#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 5.06 -0.08 -2.24 0.01 -1.26 -5.04 113.70 110.15 2rmj s SER 793 Ca 0.00 -0.66 0.13 0.00 1.31 0.00 0.00 55.95 56.73 2rmj s SER 793 Cb 0.00 0.05 0.26 0.00 0.21 0.00 0.00 66.02 66.54 2rmj s SER 793 CO 0.00 -1.34 1.13 0.00 0.41 0.00 0.00 173.24 173.44 2rmj n GLN 794 N -2.29 0.73 -3.53 12.44 3.00 -1.26 -5.07 117.38 121.41 2rmj n GLN 794 Ca 0.14 -2.17 -0.26 0.00 -0.01 0.00 0.00 57.00 54.71 2rmj n GLN 794 Cb 0.61 -0.95 -0.02 0.00 0.00 0.00 0.00 30.24 29.87 2rmj n GLN 794 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2rmj s GLU 795 N -1.58 3.52 0.12 -1.09 -1.05 -1.26 -5.12 118.70 112.24 2rmj s GLU 795 Ca 0.24 -0.32 0.04 0.00 -0.15 0.00 0.00 54.97 54.79 2rmj s GLU 795 Cb 0.24 -2.74 -0.04 0.00 -0.44 0.00 0.00 34.13 31.15 2rmj s GLU 795 CO -0.04 0.27 -0.10 0.15 0.95 0.00 0.00 175.26 176.49 2rmj s LYS 796 N -3.83 0.94 1.12 -4.83 -0.14 -1.26 -5.16 119.74 106.59 2rmj s LYS 796 Ca 0.40 -1.31 -0.19 0.00 -1.36 0.00 0.00 55.97 53.51 2rmj s LYS 796 Cb -0.10 -0.55 0.27 0.00 -1.68 0.00 0.00 37.83 35.77 2rmj s LYS 796 CO 0.32 0.07 1.24 -1.25 -0.76 0.00 0.00 175.35 174.97 2rmj s PRO 797 N -3.31 -0.61 0.24 -1.68 0.04 -1.26 -5.09 135.00 123.33 2rmj s PRO 797 Ca 0.11 -0.37 0.12 0.00 0.04 0.00 0.00 61.00 60.90 2rmj s PRO 797 Cb 0.00 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 2rmj s PRO 797 CO -0.00 -3.25 -0.21 0.15 0.04 0.00 0.00 177.00 173.72 2rmj s LYS 798 N -5.74 1.63 0.89 4.56 3.01 -1.26 -5.15 119.74 117.68 2rmj s LYS 798 Ca 0.74 -1.64 -0.15 0.00 -1.01 0.00 0.00 55.97 53.92 2rmj s LYS 798 Cb -0.05 -1.82 0.21 0.00 -1.01 0.00 0.00 37.83 35.16 2rmj s LYS 798 CO 0.55 0.37 0.98 -0.35 0.51 0.00 0.00 175.35 177.40 2rmj n PRO 799 N -0.20 -1.88 -5.00 -1.68 -0.04 -1.26 -5.07 135.00 119.87 2rmj n PRO 799 Ca -0.09 -1.54 -0.32 0.00 -0.04 0.00 0.00 63.50 61.51 2rmj n PRO 799 Cb 0.58 -1.21 -0.14 0.00 -0.04 0.00 0.00 33.50 32.68 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 -2.98 2.73 0.00 0.52 0.11 -1.26 -5.02 120.40 114.50 2rmj s VAL 800 Ca 0.59 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2rmj s VAL 800 Cb -0.04 -2.06 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2rmj s VAL 800 CO 0.43 0.57 0.14 -0.81 -3.33 0.00 0.00 175.10 172.11 2rmj n PRO 801 N 2.70 0.00 -3.60 1.54 -0.04 -1.26 -5.00 135.00 129.34 2rmj n PRO 801 Ca -0.17 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 2rmj n PRO 801 Cb 0.52 -0.69 -0.02 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.69 2.63 -4.93 3.54 5.68 -1.26 -5.14 116.55 116.38 2rmj n ASP 802 Ca 0.00 -2.59 -0.26 0.00 -0.50 0.00 0.00 54.79 51.44 2rmj n ASP 802 Cb 0.00 0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 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 -3.68 3.51 -0.01 0.11 -2.85 -1.26 -5.08 119.74 110.47 2rmj s LYS 803 Ca 0.17 -0.39 -0.11 0.00 -1.00 0.00 0.00 55.97 54.64 2rmj s LYS 803 Cb -0.01 -2.83 0.03 0.00 -2.06 0.00 0.00 37.83 32.97 2rmj s LYS 803 CO 0.11 0.38 0.48 -0.85 0.10 0.00 0.00 175.35 175.56 2rmj n GLU 804 N -0.86 0.06 -0.86 1.78 0.28 -1.26 -5.16 120.64 114.61 2rmj n GLU 804 Ca -0.05 -0.27 -0.31 0.00 -0.16 0.00 0.00 57.16 56.37 2rmj n GLU 804 Cb 0.54 0.45 0.15 0.00 1.43 0.00 0.00 31.44 34.01 2rmj n GLU 804 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2rmj s ASN 805 N -2.06 3.32 0.03 -1.84 3.84 -1.26 -4.98 114.94 111.98 2rmj s ASN 805 Ca 0.11 2.14 0.02 0.00 0.21 0.00 0.00 52.86 55.34 2rmj s ASN 805 Cb -0.00 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 38.12 2rmj s ASN 805 CO -0.00 -2.84 -0.07 -0.75 -2.79 0.00 0.00 177.10 170.65 2rmj s LYS 806 N -4.63 0.48 0.09 0.43 2.20 -1.26 -4.47 119.74 112.58 2rmj s LYS 806 Ca 0.66 -0.58 -0.05 0.00 -0.36 0.00 0.00 55.97 55.64 2rmj s LYS 806 Cb -0.22 -0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 35.74 2rmj s LYS 806 CO 0.56 0.06 0.32 0.21 -0.36 0.00 0.00 175.35 176.15 2rmj s LYS 807 N -1.15 3.59 0.08 4.03 2.20 -1.13 -0.94 119.74 126.41 2rmj s LYS 807 Ca -0.07 -0.14 0.10 0.00 -0.36 0.00 0.00 55.97 55.50 2rmj s LYS 807 Cb -0.08 -2.95 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2rmj s LYS 807 CO 0.00 0.54 -0.26 -0.51 -0.36 0.00 0.00 175.35 174.76 2rmj s LEU 808 N -2.38 2.24 0.25 5.43 1.02 0.10 0.93 118.68 126.27 2rmj s LEU 808 Ca 0.36 -0.66 0.06 0.00 0.02 0.00 0.00 54.13 53.91 2rmj s LEU 808 Cb -0.13 -1.21 -0.05 0.00 0.02 0.00 0.00 46.19 44.82 2rmj s LEU 808 CO 0.23 0.21 -0.05 -0.76 0.02 0.00 0.00 176.35 176.00 2rmj s LEU 809 N -1.61 2.40 -0.45 1.79 1.02 -0.23 0.09 118.68 121.68 2rmj s LEU 809 Ca 0.12 -1.18 -0.13 0.00 0.02 0.00 0.00 54.13 52.96 2rmj s LEU 809 Cb -0.10 -0.51 0.07 0.00 0.02 0.00 0.00 46.19 45.67 2rmj s LEU 809 CO 0.04 -0.39 0.34 0.00 0.02 0.00 0.00 176.35 176.36 2rmj h ARG 811 N 8.63 0.00 0.00 0.00 2.43 -1.88 1.51 114.38 125.06 2rmj h ARG 811 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 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 0.82 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.91 2rmj n LYS 812 N -3.72 0.00 -0.26 0.20 4.76 -1.26 -3.41 118.16 114.47 2rmj n LYS 812 Ca 0.38 0.55 0.09 0.00 -2.87 0.00 0.00 58.31 56.46 2rmj n LYS 812 Cb 1.88 -1.12 0.19 0.00 -1.84 0.00 0.00 35.03 34.14 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 -1.10 -1.39 -4.11 0.00 4.76 0.51 -4.96 118.16 111.86 2rmj n LYS 814 Ca 0.19 0.91 -0.14 0.00 -2.87 0.00 0.00 58.31 56.40 2rmj n LYS 814 Cb 0.75 -3.49 -0.11 0.00 -1.84 0.00 0.00 35.03 30.34 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 -3.06 0.81 0.10 7.82 0.00 -1.18 -4.79 121.76 121.46 2rmj s ALA 815 Ca 0.07 -0.96 -0.34 0.00 0.00 0.00 0.00 51.96 50.73 2rmj s ALA 815 Cb -0.03 0.04 -0.19 0.00 0.00 0.00 0.00 23.12 22.95 2rmj s ALA 815 CO 0.85 -0.03 0.81 -0.11 0.00 0.00 0.00 175.76 177.28 2rmj n LEU 816 N 1.04 -0.57 0.00 0.00 -0.00 -1.26 0.94 117.00 117.14 2rmj n LEU 816 Ca -0.20 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.96 2rmj n LEU 816 Cb 0.56 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 2rmj n LEU 816 CO 0.23 -2.41 -0.46 0.00 -0.00 0.00 0.00 177.39 174.75 2rmj n ALA 817 N 0.79 2.95 -3.00 1.96 0.00 0.11 -4.59 120.51 118.74 2rmj n ALA 817 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2rmj n ALA 817 Cb 0.16 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.61 1.68 -0.44 0.00 1.51 -1.26 0.03 117.35 115.25 2rmj s TYR 819 Ca 0.00 -0.47 0.26 0.00 -1.01 0.00 0.00 57.07 55.85 2rmj s TYR 819 Cb 0.00 -0.88 0.74 0.00 -0.11 0.00 0.00 41.96 41.71 2rmj s TYR 819 CO 0.00 0.23 1.74 0.00 -1.11 0.00 0.00 175.55 176.40 2rmj h THR 820 N 3.69 0.00 0.00 -0.71 1.03 -1.38 -2.68 112.91 112.86 2rmj h THR 820 Ca -0.43 -0.66 0.00 0.00 -0.01 0.00 0.00 66.41 65.31 2rmj h THR 820 Cb 1.19 1.63 0.00 0.00 -1.07 0.00 0.00 68.15 69.90 2rmj h THR 820 CO 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.97 2rmj n ALA 821 N -1.96 2.38 -0.43 0.00 0.00 -1.26 -2.33 120.51 116.91 2rmj n ALA 821 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2rmj n ALA 821 Cb 0.42 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.16 1.06 -4.72 0.00 9.92 -1.03 -5.03 116.55 115.59 2rmj n ASP 822 Ca 0.16 -1.50 -0.38 0.00 -0.53 0.00 0.00 54.79 52.54 2rmj n ASP 822 Cb 0.16 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 2rmj n ASP 822 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2rmj s VAL 823 N -0.50 5.19 -0.13 2.53 0.11 -0.98 0.22 120.40 126.85 2rmj s VAL 823 Ca 0.00 0.95 -0.05 0.00 -2.93 0.00 0.00 61.98 59.95 2rmj s VAL 823 Cb 0.00 -3.81 0.06 0.00 -1.53 0.00 0.00 36.38 31.10 2rmj s VAL 823 CO 0.00 0.33 0.26 -0.13 -3.33 0.00 0.00 175.10 172.23 2rmj s ARG 824 N 0.60 0.14 0.49 1.54 3.00 0.89 -4.97 118.95 120.64 2rmj s ARG 824 Ca 0.26 0.73 -0.12 0.00 0.00 0.00 0.00 55.73 56.60 2rmj s ARG 824 Cb -0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 34.95 34.69 2rmj s ARG 824 CO 0.10 -0.28 0.90 0.54 0.00 0.00 0.00 175.30 176.56 2rmj s VAL 825 N 2.38 4.70 -1.04 3.52 0.11 -1.26 -2.11 120.40 126.69 2rmj s VAL 825 Ca 0.01 0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 59.82 2rmj s VAL 825 Cb -0.12 -3.77 0.26 0.00 -1.53 0.00 0.00 36.38 31.22 2rmj s VAL 825 CO -0.08 -0.74 1.01 -0.63 -3.33 0.00 0.00 175.10 171.33 2rmj s ILE 826 N -2.66 5.50 -1.18 7.04 1.01 -0.40 -2.87 121.20 127.64 2rmj s ILE 826 Ca 0.54 -3.56 -0.02 0.00 0.00 0.00 0.00 60.65 57.62 2rmj s ILE 826 Cb -0.10 -4.33 0.00 0.00 0.01 0.00 0.00 42.46 38.04 2rmj s ILE 826 CO 0.37 -1.16 1.00 -0.62 0.00 0.00 0.00 174.94 174.53 2rmj n GLU 827 N 2.59 -6.63 -3.15 2.79 1.02 -1.26 -1.77 120.64 114.24 2rmj n GLU 827 Ca 0.23 0.81 -0.21 0.00 -0.02 0.00 0.00 57.16 57.97 2rmj n GLU 827 Cb 0.39 -5.73 -0.00 0.00 -0.02 0.00 0.00 31.44 26.08 2rmj n GLU 827 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2rmj n GLU 828 N -4.17 -3.29 -0.12 3.49 1.02 -1.26 -4.80 120.64 111.50 2rmj n GLU 828 Ca -0.22 0.52 -0.20 0.00 -0.02 0.00 0.00 57.16 57.24 2rmj n GLU 828 Cb 0.64 -5.22 -0.10 0.00 -0.02 0.00 0.00 31.44 26.74 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 -0.63 -0.05 0.00 3.76 -1.26 -4.95 115.29 109.69 2rmj s HIS 830 Ca -0.33 1.46 -0.23 0.00 -0.15 0.00 0.00 55.06 55.81 2rmj s HIS 830 Cb 0.10 0.37 -0.04 0.00 1.11 0.00 0.00 32.58 34.12 2rmj s HIS 830 CO 0.51 -0.31 0.69 0.71 -0.85 0.00 0.00 174.74 175.49 2rmj s TYR 831 N 0.57 3.61 0.31 1.40 2.02 -1.21 -1.28 117.35 122.77 2rmj s TYR 831 Ca -0.01 1.26 0.03 0.00 -0.37 0.00 0.00 57.07 57.97 2rmj s TYR 831 Cb -0.05 -2.77 -0.05 0.00 -0.40 0.00 0.00 41.96 38.69 2rmj s TYR 831 CO -0.07 0.15 0.09 -0.08 -1.57 0.00 0.00 175.55 174.07 2rmj s THR 832 N 0.57 0.79 0.17 -0.71 -1.32 -0.90 -2.26 115.64 111.98 2rmj s THR 832 Ca 0.36 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.94 2rmj s THR 832 Cb -0.18 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.11 2rmj s THR 832 CO 0.18 0.00 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.70 2rmj s VAL 833 N -3.50 1.97 0.36 5.08 1.01 -1.26 -0.08 120.40 123.99 2rmj s VAL 833 Ca 0.35 -1.91 0.09 0.00 0.00 0.00 0.00 61.98 60.52 2rmj s VAL 833 Cb 0.07 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2rmj s VAL 833 CO 0.15 -0.22 -0.04 -0.76 0.00 0.00 0.00 175.10 174.23 2rmj s LEU 834 N -2.57 2.83 0.00 3.92 1.43 0.13 -4.95 118.68 119.47 2rmj s LEU 834 Ca 0.16 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2rmj s LEU 834 Cb -0.07 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.08 2rmj s LEU 834 CO 0.07 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.99 2rmj n GLY 835 N -0.88 2.12 0.10 -3.19 0.00 -1.26 -4.78 105.19 97.30 2rmj n GLY 835 Ca -0.05 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 44.73 2rmj n GLY 835 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rmj n ASP 836 N 0.00 0.62 -0.17 1.61 5.75 -1.26 -3.00 116.55 120.09 2rmj n ASP 836 Ca 0.00 0.60 -0.06 0.00 -0.01 0.00 0.00 54.79 55.32 2rmj n ASP 836 Cb 0.00 -0.75 0.03 0.00 -1.03 0.00 0.00 41.12 39.36 2rmj n ASP 836 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rmj h ALA 837 N 2.45 0.65 0.00 2.12 0.00 -1.99 -1.53 119.26 120.95 2rmj h ALA 837 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rmj h ALA 837 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2rmj h ALA 837 CO 0.00 0.06 -0.07 0.74 0.00 0.00 0.00 179.25 179.98 2rmj h PHE 838 N 0.66 0.00 -0.05 0.00 0.04 -1.84 -3.18 116.94 112.57 2rmj h PHE 838 Ca 0.19 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 2rmj h PHE 838 Cb -0.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 2rmj h PHE 838 CO -0.05 0.00 -0.00 0.87 -0.60 0.00 0.00 178.31 178.53 2rmj h LYS 839 N 0.00 0.07 0.00 1.51 1.57 -1.24 0.45 116.57 118.93 2rmj h LYS 839 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2rmj h LYS 839 Cb 0.91 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2rmj h LYS 839 CO 0.00 0.08 -0.77 -0.85 -0.57 0.00 0.00 179.45 177.34 2rmj n GLU 840 N -4.49 0.02 0.21 3.15 0.28 -1.12 -3.82 120.64 114.87 2rmj n GLU 840 Ca -0.02 -0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.07 2rmj n GLU 840 Cb 0.12 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 31.80 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 -3.23 -0.30 -3.69 0.00 -1.74 -0.98 -1.66 117.46 105.85 2rmj n PHE 842 Ca 0.02 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.79 2rmj n PHE 842 Cb 0.51 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.45 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 -0.77 0.07 -0.04 1.97 -7.23 0.22 -4.38 120.40 110.25 2rmj s VAL 843 Ca 0.00 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 2rmj s VAL 843 Cb 0.00 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2rmj s VAL 843 CO 0.00 -0.34 -0.03 -0.55 -0.31 0.00 0.00 175.10 173.87 2rmj s SER 844 N -2.41 0.79 0.08 4.85 0.15 -1.26 -0.43 113.70 115.48 2rmj s SER 844 Ca -0.01 -0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.60 2rmj s SER 844 Cb 0.01 -0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 2rmj s SER 844 CO -0.07 -0.06 -0.10 -0.13 1.20 0.00 0.00 173.24 174.08 2rmj s ARG 845 N 0.92 2.21 0.00 5.44 1.81 0.25 -4.99 118.95 124.59 2rmj s ARG 845 Ca -0.11 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 2rmj s ARG 845 Cb -0.14 -2.34 0.00 0.00 -0.45 0.00 0.00 34.95 32.02 2rmj s ARG 845 CO -0.00 0.53 0.00 -0.35 -0.68 0.00 0.00 175.30 174.80 2rmj n PRO 846 N 0.91 -0.03 -3.19 3.54 -0.04 -1.26 -2.50 135.00 132.42 2rmj n PRO 846 Ca -0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 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 1.58 -0.04 0.00 0.00 175.50 177.04 2rmj n HIS 847 N -1.62 -0.05 -2.50 0.54 -0.00 -1.26 -4.66 115.22 105.66 2rmj n HIS 847 Ca 0.00 0.02 -0.40 0.00 -0.00 0.00 0.00 57.72 57.34 2rmj n HIS 847 Cb 0.00 -1.02 -0.04 0.00 -0.00 0.00 0.00 29.99 28.93 2rmj n HIS 847 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2rmj s PRO 848 N -1.02 4.64 0.72 1.57 0.04 -1.26 -4.82 135.00 134.86 2rmj s PRO 848 Ca 0.01 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.66 2rmj s PRO 848 Cb -0.00 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 31.35 2rmj s PRO 848 CO 0.01 0.20 1.15 0.15 0.04 0.00 0.00 177.00 178.55 2rmj s LYS 849 N -1.13 2.35 -0.12 4.56 3.01 -1.26 -4.94 119.74 122.20 2rmj s LYS 849 Ca 0.46 1.53 -0.29 0.00 -1.01 0.00 0.00 55.97 56.65 2rmj s LYS 849 Cb -0.31 -1.88 -0.02 0.00 -1.01 0.00 0.00 37.83 34.61 2rmj s LYS 849 CO 0.39 -1.63 1.26 -1.25 0.51 0.00 0.00 175.35 174.63 2rmj s PRO 850 N -4.13 4.27 0.30 -1.68 0.04 -1.26 -5.01 135.00 127.54 2rmj s PRO 850 Ca 0.69 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.45 2rmj s PRO 850 Cb -0.24 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2rmj s PRO 850 CO 0.45 -0.63 0.12 0.15 0.04 0.00 0.00 177.00 177.14 2rmj s LYS 851 N 3.09 1.57 0.50 4.56 -0.14 -1.26 -5.15 119.74 122.91 2rmj s LYS 851 Ca 0.56 -1.89 -0.19 0.00 -1.36 0.00 0.00 55.97 53.09 2rmj s LYS 851 Cb -0.23 -0.30 -0.08 0.00 -1.68 0.00 0.00 37.83 35.54 2rmj s LYS 851 CO 0.17 -0.37 1.02 -1.14 -0.76 0.00 0.00 175.35 174.27 2rmj s GLN 852 N -3.89 3.82 0.80 1.68 0.74 -1.26 -5.01 119.66 116.54 2rmj s GLN 852 Ca 0.35 1.22 -0.14 0.00 0.05 0.00 0.00 55.36 56.85 2rmj s GLN 852 Cb 0.06 -2.11 0.07 0.00 1.10 0.00 0.00 33.01 32.14 2rmj s GLN 852 CO 0.16 -0.40 1.16 0.34 -0.55 0.00 0.00 175.29 176.00 2rmj n PHE 853 N -1.19 1.18 -3.82 1.67 7.35 -1.26 -5.03 117.46 116.35 2rmj n PHE 853 Ca 0.08 0.40 -0.08 0.00 -0.76 0.00 0.00 57.45 57.10 2rmj n PHE 853 Cb 0.53 -2.10 0.01 0.00 0.35 0.00 0.00 39.48 38.27 2rmj n PHE 853 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2rmj s SER 854 N -2.04 -0.07 0.19 -2.13 0.15 -1.26 -5.04 113.70 103.49 2rmj s SER 854 Ca 0.73 -0.97 -0.20 0.00 0.70 0.00 0.00 55.95 56.21 2rmj s SER 854 Cb -0.30 0.80 0.14 0.00 -1.71 0.00 0.00 66.02 64.95 2rmj s SER 854 CO 0.51 -1.56 1.59 0.28 1.20 0.00 0.00 173.24 175.26 2rmj h SER 855 N 2.00 -1.10 -1.13 5.45 0.02 -2.05 -3.42 113.55 113.32 2rmj h SER 855 Ca -0.28 0.22 -0.51 0.00 -0.84 0.00 0.00 61.79 60.38 2rmj h SER 855 Cb 1.25 0.56 -0.02 0.00 0.14 0.00 0.00 62.40 64.32 2rmj h SER 855 CO 0.36 -0.30 -0.30 -0.36 -1.14 0.00 0.00 176.83 175.09 2rmj s PHE 856 N -6.02 2.20 -0.01 3.45 0.40 -1.26 -5.14 117.98 111.60 2rmj s PHE 856 Ca -0.14 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.62 2rmj s PHE 856 Cb 0.16 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 2rmj s PHE 856 CO 0.70 -0.41 -0.19 -1.21 0.70 0.00 0.00 175.22 174.81 2rmj s GLU 857 N -4.28 1.48 -0.01 0.44 2.02 -1.26 -5.03 118.70 112.06 2rmj s GLU 857 Ca 0.47 -0.69 -0.10 0.00 0.02 0.00 0.00 54.97 54.67 2rmj s GLU 857 Cb -0.04 -1.45 -0.05 0.00 0.10 0.00 0.00 34.13 32.69 2rmj s GLU 857 CO 0.28 0.39 0.30 0.15 0.02 0.00 0.00 175.26 176.41 2rmj s LYS 858 N -0.51 3.68 0.00 1.61 1.02 -1.26 -3.42 119.74 120.86 2rmj s LYS 858 Ca 0.07 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.17 2rmj s LYS 858 Cb -0.07 -3.14 -0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2rmj s LYS 858 CO -0.00 0.68 0.22 -2.13 -0.92 0.00 0.00 175.35 173.19 2rmj n ARG 859 N 1.51 3.85 -3.64 1.68 3.00 -0.77 -4.93 116.66 117.37 2rmj n ARG 859 Ca -0.14 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.85 57.45 2rmj n ARG 859 Cb 0.53 -0.72 -0.07 0.00 0.00 0.00 0.00 32.46 32.21 2rmj n ARG 859 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2rmj s ALA 860 N -0.69 -2.15 0.19 5.13 0.00 -1.13 -4.35 121.76 118.76 2rmj s ALA 860 Ca 0.01 1.94 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 2rmj s ALA 860 Cb 0.01 -1.62 -0.08 0.00 0.00 0.00 0.00 23.12 21.43 2rmj s ALA 860 CO 0.02 -0.25 0.68 0.15 0.00 0.00 0.00 175.76 176.37 2rmj s LYS 861 N 0.56 4.21 0.12 0.00 3.01 -1.04 0.22 119.74 126.82 2rmj s LYS 861 Ca -0.00 0.80 0.08 0.00 -1.01 0.00 0.00 55.97 55.83 2rmj s LYS 861 Cb -0.04 -2.93 -0.04 0.00 -1.01 0.00 0.00 37.83 33.80 2rmj s LYS 861 CO -0.11 0.44 -0.11 0.96 0.51 0.00 0.00 175.35 177.04 2rmj s ILE 862 N -1.47 3.26 0.32 2.17 -5.25 -1.25 -0.58 121.20 118.39 2rmj s ILE 862 Ca 0.41 -1.39 -0.00 0.00 -0.99 0.00 0.00 60.65 58.67 2rmj s ILE 862 Cb -0.17 -2.54 -0.01 0.00 2.95 0.00 0.00 42.46 42.69 2rmj s ILE 862 CO 0.21 0.06 0.38 -0.36 -1.79 0.00 0.00 174.94 173.43 2rmj s PHE 863 N -1.32 1.22 0.18 1.37 0.08 0.43 -3.99 117.98 115.97 2rmj s PHE 863 Ca 0.22 -1.37 -0.30 0.00 0.12 0.00 0.00 56.93 55.60 2rmj s PHE 863 Cb -0.10 -0.30 -0.08 0.00 -0.57 0.00 0.00 43.02 41.97 2rmj s PHE 863 CO 0.14 -0.99 1.10 0.00 -0.10 0.00 0.00 175.22 175.36 2rmj n ALA 865 N 2.30 2.24 -0.62 0.00 0.00 -0.66 -4.39 120.51 119.38 2rmj n ALA 865 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2rmj n ALA 865 Cb 0.46 -1.47 0.12 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.44 0.32 0.00 5.12 -1.26 -4.74 116.66 112.38 2rmj n ARG 866 Ca 0.05 -0.58 0.20 0.00 -1.93 0.00 0.00 57.85 55.59 2rmj n ARG 866 Cb 0.42 -1.06 1.10 0.00 -1.16 0.00 0.00 32.46 31.76 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 -5.60 5.56 1.08 -2.00 -3.39 115.11 110.75 2rmj h GLN 867 Ca -0.16 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.43 2rmj h GLN 867 Cb 0.53 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.88 2rmj h GLN 867 CO 0.09 0.00 -0.37 -0.80 -0.95 0.00 0.00 178.83 176.81 2rmj s ASN 868 N -5.24 6.46 -0.08 1.46 -0.87 -1.26 -4.95 114.94 110.46 2rmj s ASN 868 Ca -0.05 0.55 0.13 0.00 -1.57 0.00 0.00 52.86 51.92 2rmj s ASN 868 Cb 0.13 -2.15 -0.18 0.00 -0.02 0.00 0.00 41.25 39.02 2rmj s ASN 868 CO 0.42 0.24 0.16 0.00 -2.57 0.00 0.00 177.10 175.35 2rmj n SER 870 N -2.27 0.65 -4.61 0.00 3.41 -1.26 -4.49 113.62 105.05 2rmj n SER 870 Ca -0.13 0.71 -0.43 0.00 -0.26 0.00 0.00 58.87 58.76 2rmj n SER 870 Cb 0.68 -0.83 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 2rmj n SER 870 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2rmj s HIS 871 N -3.42 2.16 -0.18 7.33 3.76 -1.26 -4.98 115.29 118.71 2rmj s HIS 871 Ca 0.02 0.63 -0.07 0.00 -0.15 0.00 0.00 55.06 55.49 2rmj s HIS 871 Cb 0.08 -4.10 -0.04 0.00 1.11 0.00 0.00 32.58 29.63 2rmj s HIS 871 CO 0.32 -2.56 0.06 0.16 -0.85 0.00 0.00 174.74 171.86 2rmj s ASP 872 N 4.50 5.60 -0.11 1.40 -4.77 -1.26 -0.09 116.67 121.95 2rmj s ASP 872 Ca 0.69 0.08 -0.11 0.00 -3.30 0.00 0.00 52.55 49.92 2rmj s ASP 872 Cb -0.20 -1.95 -0.04 0.00 -1.09 0.00 0.00 42.92 39.64 2rmj s ASP 872 CO 0.31 0.18 -0.21 0.79 0.70 0.00 0.00 175.17 176.94 2rmj n TRP 873 N 3.47 0.00 0.00 2.11 7.02 -1.26 -4.94 117.44 123.84 2rmj n TRP 873 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 2rmj n TRP 873 Cb 0.52 -0.31 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 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 1.62 4.55 3.60 6.99 0.00 -1.26 -4.92 105.19 115.78 2rmj n GLY 874 Ca -0.09 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 3.22 0.00 -0.45 -0.61 -5.25 -1.25 -3.97 121.20 112.88 2rmj s ILE 875 Ca 0.00 0.00 -0.28 0.00 -0.99 0.00 0.00 60.65 59.38 2rmj s ILE 875 Cb 0.00 -1.00 0.03 0.00 2.95 0.00 0.00 42.46 44.44 2rmj s ILE 875 CO 0.00 0.00 1.10 -2.28 -1.79 0.00 0.00 174.94 171.97 2rmj s HIS 876 N -0.21 2.88 0.28 1.37 2.46 0.13 -1.66 115.29 120.54 2rmj s HIS 876 Ca -0.01 0.73 0.03 0.00 0.47 0.00 0.00 55.06 56.28 2rmj s HIS 876 Cb -0.03 -4.27 0.03 0.00 -0.13 0.00 0.00 32.58 28.18 2rmj s HIS 876 CO 0.00 -1.18 0.23 1.33 -2.47 0.00 0.00 174.74 172.66 2rmj n VAL 877 N 6.65 0.00 -3.93 0.89 0.24 -0.89 -1.84 118.33 119.44 2rmj n VAL 877 Ca 0.11 -1.10 -0.13 0.00 -2.04 0.00 0.00 64.34 61.19 2rmj n VAL 877 Cb 0.49 -0.32 -0.14 0.00 -1.47 0.00 0.00 33.84 32.40 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 -3.17 0.09 0.17 7.34 2.47 -1.22 -2.63 119.74 122.78 2rmj s LYS 878 Ca 0.18 -0.04 -0.11 0.00 -1.56 0.00 0.00 55.97 54.44 2rmj s LYS 878 Cb -0.01 -0.09 -0.00 0.00 -1.46 0.00 0.00 37.83 36.26 2rmj s LYS 878 CO 0.11 0.02 0.33 -0.47 0.16 0.00 0.00 175.35 175.50 2rmj s TYR 879 N 0.00 0.27 0.06 4.03 5.04 -1.11 -4.69 117.35 120.95 2rmj s TYR 879 Ca 0.00 -0.63 -0.12 0.00 -2.44 0.00 0.00 57.07 53.88 2rmj s TYR 879 Cb -0.01 0.04 -0.03 0.00 0.35 0.00 0.00 41.96 42.32 2rmj s TYR 879 CO -0.00 -0.75 1.06 1.63 -1.34 0.00 0.00 175.55 176.14 2rmj n LYS 880 N -0.24 -0.16 0.00 4.97 4.76 -1.26 -2.46 118.16 123.77 2rmj n LYS 880 Ca -0.08 1.04 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 2rmj n LYS 880 Cb 0.63 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2rmj n LYS 880 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2rmj n THR 881 N -3.82 0.00 -4.01 -0.18 5.66 -1.26 -4.91 114.28 105.76 2rmj n THR 881 Ca 0.01 0.79 -0.11 0.00 -3.05 0.00 0.00 64.05 61.68 2rmj n THR 881 Cb 0.10 -1.33 -0.04 0.00 -1.55 0.00 0.00 70.33 67.51 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 -0.57 0.59 -0.63 1.09 0.08 -1.03 -5.11 117.98 112.40 2rmj s PHE 882 Ca 0.00 -0.95 -0.20 0.00 0.12 0.00 0.00 56.93 55.91 2rmj s PHE 882 Cb 0.00 0.17 0.10 0.00 -0.57 0.00 0.00 43.02 42.72 2rmj s PHE 882 CO 0.00 -1.12 0.79 -1.83 -0.10 0.00 0.00 175.22 172.97 2rmj s GLU 883 N -3.45 3.10 0.16 0.44 -1.05 -1.26 -2.75 118.70 113.89 2rmj s GLU 883 Ca 0.25 -1.24 0.03 0.00 -0.15 0.00 0.00 54.97 53.85 2rmj s GLU 883 Cb -0.01 -4.29 -0.05 0.00 -0.44 0.00 0.00 34.13 29.34 2rmj s GLU 883 CO 0.13 -1.62 -0.04 0.96 0.95 0.00 0.00 175.26 175.64 2rmj s ILE 884 N 2.99 0.89 -0.01 1.83 -5.25 -1.08 -4.91 121.20 115.67 2rmj s ILE 884 Ca 0.15 -2.01 -0.30 0.00 -0.99 0.00 0.00 60.65 57.50 2rmj s ILE 884 Cb -0.21 -2.01 -0.04 0.00 2.95 0.00 0.00 42.46 43.15 2rmj s ILE 884 CO 0.06 -0.60 1.20 -2.16 -1.79 0.00 0.00 174.94 171.65 2rmj s PRO 885 N -3.84 4.39 -0.22 0.37 0.04 -1.26 -2.10 135.00 132.38 2rmj s PRO 885 Ca 0.21 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 2rmj s PRO 885 Cb 0.05 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2rmj s PRO 885 CO 0.02 -0.36 0.38 0.08 0.04 0.00 0.00 177.00 177.16 2rmj s VAL 886 N 1.72 5.20 0.31 -0.36 1.01 -0.66 -4.74 120.40 122.88 2rmj s VAL 886 Ca 0.57 0.66 0.10 0.00 0.00 0.00 0.00 61.98 63.31 2rmj s VAL 886 Cb -0.27 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2rmj s VAL 886 CO 0.25 0.24 -0.04 -0.63 0.00 0.00 0.00 175.10 174.92 2rmj s ILE 887 N 1.43 2.82 0.54 2.22 -1.09 -0.96 -3.94 121.20 122.22 2rmj s ILE 887 Ca 0.18 -2.06 0.04 0.00 -2.23 0.00 0.00 60.65 56.58 2rmj s ILE 887 Cb -0.15 -2.70 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 2rmj s ILE 887 CO 0.08 -0.29 0.29 -1.59 -1.23 0.00 0.00 174.94 172.20 2rmj s LYS 888 N -3.66 2.24 0.12 2.79 -2.85 -1.26 -3.30 119.74 113.82 2rmj s LYS 888 Ca 0.33 -2.15 -0.00 0.00 -1.00 0.00 0.00 55.97 53.14 2rmj s LYS 888 Cb -0.03 -1.93 -0.15 0.00 -2.06 0.00 0.00 37.83 33.66 2rmj s LYS 888 CO 0.18 -0.57 1.26 0.97 0.10 0.00 0.00 175.35 177.30 2rmj h ILE 889 N 0.89 1.52 -0.72 3.79 6.09 -1.93 -3.16 117.51 124.00 2rmj h ILE 889 Ca -0.39 -2.89 -0.38 0.00 -1.37 0.00 0.00 64.86 59.84 2rmj h ILE 889 Cb 1.31 2.70 -0.22 0.00 0.47 0.00 0.00 36.82 41.08 2rmj h ILE 889 CO 0.62 0.84 0.48 -1.84 -3.07 0.00 0.00 178.15 175.18 2rmj n GLU 890 N -3.58 1.91 -0.10 2.19 0.28 -1.26 -3.96 120.64 116.12 2rmj n GLU 890 Ca -0.05 -2.17 -0.12 0.00 -0.16 0.00 0.00 57.16 54.66 2rmj n GLU 890 Cb 0.91 -1.85 -0.12 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.67 1.54 -2.86 -1.84 2.88 -1.19 -5.05 113.62 106.43 2rmj n SER 891 Ca 0.43 -0.06 -0.16 0.00 -1.33 0.00 0.00 58.87 57.76 2rmj n SER 891 Cb 1.32 0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 65.04 2rmj n SER 891 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2rmj n PHE 892 N -2.87 -0.35 -4.44 0.66 1.16 -1.25 -4.49 117.46 105.87 2rmj n PHE 892 Ca -0.33 -2.04 -0.25 0.00 -1.87 0.00 0.00 57.45 52.97 2rmj n PHE 892 Cb 0.98 0.14 -0.10 0.00 -1.61 0.00 0.00 39.48 38.90 2rmj n PHE 892 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 2rmj s VAL 893 N -2.90 2.46 -0.25 1.97 -7.23 0.56 -4.65 120.40 110.36 2rmj s VAL 893 Ca 0.25 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2rmj s VAL 893 Cb 0.01 -2.69 0.06 0.00 0.56 0.00 0.00 36.38 34.33 2rmj s VAL 893 CO 0.17 -0.22 -0.07 0.68 -0.31 0.00 0.00 175.10 175.35 2rmj s VAL 894 N -2.55 1.81 -0.46 1.32 -7.23 0.24 -1.07 120.40 112.45 2rmj s VAL 894 Ca 0.33 -1.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2rmj s VAL 894 Cb 0.00 -2.01 0.12 0.00 0.56 0.00 0.00 36.38 35.05 2rmj s VAL 894 CO 0.18 -0.08 0.26 -0.70 -0.31 0.00 0.00 175.10 174.44 2rmj s GLU 895 N 1.26 2.11 0.34 4.82 2.12 0.27 -1.74 118.70 127.88 2rmj s GLU 895 Ca -0.07 -2.03 -0.25 0.00 0.36 0.00 0.00 54.97 52.98 2rmj s GLU 895 Cb -0.19 -3.59 -0.14 0.00 0.26 0.00 0.00 34.13 30.47 2rmj s GLU 895 CO -0.06 -1.09 0.71 -0.25 -0.54 0.00 0.00 175.26 174.03 2rmj n ASP 896 N 4.24 -0.14 0.02 -1.70 9.92 -1.18 -2.85 116.55 124.86 2rmj n ASP 896 Ca 0.01 1.04 0.12 0.00 -0.53 0.00 0.00 54.79 55.44 2rmj n ASP 896 Cb 0.40 -1.15 0.27 0.00 -0.64 0.00 0.00 41.12 40.00 2rmj n ASP 896 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2rmj n ILE 897 N -0.33 0.11 0.42 0.53 -0.00 -1.26 0.19 119.36 119.03 2rmj n ILE 897 Ca 0.12 -0.09 0.11 0.00 -0.00 0.00 0.00 62.75 62.89 2rmj n ILE 897 Cb 0.34 0.03 -0.06 0.00 -0.00 0.00 0.00 39.64 39.95 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 -1.60 3.38 0.00 -1.39 0.00 -1.26 -4.61 120.51 115.03 2rmj n ALA 898 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2rmj n ALA 898 Cb 0.37 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.04 0.00 -0.50 0.00 -2.24 -1.22 -5.04 114.28 103.25 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 0.47 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.83 0.73 3.55 3.38 0.00 0.51 -4.97 105.19 111.21 2rmj n GLY 900 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 4.67 -0.01 1.61 1.01 -1.25 -4.75 120.40 119.68 2rmj s VAL 901 Ca 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 2rmj s VAL 901 Cb 0.00 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 2rmj s VAL 901 CO 0.00 -0.64 0.50 0.00 0.00 0.00 0.00 175.10 174.96 2rmj s GLN 902 N 3.25 4.17 -0.08 2.72 -2.07 -1.25 -3.12 119.66 123.29 2rmj s GLN 902 Ca 0.30 0.57 -0.14 0.00 -1.82 0.00 0.00 55.36 54.28 2rmj s GLN 902 Cb -0.12 -3.30 0.03 0.00 -1.09 0.00 0.00 33.01 28.53 2rmj s GLN 902 CO 0.21 0.49 0.34 0.99 -1.32 0.00 0.00 175.29 176.00 2rmj s THR 903 N -0.51 0.03 -0.20 3.63 2.01 -0.71 -4.90 115.64 114.99 2rmj s THR 903 Ca 0.27 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2rmj s THR 903 Cb -0.17 -0.56 0.04 0.00 0.01 0.00 0.00 72.50 71.82 2rmj s THR 903 CO 0.15 -0.12 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.37 2rmj s LEU 904 N -0.51 2.42 0.00 4.42 0.05 -1.26 -0.59 118.68 123.21 2rmj s LEU 904 Ca -0.06 -0.93 -0.18 0.00 0.05 0.00 0.00 54.13 53.01 2rmj s LEU 904 Cb -0.04 -1.31 0.27 0.00 -2.05 0.00 0.00 46.19 43.07 2rmj s LEU 904 CO 0.02 -0.13 1.00 -1.22 -0.55 0.00 0.00 176.35 175.48 2rmj n TYR 905 N 4.64 -3.83 -0.04 3.48 4.01 -1.26 -5.02 117.16 119.14 2rmj n TYR 905 Ca -0.15 -0.91 -0.09 0.00 -0.16 0.00 0.00 57.90 56.59 2rmj n TYR 905 Cb 0.46 -1.02 -0.03 0.00 -0.31 0.00 0.00 39.34 38.44 2rmj n TYR 905 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2rmj n SER 906 N -4.62 1.15 -4.61 7.72 3.41 -1.26 -4.26 113.62 111.15 2rmj n SER 906 Ca 0.14 0.18 -0.27 0.00 -0.26 0.00 0.00 58.87 58.66 2rmj n SER 906 Cb 0.53 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.30 2.21 0.53 4.33 2.47 -1.26 -4.37 119.74 121.35 2rmj s LYS 907 Ca -0.15 -1.19 0.30 0.00 -1.56 0.00 0.00 55.97 53.37 2rmj s LYS 907 Cb 0.04 -2.25 1.46 0.00 -1.46 0.00 0.00 37.83 35.63 2rmj s LYS 907 CO 0.20 0.45 2.05 -1.49 0.16 0.00 0.00 175.35 176.72 2rmj h TRP 908 N 2.84 0.00 -0.83 4.03 6.55 -1.96 -2.25 115.95 124.33 2rmj h TRP 908 Ca -0.47 0.00 0.24 0.00 0.95 0.00 0.00 58.89 59.61 2rmj h TRP 908 Cb 1.20 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.47 2rmj h TRP 908 CO 0.64 0.10 0.87 1.57 -1.05 0.00 0.00 178.44 180.58 2rmj h LYS 909 N 0.00 0.00 -1.31 0.49 5.09 -2.03 1.38 116.57 120.19 2rmj h LYS 909 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 60.65 60.36 2rmj h LYS 909 Cb 0.39 0.00 -0.18 0.00 0.10 0.00 0.00 32.23 32.54 2rmj h LYS 909 CO 0.01 0.00 0.49 -0.25 -2.09 0.00 0.00 179.45 177.62 2rmj n ASP 910 N -3.54 6.00 -4.72 7.07 8.00 -0.85 -4.96 116.55 123.54 2rmj n ASP 910 Ca 0.18 -3.17 -0.34 0.00 0.71 0.00 0.00 54.79 52.16 2rmj n ASP 910 Cb 1.15 -0.96 0.09 0.00 -0.02 0.00 0.00 41.12 41.37 2rmj n ASP 910 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2rmj s PHE 911 N -2.21 2.07 0.00 1.24 -0.12 0.47 -4.95 117.98 114.49 2rmj s PHE 911 Ca 0.38 1.59 0.00 0.00 -0.05 0.00 0.00 56.93 58.85 2rmj s PHE 911 Cb 0.30 -3.48 0.00 0.00 -0.63 0.00 0.00 43.02 39.21 2rmj s PHE 911 CO 0.01 -2.61 0.79 -2.39 -0.05 0.00 0.00 175.22 170.97 2rmj n HIS 912 N -2.63 0.00 -3.76 3.49 1.44 -1.26 -5.06 115.22 107.44 2rmj n HIS 912 Ca 0.14 -0.31 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2rmj n HIS 912 Cb 0.50 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.58 2rmj n HIS 912 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2rmj n PHE 913 N -0.31 0.00 -4.49 -1.40 3.01 -1.26 -5.18 117.46 107.82 2rmj n PHE 913 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 2rmj n PHE 913 Cb 0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.60 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 -1.29 1.79 -0.15 -1.08 4.04 -1.26 -5.10 118.70 115.65 2rmj s GLU 914 Ca 0.00 -2.04 -0.29 0.00 0.04 0.00 0.00 54.97 52.68 2rmj s GLU 914 Cb 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 34.13 33.30 2rmj s GLU 914 CO 0.00 -0.30 1.30 -1.59 -1.84 0.00 0.00 175.26 172.83 2rmj s LYS 915 N -3.83 4.23 -0.00 -4.83 0.00 -1.26 -4.46 119.74 109.59 2rmj s LYS 915 Ca 0.30 1.71 0.06 0.00 0.00 0.00 0.00 55.97 58.04 2rmj s LYS 915 Cb 0.06 -3.77 -0.02 0.00 0.00 0.00 0.00 37.83 34.10 2rmj s LYS 915 CO 0.14 -0.70 -0.18 0.42 0.00 0.00 0.00 175.35 175.03 2rmj s ILE 916 N 3.46 1.44 -0.08 3.79 1.01 -1.14 -4.91 121.20 124.78 2rmj s ILE 916 Ca 0.56 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 2rmj s ILE 916 Cb -0.23 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 2rmj s ILE 916 CO 0.16 0.34 1.23 -2.16 0.00 0.00 0.00 174.94 174.52 2rmj s PRO 917 N -0.60 4.31 -0.32 2.79 0.04 -1.26 -4.26 135.00 135.70 2rmj s PRO 917 Ca 0.07 1.69 -0.34 0.00 0.04 0.00 0.00 61.00 62.46 2rmj s PRO 917 Cb -0.07 -3.62 -0.10 0.00 0.04 0.00 0.00 34.50 30.75 2rmj s PRO 917 CO -0.00 -0.53 2.19 0.34 0.04 0.00 0.00 177.00 179.04 2rmj n PHE 918 N 5.59 1.68 -2.37 0.56 -0.00 -1.26 -4.88 117.46 116.78 2rmj n PHE 918 Ca 0.12 0.20 -0.43 0.00 -0.00 0.00 0.00 57.45 57.34 2rmj n PHE 918 Cb 0.46 -2.57 -0.02 0.00 -0.00 0.00 0.00 39.48 37.34 2rmj n PHE 918 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2rmj s ASP 919 N 7.47 6.92 0.24 -2.13 1.11 -1.26 -4.88 116.67 124.15 2rmj s ASP 919 Ca 1.08 1.80 0.25 0.00 0.18 0.00 0.00 52.55 55.86 2rmj s ASP 919 Cb -0.76 -2.54 0.90 0.00 1.07 0.00 0.00 42.92 41.59 2rmj s ASP 919 CO 0.46 -0.75 1.75 -0.81 1.18 0.00 0.00 175.17 177.00 2rmj n PRO 920 N 6.37 0.24 0.25 8.23 -0.04 -1.26 -2.60 135.00 146.18 2rmj n PRO 920 Ca 0.14 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 2rmj n PRO 920 Cb 0.45 -1.85 0.64 0.00 -0.04 0.00 0.00 33.50 32.70 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 2.38 1.23 0.07 0.55 0.00 -1.90 -2.89 119.26 118.70 2rmj h ALA 921 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2rmj h ALA 921 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2rmj h ALA 921 CO 0.00 0.20 -0.87 0.93 0.00 0.00 0.00 179.25 179.51 2rmj h GLU 922 N 0.00 0.14 -0.85 0.00 5.08 -1.91 -3.36 114.58 113.68 2rmj h GLU 922 Ca -0.00 -0.25 0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2rmj h GLU 922 Cb 0.45 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.64 2rmj h GLU 922 CO 0.02 1.12 -0.35 0.52 -1.00 0.00 0.00 179.01 179.32 2rmj h MET 923 N -0.64 -0.05 -2.67 2.33 2.86 -1.55 -3.42 114.93 111.80 2rmj h MET 923 Ca -0.19 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2rmj h MET 923 Cb 1.44 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.08 2rmj h MET 923 CO 0.01 -0.03 0.44 -1.54 1.06 0.00 0.00 176.91 176.85 2rmj s SER 924 N -5.28 -0.06 0.00 1.22 1.04 -1.15 -4.90 113.70 104.58 2rmj s SER 924 Ca -0.14 -0.75 0.12 0.00 0.48 0.00 0.00 55.95 55.66 2rmj s SER 924 Cb 0.20 0.62 0.73 0.00 0.10 0.00 0.00 66.02 67.67 2rmj s SER 924 CO 0.71 -1.21 1.16 1.17 0.98 0.00 0.00 173.24 176.06