.27 2rmj n GLU 828 Ca -0.08 0.88 -0.13 0.00 -0.02 0.00 0.00 57.16 57.81 2rmj n GLU 828 Cb 0.58 -5.05 -0.08 0.00 -0.02 0.00 0.00 31.44 26.88 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 -2.22 -0.53 -0.57 0.00 3.76 -1.26 -4.91 115.29 109.55 2rmj s HIS 830 Ca -0.20 1.10 -0.28 0.00 -0.15 0.00 0.00 55.06 55.53 2rmj s HIS 830 Cb 0.03 0.39 0.02 0.00 1.11 0.00 0.00 32.58 34.13 2rmj s HIS 830 CO 0.43 -0.38 1.28 0.71 -0.85 0.00 0.00 174.74 175.93 2rmj s TYR 831 N -0.52 2.48 -0.16 1.40 2.02 -1.26 -1.33 117.35 119.98 2rmj s TYR 831 Ca -0.02 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 2rmj s TYR 831 Cb -0.02 -4.47 0.03 0.00 -0.40 0.00 0.00 41.96 37.10 2rmj s TYR 831 CO 0.01 -1.74 -0.12 0.95 -1.57 0.00 0.00 175.55 173.09 2rmj s THR 832 N 5.35 1.50 0.60 -0.71 -4.23 -0.53 -3.40 115.64 114.23 2rmj s THR 832 Ca 0.47 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2rmj s THR 832 Cb -0.09 -1.50 0.04 0.00 1.34 0.00 0.00 72.50 72.30 2rmj s THR 832 CO 0.25 0.33 0.86 0.68 -0.54 0.00 0.00 174.62 176.21 2rmj s VAL 833 N 1.49 2.61 0.32 2.29 -7.23 -1.26 -2.36 120.40 116.27 2rmj s VAL 833 Ca 0.03 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.75 2rmj s VAL 833 Cb -0.14 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.75 2rmj s VAL 833 CO -0.09 -0.03 0.15 0.18 -0.31 0.00 0.00 175.10 175.00 2rmj n LEU 834 N -2.55 0.00 0.00 1.32 4.32 -0.73 -4.88 117.00 114.47 2rmj n LEU 834 Ca 0.08 -2.61 0.00 0.00 -0.02 0.00 0.00 56.01 53.45 2rmj n LEU 834 Cb 0.60 1.00 0.00 0.00 -1.62 0.00 0.00 43.42 43.40 2rmj n LEU 834 CO 0.48 -0.41 0.00 0.61 -1.22 0.00 0.00 177.39 176.85 2rmj n GLY 835 N -0.35 2.61 0.16 -0.72 0.00 -1.19 -4.72 105.19 100.98 2rmj n GLY 835 Ca -0.02 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.13 1.61 2.03 -1.86 -3.00 116.42 115.07 2rmj h ASP 836 Ca 0.00 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.23 2rmj h ASP 836 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2rmj h ASP 836 CO 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 179.24 178.09 2rmj h ALA 837 N 2.28 1.25 0.00 4.15 0.00 -1.97 -2.15 119.26 122.83 2rmj h ALA 837 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2rmj h ALA 837 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2rmj h ALA 837 CO 0.00 0.49 -0.44 0.35 0.00 0.00 0.00 179.25 179.65 2rmj h PHE 838 N 0.45 0.00 -0.41 0.00 3.57 -1.81 -3.26 116.94 115.49 2rmj h PHE 838 Ca 0.08 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2rmj h PHE 838 Cb 0.49 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2rmj h PHE 838 CO 0.02 0.11 0.22 0.87 -2.23 0.00 0.00 178.31 177.30 2rmj h LYS 839 N 0.00 0.55 -0.00 1.11 1.57 -1.34 0.12 116.57 118.58 2rmj h LYS 839 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2rmj h LYS 839 Cb 1.10 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2rmj h LYS 839 CO 0.01 0.41 -0.28 -0.85 -0.57 0.00 0.00 179.45 178.17 2rmj n GLU 840 N -4.43 0.33 0.07 3.15 0.28 -1.18 -3.41 120.64 115.45 2rmj n GLU 840 Ca 0.03 -0.16 -0.05 0.00 -0.16 0.00 0.00 57.16 56.82 2rmj n GLU 840 Cb 0.10 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.38 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 -3.35 0.00 -4.00 0.00 -1.74 -0.95 -2.52 117.46 104.90 2rmj n PHE 842 Ca 0.00 -0.05 -0.10 0.00 -0.56 0.00 0.00 57.45 56.74 2rmj n PHE 842 Cb 0.90 -0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.85 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 -1.52 0.00 -0.10 1.97 -7.23 0.21 -4.31 120.40 109.42 2rmj s VAL 843 Ca 0.00 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 58.70 2rmj s VAL 843 Cb 0.00 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.60 2rmj s VAL 843 CO 0.00 0.00 0.23 -0.55 -0.31 0.00 0.00 175.10 174.48 2rmj s SER 844 N -3.08 -0.24 0.11 4.85 0.15 -1.26 -1.42 113.70 112.80 2rmj s SER 844 Ca 0.24 0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.48 2rmj s SER 844 Cb -0.01 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 2rmj s SER 844 CO 0.12 -0.16 -0.26 -0.13 1.20 0.00 0.00 173.24 174.01 2rmj s ARG 845 N 1.14 1.53 -0.46 5.44 1.81 -0.23 -4.98 118.95 123.19 2rmj s ARG 845 Ca -0.08 -1.28 -0.28 0.00 -1.72 0.00 0.00 55.73 52.37 2rmj s ARG 845 Cb -0.10 -1.93 0.01 0.00 -0.45 0.00 0.00 34.95 32.48 2rmj s ARG 845 CO -0.07 0.47 1.44 -1.25 -0.68 0.00 0.00 175.30 175.21 2rmj s PRO 846 N -1.83 3.44 -0.45 3.54 0.04 -1.26 -1.60 135.00 136.88 2rmj s PRO 846 Ca 0.14 0.79 0.07 0.00 0.04 0.00 0.00 61.00 62.03 2rmj s PRO 846 Cb -0.10 -4.08 0.29 0.00 0.04 0.00 0.00 34.50 30.66 2rmj s PRO 846 CO 0.05 -1.74 0.91 1.58 0.04 0.00 0.00 177.00 177.84 2rmj n HIS 847 N 9.26 -2.23 -2.51 0.56 -0.00 -1.25 -4.95 115.22 114.09 2rmj n HIS 847 Ca 0.16 -2.46 -0.40 0.00 0.46 0.00 0.00 57.72 55.48 2rmj n HIS 847 Cb 0.48 1.05 -0.05 0.00 -0.12 0.00 0.00 29.99 31.36 2rmj n HIS 847 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2rmj s PRO 848 N -0.20 4.66 0.09 1.57 0.04 -1.20 -4.44 135.00 135.52 2rmj s PRO 848 Ca 0.30 1.76 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2rmj s PRO 848 Cb 0.27 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2rmj s PRO 848 CO -0.12 0.25 -0.10 -1.59 0.04 0.00 0.00 177.00 175.48 2rmj s LYS 849 N -1.43 0.81 0.60 4.56 -2.85 -1.26 -5.04 119.74 115.13 2rmj s LYS 849 Ca 0.44 -1.12 -0.15 0.00 -1.00 0.00 0.00 55.97 54.14 2rmj s LYS 849 Cb -0.31 -0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 34.92 2rmj s LYS 849 CO 0.40 0.08 1.05 -1.25 0.10 0.00 0.00 175.35 175.72 2rmj s PRO 850 N -2.69 3.35 0.16 1.78 0.04 -1.26 -4.95 135.00 131.43 2rmj s PRO 850 Ca 0.04 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.03 2rmj s PRO 850 Cb -0.03 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.52 2rmj s PRO 850 CO -0.00 -0.78 0.52 0.15 0.04 0.00 0.00 177.00 176.93 2rmj s LYS 851 N -4.19 1.24 -0.06 4.56 1.02 -1.26 -5.10 119.74 115.94 2rmj s LYS 851 Ca 0.62 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.93 2rmj s LYS 851 Cb -0.15 0.54 -0.02 0.00 -0.52 0.00 0.00 37.83 37.68 2rmj s LYS 851 CO 0.38 -0.52 -0.10 1.04 -0.92 0.00 0.00 175.35 175.24 2rmj n GLN 852 N -0.32 0.19 -4.05 1.68 3.00 -1.26 -5.03 117.38 111.59 2rmj n GLN 852 Ca -0.15 0.24 -0.14 0.00 -0.01 0.00 0.00 57.00 56.94 2rmj n GLN 852 Cb 0.64 -1.00 -0.14 0.00 0.00 0.00 0.00 30.24 29.74 2rmj n GLN 852 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 2rmj s PHE 853 N -1.59 0.34 -0.24 1.08 -0.71 -1.26 -5.15 117.98 110.45 2rmj s PHE 853 Ca -0.08 -0.13 -0.28 0.00 -1.04 0.00 0.00 56.93 55.39 2rmj s PHE 853 Cb 0.01 -0.21 0.16 0.00 -1.21 0.00 0.00 43.02 41.77 2rmj s PHE 853 CO 0.12 -0.03 1.22 0.45 -1.34 0.00 0.00 175.22 175.64 2rmj s SER 854 N -0.33 -0.19 0.18 1.98 0.15 -1.26 -5.05 113.70 109.19 2rmj s SER 854 Ca -0.01 0.25 -0.27 0.00 0.70 0.00 0.00 55.95 56.62 2rmj s SER 854 Cb -0.03 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 2rmj s SER 854 CO -0.00 -0.15 1.55 0.28 1.20 0.00 0.00 173.24 176.12 2rmj h SER 855 N 2.58 -1.89 -2.41 5.45 0.02 -2.05 -3.42 113.55 111.84 2rmj h SER 855 Ca -0.16 0.31 -0.56 0.00 -0.84 0.00 0.00 61.79 60.55 2rmj h SER 855 Cb 1.18 0.87 -0.13 0.00 0.14 0.00 0.00 62.40 64.46 2rmj h SER 855 CO 0.23 -0.26 -0.60 -0.36 -1.14 0.00 0.00 176.83 174.70 2rmj s PHE 856 N -5.66 2.23 -0.46 3.45 0.08 -1.26 -5.11 117.98 111.25 2rmj s PHE 856 Ca -0.13 -0.82 -0.02 0.00 0.12 0.00 0.00 56.93 56.08 2rmj s PHE 856 Cb 0.14 -1.53 0.12 0.00 -0.57 0.00 0.00 43.02 41.18 2rmj s PHE 856 CO 0.65 0.23 0.25 -1.83 -0.10 0.00 0.00 175.22 174.42 2rmj s GLU 857 N -3.80 2.10 0.01 0.44 -1.05 -1.26 -5.07 118.70 110.07 2rmj s GLU 857 Ca 0.35 -2.01 -0.28 0.00 -0.15 0.00 0.00 54.97 52.88 2rmj s GLU 857 Cb 0.09 -3.59 -0.04 0.00 -0.44 0.00 0.00 34.13 30.15 2rmj s GLU 857 CO 0.16 -1.09 0.89 -1.59 0.95 0.00 0.00 175.26 174.58 2rmj s LYS 858 N 0.80 4.55 -0.06 -4.83 -2.85 -1.26 -4.35 119.74 111.74 2rmj s LYS 858 Ca 0.11 1.26 0.09 0.00 -1.00 0.00 0.00 55.97 56.43 2rmj s LYS 858 Cb -0.22 -3.43 0.13 0.00 -2.06 0.00 0.00 37.83 32.26 2rmj s LYS 858 CO -0.04 0.07 1.03 0.54 0.10 0.00 0.00 175.35 177.05 2rmj n ARG 859 N 3.51 0.93 -3.55 1.78 1.74 -1.20 -4.39 116.66 115.47 2rmj n ARG 859 Ca 0.03 -1.75 -0.01 0.00 -0.77 0.00 0.00 57.85 55.35 2rmj n ARG 859 Cb 0.51 -1.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.88 2rmj n ARG 859 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rmj s ALA 860 N -1.45 -2.30 0.77 7.54 0.00 -1.25 -3.26 121.76 121.80 2rmj s ALA 860 Ca 0.15 2.23 -0.12 0.00 0.00 0.00 0.00 51.96 54.22 2rmj s ALA 860 Cb 0.13 -1.84 0.05 0.00 0.00 0.00 0.00 23.12 21.47 2rmj s ALA 860 CO 0.01 -0.81 1.11 0.15 0.00 0.00 0.00 175.76 176.22 2rmj s LYS 861 N 2.41 2.30 -0.02 0.00 3.01 -0.63 -0.73 119.74 126.09 2rmj s LYS 861 Ca -0.05 0.49 0.01 0.00 -1.01 0.00 0.00 55.97 55.41 2rmj s LYS 861 Cb -0.08 -1.95 0.01 0.00 -1.01 0.00 0.00 37.83 34.79 2rmj s LYS 861 CO -0.18 -1.44 -0.04 0.96 0.51 0.00 0.00 175.35 175.16 2rmj s ILE 862 N -3.28 0.38 0.33 2.17 -5.25 -1.25 -1.07 121.20 113.23 2rmj s ILE 862 Ca 0.60 -0.14 0.04 0.00 -0.99 0.00 0.00 60.65 60.16 2rmj s ILE 862 Cb -0.13 -0.37 -0.04 0.00 2.95 0.00 0.00 42.46 44.88 2rmj s ILE 862 CO 0.53 0.14 0.14 -0.36 -1.79 0.00 0.00 174.94 173.60 2rmj s PHE 863 N 0.31 1.69 0.27 1.37 0.08 -0.51 -3.61 117.98 117.58 2rmj s PHE 863 Ca -0.03 -1.31 -0.30 0.00 0.12 0.00 0.00 56.93 55.41 2rmj s PHE 863 Cb -0.07 -0.98 -0.09 0.00 -0.57 0.00 0.00 43.02 41.31 2rmj s PHE 863 CO -0.00 -0.42 1.09 0.00 -0.10 0.00 0.00 175.22 175.79 2rmj h ALA 865 N 3.97 1.00 -1.80 0.00 0.00 -1.68 -3.42 119.26 117.32 2rmj h ALA 865 Ca -0.46 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.07 2rmj h ALA 865 Cb 1.21 0.00 0.21 0.00 0.00 0.00 0.00 17.79 19.21 2rmj h ALA 865 CO 0.68 0.00 -0.45 0.54 0.00 0.00 0.00 179.25 180.01 2rmj n ARG 866 N -2.65 -2.79 -0.35 0.00 5.12 -1.26 -4.78 116.66 109.95 2rmj n ARG 866 Ca 0.04 -0.81 0.29 0.00 -1.93 0.00 0.00 57.85 55.44 2rmj n ARG 866 Cb 0.41 -1.82 0.60 0.00 -1.16 0.00 0.00 32.46 30.50 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 -2.75 0.22 -6.54 5.56 4.15 -2.01 -3.38 115.11 110.35 2rmj h GLN 867 Ca -0.47 -0.01 -0.53 0.00 0.77 0.00 0.00 58.65 58.40 2rmj h GLN 867 Cb 1.23 -0.05 0.02 0.00 0.21 0.00 0.00 27.48 28.89 2rmj h GLN 867 CO 0.33 0.15 0.69 -0.80 -1.93 0.00 0.00 178.83 177.27 2rmj s ASN 868 N -5.06 6.87 -0.04 -0.69 -0.87 -1.26 -4.88 114.94 109.00 2rmj s ASN 868 Ca -0.08 2.28 0.13 0.00 -1.57 0.00 0.00 52.86 53.62 2rmj s ASN 868 Cb 0.26 -2.59 -0.20 0.00 -0.02 0.00 0.00 41.25 38.70 2rmj s ASN 868 CO 0.81 -0.61 0.24 0.00 -2.57 0.00 0.00 177.10 174.96 2rmj n SER 870 N -2.09 4.43 -4.21 0.00 2.88 -1.26 -4.76 113.62 108.62 2rmj n SER 870 Ca -0.07 -3.05 -0.36 0.00 -1.33 0.00 0.00 58.87 54.06 2rmj n SER 870 Cb 0.48 -0.80 -0.13 0.00 -0.75 0.00 0.00 64.21 63.01 2rmj n SER 870 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2rmj s HIS 871 N -2.09 3.30 -0.25 0.66 4.02 -1.26 -5.04 115.29 114.62 2rmj s HIS 871 Ca 0.36 -1.74 -0.09 0.00 1.02 0.00 0.00 55.06 54.62 2rmj s HIS 871 Cb 0.30 -2.33 -0.04 0.00 -1.02 0.00 0.00 32.58 29.49 2rmj s HIS 871 CO 0.05 -0.79 0.11 0.16 1.02 0.00 0.00 174.74 175.28 2rmj s ASP 872 N 1.41 5.48 -0.13 1.40 -4.77 -1.26 0.55 116.67 119.35 2rmj s ASP 872 Ca -0.02 -0.11 0.12 0.00 -3.30 0.00 0.00 52.55 49.24 2rmj s ASP 872 Cb -0.20 -1.99 -0.24 0.00 -1.09 0.00 0.00 42.92 39.40 2rmj s ASP 872 CO 0.00 -0.02 0.32 0.79 0.70 0.00 0.00 175.17 176.97 2rmj n TRP 873 N 4.82 0.54 0.00 2.11 7.02 -1.24 -4.97 117.44 125.72 2rmj n TRP 873 Ca -0.15 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2rmj n TRP 873 Cb 0.52 -1.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.31 2rmj n TRP 873 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2rmj n GLY 874 N 1.74 1.61 3.56 6.99 0.00 -1.26 -4.78 105.19 113.05 2rmj n GLY 874 Ca -0.27 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 1.12 0.00 -0.19 -0.61 -5.25 -1.26 -3.88 121.20 111.14 2rmj s ILE 875 Ca 0.00 -1.46 -0.04 0.00 -0.99 0.00 0.00 60.65 58.16 2rmj s ILE 875 Cb 0.00 -2.29 -0.02 0.00 2.95 0.00 0.00 42.46 43.10 2rmj s ILE 875 CO 0.00 0.00 -0.02 -2.28 -1.79 0.00 0.00 174.94 170.85 2rmj s HIS 876 N -3.89 3.02 0.35 1.37 2.46 0.09 -2.63 115.29 116.06 2rmj s HIS 876 Ca 0.24 -0.48 0.04 0.00 0.47 0.00 0.00 55.06 55.34 2rmj s HIS 876 Cb -0.00 -2.04 -0.03 0.00 -0.13 0.00 0.00 32.58 30.37 2rmj s HIS 876 CO 0.10 -0.22 0.16 0.14 -2.47 0.00 0.00 174.74 172.45 2rmj s VAL 877 N 0.86 0.44 0.02 0.89 -7.23 -1.21 -3.28 120.40 110.89 2rmj s VAL 877 Ca -0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2rmj s VAL 877 Cb -0.14 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2rmj s VAL 877 CO 0.02 0.00 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.99 2rmj s LYS 878 N -3.74 0.50 0.05 4.82 2.20 -1.26 -2.73 119.74 119.58 2rmj s LYS 878 Ca 0.32 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.48 2rmj s LYS 878 Cb 0.04 -0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 35.95 2rmj s LYS 878 CO 0.17 0.09 -0.07 -0.47 -0.36 0.00 0.00 175.35 174.72 2rmj s TYR 879 N -0.72 0.65 0.51 4.03 5.04 -0.59 -4.67 117.35 121.60 2rmj s TYR 879 Ca -0.03 -0.61 0.43 0.00 -2.44 0.00 0.00 57.07 54.42 2rmj s TYR 879 Cb -0.06 -0.39 1.64 0.00 0.35 0.00 0.00 41.96 43.49 2rmj s TYR 879 CO 0.00 -0.12 1.58 0.87 -1.34 0.00 0.00 175.55 176.54 2rmj h LYS 880 N 4.18 0.01 0.00 4.97 6.56 -2.04 -1.34 116.57 128.91 2rmj h LYS 880 Ca -0.35 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.24 2rmj h LYS 880 Cb 1.19 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2rmj h LYS 880 CO 0.46 0.01 0.00 0.25 -2.06 0.00 0.00 179.45 178.11 2rmj n THR 881 N -4.27 0.00 -4.02 -0.16 -2.24 -1.26 -5.03 114.28 97.30 2rmj n THR 881 Ca 0.42 0.63 -0.11 0.00 -2.27 0.00 0.00 64.05 62.72 2rmj n THR 881 Cb 1.81 -1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.00 0.61 -0.37 4.78 0.08 -0.51 -5.11 117.98 116.46 2rmj s PHE 882 Ca 0.00 -0.95 -0.11 0.00 0.12 0.00 0.00 56.93 55.99 2rmj s PHE 882 Cb 0.00 0.13 0.03 0.00 -0.57 0.00 0.00 43.02 42.61 2rmj s PHE 882 CO 0.00 -1.08 0.21 -1.83 -0.10 0.00 0.00 175.22 172.42 2rmj s GLU 883 N -3.53 2.85 0.16 0.44 -1.05 -1.26 -1.54 118.70 114.77 2rmj s GLU 883 Ca 0.25 -1.07 -0.12 0.00 -0.15 0.00 0.00 54.97 53.89 2rmj s GLU 883 Cb -0.01 -3.74 0.01 0.00 -0.44 0.00 0.00 34.13 29.95 2rmj s GLU 883 CO 0.13 -0.69 0.34 0.96 0.95 0.00 0.00 175.26 176.95 2rmj s ILE 884 N 1.56 0.07 0.40 1.83 -5.25 -1.11 -5.00 121.20 113.70 2rmj s ILE 884 Ca 0.02 -1.11 -0.24 0.00 -0.99 0.00 0.00 60.65 58.33 2rmj s ILE 884 Cb -0.19 -1.62 -0.09 0.00 2.95 0.00 0.00 42.46 43.51 2rmj s ILE 884 CO 0.07 -0.31 1.06 -2.16 -1.79 0.00 0.00 174.94 171.80 2rmj s PRO 885 N -3.91 4.16 -0.25 0.37 0.04 -1.26 -3.32 135.00 130.82 2rmj s PRO 885 Ca 0.12 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 2rmj s PRO 885 Cb 0.02 -2.55 0.02 0.00 0.04 0.00 0.00 34.50 32.03 2rmj s PRO 885 CO -0.04 -0.15 -0.03 0.08 0.04 0.00 0.00 177.00 176.91 2rmj s VAL 886 N -1.64 3.22 0.46 -0.36 1.01 -1.08 -4.57 120.40 117.44 2rmj s VAL 886 Ca 0.58 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2rmj s VAL 886 Cb -0.23 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2rmj s VAL 886 CO 0.28 0.22 0.22 -0.63 0.00 0.00 0.00 175.10 175.19 2rmj s ILE 887 N 1.40 2.03 0.30 2.22 1.01 -1.22 -4.00 121.20 122.94 2rmj s ILE 887 Ca 0.02 -1.67 0.04 0.00 0.00 0.00 0.00 60.65 59.04 2rmj s ILE 887 Cb -0.16 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.65 2rmj s ILE 887 CO -0.03 0.00 0.31 0.29 0.00 0.00 0.00 174.94 175.51 2rmj n LYS 888 N -1.38 0.94 0.03 2.79 4.01 -1.26 -4.31 118.16 118.98 2rmj n LYS 888 Ca -0.03 -1.78 0.11 0.00 -0.51 0.00 0.00 58.31 56.10 2rmj n LYS 888 Cb 0.65 0.06 -0.05 0.00 -0.51 0.00 0.00 35.03 35.17 2rmj n LYS 888 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 2rmj n ILE 889 N -1.40 0.21 -0.37 -0.18 3.06 -1.26 -3.92 119.36 115.49 2rmj n ILE 889 Ca 0.03 -0.38 0.08 0.00 -2.50 0.00 0.00 62.75 59.99 2rmj n ILE 889 Cb 0.33 0.07 0.25 0.00 0.54 0.00 0.00 39.64 40.83 2rmj n ILE 889 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 2rmj n GLU 890 N -2.19 2.97 0.10 9.51 -0.00 -1.23 -3.66 120.64 126.14 2rmj n GLU 890 Ca -0.00 -2.44 -0.23 0.00 -0.00 0.00 0.00 57.16 54.48 2rmj n GLU 890 Cb 0.50 -1.51 -0.15 0.00 -0.00 0.00 0.00 31.44 30.28 2rmj n GLU 890 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2rmj h SER 891 N 3.06 0.68 -3.96 -1.84 0.87 -1.85 -3.47 113.55 107.04 2rmj h SER 891 Ca 0.00 -0.88 -0.38 0.00 -1.23 0.00 0.00 61.79 59.30 2rmj h SER 891 Cb 0.98 -0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.58 2rmj h SER 891 CO 0.05 1.72 -0.64 0.72 -0.53 0.00 0.00 176.83 178.15 2rmj s PHE 892 N -2.59 1.58 0.34 2.24 -0.12 -1.26 -4.44 117.98 113.73 2rmj s PHE 892 Ca -0.13 -0.98 0.03 0.00 -0.05 0.00 0.00 56.93 55.80 2rmj s PHE 892 Cb 0.05 -0.94 -0.02 0.00 -0.63 0.00 0.00 43.02 41.49 2rmj s PHE 892 CO 0.89 -0.10 0.51 0.14 -0.05 0.00 0.00 175.22 176.60 2rmj s VAL 893 N -3.49 4.56 -0.24 -2.49 -7.23 0.12 -4.60 120.40 107.03 2rmj s VAL 893 Ca 0.31 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 2rmj s VAL 893 Cb 0.07 -3.63 0.06 0.00 0.56 0.00 0.00 36.38 33.43 2rmj s VAL 893 CO 0.10 -0.33 -0.08 0.54 -0.31 0.00 0.00 175.10 175.02 2rmj s VAL 894 N -2.25 1.78 -0.19 1.32 0.11 0.11 -0.70 120.40 120.58 2rmj s VAL 894 Ca 0.42 -1.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.10 2rmj s VAL 894 Cb -0.10 -1.97 -0.00 0.00 -1.53 0.00 0.00 36.38 32.78 2rmj s VAL 894 CO 0.33 -0.05 -0.11 -0.70 -3.33 0.00 0.00 175.10 171.25 2rmj s GLU 895 N 1.28 3.27 0.36 1.54 2.12 0.44 -1.66 118.70 126.04 2rmj s GLU 895 Ca -0.07 -0.70 -0.27 0.00 0.36 0.00 0.00 54.97 54.30 2rmj s GLU 895 Cb -0.19 -2.80 -0.09 0.00 0.26 0.00 0.00 34.13 31.31 2rmj s GLU 895 CO -0.06 -0.11 1.14 -0.51 -0.54 0.00 0.00 175.26 175.19 2rmj s ASP 896 N 1.17 6.80 0.00 -1.70 1.01 -1.16 0.07 116.67 122.86 2rmj s ASP 896 Ca 0.02 2.31 0.26 0.00 0.71 0.00 0.00 52.55 55.85 2rmj s ASP 896 Cb -0.14 -2.62 0.71 0.00 1.01 0.00 0.00 42.92 41.88 2rmj s ASP 896 CO -0.04 -0.47 1.55 -0.38 0.21 0.00 0.00 175.17 176.04 2rmj n ILE 897 N 0.45 0.00 0.44 0.77 -0.00 -1.26 0.19 119.36 119.96 2rmj n ILE 897 Ca 0.02 -0.01 0.11 0.00 -0.00 0.00 0.00 62.75 62.87 2rmj n ILE 897 Cb 0.46 0.09 -0.12 0.00 -0.00 0.00 0.00 39.64 40.07 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 -1.40 3.61 0.00 -1.39 0.00 -1.26 -4.65 120.51 115.42 2rmj n ALA 898 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2rmj n ALA 898 Cb 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.95 0.00 -0.45 0.00 -2.24 -1.21 -5.04 114.28 103.39 2rmj n THR 899 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2rmj n THR 899 Cb 0.46 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 2.71 0.75 3.56 3.38 0.00 0.51 -4.97 105.19 111.13 2rmj n GLY 900 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 4.76 0.05 1.61 1.01 -1.25 -4.73 120.40 119.85 2rmj s VAL 901 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.40 2rmj s VAL 901 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 2rmj s VAL 901 CO 0.00 -0.53 0.38 0.00 0.00 0.00 0.00 175.10 174.95 2rmj s GLN 902 N 3.02 3.75 -0.10 2.72 -2.07 -1.25 -2.98 119.66 122.75 2rmj s GLN 902 Ca 0.28 0.17 -0.18 0.00 -1.82 0.00 0.00 55.36 53.81 2rmj s GLN 902 Cb -0.13 -3.05 0.04 0.00 -1.09 0.00 0.00 33.01 28.78 2rmj s GLN 902 CO 0.19 0.60 0.43 0.99 -1.32 0.00 0.00 175.29 176.18 2rmj s THR 903 N -1.32 0.02 -0.23 3.63 2.01 -0.67 -4.89 115.64 114.19 2rmj s THR 903 Ca 0.30 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2rmj s THR 903 Cb -0.14 -0.68 0.05 0.00 0.01 0.00 0.00 72.50 71.74 2rmj s THR 903 CO 0.17 -0.10 -0.13 -1.48 -0.69 0.00 0.00 174.62 172.39 2rmj s LEU 904 N -0.54 2.98 0.92 4.42 0.05 -1.26 0.08 118.68 125.33 2rmj s LEU 904 Ca -0.07 -1.16 -0.14 0.00 0.05 0.00 0.00 54.13 52.82 2rmj s LEU 904 Cb -0.03 -1.48 0.15 0.00 -2.05 0.00 0.00 46.19 42.77 2rmj s LEU 904 CO 0.03 -0.14 1.19 -0.31 -0.55 0.00 0.00 176.35 176.57 2rmj s TYR 905 N 1.19 2.26 -0.05 3.48 2.02 -1.24 -5.00 117.35 120.01 2rmj s TYR 905 Ca -0.05 0.67 0.02 0.00 -0.37 0.00 0.00 57.07 57.33 2rmj s TYR 905 Cb -0.18 -3.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.74 2rmj s TYR 905 CO -0.07 -2.39 -0.03 -1.13 -1.57 0.00 0.00 175.55 170.36 2rmj n SER 906 N -3.72 3.68 -4.56 2.29 3.41 -1.26 -3.56 113.62 109.90 2rmj n SER 906 Ca 0.10 -0.02 -0.24 0.00 -0.26 0.00 0.00 58.87 58.45 2rmj n SER 906 Cb 0.60 0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.61 2rmj n SER 906 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2rmj s LYS 907 N -2.11 1.97 0.04 4.33 2.47 -1.26 -4.59 119.74 120.60 2rmj s LYS 907 Ca -0.06 -1.63 0.03 0.00 -1.56 0.00 0.00 55.97 52.75 2rmj s LYS 907 Cb 0.02 -1.94 -0.25 0.00 -1.46 0.00 0.00 37.83 34.20 2rmj s LYS 907 CO 0.15 0.32 1.01 -1.49 0.16 0.00 0.00 175.35 175.49 2rmj h TRP 908 N 2.06 0.23 -1.13 4.03 6.55 -1.96 -3.24 115.95 122.49 2rmj h TRP 908 Ca -0.42 -0.17 0.33 0.00 0.95 0.00 0.00 58.89 59.58 2rmj h TRP 908 Cb 1.25 -0.01 -0.05 0.00 -0.86 0.00 0.00 29.16 29.50 2rmj h TRP 908 CO 0.75 1.18 0.98 1.57 -1.05 0.00 0.00 178.44 181.87 2rmj h LYS 909 N 0.04 0.00 -1.38 0.49 2.10 -2.04 1.41 116.57 117.18 2rmj h LYS 909 Ca -0.16 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 58.07 2rmj h LYS 909 Cb 1.93 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 33.08 2rmj h LYS 909 CO 0.14 0.00 0.55 -3.47 -2.00 0.00 0.00 179.45 174.68 2rmj n ASP 910 N -3.76 6.84 -4.84 7.07 -0.08 -1.22 -4.95 116.55 115.60 2rmj n ASP 910 Ca 0.25 -3.28 -0.32 0.00 -1.51 0.00 0.00 54.79 49.93 2rmj n ASP 910 Cb 1.34 -1.04 -0.01 0.00 2.34 0.00 0.00 41.12 43.76 2rmj n ASP 910 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2rmj s PHE 911 N -2.40 3.41 -0.03 -0.67 -0.12 0.48 -4.98 117.98 113.67 2rmj s PHE 911 Ca 0.41 1.42 0.05 0.00 -0.05 0.00 0.00 56.93 58.75 2rmj s PHE 911 Cb 0.32 -2.81 0.07 0.00 -0.63 0.00 0.00 43.02 39.98 2rmj s PHE 911 CO -0.01 -0.65 1.02 1.58 -0.05 0.00 0.00 175.22 177.12 2rmj n HIS 912 N -2.14 0.00 -4.15 3.49 -0.00 -1.26 -5.04 115.22 106.12 2rmj n HIS 912 Ca 0.07 -0.60 -0.14 0.00 0.46 0.00 0.00 57.72 57.51 2rmj n HIS 912 Cb 0.54 -0.07 -0.02 0.00 -0.12 0.00 0.00 29.99 30.31 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 -0.71 0.07 -4.26 1.57 3.72 -1.26 -5.17 117.46 111.42 2rmj n PHE 913 Ca 0.04 -1.13 -0.14 0.00 -0.05 0.00 0.00 57.45 56.17 2rmj n PHE 913 Cb 0.37 -0.17 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 2rmj n PHE 913 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2rmj s GLU 914 N -2.90 1.20 -0.03 -1.08 -1.05 -1.26 -5.11 118.70 108.47 2rmj s GLU 914 Ca 0.04 -1.61 -0.30 0.00 -0.15 0.00 0.00 54.97 52.96 2rmj s GLU 914 Cb -0.00 -0.19 -0.06 0.00 -0.44 0.00 0.00 34.13 33.44 2rmj s GLU 914 CO 0.03 -0.21 1.65 -1.59 0.95 0.00 0.00 175.26 176.09 2rmj s LYS 915 N -3.98 4.19 0.01 -4.83 -2.85 -1.26 -4.48 119.74 106.53 2rmj s LYS 915 Ca 0.29 2.21 0.04 0.00 -1.00 0.00 0.00 55.97 57.51 2rmj s LYS 915 Cb 0.07 -3.92 -0.01 0.00 -2.06 0.00 0.00 37.83 31.90 2rmj s LYS 915 CO 0.07 -0.82 -0.11 0.42 0.10 0.00 0.00 175.35 175.01 2rmj s ILE 916 N 3.79 0.89 -0.05 3.79 1.01 -1.20 -4.94 121.20 124.49 2rmj s ILE 916 Ca 0.73 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 2rmj s ILE 916 Cb -0.34 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2rmj s ILE 916 CO 0.30 0.13 1.22 -2.16 0.00 0.00 0.00 174.94 174.42 2rmj s PRO 917 N -0.59 4.35 -0.32 2.79 0.04 -1.26 -4.24 135.00 135.77 2rmj s PRO 917 Ca 0.02 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 2rmj s PRO 917 Cb -0.06 -3.55 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 2rmj s PRO 917 CO 0.00 -0.45 1.98 0.12 0.04 0.00 0.00 177.00 178.69 2rmj s PHE 918 N 2.19 1.54 -0.00 0.56 2.19 -1.26 -4.95 117.98 118.24 2rmj s PHE 918 Ca 0.57 0.66 -0.30 0.00 0.33 0.00 0.00 56.93 58.19 2rmj s PHE 918 Cb -0.25 -4.02 -0.03 0.00 -1.31 0.00 0.00 43.02 37.40 2rmj s PHE 918 CO 0.23 -3.28 0.98 -0.51 1.83 0.00 0.00 175.22 174.46 2rmj s ASP 919 N 7.31 7.37 0.38 6.13 1.01 -1.26 -4.92 116.67 132.69 2rmj s ASP 919 Ca 0.87 1.65 0.27 0.00 0.71 0.00 0.00 52.55 56.06 2rmj s ASP 919 Cb -0.25 -2.57 0.88 0.00 1.01 0.00 0.00 42.92 41.99 2rmj s ASP 919 CO 0.33 -0.26 1.78 1.55 0.21 0.00 0.00 175.17 178.78 2rmj h PRO 920 N 6.80 0.00 0.00 8.23 0.13 -1.95 -2.81 132.00 142.40 2rmj h PRO 920 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2rmj h PRO 920 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rmj h PRO 920 CO 0.75 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.46 2rmj h ALA 921 N 2.17 1.11 0.12 -0.56 0.00 -1.92 -2.34 119.26 117.84 2rmj h ALA 921 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 2rmj h ALA 921 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2rmj h ALA 921 CO 0.00 0.07 -1.82 0.93 0.00 0.00 0.00 179.25 178.43 2rmj h GLU 922 N 0.00 0.24 -0.33 0.00 5.08 -1.91 -3.37 114.58 114.29 2rmj h GLU 922 Ca -0.00 -0.42 0.07 0.00 -1.00 0.00 0.00 59.36 58.02 2rmj h GLU 922 Cb 0.32 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 2rmj h GLU 922 CO 0.01 1.10 -0.20 1.98 -1.00 0.00 0.00 179.01 180.90 2rmj h MET 923 N 0.07 -0.15 -3.15 2.33 4.05 -1.44 -3.14 114.93 113.50 2rmj h MET 923 Ca -0.35 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.03 2rmj h MET 923 Cb 2.04 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.86 2rmj h MET 923 CO 0.12 -0.10 0.21 -1.12 0.23 0.00 0.00 176.91 176.25 2rmj s SER 924 N -5.11 0.09 0.00 1.39 0.01 -1.11 -4.75 113.70 104.22 2rmj s SER 924 Ca -0.14 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2rmj s SER 924 Cb 0.13 0.82 0.00 0.00 0.21 0.00 0.00 66.02 67.18 2rmj s SER 924 CO 0.69 -1.61 0.37 1.17 0.41 0.00 0.00 173.24 174.27