#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 5.43 0.00 -1.12 0.01 -1.26 -4.98 113.70 111.78 2rmj s SER 793 Ca 0.00 0.18 0.30 0.00 1.31 0.00 0.00 55.95 57.75 2rmj s SER 793 Cb 0.00 -1.62 1.58 0.00 0.21 0.00 0.00 66.02 66.19 2rmj s SER 793 CO 0.00 0.36 2.07 0.00 0.41 0.00 0.00 173.24 176.08 2rmj n GLN 794 N 2.28 0.71 -1.99 12.44 1.13 -1.26 -4.85 117.38 125.83 2rmj n GLN 794 Ca -0.19 -0.08 -0.41 0.00 -1.94 0.00 0.00 57.00 54.39 2rmj n GLN 794 Cb 0.54 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 2rmj n GLN 794 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2rmj s GLU 795 N -2.34 4.26 0.25 -1.09 2.12 -1.26 -5.03 118.70 115.61 2rmj s GLU 795 Ca 0.35 2.35 0.10 0.00 0.36 0.00 0.00 54.97 58.13 2rmj s GLU 795 Cb 0.21 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.50 2rmj s GLU 795 CO 0.43 -0.36 -0.16 0.15 -0.54 0.00 0.00 175.26 174.78 2rmj s LYS 796 N -1.46 1.54 1.04 4.30 -0.14 -1.26 -5.15 119.74 118.61 2rmj s LYS 796 Ca 0.53 -1.71 -0.16 0.00 -1.36 0.00 0.00 55.97 53.27 2rmj s LYS 796 Cb -0.42 -1.46 0.22 0.00 -1.68 0.00 0.00 37.83 34.48 2rmj s LYS 796 CO 0.53 0.24 1.20 -1.25 -0.76 0.00 0.00 175.35 175.31 2rmj s PRO 797 N -3.58 0.05 0.16 -1.68 0.04 -1.26 -5.08 135.00 123.65 2rmj s PRO 797 Ca 0.27 -0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.24 2rmj s PRO 797 Cb -0.02 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2rmj s PRO 797 CO 0.12 -2.86 0.13 -1.59 0.04 0.00 0.00 177.00 172.84 2rmj s LYS 798 N -5.57 2.87 0.40 4.56 0.00 -1.26 -5.10 119.74 115.64 2rmj s LYS 798 Ca 0.70 -0.89 -0.24 0.00 0.00 0.00 0.00 55.97 55.55 2rmj s LYS 798 Cb -0.09 -2.63 -0.09 0.00 0.00 0.00 0.00 37.83 35.03 2rmj s LYS 798 CO 0.54 0.48 1.06 -1.25 0.00 0.00 0.00 175.35 176.18 2rmj s PRO 799 N -3.09 4.17 -0.02 1.78 0.04 -1.26 -5.05 135.00 131.57 2rmj s PRO 799 Ca 0.31 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.90 2rmj s PRO 799 Cb -0.10 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 2rmj s PRO 799 CO 0.23 -0.14 -0.05 0.08 0.04 0.00 0.00 177.00 177.17 2rmj s VAL 800 N -1.63 3.83 0.00 -0.36 1.01 -1.26 -5.08 120.40 116.90 2rmj s VAL 800 Ca 0.57 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2rmj s VAL 800 Cb -0.23 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2rmj s VAL 800 CO 0.28 0.46 0.01 -0.81 0.00 0.00 0.00 175.10 175.04 2rmj n PRO 801 N 1.73 0.00 -1.38 2.72 -0.04 -1.26 -4.97 135.00 131.80 2rmj n PRO 801 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 2rmj n PRO 801 Cb 0.53 -0.16 0.13 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.04 0.17 -3.59 3.54 5.68 -1.26 -5.11 116.55 115.93 2rmj n ASP 802 Ca 0.00 -1.38 -0.17 0.00 -0.50 0.00 0.00 54.79 52.74 2rmj n ASP 802 Cb 0.00 -0.67 -0.07 0.00 -1.14 0.00 0.00 41.12 39.24 2rmj n ASP 802 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2rmj s LYS 803 N -4.92 0.94 0.11 0.11 -2.85 -1.26 -5.18 119.74 106.69 2rmj s LYS 803 Ca 0.51 0.13 0.03 0.00 -1.00 0.00 0.00 55.97 55.64 2rmj s LYS 803 Cb -0.01 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 2rmj s LYS 803 CO 0.36 -0.28 0.09 0.39 0.10 0.00 0.00 175.35 176.01 2rmj n GLU 804 N 1.04 0.14 -0.58 1.78 -0.58 -1.26 -5.15 120.64 116.03 2rmj n GLU 804 Ca -0.20 -1.11 -0.30 0.00 -0.42 0.00 0.00 57.16 55.14 2rmj n GLU 804 Cb 0.57 0.91 0.21 0.00 -0.57 0.00 0.00 31.44 32.55 2rmj n GLU 804 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2rmj n ASN 805 N -2.56 -0.75 -4.33 1.62 6.94 -1.26 -5.03 115.26 109.89 2rmj n ASN 805 Ca 0.03 0.14 -0.27 0.00 -0.02 0.00 0.00 54.58 54.46 2rmj n ASN 805 Cb 0.20 -1.36 -0.13 0.00 -2.36 0.00 0.00 39.78 36.13 2rmj n ASN 805 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2rmj s LYS 806 N -4.47 1.30 0.09 -3.83 2.20 -1.26 -4.57 119.74 109.20 2rmj s LYS 806 Ca 0.67 -1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 55.02 2rmj s LYS 806 Cb -0.24 -1.65 -0.05 0.00 -1.51 0.00 0.00 37.83 34.38 2rmj s LYS 806 CO 0.62 0.39 0.32 0.21 -0.36 0.00 0.00 175.35 176.53 2rmj s LYS 807 N -1.86 3.59 0.23 4.03 2.20 -0.99 -0.04 119.74 126.90 2rmj s LYS 807 Ca 0.10 -0.13 0.11 0.00 -0.36 0.00 0.00 55.97 55.68 2rmj s LYS 807 Cb -0.10 -2.95 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2rmj s LYS 807 CO 0.05 0.54 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.93 2rmj s LEU 808 N -2.36 2.78 0.22 5.43 1.02 0.14 0.20 118.68 126.12 2rmj s LEU 808 Ca 0.36 -0.80 0.01 0.00 0.02 0.00 0.00 54.13 53.73 2rmj s LEU 808 Cb -0.13 -1.39 -0.05 0.00 0.02 0.00 0.00 46.19 44.65 2rmj s LEU 808 CO 0.23 0.06 0.06 -0.76 0.02 0.00 0.00 176.35 175.96 2rmj s LEU 809 N -3.19 1.83 -0.38 1.79 1.02 -0.27 -1.98 118.68 117.48 2rmj s LEU 809 Ca 0.27 -1.29 -0.11 0.00 0.02 0.00 0.00 54.13 53.02 2rmj s LEU 809 Cb -0.07 0.00 0.03 0.00 0.02 0.00 0.00 46.19 46.18 2rmj s LEU 809 CO 0.15 -0.66 0.22 0.00 0.02 0.00 0.00 176.35 176.08 2rmj h ARG 811 N 8.47 0.00 0.00 0.00 2.43 -1.88 1.32 114.38 124.71 2rmj h ARG 811 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2rmj h ARG 811 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2rmj h ARG 811 CO 0.68 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.77 2rmj n LYS 812 N -3.49 0.00 -0.11 0.20 4.76 -1.26 -3.57 118.16 114.69 2rmj n LYS 812 Ca 0.21 0.52 0.10 0.00 -2.87 0.00 0.00 58.31 56.26 2rmj n LYS 812 Cb 1.31 -1.07 0.15 0.00 -1.84 0.00 0.00 35.03 33.58 2rmj n LYS 812 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rmj n LYS 814 N -1.33 -1.48 -4.02 0.00 4.76 0.45 -4.98 118.16 111.55 2rmj n LYS 814 Ca 0.16 1.26 -0.11 0.00 -2.87 0.00 0.00 58.31 56.75 2rmj n LYS 814 Cb 0.66 -4.35 -0.12 0.00 -1.84 0.00 0.00 35.03 29.39 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 -2.92 0.32 0.08 7.82 0.00 -1.16 -4.80 121.76 121.11 2rmj s ALA 815 Ca 0.03 -0.58 -0.35 0.00 0.00 0.00 0.00 51.96 51.05 2rmj s ALA 815 Cb -0.01 0.07 -0.19 0.00 0.00 0.00 0.00 23.12 23.00 2rmj s ALA 815 CO 0.81 -0.07 0.87 -0.11 0.00 0.00 0.00 175.76 177.26 2rmj n LEU 816 N 1.78 -0.40 0.00 0.00 -0.00 -1.26 0.67 117.00 117.79 2rmj n LEU 816 Ca -0.22 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.94 2rmj n LEU 816 Cb 0.56 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2rmj n LEU 816 CO 0.21 -2.29 -0.34 0.00 -0.00 0.00 0.00 177.39 174.97 2rmj n ALA 817 N 0.94 2.46 -3.28 1.96 0.00 -0.84 -4.64 120.51 117.11 2rmj n ALA 817 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.66 2rmj n ALA 817 Cb 0.15 0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -4.41 0.60 -0.45 0.00 2.02 -1.26 0.26 117.35 114.11 2rmj s TYR 819 Ca 0.07 -0.41 0.20 0.00 -0.37 0.00 0.00 57.07 56.57 2rmj s TYR 819 Cb -0.01 -0.37 0.96 0.00 -0.40 0.00 0.00 41.96 42.14 2rmj s TYR 819 CO 0.01 -0.07 1.62 -2.37 -1.57 0.00 0.00 175.55 173.17 2rmj n THR 820 N 1.81 1.01 1.18 -0.71 5.66 0.94 -0.54 114.28 123.63 2rmj n THR 820 Ca -0.21 0.45 0.14 0.00 -3.05 0.00 0.00 64.05 61.39 2rmj n THR 820 Cb 0.55 -1.40 0.64 0.00 -1.55 0.00 0.00 70.33 68.57 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 -1.74 2.51 -0.19 1.79 0.00 -1.26 -2.98 120.51 118.64 2rmj n ALA 821 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2rmj n ALA 821 Cb 0.13 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.38 0.90 -4.73 0.00 8.00 0.30 -5.01 116.55 114.64 2rmj n ASP 822 Ca 0.10 -1.09 -0.37 0.00 0.71 0.00 0.00 54.79 54.14 2rmj n ASP 822 Cb 0.30 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 2rmj n ASP 822 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rmj s VAL 823 N -0.09 5.28 -0.14 2.53 0.11 -0.64 -0.91 120.40 126.54 2rmj s VAL 823 Ca 0.00 0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 59.66 2rmj s VAL 823 Cb 0.00 -3.68 0.07 0.00 -1.53 0.00 0.00 36.38 31.24 2rmj s VAL 823 CO 0.00 0.37 0.23 -0.13 -3.33 0.00 0.00 175.10 172.25 2rmj s ARG 824 N 0.51 0.14 0.51 1.54 3.00 0.11 -4.92 118.95 119.84 2rmj s ARG 824 Ca 0.19 0.59 -0.17 0.00 0.00 0.00 0.00 55.73 56.33 2rmj s ARG 824 Cb -0.13 -0.35 -0.08 0.00 0.00 0.00 0.00 34.95 34.38 2rmj s ARG 824 CO 0.05 -0.38 0.99 0.54 0.00 0.00 0.00 175.30 176.50 2rmj s VAL 825 N 2.38 4.42 -1.15 3.52 0.11 -1.26 -2.73 120.40 125.69 2rmj s VAL 825 Ca 0.03 1.22 -0.15 0.00 -2.93 0.00 0.00 61.98 60.16 2rmj s VAL 825 Cb -0.13 -3.66 0.16 0.00 -1.53 0.00 0.00 36.38 31.22 2rmj s VAL 825 CO -0.09 -0.60 1.37 -0.63 -3.33 0.00 0.00 175.10 171.82 2rmj s ILE 826 N -2.52 4.99 -1.31 7.04 1.01 -0.64 -3.45 121.20 126.32 2rmj s ILE 826 Ca 0.60 -2.45 -0.09 0.00 0.00 0.00 0.00 60.65 58.72 2rmj s ILE 826 Cb -0.11 -4.88 0.06 0.00 0.01 0.00 0.00 42.46 37.54 2rmj s ILE 826 CO 0.29 -1.59 0.49 -1.84 0.00 0.00 0.00 174.94 172.29 2rmj n GLU 827 N 5.78 -3.54 -1.93 2.79 0.28 -1.26 0.10 120.64 122.87 2rmj n GLU 827 Ca 0.34 0.52 -0.04 0.00 -0.16 0.00 0.00 57.16 57.82 2rmj n GLU 827 Cb 0.44 -5.25 -0.00 0.00 1.43 0.00 0.00 31.44 28.06 2rmj n GLU 827 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2rmj n GLU 828 N -3.75 -0.31 -0.09 3.44 1.02 -1.26 -4.94 120.64 114.75 2rmj n GLU 828 Ca -0.03 0.26 -0.23 0.00 -0.02 0.00 0.00 57.16 57.14 2rmj n GLU 828 Cb 0.55 -3.98 -0.12 0.00 -0.02 0.00 0.00 31.44 27.87 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 -2.47 -0.40 -0.14 0.00 3.76 -1.26 -4.91 115.29 109.88 2rmj s HIS 830 Ca -0.31 0.94 -0.29 0.00 -0.15 0.00 0.00 55.06 55.25 2rmj s HIS 830 Cb 0.09 0.38 -0.01 0.00 1.11 0.00 0.00 32.58 34.15 2rmj s HIS 830 CO 0.61 -0.19 1.05 0.71 -0.85 0.00 0.00 174.74 176.07 2rmj s TYR 831 N 0.33 3.41 0.30 1.40 2.02 -1.26 -1.62 117.35 121.94 2rmj s TYR 831 Ca 0.02 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.26 2rmj s TYR 831 Cb -0.05 -3.25 -0.06 0.00 -0.40 0.00 0.00 41.96 38.20 2rmj s TYR 831 CO -0.09 -0.47 0.05 0.95 -1.57 0.00 0.00 175.55 174.42 2rmj s THR 832 N 2.41 1.10 0.06 -0.71 -4.23 -1.10 -2.27 115.64 110.89 2rmj s THR 832 Ca 0.48 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 2rmj s THR 832 Cb -0.18 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2rmj s THR 832 CO 0.15 -0.05 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.37 2rmj s VAL 833 N -3.37 0.97 0.25 2.29 1.01 -1.26 0.09 120.40 120.38 2rmj s VAL 833 Ca 0.36 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2rmj s VAL 833 Cb 0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 2rmj s VAL 833 CO 0.14 -0.26 0.03 -1.48 0.00 0.00 0.00 175.10 173.53 2rmj s LEU 834 N -1.69 2.06 0.00 3.92 2.34 -0.08 -4.93 118.68 120.30 2rmj s LEU 834 Ca -0.04 -1.28 0.00 0.00 0.06 0.00 0.00 54.13 52.87 2rmj s LEU 834 Cb -0.10 -0.22 0.00 0.00 -0.56 0.00 0.00 46.19 45.32 2rmj s LEU 834 CO 0.02 -0.58 0.00 0.61 -1.06 0.00 0.00 176.35 175.34 2rmj n GLY 835 N -0.46 2.80 0.33 -3.48 0.00 -1.26 -4.58 105.19 98.53 2rmj n GLY 835 Ca -0.04 -1.46 0.21 0.00 0.00 0.00 0.00 46.02 44.74 2rmj n GLY 835 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2rmj h ASP 836 N 0.00 0.00 -0.53 1.61 5.19 -1.99 0.75 116.42 121.45 2rmj h ASP 836 Ca 0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2rmj h ASP 836 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2rmj h ASP 836 CO 0.00 0.00 0.07 0.00 -3.12 0.00 0.00 179.24 176.19 2rmj h ALA 837 N 1.99 1.04 0.00 3.45 0.00 -2.01 -2.36 119.26 121.37 2rmj h ALA 837 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2rmj h ALA 837 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2rmj h ALA 837 CO -0.00 0.61 -0.45 0.35 0.00 0.00 0.00 179.25 179.76 2rmj h PHE 838 N 0.88 0.00 -0.89 0.00 3.57 -1.13 -3.22 116.94 116.15 2rmj h PHE 838 Ca 0.18 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.70 2rmj h PHE 838 Cb 0.42 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 2rmj h PHE 838 CO 0.03 0.00 0.58 0.87 -2.23 0.00 0.00 178.31 177.56 2rmj h LYS 839 N 0.00 1.13 -0.00 1.11 1.57 -0.79 0.18 116.57 119.77 2rmj h LYS 839 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2rmj h LYS 839 Cb 0.99 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2rmj h LYS 839 CO 0.00 0.75 -0.23 -0.85 -0.57 0.00 0.00 179.45 178.55 2rmj n GLU 840 N -4.49 0.25 0.16 3.15 0.28 -1.15 -3.27 120.64 115.57 2rmj n GLU 840 Ca 0.10 -0.10 0.03 0.00 -0.16 0.00 0.00 57.16 57.04 2rmj n GLU 840 Cb 0.05 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.56 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 -3.99 0.00 -1.74 -0.92 -2.99 117.46 104.47 2rmj n PHE 842 Ca 0.01 -0.08 -0.10 0.00 -0.56 0.00 0.00 57.45 56.72 2rmj n PHE 842 Cb 0.65 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.61 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 -1.60 0.00 -0.16 1.97 -7.23 0.36 -4.31 120.40 109.43 2rmj s VAL 843 Ca 0.01 -1.38 -0.06 0.00 -1.81 0.00 0.00 61.98 58.75 2rmj s VAL 843 Cb 0.00 -2.33 0.07 0.00 0.56 0.00 0.00 36.38 34.69 2rmj s VAL 843 CO 0.00 0.00 0.32 -0.94 -0.31 0.00 0.00 175.10 174.18 2rmj s SER 844 N -3.05 0.10 0.03 4.85 1.04 -1.26 -2.39 113.70 113.01 2rmj s SER 844 Ca 0.22 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2rmj s SER 844 Cb -0.01 0.94 -0.04 0.00 0.10 0.00 0.00 66.02 67.01 2rmj s SER 844 CO 0.11 -0.23 0.11 -0.13 0.98 0.00 0.00 173.24 174.08 2rmj s ARG 845 N 2.46 3.12 0.00 4.02 1.81 -0.14 -4.99 118.95 125.23 2rmj s ARG 845 Ca -0.00 -0.51 0.00 0.00 -1.72 0.00 0.00 55.73 53.49 2rmj s ARG 845 Cb -0.12 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 2rmj s ARG 845 CO -0.10 0.62 0.00 -0.35 -0.68 0.00 0.00 175.30 174.79 2rmj n PRO 846 N 0.82 0.62 -2.31 3.54 -0.04 -1.26 -2.66 135.00 133.71 2rmj n PRO 846 Ca -0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 2rmj n PRO 846 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2rmj n PRO 846 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2rmj n HIS 847 N -0.76 -2.53 -0.19 0.54 8.25 -1.26 -4.61 115.22 114.66 2rmj n HIS 847 Ca 0.00 1.10 0.00 0.00 -0.26 0.00 0.00 57.72 58.56 2rmj n HIS 847 Cb 0.00 -3.15 0.00 0.00 1.12 0.00 0.00 29.99 27.96 2rmj n HIS 847 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2rmj n PRO 848 N 0.26 0.61 -4.24 -0.41 -0.04 -1.24 -4.71 135.00 125.22 2rmj n PRO 848 Ca 0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 2rmj n PRO 848 Cb 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.43 2rmj n PRO 848 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2rmj s LYS 849 N -0.78 1.02 0.07 0.54 -0.14 -1.26 -5.00 119.74 114.19 2rmj s LYS 849 Ca 0.00 -1.43 0.23 0.00 -1.36 0.00 0.00 55.97 53.40 2rmj s LYS 849 Cb 0.00 -0.55 0.92 0.00 -1.68 0.00 0.00 37.83 36.52 2rmj s LYS 849 CO 0.00 0.06 1.71 -0.35 -0.76 0.00 0.00 175.35 176.01 2rmj n PRO 850 N -0.17 0.07 -2.84 -1.68 -0.04 -1.26 -4.68 135.00 124.39 2rmj n PRO 850 Ca -0.10 0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 2rmj n PRO 850 Cb 0.61 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2rmj n PRO 850 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2rmj s LYS 851 N -3.06 4.26 0.08 0.54 -0.14 -1.26 -5.04 119.74 115.12 2rmj s LYS 851 Ca 0.10 1.07 0.07 0.00 -1.36 0.00 0.00 55.97 55.84 2rmj s LYS 851 Cb 0.13 -3.61 -0.03 0.00 -1.68 0.00 0.00 37.83 32.64 2rmj s LYS 851 CO 0.42 -0.44 -0.19 -1.14 -0.76 0.00 0.00 175.35 173.24 2rmj s GLN 852 N 2.56 1.11 0.44 1.68 2.00 -1.26 -4.89 119.66 121.30 2rmj s GLN 852 Ca 0.38 -1.06 0.06 0.00 -2.00 0.00 0.00 55.36 52.75 2rmj s GLN 852 Cb -0.16 -1.30 0.06 0.00 0.80 0.00 0.00 33.01 32.41 2rmj s GLN 852 CO 0.10 0.31 0.50 1.19 -0.50 0.00 0.00 175.29 176.88 2rmj n PHE 853 N 1.32 -1.81 -0.10 1.67 3.01 -1.25 -5.07 117.46 115.24 2rmj n PHE 853 Ca -0.19 -1.69 -0.16 0.00 1.01 0.00 0.00 57.45 56.42 2rmj n PHE 853 Cb 0.54 -0.39 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 2rmj n PHE 853 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2rmj n SER 854 N -2.25 2.11 0.17 4.37 7.64 -1.26 -4.71 113.62 119.69 2rmj n SER 854 Ca 0.07 0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.88 2rmj n SER 854 Cb 0.47 -0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 2rmj n SER 854 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2rmj h SER 855 N -0.28 -0.41 -1.13 6.43 0.02 -2.05 -3.47 113.55 112.67 2rmj h SER 855 Ca -0.45 -0.10 -0.58 0.00 -0.84 0.00 0.00 61.79 59.82 2rmj h SER 855 Cb 1.57 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 64.14 2rmj h SER 855 CO -0.16 0.04 -0.43 -0.36 -1.14 0.00 0.00 176.83 174.78 2rmj s PHE 856 N -3.64 2.24 -0.23 3.45 0.40 -1.26 -5.13 117.98 113.80 2rmj s PHE 856 Ca -0.11 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.50 2rmj s PHE 856 Cb 0.01 -1.93 0.11 0.00 0.51 0.00 0.00 43.02 41.71 2rmj s PHE 856 CO 0.36 -0.05 0.24 -1.83 0.70 0.00 0.00 175.22 174.64 2rmj s GLU 857 N -4.04 0.23 0.07 0.44 -1.05 -1.26 -3.75 118.70 109.33 2rmj s GLU 857 Ca 0.36 0.12 -0.11 0.00 -0.15 0.00 0.00 54.97 55.18 2rmj s GLU 857 Cb 0.01 -1.04 -0.06 0.00 -0.44 0.00 0.00 34.13 32.61 2rmj s GLU 857 CO 0.20 -0.75 0.42 -1.59 0.95 0.00 0.00 175.26 174.49 2rmj s LYS 858 N 2.34 3.82 0.00 -4.83 -2.85 -1.26 -2.34 119.74 114.62 2rmj s LYS 858 Ca 0.08 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.31 2rmj s LYS 858 Cb -0.15 -3.04 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 2rmj s LYS 858 CO -0.18 0.58 0.62 0.54 0.10 0.00 0.00 175.35 177.01 2rmj n ARG 859 N 1.11 0.87 -3.58 1.78 1.74 -0.42 -4.75 116.66 113.41 2rmj n ARG 859 Ca -0.09 -0.77 -0.07 0.00 -0.77 0.00 0.00 57.85 56.15 2rmj n ARG 859 Cb 0.52 -0.67 -0.04 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.30 -1.99 -0.14 7.54 0.00 -1.24 -3.72 121.76 121.91 2rmj s ALA 860 Ca 0.00 1.57 -0.10 0.00 0.00 0.00 0.00 51.96 53.43 2rmj s ALA 860 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2rmj s ALA 860 CO 0.00 -0.43 0.18 0.15 0.00 0.00 0.00 175.76 175.66 2rmj s LYS 861 N -1.76 3.82 -0.10 0.00 3.01 -1.09 -0.33 119.74 123.29 2rmj s LYS 861 Ca 0.05 -0.07 -0.01 0.00 -1.01 0.00 0.00 55.97 54.92 2rmj s LYS 861 Cb -0.01 -3.29 -0.03 0.00 -1.01 0.00 0.00 37.83 33.49 2rmj s LYS 861 CO -0.04 0.56 -0.05 0.96 0.51 0.00 0.00 175.35 177.29 2rmj s ILE 862 N -0.43 3.86 0.35 2.17 -5.25 -1.26 -0.96 121.20 119.68 2rmj s ILE 862 Ca 0.14 -0.40 0.05 0.00 -0.99 0.00 0.00 60.65 59.45 2rmj s ILE 862 Cb -0.12 -2.62 -0.03 0.00 2.95 0.00 0.00 42.46 42.63 2rmj s ILE 862 CO 0.03 0.57 0.19 -0.36 -1.79 0.00 0.00 174.94 173.58 2rmj s PHE 863 N -0.44 1.71 0.14 1.37 0.08 -1.00 -3.15 117.98 116.68 2rmj s PHE 863 Ca 0.07 -1.46 -0.30 0.00 0.12 0.00 0.00 56.93 55.36 2rmj s PHE 863 Cb -0.12 -0.89 -0.07 0.00 -0.57 0.00 0.00 43.02 41.37 2rmj s PHE 863 CO 0.02 -0.59 1.13 0.00 -0.10 0.00 0.00 175.22 175.68 2rmj n ALA 865 N 2.87 1.49 -0.74 0.00 0.00 -1.16 -4.12 120.51 118.85 2rmj n ALA 865 Ca 0.05 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 2rmj n ALA 865 Cb 0.46 -1.38 0.21 0.00 0.00 0.00 0.00 19.45 18.74 2rmj n ALA 865 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rmj n ARG 866 N -2.28 -3.42 0.05 0.00 5.12 -1.26 -4.84 116.66 110.03 2rmj n ARG 866 Ca 0.01 -1.21 0.18 0.00 -1.93 0.00 0.00 57.85 54.90 2rmj n ARG 866 Cb 0.18 -1.34 0.70 0.00 -1.16 0.00 0.00 32.46 30.84 2rmj n ARG 866 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2rmj h GLN 867 N 0.00 0.00 -5.64 5.56 4.20 -2.03 -3.35 115.11 113.85 2rmj h GLN 867 Ca -0.30 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.78 2rmj h GLN 867 Cb 0.98 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.62 2rmj h GLN 867 CO 0.19 0.00 0.51 -0.80 -0.67 0.00 0.00 178.83 178.06 2rmj s ASN 868 N -6.27 6.28 -0.04 1.46 0.01 -1.26 -4.77 114.94 110.34 2rmj s ASN 868 Ca -0.05 -0.60 0.13 0.00 -0.71 0.00 0.00 52.86 51.63 2rmj s ASN 868 Cb 0.19 -2.42 -0.19 0.00 0.41 0.00 0.00 41.25 39.24 2rmj s ASN 868 CO 0.70 -1.26 0.24 0.00 -1.51 0.00 0.00 177.10 175.27 2rmj n SER 870 N -2.05 0.16 -4.62 0.00 7.64 -1.26 -4.50 113.62 108.99 2rmj n SER 870 Ca -0.06 0.55 -0.41 0.00 1.01 0.00 0.00 58.87 59.97 2rmj n SER 870 Cb 0.45 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.11 3.26 -0.43 1.43 5.04 -1.26 -5.02 115.29 115.20 2rmj s HIS 871 Ca 0.03 0.81 -0.12 0.00 -1.54 0.00 0.00 55.06 54.25 2rmj s HIS 871 Cb 0.06 -2.97 0.07 0.00 0.04 0.00 0.00 32.58 29.77 2rmj s HIS 871 CO 0.18 -0.41 0.30 0.16 -2.34 0.00 0.00 174.74 172.63 2rmj s ASP 872 N 1.51 5.84 0.29 9.88 1.47 -1.26 -3.21 116.67 131.19 2rmj s ASP 872 Ca 0.28 -1.35 -0.01 0.00 1.18 0.00 0.00 52.55 52.65 2rmj s ASP 872 Cb -0.15 -2.06 0.44 0.00 -0.34 0.00 0.00 42.92 40.81 2rmj s ASP 872 CO 0.10 -0.55 1.90 -0.50 0.68 0.00 0.00 175.17 176.80 2rmj h TRP 873 N 8.53 0.92 0.00 2.11 4.06 -1.90 -3.47 115.95 126.20 2rmj h TRP 873 Ca -0.25 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2rmj h TRP 873 Cb 1.10 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 2rmj h TRP 873 CO 0.61 0.67 0.00 0.41 -3.56 0.00 0.00 178.44 176.57 2rmj n GLY 874 N -1.13 1.06 3.42 1.49 0.00 -1.26 -4.28 105.19 104.49 2rmj n GLY 874 Ca 0.06 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 2.44 0.02 -0.56 -0.61 -5.25 -1.22 -4.32 121.20 111.70 2rmj s ILE 875 Ca 0.00 -0.13 -0.21 0.00 -0.99 0.00 0.00 60.65 59.32 2rmj s ILE 875 Cb 0.00 -1.01 0.06 0.00 2.95 0.00 0.00 42.46 44.46 2rmj s ILE 875 CO 0.00 -0.07 0.78 -2.28 -1.79 0.00 0.00 174.94 171.58 2rmj s HIS 876 N -3.06 2.91 0.20 1.37 2.46 0.56 -2.91 115.29 116.81 2rmj s HIS 876 Ca -0.02 -0.47 0.07 0.00 0.47 0.00 0.00 55.06 55.11 2rmj s HIS 876 Cb -0.00 -3.89 -0.04 0.00 -0.13 0.00 0.00 32.58 28.52 2rmj s HIS 876 CO -0.07 -1.27 0.08 0.08 -2.47 0.00 0.00 174.74 171.09 2rmj s VAL 877 N 3.24 4.06 0.02 0.89 1.01 -1.26 -1.31 120.40 127.05 2rmj s VAL 877 Ca 0.20 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.80 2rmj s VAL 877 Cb -0.18 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2rmj s VAL 877 CO 0.13 -0.20 -0.07 -0.75 0.00 0.00 0.00 175.10 174.20 2rmj s LYS 878 N -3.29 0.52 0.33 2.72 2.20 -0.99 -3.36 119.74 117.87 2rmj s LYS 878 Ca 0.30 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.55 2rmj s LYS 878 Cb -0.09 -0.42 -0.05 0.00 -1.51 0.00 0.00 37.83 35.76 2rmj s LYS 878 CO 0.22 0.10 0.09 0.71 -0.36 0.00 0.00 175.35 176.11 2rmj s TYR 879 N -0.65 2.66 -1.37 4.03 1.51 0.11 -4.54 117.35 119.11 2rmj s TYR 879 Ca -0.02 -0.38 0.18 0.00 -1.01 0.00 0.00 57.07 55.84 2rmj s TYR 879 Cb -0.05 -1.54 0.87 0.00 -0.11 0.00 0.00 41.96 41.13 2rmj s TYR 879 CO 0.00 0.41 1.54 1.63 -1.11 0.00 0.00 175.55 178.02 2rmj n LYS 880 N -1.06 0.22 -0.13 -0.62 4.01 -1.26 -3.07 118.16 116.24 2rmj n LYS 880 Ca -0.04 0.13 -0.28 0.00 -0.51 0.00 0.00 58.31 57.61 2rmj n LYS 880 Cb 0.61 -1.50 -0.09 0.00 -0.51 0.00 0.00 35.03 33.54 2rmj n LYS 880 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2rmj n THR 881 N -1.31 1.45 -4.07 -0.18 5.66 -1.26 -5.08 114.28 109.49 2rmj n THR 881 Ca 0.08 -0.37 -0.12 0.00 -3.05 0.00 0.00 64.05 60.59 2rmj n THR 881 Cb 0.15 -1.86 -0.05 0.00 -1.55 0.00 0.00 70.33 67.02 2rmj n THR 881 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2rmj s PHE 882 N -2.48 0.79 -0.24 1.09 0.08 -1.17 -5.15 117.98 110.90 2rmj s PHE 882 Ca -0.37 -1.08 0.02 0.00 0.12 0.00 0.00 56.93 55.62 2rmj s PHE 882 Cb 0.14 -0.04 0.06 0.00 -0.57 0.00 0.00 43.02 42.61 2rmj s PHE 882 CO 0.47 -1.01 -0.09 -1.83 -0.10 0.00 0.00 175.22 172.66 2rmj s GLU 883 N -3.59 1.98 -0.12 0.44 -1.05 -1.26 0.10 118.70 115.20 2rmj s GLU 883 Ca 0.28 -1.12 -0.24 0.00 -0.15 0.00 0.00 54.97 53.75 2rmj s GLU 883 Cb 0.01 -2.69 0.06 0.00 -0.44 0.00 0.00 34.13 31.06 2rmj s GLU 883 CO 0.15 -0.55 0.59 0.96 0.95 0.00 0.00 175.26 177.35 2rmj s ILE 884 N 1.27 0.01 0.57 1.83 -5.25 -1.21 -4.93 121.20 113.48 2rmj s ILE 884 Ca -0.06 -0.08 -0.16 0.00 -0.99 0.00 0.00 60.65 59.36 2rmj s ILE 884 Cb -0.19 -0.87 -0.05 0.00 2.95 0.00 0.00 42.46 44.30 2rmj s ILE 884 CO -0.06 -0.04 1.05 -2.16 -1.79 0.00 0.00 174.94 171.93 2rmj s PRO 885 N -0.57 3.44 0.01 0.37 0.04 -1.26 -4.11 135.00 132.93 2rmj s PRO 885 Ca -0.07 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.24 2rmj s PRO 885 Cb -0.03 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2rmj s PRO 885 CO 0.05 -0.71 -0.25 0.54 0.04 0.00 0.00 177.00 176.68 2rmj s VAL 886 N -2.43 1.97 0.48 -0.36 0.11 -1.15 -4.63 120.40 114.40 2rmj s VAL 886 Ca 0.63 -1.18 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 2rmj s VAL 886 Cb -0.15 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 2rmj s VAL 886 CO 0.35 0.45 0.08 -0.63 -3.33 0.00 0.00 175.10 172.02 2rmj s ILE 887 N -0.68 0.74 0.39 7.04 -1.09 -0.96 -3.41 121.20 123.24 2rmj s ILE 887 Ca 0.10 -2.00 0.08 0.00 -2.23 0.00 0.00 60.65 56.60 2rmj s ILE 887 Cb -0.10 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 2rmj s ILE 887 CO 0.00 0.00 0.14 -0.54 -1.23 0.00 0.00 174.94 173.31 2rmj s LYS 888 N -3.77 2.20 0.21 2.79 -0.14 -1.26 -4.10 119.74 115.66 2rmj s LYS 888 Ca 0.12 -1.82 0.11 0.00 -1.36 0.00 0.00 55.97 53.02 2rmj s LYS 888 Cb 0.01 -1.97 -0.00 0.00 -1.68 0.00 0.00 37.83 34.18 2rmj s LYS 888 CO 0.08 -0.05 1.40 0.97 -0.76 0.00 0.00 175.35 176.99 2rmj h ILE 889 N 1.52 1.34 -0.85 2.17 2.10 -1.89 -3.13 117.51 118.76 2rmj h ILE 889 Ca -0.43 -2.76 -0.43 0.00 1.08 0.00 0.00 64.86 62.32 2rmj h ILE 889 Cb 1.25 2.58 -0.25 0.00 -1.09 0.00 0.00 36.82 39.30 2rmj h ILE 889 CO 0.70 0.73 0.54 -1.84 -1.08 0.00 0.00 178.15 177.20 2rmj n GLU 890 N -3.36 2.23 -0.05 2.19 0.28 -1.24 -4.00 120.64 116.69 2rmj n GLU 890 Ca 0.01 -2.63 -0.03 0.00 -0.16 0.00 0.00 57.16 54.34 2rmj n GLU 890 Cb 0.81 -2.04 -0.12 0.00 1.43 0.00 0.00 31.44 31.53 2rmj n GLU 890 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2rmj n SER 891 N -0.85 1.42 -3.80 -1.84 7.64 -1.18 -5.03 113.62 109.97 2rmj n SER 891 Ca 0.51 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.24 2rmj n SER 891 Cb 1.50 1.08 -0.09 0.00 -1.01 0.00 0.00 64.21 65.70 2rmj n SER 891 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2rmj s PHE 892 N -2.54 1.35 0.41 1.43 -0.12 -1.26 -4.47 117.98 112.79 2rmj s PHE 892 Ca -0.07 -1.46 0.07 0.00 -0.05 0.00 0.00 56.93 55.43 2rmj s PHE 892 Cb 0.06 -0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 41.86 2rmj s PHE 892 CO 0.61 -0.78 0.27 0.14 -0.05 0.00 0.00 175.22 175.41 2rmj s VAL 893 N -3.80 2.49 -0.28 -2.49 -7.23 0.56 -4.56 120.40 105.09 2rmj s VAL 893 Ca 0.38 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2rmj s VAL 893 Cb 0.04 -3.00 0.08 0.00 0.56 0.00 0.00 36.38 34.06 2rmj s VAL 893 CO 0.19 -0.01 -0.02 0.68 -0.31 0.00 0.00 175.10 175.63 2rmj s VAL 894 N -2.54 1.76 -0.49 1.32 -7.23 0.17 -1.12 120.40 112.27 2rmj s VAL 894 Ca 0.44 -1.61 -0.12 0.00 -1.81 0.00 0.00 61.98 58.89 2rmj s VAL 894 Cb 0.01 -2.10 0.12 0.00 0.56 0.00 0.00 36.38 34.97 2rmj s VAL 894 CO 0.25 -0.29 0.39 -0.70 -0.31 0.00 0.00 175.10 174.44 2rmj s GLU 895 N 1.24 2.68 0.35 4.82 2.12 0.54 -2.29 118.70 128.16 2rmj s GLU 895 Ca -0.00 -1.69 -0.28 0.00 0.36 0.00 0.00 54.97 53.36 2rmj s GLU 895 Cb -0.19 -4.04 -0.12 0.00 0.26 0.00 0.00 34.13 30.04 2rmj s GLU 895 CO -0.09 -1.20 1.31 -0.25 -0.54 0.00 0.00 175.26 174.49 2rmj n ASP 896 N 5.03 2.87 0.01 -1.70 10.43 -1.23 -2.34 116.55 129.62 2rmj n ASP 896 Ca -0.10 1.21 0.12 0.00 2.57 0.00 0.00 54.79 58.59 2rmj n ASP 896 Cb 0.41 -1.50 0.28 0.00 1.84 0.00 0.00 41.12 42.15 2rmj n ASP 896 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2rmj n ILE 897 N 0.34 0.03 0.71 0.53 -0.00 -1.26 0.18 119.36 119.90 2rmj n ILE 897 Ca 0.04 -0.03 0.11 0.00 -0.00 0.00 0.00 62.75 62.87 2rmj n ILE 897 Cb 0.36 0.14 -0.09 0.00 -0.00 0.00 0.00 39.64 40.05 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 -1.53 4.04 0.00 -1.39 0.00 -1.26 -4.62 120.51 115.75 2rmj n ALA 898 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2rmj n ALA 898 Cb 0.35 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.74 0.00 -1.00 0.00 -2.24 -1.22 -5.05 114.28 103.03 2rmj n THR 899 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2rmj n THR 899 Cb 0.40 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 2.59 0.68 3.37 3.38 0.00 0.49 -4.98 105.19 110.73 2rmj n GLY 900 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2rmj n GLY 900 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rmj s VAL 901 N -2.00 4.82 0.33 1.61 0.11 -1.25 -4.81 120.40 119.21 2rmj s VAL 901 Ca 0.00 -1.01 -0.23 0.00 -2.93 0.00 0.00 61.98 57.81 2rmj s VAL 901 Cb 0.00 -3.80 -0.10 0.00 -1.53 0.00 0.00 36.38 30.95 2rmj s VAL 901 CO 0.00 -0.42 0.89 0.00 -3.33 0.00 0.00 175.10 172.24 2rmj s GLN 902 N 1.57 4.40 0.11 1.54 -2.07 -1.25 -3.47 119.66 120.49 2rmj s GLN 902 Ca 0.03 1.14 -0.17 0.00 -1.82 0.00 0.00 55.36 54.55 2rmj s GLN 902 Cb -0.22 -2.65 0.04 0.00 -1.09 0.00 0.00 33.01 29.09 2rmj s GLN 902 CO 0.06 0.22 0.41 -0.08 -1.32 0.00 0.00 175.29 174.59 2rmj s THR 903 N -1.75 0.06 -0.10 3.63 -1.32 -0.97 -4.89 115.64 110.30 2rmj s THR 903 Ca 0.52 -0.53 -0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2rmj s THR 903 Cb -0.15 -1.12 0.02 0.00 -1.51 0.00 0.00 72.50 69.74 2rmj s THR 903 CO 0.20 -0.29 -0.07 -1.48 -2.21 0.00 0.00 174.62 170.77 2rmj s LEU 904 N -2.64 1.16 0.35 9.08 0.05 -1.26 0.41 118.68 125.82 2rmj s LEU 904 Ca 0.01 -0.27 -0.22 0.00 0.05 0.00 0.00 54.13 53.70 2rmj s LEU 904 Cb 0.01 -0.79 -0.10 0.00 -2.05 0.00 0.00 46.19 43.27 2rmj s LEU 904 CO -0.10 -0.11 0.88 -0.31 -0.55 0.00 0.00 176.35 176.15 2rmj s TYR 905 N 1.64 3.50 -0.02 3.48 2.02 -1.26 -5.02 117.35 121.69 2rmj s TYR 905 Ca 0.03 1.57 -0.00 0.00 -0.37 0.00 0.00 57.07 58.30 2rmj s TYR 905 Cb -0.13 -2.79 -0.00 0.00 -0.40 0.00 0.00 41.96 38.64 2rmj s TYR 905 CO -0.07 0.10 -0.00 0.77 -1.57 0.00 0.00 175.55 174.78 2rmj h SER 906 N 2.61 0.00 -2.17 2.29 0.02 -1.91 -3.28 113.55 111.10 2rmj h SER 906 Ca -0.48 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 59.97 2rmj h SER 906 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2rmj h SER 906 CO 0.64 0.08 -0.51 -0.75 -1.14 0.00 0.00 176.83 175.15 2rmj s LYS 907 N -1.09 2.97 0.56 3.45 2.47 -1.26 -4.35 119.74 122.49 2rmj s LYS 907 Ca -0.00 -1.03 0.36 0.00 -1.56 0.00 0.00 55.97 53.74 2rmj s LYS 907 Cb 0.00 -2.60 1.71 0.00 -1.46 0.00 0.00 37.83 35.48 2rmj s LYS 907 CO 0.00 0.39 2.08 -1.49 0.16 0.00 0.00 175.35 176.49 2rmj h TRP 908 N 1.44 0.00 -0.93 4.03 6.55 -1.97 -2.04 115.95 123.03 2rmj h TRP 908 Ca -0.49 0.00 0.13 0.00 0.95 0.00 0.00 58.89 59.48 2rmj h TRP 908 Cb 1.24 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 29.46 2rmj h TRP 908 CO 0.54 0.00 0.59 0.87 -1.05 0.00 0.00 178.44 179.39 2rmj h LYS 909 N 0.00 0.80 -1.65 0.49 1.57 -2.01 0.98 116.57 116.75 2rmj h LYS 909 Ca 0.00 -0.05 -0.36 0.00 -1.87 0.00 0.00 60.65 58.38 2rmj h LYS 909 Cb 0.29 -0.18 -0.14 0.00 0.08 0.00 0.00 32.23 32.27 2rmj h LYS 909 CO 0.00 0.53 0.38 -0.25 -0.57 0.00 0.00 179.45 179.54 2rmj n ASP 910 N -4.58 6.43 -4.73 0.86 9.92 -0.77 -4.95 116.55 118.72 2rmj n ASP 910 Ca 0.18 -3.07 -0.32 0.00 -0.53 0.00 0.00 54.79 51.04 2rmj n ASP 910 Cb 0.41 -1.11 0.10 0.00 -0.64 0.00 0.00 41.12 39.87 2rmj n ASP 910 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2rmj s PHE 911 N -1.69 2.23 0.00 1.24 -0.12 0.34 -4.91 117.98 115.05 2rmj s PHE 911 Ca 0.38 1.62 0.00 0.00 -0.05 0.00 0.00 56.93 58.88 2rmj s PHE 911 Cb 0.27 -3.26 0.00 0.00 -0.63 0.00 0.00 43.02 39.40 2rmj s PHE 911 CO -0.05 -2.22 0.84 1.58 -0.05 0.00 0.00 175.22 175.32 2rmj n HIS 912 N -3.19 0.00 -4.06 3.49 -0.00 -1.26 -5.05 115.22 105.15 2rmj n HIS 912 Ca 0.11 -0.36 -0.03 0.00 0.46 0.00 0.00 57.72 57.91 2rmj n HIS 912 Cb 0.52 -0.04 -0.01 0.00 -0.12 0.00 0.00 29.99 30.35 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 -0.36 0.07 -4.55 1.57 3.72 -1.26 -5.15 117.46 111.52 2rmj n PHE 913 Ca 0.00 -0.21 -0.26 0.00 -0.05 0.00 0.00 57.45 56.92 2rmj n PHE 913 Cb 0.26 -0.02 -0.08 0.00 -0.94 0.00 0.00 39.48 38.70 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 -2.15 1.96 -0.22 -1.08 -1.05 -1.26 -5.12 118.70 109.79 2rmj s GLU 914 Ca 0.01 -2.20 -0.24 0.00 -0.15 0.00 0.00 54.97 52.39 2rmj s GLU 914 Cb 0.00 -0.74 -0.01 0.00 -0.44 0.00 0.00 34.13 32.94 2rmj s GLU 914 CO 0.00 -0.45 0.78 -1.59 0.95 0.00 0.00 175.26 174.95 2rmj s LYS 915 N -3.73 4.21 -0.00 -4.83 0.00 -1.26 -4.40 119.74 109.73 2rmj s LYS 915 Ca 0.22 0.88 0.02 0.00 0.00 0.00 0.00 55.97 57.09 2rmj s LYS 915 Cb 0.03 -3.62 -0.01 0.00 0.00 0.00 0.00 37.83 34.23 2rmj s LYS 915 CO 0.13 -0.42 -0.08 0.42 0.00 0.00 0.00 175.35 175.40 2rmj s ILE 916 N 2.50 0.61 -0.04 3.79 1.01 -1.22 -4.96 121.20 122.89 2rmj s ILE 916 Ca 0.34 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 2rmj s ILE 916 Cb -0.16 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2rmj s ILE 916 CO 0.09 0.12 1.21 -2.16 0.00 0.00 0.00 174.94 174.20 2rmj s PRO 917 N -0.32 4.36 -0.42 2.79 0.04 -1.26 -4.07 135.00 136.12 2rmj s PRO 917 Ca 0.02 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2rmj s PRO 917 Cb -0.04 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 2rmj s PRO 917 CO -0.00 -0.43 1.93 0.12 0.04 0.00 0.00 177.00 178.66 2rmj s PHE 918 N 2.07 1.61 0.25 0.56 2.19 -1.26 -4.94 117.98 118.46 2rmj s PHE 918 Ca 0.57 0.78 -0.30 0.00 0.33 0.00 0.00 56.93 58.31 2rmj s PHE 918 Cb -0.26 -4.03 -0.10 0.00 -1.31 0.00 0.00 43.02 37.32 2rmj s PHE 918 CO 0.23 -2.83 1.47 -0.51 1.83 0.00 0.00 175.22 175.41 2rmj s ASP 919 N 7.62 6.62 0.25 6.13 1.11 -1.26 -4.88 116.67 132.25 2rmj s ASP 919 Ca 0.81 2.70 0.25 0.00 0.18 0.00 0.00 52.55 56.48 2rmj s ASP 919 Cb -0.20 -2.62 0.90 0.00 1.07 0.00 0.00 42.92 42.06 2rmj s ASP 919 CO 0.29 -0.73 1.75 1.55 1.18 0.00 0.00 175.17 179.21 2rmj h PRO 920 N 5.12 0.00 0.00 8.23 0.13 -1.93 -2.70 132.00 140.85 2rmj h PRO 920 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2rmj h PRO 920 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2rmj h PRO 920 CO 0.79 0.00 -0.36 0.00 -0.23 0.00 0.00 178.00 178.20 2rmj h ALA 921 N 2.37 0.97 0.01 -0.56 0.00 -1.90 -3.04 119.26 117.11 2rmj h ALA 921 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2rmj h ALA 921 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2rmj h ALA 921 CO 0.00 0.45 -1.05 0.93 0.00 0.00 0.00 179.25 179.58 2rmj h GLU 922 N 0.00 0.03 -0.80 0.00 4.39 -1.88 -3.38 114.58 112.93 2rmj h GLU 922 Ca -0.00 -0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.79 2rmj h GLU 922 Cb 0.92 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.44 2rmj h GLU 922 CO 0.05 1.02 -0.32 0.52 -1.16 0.00 0.00 179.01 179.12 2rmj h MET 923 N -0.91 -0.06 -3.96 2.33 2.86 -1.54 -3.42 114.93 110.24 2rmj h MET 923 Ca -0.28 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.11 2rmj h MET 923 Cb 1.30 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.92 2rmj h MET 923 CO -0.14 -0.04 -0.10 -1.12 1.06 0.00 0.00 176.91 176.57 2rmj s SER 924 N -5.26 0.88 0.00 1.22 0.01 -1.15 -5.01 113.70 104.39 2rmj s SER 924 Ca -0.14 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.63 2rmj s SER 924 Cb 0.20 0.71 0.00 0.00 0.21 0.00 0.00 66.02 67.14 2rmj s SER 924 CO 0.72 -1.40 0.16 1.17 0.41 0.00 0.00 173.24 174.30