#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 -0.20 -1.21 1.67 0.15 -1.26 -4.94 113.70 107.91 2rmj s SER 793 Ca 0.00 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2rmj s SER 793 Cb 0.00 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2rmj s SER 793 CO 0.00 -1.21 0.00 0.00 1.20 0.00 0.00 173.24 173.23 2rmj n GLN 794 N -0.48 -0.98 -3.50 5.44 6.02 -1.26 -4.97 117.38 117.66 2rmj n GLN 794 Ca -0.05 0.75 -0.42 0.00 -0.01 0.00 0.00 57.00 57.27 2rmj n GLN 794 Cb 0.60 -4.91 -0.07 0.00 1.02 0.00 0.00 30.24 26.88 2rmj n GLN 794 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2rmj s GLU 795 N -4.06 2.69 0.83 -1.09 2.12 -1.26 -5.07 118.70 112.87 2rmj s GLU 795 Ca 0.00 -1.88 -0.16 0.00 0.36 0.00 0.00 54.97 53.28 2rmj s GLU 795 Cb 0.00 -4.03 -0.10 0.00 0.26 0.00 0.00 34.13 30.25 2rmj s GLU 795 CO 0.00 -1.23 -0.24 1.63 -0.54 0.00 0.00 175.26 174.88 2rmj n LYS 796 N 4.77 0.01 -1.52 4.30 4.01 -1.26 -4.94 118.16 123.54 2rmj n LYS 796 Ca -0.06 0.02 -0.30 0.00 -0.51 0.00 0.00 58.31 57.47 2rmj n LYS 796 Cb 0.41 -1.27 0.20 0.00 -0.51 0.00 0.00 35.03 33.86 2rmj n LYS 796 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2rmj s PRO 797 N -2.14 -0.08 0.15 1.97 0.04 -1.26 -5.09 135.00 128.58 2rmj s PRO 797 Ca 0.51 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.47 2rmj s PRO 797 Cb -0.29 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2rmj s PRO 797 CO 0.72 -2.93 -0.19 0.15 0.04 0.00 0.00 177.00 174.79 2rmj s LYS 798 N -5.60 1.22 0.31 4.56 3.01 -1.26 -5.13 119.74 116.86 2rmj s LYS 798 Ca 0.71 -1.33 -0.28 0.00 -1.01 0.00 0.00 55.97 54.06 2rmj s LYS 798 Cb -0.08 -1.33 -0.09 0.00 -1.01 0.00 0.00 37.83 35.32 2rmj s LYS 798 CO 0.54 0.28 1.07 -1.25 0.51 0.00 0.00 175.35 176.51 2rmj s PRO 799 N -2.54 4.51 -0.11 -1.68 0.04 -1.26 -5.05 135.00 128.92 2rmj s PRO 799 Ca 0.13 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 2rmj s PRO 799 Cb -0.07 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2rmj s PRO 799 CO 0.06 0.13 -0.03 0.08 0.04 0.00 0.00 177.00 177.27 2rmj s VAL 800 N -1.31 4.02 0.00 -0.36 1.01 -1.26 -5.06 120.40 117.43 2rmj s VAL 800 Ca 0.48 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2rmj s VAL 800 Cb -0.29 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2rmj s VAL 800 CO 0.36 0.56 0.13 -0.81 0.00 0.00 0.00 175.10 175.34 2rmj n PRO 801 N 2.72 0.00 -4.38 2.72 -0.04 -1.26 -4.95 135.00 129.81 2rmj n PRO 801 Ca -0.18 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.08 2rmj n PRO 801 Cb 0.53 -0.66 -0.11 0.00 -0.04 0.00 0.00 33.50 33.22 2rmj n PRO 801 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2rmj s ASP 802 N -1.36 3.05 0.00 3.54 -4.77 -1.26 -5.06 116.67 110.81 2rmj s ASP 802 Ca 0.00 -0.89 0.00 0.00 -3.30 0.00 0.00 52.55 48.36 2rmj s ASP 802 Cb 0.00 -0.21 0.00 0.00 -1.09 0.00 0.00 42.92 41.62 2rmj s ASP 802 CO 0.00 0.03 0.00 0.29 0.70 0.00 0.00 175.17 176.19 2rmj n LYS 803 N 0.17 0.00 -0.07 2.11 5.02 -1.26 -5.04 118.16 119.09 2rmj n LYS 803 Ca -0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.08 2rmj n LYS 803 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.50 2rmj n LYS 803 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2rmj n GLU 804 N -0.50 0.86 -0.63 1.97 0.28 -1.26 -4.80 120.64 116.56 2rmj n GLU 804 Ca 0.00 0.06 -0.31 0.00 -0.16 0.00 0.00 57.16 56.76 2rmj n GLU 804 Cb 0.00 -1.30 0.19 0.00 1.43 0.00 0.00 31.44 31.76 2rmj n GLU 804 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2rmj n ASN 805 N -2.80 -0.63 -4.19 -1.84 5.15 -1.26 -5.03 115.26 104.67 2rmj n ASN 805 Ca -0.25 0.22 -0.20 0.00 -0.60 0.00 0.00 54.58 53.76 2rmj n ASN 805 Cb 0.81 -1.37 -0.12 0.00 -0.53 0.00 0.00 39.78 38.58 2rmj n ASN 805 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2rmj s LYS 806 N -4.41 0.89 0.24 1.20 2.20 -1.26 -4.37 119.74 114.23 2rmj s LYS 806 Ca 0.66 -0.98 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 2rmj s LYS 806 Cb -0.23 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 35.11 2rmj s LYS 806 CO 0.61 0.21 0.42 0.21 -0.36 0.00 0.00 175.35 176.44 2rmj s LYS 807 N -1.72 3.49 -0.01 4.03 2.20 0.89 -0.40 119.74 128.21 2rmj s LYS 807 Ca -0.00 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.21 2rmj s LYS 807 Cb -0.10 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2rmj s LYS 807 CO 0.03 0.35 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.70 2rmj s LEU 808 N -3.70 2.03 0.38 5.43 1.02 0.02 0.14 118.68 123.99 2rmj s LEU 808 Ca 0.38 -0.28 0.08 0.00 0.02 0.00 0.00 54.13 54.32 2rmj s LEU 808 Cb -0.10 -0.81 -0.07 0.00 0.02 0.00 0.00 46.19 45.23 2rmj s LEU 808 CO 0.31 0.19 -0.01 -0.76 0.02 0.00 0.00 176.35 176.10 2rmj s LEU 809 N -0.36 2.87 -0.33 1.79 1.02 0.26 -0.05 118.68 123.87 2rmj s LEU 809 Ca 0.06 -1.22 -0.10 0.00 0.02 0.00 0.00 54.13 52.88 2rmj s LEU 809 Cb -0.06 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 45.09 2rmj s LEU 809 CO -0.01 -0.35 0.18 0.00 0.02 0.00 0.00 176.35 176.19 2rmj h ARG 811 N 8.39 0.00 0.00 0.00 2.43 -1.89 1.35 114.38 124.66 2rmj h ARG 811 Ca -0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2rmj h ARG 811 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2rmj h ARG 811 CO 0.63 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.72 2rmj n LYS 812 N -3.49 0.00 -0.30 0.20 4.76 -1.26 -3.58 118.16 114.48 2rmj n LYS 812 Ca 0.20 0.70 0.07 0.00 -2.87 0.00 0.00 58.31 56.41 2rmj n LYS 812 Cb 1.26 -1.25 0.12 0.00 -1.84 0.00 0.00 35.03 33.32 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 -1.04 -1.39 -4.10 0.00 4.76 0.46 -4.97 118.16 111.87 2rmj n LYS 814 Ca 0.13 0.98 -0.14 0.00 -2.87 0.00 0.00 58.31 56.42 2rmj n LYS 814 Cb 0.68 -4.14 -0.11 0.00 -1.84 0.00 0.00 35.03 29.62 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 -3.11 0.76 0.11 7.82 0.00 -1.15 -4.78 121.76 121.41 2rmj s ALA 815 Ca 0.12 -0.89 -0.34 0.00 0.00 0.00 0.00 51.96 50.84 2rmj s ALA 815 Cb -0.04 0.02 -0.18 0.00 0.00 0.00 0.00 23.12 22.92 2rmj s ALA 815 CO 0.83 -0.00 0.87 -0.11 0.00 0.00 0.00 175.76 177.34 2rmj n LEU 816 N 1.23 -0.27 0.00 0.00 -0.00 -1.26 0.10 117.00 116.80 2rmj n LEU 816 Ca -0.21 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.94 2rmj n LEU 816 Cb 0.55 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 2rmj n LEU 816 CO 0.22 -2.25 -0.36 0.00 -0.00 0.00 0.00 177.39 175.00 2rmj n ALA 817 N 0.90 2.42 -3.00 1.96 0.00 0.92 -4.62 120.51 119.10 2rmj n ALA 817 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2rmj n ALA 817 Cb 0.17 0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -5.57 0.91 -0.54 0.00 2.02 -1.26 -0.80 117.35 112.11 2rmj s TYR 819 Ca 0.00 -0.65 0.25 0.00 -0.37 0.00 0.00 57.07 56.30 2rmj s TYR 819 Cb 0.00 -0.52 0.90 0.00 -0.40 0.00 0.00 41.96 41.94 2rmj s TYR 819 CO 0.00 -0.06 1.75 0.00 -1.57 0.00 0.00 175.55 175.68 2rmj h THR 820 N 3.76 0.00 0.00 -0.71 1.03 -1.05 -1.87 112.91 114.06 2rmj h THR 820 Ca -0.37 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 2rmj h THR 820 Cb 1.19 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 2rmj h THR 820 CO 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.02 2rmj n ALA 821 N -1.82 2.40 -0.37 0.00 0.00 -1.26 -2.86 120.51 116.60 2rmj n ALA 821 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2rmj n ALA 821 Cb 0.34 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.36 0.92 -4.53 0.00 10.43 -0.89 -4.99 116.55 116.13 2rmj n ASP 822 Ca 0.11 -1.30 -0.42 0.00 2.57 0.00 0.00 54.79 55.75 2rmj n ASP 822 Cb 0.27 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.16 2rmj n ASP 822 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2rmj s VAL 823 N -0.30 4.95 -0.21 2.53 0.11 -0.76 -0.72 120.40 126.01 2rmj s VAL 823 Ca 0.00 0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2rmj s VAL 823 Cb 0.00 -4.08 0.01 0.00 -1.53 0.00 0.00 36.38 30.78 2rmj s VAL 823 CO 0.00 -0.41 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.11 2rmj s ARG 824 N 2.53 3.03 0.02 1.54 1.81 0.93 -4.94 118.95 123.88 2rmj s ARG 824 Ca 0.19 -0.83 -0.22 0.00 -1.72 0.00 0.00 55.73 53.16 2rmj s ARG 824 Cb -0.15 -2.81 -0.06 0.00 -0.45 0.00 0.00 34.95 31.48 2rmj s ARG 824 CO 0.16 -0.27 0.64 0.14 -0.68 0.00 0.00 175.30 175.29 2rmj s VAL 825 N 1.35 4.82 -1.20 3.52 -7.23 -1.24 -3.02 120.40 117.39 2rmj s VAL 825 Ca 0.03 1.35 -0.20 0.00 -1.81 0.00 0.00 61.98 61.36 2rmj s VAL 825 Cb -0.15 -3.98 0.06 0.00 0.56 0.00 0.00 36.38 32.88 2rmj s VAL 825 CO -0.08 0.43 1.63 -0.63 -0.31 0.00 0.00 175.10 176.14 2rmj s ILE 826 N -0.31 4.07 -1.35 -0.62 1.01 -1.11 -2.95 121.20 119.94 2rmj s ILE 826 Ca 0.33 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.46 2rmj s ILE 826 Cb -0.19 -5.14 0.00 0.00 0.01 0.00 0.00 42.46 37.13 2rmj s ILE 826 CO 0.19 -1.99 0.00 -0.62 0.00 0.00 0.00 174.94 172.52 2rmj n GLU 827 N 8.52 -1.17 -3.38 2.79 1.02 -1.26 -2.24 120.64 124.92 2rmj n GLU 827 Ca 0.43 0.79 -0.19 0.00 -0.02 0.00 0.00 57.16 58.17 2rmj n GLU 827 Cb 0.48 -5.09 0.07 0.00 -0.02 0.00 0.00 31.44 26.88 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 -2.47 -6.51 -0.04 3.49 1.02 -1.25 -4.90 120.64 109.97 2rmj n GLU 828 Ca -0.17 0.71 -0.05 0.00 -0.02 0.00 0.00 57.16 57.62 2rmj n GLU 828 Cb 0.61 -5.38 -0.04 0.00 -0.02 0.00 0.00 31.44 26.60 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 -2.17 0.57 -0.27 0.00 3.76 -1.26 -4.96 115.29 110.97 2rmj s HIS 830 Ca -0.10 -0.96 -0.03 0.00 -0.15 0.00 0.00 55.06 53.82 2rmj s HIS 830 Cb 0.03 -0.26 0.03 0.00 1.11 0.00 0.00 32.58 33.48 2rmj s HIS 830 CO 0.21 -0.59 -0.02 0.71 -0.85 0.00 0.00 174.74 174.20 2rmj s TYR 831 N -3.99 3.11 0.21 1.40 2.02 -1.23 -2.73 117.35 116.15 2rmj s TYR 831 Ca 0.18 -1.46 0.06 0.00 -0.37 0.00 0.00 57.07 55.47 2rmj s TYR 831 Cb 0.06 -2.11 -0.05 0.00 -0.40 0.00 0.00 41.96 39.46 2rmj s TYR 831 CO -0.01 -0.70 -0.09 -0.08 -1.57 0.00 0.00 175.55 173.09 2rmj s THR 832 N 1.35 1.46 0.14 -0.71 -1.32 -1.17 -2.26 115.64 113.14 2rmj s THR 832 Ca 0.00 -2.13 0.10 0.00 -1.21 0.00 0.00 61.69 58.45 2rmj s THR 832 Cb -0.17 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 68.64 2rmj s THR 832 CO -0.02 -0.52 -0.23 -0.69 -2.21 0.00 0.00 174.62 170.94 2rmj s VAL 833 N -3.14 2.06 0.33 5.08 1.01 -1.26 -0.05 120.40 124.43 2rmj s VAL 833 Ca 0.24 -1.77 0.01 0.00 0.00 0.00 0.00 61.98 60.46 2rmj s VAL 833 Cb 0.02 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2rmj s VAL 833 CO 0.07 -0.05 0.08 0.18 0.00 0.00 0.00 175.10 175.38 2rmj n LEU 834 N 0.75 0.00 -0.08 3.92 4.77 0.11 -4.94 117.00 121.53 2rmj n LEU 834 Ca -0.17 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.83 2rmj n LEU 834 Cb 0.54 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 2rmj n LEU 834 CO 0.25 -0.34 -0.02 0.61 -1.33 0.00 0.00 177.39 176.55 2rmj n GLY 835 N 1.01 -3.11 0.17 -0.72 0.00 -1.26 -4.46 105.19 96.82 2rmj n GLY 835 Ca -0.10 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.82 2rmj n GLY 835 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2rmj h ASP 836 N 0.09 0.00 -0.64 1.61 1.82 -1.91 -2.46 116.42 114.94 2rmj h ASP 836 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 57.03 56.83 2rmj h ASP 836 Cb 0.00 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 2rmj h ASP 836 CO 0.00 0.43 0.66 0.00 -1.61 0.00 0.00 179.24 178.72 2rmj h ALA 837 N 1.57 2.42 0.00 -0.78 0.00 -2.01 1.38 119.26 121.84 2rmj h ALA 837 Ca -0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2rmj h ALA 837 Cb 0.79 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2rmj h ALA 837 CO 0.06 -0.98 -1.25 0.35 0.00 0.00 0.00 179.25 177.42 2rmj h PHE 838 N 0.00 0.00 -0.03 0.00 3.57 -1.66 -3.29 116.94 115.53 2rmj h PHE 838 Ca 0.30 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.81 2rmj h PHE 838 Cb 1.61 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.35 2rmj h PHE 838 CO 0.00 0.78 0.03 0.87 -2.23 0.00 0.00 178.31 177.75 2rmj h LYS 839 N 0.00 0.00 -0.00 1.11 1.57 0.18 0.43 116.57 119.86 2rmj h LYS 839 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2rmj h LYS 839 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.02 2rmj h LYS 839 CO 0.08 0.00 -0.21 -0.85 -0.57 0.00 0.00 179.45 177.90 2rmj n GLU 840 N -4.46 0.08 0.04 3.15 0.28 -1.02 -3.30 120.64 115.41 2rmj n GLU 840 Ca -0.02 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.83 2rmj n GLU 840 Cb 0.12 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.36 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 -3.32 0.00 -4.01 0.00 -1.74 -0.82 -2.25 117.46 105.31 2rmj n PHE 842 Ca -0.12 -0.01 -0.09 0.00 -0.56 0.00 0.00 57.45 56.66 2rmj n PHE 842 Cb 1.02 -0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.93 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 0.10 -0.09 1.97 -7.23 0.51 -4.24 120.40 109.91 2rmj s VAL 843 Ca 0.00 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2rmj s VAL 843 Cb 0.00 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.17 2rmj s VAL 843 CO 0.00 -0.47 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.32 2rmj s SER 844 N -2.97 1.82 -0.27 4.85 1.04 -1.26 -1.64 113.70 115.26 2rmj s SER 844 Ca 0.16 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 2rmj s SER 844 Cb 0.05 -0.68 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 2rmj s SER 844 CO -0.02 -0.12 0.44 -0.13 0.98 0.00 0.00 173.24 174.40 2rmj s ARG 845 N 1.57 4.00 0.00 4.02 1.81 0.39 -5.01 118.95 125.73 2rmj s ARG 845 Ca 0.01 0.13 0.00 0.00 -1.72 0.00 0.00 55.73 54.15 2rmj s ARG 845 Cb -0.13 -3.67 0.00 0.00 -0.45 0.00 0.00 34.95 30.70 2rmj s ARG 845 CO -0.05 -0.34 0.00 -0.35 -0.68 0.00 0.00 175.30 173.88 2rmj n PRO 846 N 5.45 0.71 0.00 3.54 -0.04 -1.26 -3.05 135.00 140.35 2rmj n PRO 846 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2rmj n PRO 846 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.64 0.00 -2.55 0.54 8.25 -1.26 -4.80 115.22 114.76 2rmj n HIS 847 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2rmj n HIS 847 Cb 0.00 -0.21 -0.04 0.00 1.12 0.00 0.00 29.99 30.86 2rmj n HIS 847 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2rmj s PRO 848 N -3.77 3.84 -0.05 -0.41 0.04 -1.26 -4.26 135.00 129.13 2rmj s PRO 848 Ca 0.00 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.40 2rmj s PRO 848 Cb 0.00 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2rmj s PRO 848 CO 0.00 -0.40 0.08 0.21 0.04 0.00 0.00 177.00 176.93 2rmj s LYS 849 N -3.16 -0.01 0.00 4.56 2.47 -1.26 -4.92 119.74 117.41 2rmj s LYS 849 Ca 0.66 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 55.42 2rmj s LYS 849 Cb -0.17 -0.32 0.00 0.00 -1.46 0.00 0.00 37.83 35.88 2rmj s LYS 849 CO 0.21 -0.24 0.00 -0.35 0.16 0.00 0.00 175.35 175.13 2rmj n PRO 850 N 4.74 0.00 -4.35 4.03 -0.04 -1.26 -4.55 135.00 133.56 2rmj n PRO 850 Ca -0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 2rmj n PRO 850 Cb 0.50 -0.14 -0.09 0.00 -0.04 0.00 0.00 33.50 33.73 2rmj n PRO 850 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rmj n LYS 851 N -0.02 -0.99 -1.30 0.54 4.76 -1.26 -4.51 118.16 115.38 2rmj n LYS 851 Ca 0.00 0.11 -0.47 0.00 -2.87 0.00 0.00 58.31 55.08 2rmj n LYS 851 Cb 0.00 -3.85 -0.13 0.00 -1.84 0.00 0.00 35.03 29.22 2rmj n LYS 851 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2rmj n GLN 852 N -4.48 0.00 -2.66 1.97 1.13 -1.26 -4.86 117.38 107.22 2rmj n GLN 852 Ca -0.24 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.73 2rmj n GLN 852 Cb 0.65 -1.42 -0.02 0.00 0.11 0.00 0.00 30.24 29.57 2rmj n GLN 852 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2rmj n PHE 853 N 8.52 -0.05 0.00 1.08 3.01 -1.26 -5.08 117.46 123.67 2rmj n PHE 853 Ca 0.57 -0.75 0.00 0.00 1.01 0.00 0.00 57.45 58.28 2rmj n PHE 853 Cb -0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 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 -1.32 3.79 0.00 4.37 7.64 -1.26 -4.87 113.62 121.97 2rmj n SER 854 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2rmj n SER 854 Cb 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 2rmj n SER 854 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rmj n SER 855 N -2.49 0.00 -4.15 6.43 3.41 -1.26 -4.87 113.62 110.69 2rmj n SER 855 Ca 0.00 0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 59.05 2rmj n SER 855 Cb 0.49 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 2rmj n SER 855 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2rmj s PHE 856 N -1.20 0.94 -0.57 7.33 0.40 -1.26 -5.11 117.98 118.51 2rmj s PHE 856 Ca 0.00 -1.23 -0.22 0.00 -0.60 0.00 0.00 56.93 54.89 2rmj s PHE 856 Cb 0.00 -0.43 0.06 0.00 0.51 0.00 0.00 43.02 43.16 2rmj s PHE 856 CO 0.00 -0.65 0.82 -1.21 0.70 0.00 0.00 175.22 174.89 2rmj s GLU 857 N -4.10 3.18 -0.46 0.44 2.02 -1.26 -4.75 118.70 113.77 2rmj s GLU 857 Ca 0.32 -0.70 -0.11 0.00 0.02 0.00 0.00 54.97 54.50 2rmj s GLU 857 Cb 0.06 -4.13 0.10 0.00 0.10 0.00 0.00 34.13 30.27 2rmj s GLU 857 CO 0.08 -1.48 0.34 -1.59 0.02 0.00 0.00 175.26 172.63 2rmj s LYS 858 N 3.43 2.63 -0.36 1.61 -2.85 -1.26 -3.60 119.74 119.34 2rmj s LYS 858 Ca 0.22 -1.63 0.07 0.00 -1.00 0.00 0.00 55.97 53.63 2rmj s LYS 858 Cb -0.17 -3.95 0.61 0.00 -2.06 0.00 0.00 37.83 32.26 2rmj s LYS 858 CO 0.13 -1.12 1.71 0.54 0.10 0.00 0.00 175.35 176.71 2rmj n ARG 859 N 4.98 2.34 -3.63 1.78 1.74 -1.12 -4.58 116.66 118.18 2rmj n ARG 859 Ca -0.10 -3.08 -0.03 0.00 -0.77 0.00 0.00 57.85 53.87 2rmj n ARG 859 Cb 0.42 -2.03 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 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 -3.22 -2.13 0.06 7.54 0.00 -1.22 -4.13 121.76 118.66 2rmj s ALA 860 Ca 0.51 1.83 0.08 0.00 0.00 0.00 0.00 51.96 54.38 2rmj s ALA 860 Cb 0.44 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2rmj s ALA 860 CO 0.07 -0.40 -0.19 0.15 0.00 0.00 0.00 175.76 175.39 2rmj s LYS 861 N -1.58 1.96 0.10 0.00 3.01 -1.17 -0.33 119.74 121.74 2rmj s LYS 861 Ca 0.09 -1.05 0.03 0.00 -1.01 0.00 0.00 55.97 54.04 2rmj s LYS 861 Cb -0.01 -2.14 -0.04 0.00 -1.01 0.00 0.00 37.83 34.63 2rmj s LYS 861 CO -0.05 0.52 0.12 0.96 0.51 0.00 0.00 175.35 177.41 2rmj s ILE 862 N -0.96 4.66 0.02 2.17 -5.25 -0.76 -0.46 121.20 120.61 2rmj s ILE 862 Ca 0.15 -0.81 -0.15 0.00 -0.99 0.00 0.00 60.65 58.85 2rmj s ILE 862 Cb -0.10 -3.29 0.02 0.00 2.95 0.00 0.00 42.46 42.04 2rmj s ILE 862 CO 0.06 0.05 0.33 -0.36 -1.79 0.00 0.00 174.94 173.23 2rmj s PHE 863 N -1.52 -0.17 0.34 1.37 0.40 -0.65 -3.18 117.98 114.57 2rmj s PHE 863 Ca 0.31 0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 56.51 2rmj s PHE 863 Cb -0.12 0.12 -0.11 0.00 0.51 0.00 0.00 43.02 43.42 2rmj s PHE 863 CO 0.23 -0.46 1.48 0.00 0.70 0.00 0.00 175.22 177.17 2rmj n ALA 865 N 0.99 2.14 -0.94 0.00 0.00 -0.96 -3.66 120.51 118.08 2rmj n ALA 865 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2rmj n ALA 865 Cb 0.39 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.81 -2.11 0.06 0.00 5.12 -1.26 -4.78 116.66 111.87 2rmj n ARG 866 Ca 0.05 -0.13 0.21 0.00 -1.93 0.00 0.00 57.85 56.05 2rmj n ARG 866 Cb 0.33 -0.16 0.74 0.00 -1.16 0.00 0.00 32.46 32.21 2rmj n ARG 866 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 2rmj h GLN 867 N 0.00 0.00 -4.43 5.56 4.15 -2.01 -3.31 115.11 115.08 2rmj h GLN 867 Ca -0.03 0.00 -0.73 0.00 0.77 0.00 0.00 58.65 58.66 2rmj h GLN 867 Cb 0.11 0.00 -0.22 0.00 0.21 0.00 0.00 27.48 27.59 2rmj h GLN 867 CO 0.02 0.00 -0.07 -0.80 -1.93 0.00 0.00 178.83 176.05 2rmj s ASN 868 N -5.66 6.19 -0.01 -0.69 -0.87 -1.26 -4.78 114.94 107.85 2rmj s ASN 868 Ca -0.05 -1.54 0.11 0.00 -1.57 0.00 0.00 52.86 49.82 2rmj s ASN 868 Cb 0.17 -2.25 -0.16 0.00 -0.02 0.00 0.00 41.25 38.99 2rmj s ASN 868 CO 0.62 -0.95 0.31 0.00 -2.57 0.00 0.00 177.10 174.51 2rmj n SER 870 N -1.72 0.37 -4.22 0.00 7.64 -1.26 -4.63 113.62 109.80 2rmj n SER 870 Ca -0.01 -1.61 -0.34 0.00 1.01 0.00 0.00 58.87 57.92 2rmj n SER 870 Cb 0.26 -0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.29 2rmj n SER 870 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2rmj s HIS 871 N -1.94 3.03 -0.11 1.43 4.02 -1.26 -5.10 115.29 115.36 2rmj s HIS 871 Ca 0.23 -1.44 -0.05 0.00 1.02 0.00 0.00 55.06 54.81 2rmj s HIS 871 Cb 0.11 -2.06 -0.04 0.00 -1.02 0.00 0.00 32.58 29.57 2rmj s HIS 871 CO 0.18 -0.70 0.09 0.16 1.02 0.00 0.00 174.74 175.49 2rmj s ASP 872 N 1.35 5.99 0.00 1.40 1.47 -1.25 -2.85 116.67 122.78 2rmj s ASP 872 Ca 0.02 0.35 0.00 0.00 1.18 0.00 0.00 52.55 54.10 2rmj s ASP 872 Cb -0.16 -1.87 0.00 0.00 -0.34 0.00 0.00 42.92 40.55 2rmj s ASP 872 CO -0.05 0.39 0.50 -2.67 0.68 0.00 0.00 175.17 174.03 2rmj n TRP 873 N 2.08 0.00 -2.52 2.11 4.27 -1.19 -4.99 117.44 117.21 2rmj n TRP 873 Ca -0.19 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.42 2rmj n TRP 873 Cb 0.54 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.49 2rmj n TRP 873 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2rmj n GLY 874 N 0.03 2.35 3.47 -1.67 0.00 -1.26 -4.53 105.19 103.58 2rmj n GLY 874 Ca 0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.86 0.00 -0.36 -0.61 -0.00 -1.26 -1.83 121.20 114.28 2rmj s ILE 875 Ca 0.00 -1.61 -0.02 0.00 -0.00 0.00 0.00 60.65 59.02 2rmj s ILE 875 Cb 0.00 -2.52 0.09 0.00 -0.00 0.00 0.00 42.46 40.03 2rmj s ILE 875 CO 0.00 0.00 0.11 -2.28 -0.00 0.00 0.00 174.94 172.77 2rmj s HIS 876 N -3.42 3.49 0.53 1.37 2.46 0.56 -3.05 115.29 117.22 2rmj s HIS 876 Ca 0.30 -2.28 0.04 0.00 0.47 0.00 0.00 55.06 53.59 2rmj s HIS 876 Cb 0.01 -2.77 0.02 0.00 -0.13 0.00 0.00 32.58 29.70 2rmj s HIS 876 CO 0.17 -0.91 0.25 0.14 -2.47 0.00 0.00 174.74 171.92 2rmj s VAL 877 N 1.16 1.51 -0.02 0.89 -7.23 -1.24 -2.78 120.40 112.69 2rmj s VAL 877 Ca 0.04 -1.68 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 2rmj s VAL 877 Cb -0.21 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 2rmj s VAL 877 CO -0.03 0.00 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.81 2rmj s LYS 878 N -4.12 1.69 0.31 4.82 2.20 -1.24 -2.79 119.74 120.61 2rmj s LYS 878 Ca 0.24 -0.71 0.11 0.00 -0.36 0.00 0.00 55.97 55.25 2rmj s LYS 878 Cb -0.01 -1.60 -0.06 0.00 -1.51 0.00 0.00 37.83 34.66 2rmj s LYS 878 CO 0.15 0.41 -0.13 -0.47 -0.36 0.00 0.00 175.35 174.95 2rmj s TYR 879 N -0.39 2.39 0.63 4.03 6.14 -0.62 -4.77 117.35 124.76 2rmj s TYR 879 Ca 0.06 -0.39 0.27 0.00 0.64 0.00 0.00 57.07 57.65 2rmj s TYR 879 Cb -0.08 -1.20 1.45 0.00 0.42 0.00 0.00 41.96 42.55 2rmj s TYR 879 CO -0.00 0.64 1.84 0.87 0.64 0.00 0.00 175.55 179.53 2rmj h LYS 880 N 2.10 0.00 0.00 4.97 1.79 -2.05 -2.91 116.57 120.48 2rmj h LYS 880 Ca -0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2rmj h LYS 880 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 2rmj h LYS 880 CO 0.64 0.00 0.00 2.41 -1.08 0.00 0.00 179.45 181.42 2rmj n THR 881 N -3.19 0.00 -4.03 -0.16 -1.04 -1.26 -5.08 114.28 99.51 2rmj n THR 881 Ca 0.03 0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 62.21 2rmj n THR 881 Cb 0.56 -1.03 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 2rmj n THR 881 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2rmj s PHE 882 N -0.58 0.65 -0.41 -1.42 0.40 -1.10 -5.11 117.98 110.42 2rmj s PHE 882 Ca 0.00 -0.98 -0.19 0.00 -0.60 0.00 0.00 56.93 55.16 2rmj s PHE 882 Cb 0.00 0.09 0.02 0.00 0.51 0.00 0.00 43.02 43.64 2rmj s PHE 882 CO 0.00 -1.07 0.54 -2.00 0.70 0.00 0.00 175.22 173.40 2rmj s GLU 883 N -3.54 3.32 0.04 0.44 2.12 -1.26 -1.59 118.70 118.22 2rmj s GLU 883 Ca 0.26 -0.44 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 2rmj s GLU 883 Cb -0.00 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 2rmj s GLU 883 CO 0.14 -0.86 0.04 0.96 -0.54 0.00 0.00 175.26 174.99 2rmj s ILE 884 N 2.49 0.15 -0.47 -3.70 -5.25 -1.12 -5.00 121.20 108.30 2rmj s ILE 884 Ca 0.18 -1.24 -0.28 0.00 -0.99 0.00 0.00 60.65 58.31 2rmj s ILE 884 Cb -0.15 -0.92 0.01 0.00 2.95 0.00 0.00 42.46 44.34 2rmj s ILE 884 CO 0.16 -0.69 1.44 -2.16 -1.79 0.00 0.00 174.94 171.90 2rmj s PRO 885 N -2.72 3.44 -0.29 0.37 0.04 -1.26 -3.59 135.00 130.99 2rmj s PRO 885 Ca -0.04 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.59 2rmj s PRO 885 Cb -0.01 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.44 2rmj s PRO 885 CO -0.05 -1.74 0.55 0.08 0.04 0.00 0.00 177.00 175.88 2rmj s VAL 886 N 5.82 5.01 0.53 -0.36 1.01 -1.17 -4.59 120.40 126.66 2rmj s VAL 886 Ca 0.59 0.78 0.08 0.00 0.00 0.00 0.00 61.98 63.42 2rmj s VAL 886 Cb -0.13 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.39 2rmj s VAL 886 CO 0.30 -0.05 0.55 -0.63 0.00 0.00 0.00 175.10 175.28 2rmj s ILE 887 N 2.43 2.08 0.38 2.22 -1.09 -0.96 -3.98 121.20 122.27 2rmj s ILE 887 Ca 0.22 -1.26 0.08 0.00 -2.23 0.00 0.00 60.65 57.46 2rmj s ILE 887 Cb -0.15 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.36 2rmj s ILE 887 CO 0.11 0.00 0.27 -1.59 -1.23 0.00 0.00 174.94 172.50 2rmj s LYS 888 N -4.41 2.48 0.43 2.79 -2.85 -1.26 -3.47 119.74 113.45 2rmj s LYS 888 Ca 0.48 -1.54 0.24 0.00 -1.00 0.00 0.00 55.97 54.14 2rmj s LYS 888 Cb -0.04 -2.28 0.52 0.00 -2.06 0.00 0.00 37.83 33.97 2rmj s LYS 888 CO 0.30 -0.05 1.67 0.97 0.10 0.00 0.00 175.35 178.33 2rmj h ILE 889 N 1.27 0.17 -0.54 3.79 2.10 -1.90 -2.84 117.51 119.55 2rmj h ILE 889 Ca -0.43 -1.11 0.00 0.00 1.08 0.00 0.00 64.86 64.40 2rmj h ILE 889 Cb 1.26 1.96 0.00 0.00 -1.09 0.00 0.00 36.82 38.95 2rmj h ILE 889 CO 0.61 0.09 0.00 -1.84 -1.08 0.00 0.00 178.15 175.93 2rmj n GLU 890 N -3.14 3.16 -0.09 2.19 0.28 -1.25 -3.52 120.64 118.27 2rmj n GLU 890 Ca 0.03 -2.33 -0.23 0.00 -0.16 0.00 0.00 57.16 54.46 2rmj n GLU 890 Cb 0.52 -1.75 -0.12 0.00 1.43 0.00 0.00 31.44 31.52 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 0.94 1.92 -4.41 -1.84 7.64 -1.07 -4.99 113.62 111.81 2rmj n SER 891 Ca 0.21 0.36 -0.21 0.00 1.01 0.00 0.00 58.87 60.24 2rmj n SER 891 Cb 0.73 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.42 1.94 0.38 1.43 -0.12 -1.26 -4.26 117.98 113.67 2rmj s PHE 892 Ca -0.30 -0.61 0.02 0.00 -0.05 0.00 0.00 56.93 56.00 2rmj s PHE 892 Cb 0.07 -1.02 -0.01 0.00 -0.63 0.00 0.00 43.02 41.43 2rmj s PHE 892 CO 0.60 0.37 0.56 0.14 -0.05 0.00 0.00 175.22 176.84 2rmj s VAL 893 N -2.93 4.41 -0.23 -2.49 -7.23 0.17 -4.65 120.40 107.45 2rmj s VAL 893 Ca 0.28 -0.66 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 2rmj s VAL 893 Cb 0.01 -3.59 0.05 0.00 0.56 0.00 0.00 36.38 33.42 2rmj s VAL 893 CO 0.11 -0.35 -0.09 0.54 -0.31 0.00 0.00 175.10 175.00 2rmj s VAL 894 N -2.35 1.83 -0.18 1.32 0.11 0.11 -0.58 120.40 120.66 2rmj s VAL 894 Ca 0.44 -1.33 -0.01 0.00 -2.93 0.00 0.00 61.98 58.16 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 0.35 0.01 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.30 2rmj s GLU 895 N 1.27 3.20 0.37 1.54 2.12 0.36 -1.52 118.70 126.06 2rmj s GLU 895 Ca -0.06 -0.74 -0.26 0.00 0.36 0.00 0.00 54.97 54.28 2rmj s GLU 895 Cb -0.19 -2.72 -0.09 0.00 0.26 0.00 0.00 34.13 31.40 2rmj s GLU 895 CO -0.06 -0.10 1.16 -0.51 -0.54 0.00 0.00 175.26 175.21 2rmj s ASP 896 N 1.11 6.71 0.00 -1.70 1.01 -1.16 -0.08 116.67 122.56 2rmj s ASP 896 Ca 0.00 2.34 0.26 0.00 0.71 0.00 0.00 52.55 55.87 2rmj s ASP 896 Cb -0.14 -2.62 0.70 0.00 1.01 0.00 0.00 42.92 41.87 2rmj s ASP 896 CO -0.04 -0.54 1.55 -0.38 0.21 0.00 0.00 175.17 175.96 2rmj n ILE 897 N 0.35 0.00 0.54 0.77 -0.00 -1.26 0.19 119.36 119.95 2rmj n ILE 897 Ca 0.03 -0.01 0.11 0.00 -0.00 0.00 0.00 62.75 62.87 2rmj n ILE 897 Cb 0.46 0.10 -0.13 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 -1.41 3.85 0.00 -1.39 0.00 -1.26 -4.53 120.51 115.76 2rmj n ALA 898 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2rmj n ALA 898 Cb 0.33 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.85 0.00 -0.48 0.00 -2.24 -1.21 -4.95 114.28 103.54 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 0.44 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 2.63 0.72 3.54 3.38 0.00 0.51 -4.96 105.19 111.02 2rmj n GLY 900 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 4.80 0.08 1.61 1.01 -1.25 -4.74 120.40 119.90 2rmj s VAL 901 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 2rmj s VAL 901 Cb 0.00 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2rmj s VAL 901 CO 0.00 -0.52 0.44 0.00 0.00 0.00 0.00 175.10 175.01 2rmj s GLN 902 N 2.91 3.85 -0.12 2.72 -2.07 -1.25 -3.01 119.66 122.69 2rmj s GLN 902 Ca 0.25 0.31 -0.19 0.00 -1.82 0.00 0.00 55.36 53.91 2rmj s GLN 902 Cb -0.14 -3.04 0.05 0.00 -1.09 0.00 0.00 33.01 28.79 2rmj s GLN 902 CO 0.18 0.57 0.48 0.99 -1.32 0.00 0.00 175.29 176.20 2rmj s THR 903 N -1.34 0.01 -0.24 3.63 2.01 -0.57 -4.89 115.64 114.26 2rmj s THR 903 Ca 0.32 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.23 2rmj s THR 903 Cb -0.15 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 71.69 2rmj s THR 903 CO 0.17 -0.06 -0.13 -1.48 -0.69 0.00 0.00 174.62 172.43 2rmj s LEU 904 N -0.37 3.09 0.00 4.42 0.05 -1.26 0.07 118.68 124.68 2rmj s LEU 904 Ca -0.05 -1.18 -0.05 0.00 0.05 0.00 0.00 54.13 52.89 2rmj s LEU 904 Cb -0.03 -1.54 0.08 0.00 -2.05 0.00 0.00 46.19 42.65 2rmj s LEU 904 CO 0.03 -0.14 0.33 -1.22 -0.55 0.00 0.00 176.35 174.81 2rmj n TYR 905 N 4.49 -3.52 0.03 3.48 4.01 -1.23 -4.97 117.16 119.45 2rmj n TYR 905 Ca -0.16 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 2rmj n TYR 905 Cb 0.44 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2rmj n TYR 905 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2rmj n SER 906 N -3.43 0.40 -4.69 7.72 7.64 -1.26 -3.84 113.62 116.16 2rmj n SER 906 Ca 0.04 0.09 -0.29 0.00 1.01 0.00 0.00 58.87 59.72 2rmj n SER 906 Cb 0.17 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.19 2rmj n SER 906 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2rmj s LYS 907 N -2.00 2.55 0.06 1.43 2.47 -1.26 -4.23 119.74 118.76 2rmj s LYS 907 Ca 0.00 -0.90 0.24 0.00 -1.56 0.00 0.00 55.97 53.74 2rmj s LYS 907 Cb 0.00 -2.51 0.96 0.00 -1.46 0.00 0.00 37.83 34.82 2rmj s LYS 907 CO 0.00 0.52 1.74 0.91 0.16 0.00 0.00 175.35 178.68 2rmj n TRP 908 N 0.32 0.24 0.19 4.03 8.01 -1.26 -2.63 117.44 126.34 2rmj n TRP 908 Ca -0.10 0.08 0.11 0.00 -1.31 0.00 0.00 57.50 56.28 2rmj n TRP 908 Cb 0.53 -0.63 0.58 0.00 -2.01 0.00 0.00 31.31 29.78 2rmj n TRP 908 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 2rmj n LYS 909 N -1.71 0.15 -0.14 -0.99 2.85 -1.26 0.28 118.16 117.34 2rmj n LYS 909 Ca 0.05 0.62 0.04 0.00 -1.05 0.00 0.00 58.31 57.97 2rmj n LYS 909 Cb 0.29 -1.96 0.11 0.00 -0.65 0.00 0.00 35.03 32.83 2rmj n LYS 909 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2rmj n ASP 910 N -2.26 1.41 -4.56 -5.58 10.43 -1.08 -4.80 116.55 110.10 2rmj n ASP 910 Ca -0.01 -2.02 -0.14 0.00 2.57 0.00 0.00 54.79 55.19 2rmj n ASP 910 Cb 0.06 -0.19 -0.07 0.00 1.84 0.00 0.00 41.12 42.75 2rmj n ASP 910 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2rmj s PHE 911 N -1.66 1.16 -0.44 1.24 -0.12 0.14 -4.70 117.98 113.60 2rmj s PHE 911 Ca 0.17 2.00 0.04 0.00 -0.05 0.00 0.00 56.93 59.08 2rmj s PHE 911 Cb 0.09 -3.44 0.48 0.00 -0.63 0.00 0.00 43.02 39.53 2rmj s PHE 911 CO 0.11 -1.48 1.61 1.58 -0.05 0.00 0.00 175.22 176.99 2rmj n HIS 912 N 18.71 2.57 0.00 3.49 -0.00 -1.26 -4.78 115.22 133.95 2rmj n HIS 912 Ca 0.46 -2.35 0.00 0.00 0.46 0.00 0.00 57.72 56.29 2rmj n HIS 912 Cb 0.44 -0.82 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 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 -0.91 0.00 -3.60 1.57 3.01 -1.26 -5.14 117.46 111.13 2rmj n PHE 913 Ca 0.50 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.87 2rmj n PHE 913 Cb 0.93 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.34 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 0.00 0.45 -0.19 -1.08 -1.05 -1.26 -5.14 118.70 110.43 2rmj s GLU 914 Ca 0.00 0.20 -0.24 0.00 -0.15 0.00 0.00 54.97 54.78 2rmj s GLU 914 Cb 0.00 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 2rmj s GLU 914 CO 0.00 -0.12 0.77 -1.59 0.95 0.00 0.00 175.26 175.27 2rmj s LYS 915 N -0.79 4.25 -0.17 -4.83 -2.85 -1.26 -4.56 119.74 109.54 2rmj s LYS 915 Ca 0.01 0.88 -0.01 0.00 -1.00 0.00 0.00 55.97 55.85 2rmj s LYS 915 Cb -0.02 -3.59 0.05 0.00 -2.06 0.00 0.00 37.83 32.21 2rmj s LYS 915 CO -0.02 -0.34 -0.02 0.42 0.10 0.00 0.00 175.35 175.48 2rmj s ILE 916 N 2.22 0.91 -0.40 3.79 1.01 -1.15 -5.00 121.20 122.58 2rmj s ILE 916 Ca 0.35 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 2rmj s ILE 916 Cb -0.16 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2rmj s ILE 916 CO 0.11 0.04 1.41 -2.16 0.00 0.00 0.00 174.94 174.33 2rmj s PRO 917 N 1.71 3.60 -0.28 2.79 0.04 -1.26 -3.73 135.00 137.86 2rmj s PRO 917 Ca 0.00 0.96 -0.41 0.00 0.04 0.00 0.00 61.00 61.59 2rmj s PRO 917 Cb -0.16 -4.02 -0.18 0.00 0.04 0.00 0.00 34.50 30.18 2rmj s PRO 917 CO -0.07 -1.54 1.28 0.34 0.04 0.00 0.00 177.00 177.05 2rmj n PHE 918 N 8.74 1.22 -4.34 0.56 -0.00 -1.26 -4.92 117.46 117.46 2rmj n PHE 918 Ca 0.16 1.03 -0.35 0.00 -0.00 0.00 0.00 57.45 58.29 2rmj n PHE 918 Cb 0.48 -2.01 -0.09 0.00 -0.00 0.00 0.00 39.48 37.86 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 1.67 5.31 0.06 -2.13 1.01 -1.26 -4.99 116.67 116.35 2rmj s ASP 919 Ca 0.92 0.16 0.23 0.00 0.71 0.00 0.00 52.55 54.57 2rmj s ASP 919 Cb -1.30 -1.51 0.92 0.00 1.01 0.00 0.00 42.92 42.04 2rmj s ASP 919 CO 0.67 0.38 1.71 -0.81 0.21 0.00 0.00 175.17 177.33 2rmj n PRO 920 N 2.11 0.06 0.15 8.23 -0.04 -1.26 -2.42 135.00 141.84 2rmj n PRO 920 Ca -0.19 0.18 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 2rmj n PRO 920 Cb 0.54 -1.59 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.66 0.77 0.00 0.55 0.00 -1.94 -3.20 119.26 118.09 2rmj h ALA 921 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2rmj h ALA 921 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2rmj h ALA 921 CO 0.00 0.60 -0.12 0.93 0.00 0.00 0.00 179.25 180.67 2rmj h GLU 922 N 0.00 0.00 -0.87 0.00 4.39 -1.89 -3.37 114.58 112.84 2rmj h GLU 922 Ca -0.00 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.79 2rmj h GLU 922 Cb 1.23 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.76 2rmj h GLU 922 CO 0.06 0.75 -0.54 1.98 -1.16 0.00 0.00 179.01 180.10 2rmj h MET 923 N -1.00 -0.08 -6.81 2.33 4.05 -1.63 -3.39 114.93 108.40 2rmj h MET 923 Ca -0.03 0.01 -0.48 0.00 -0.28 0.00 0.00 59.70 58.91 2rmj h MET 923 Cb 0.79 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 2rmj h MET 923 CO -0.02 -0.05 0.36 -1.54 0.23 0.00 0.00 176.91 175.89 2rmj s SER 924 N -5.38 7.47 0.00 1.39 1.04 -1.21 -4.84 113.70 112.17 2rmj s SER 924 Ca -0.13 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.24 2rmj s SER 924 Cb 0.12 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2rmj s SER 924 CO 0.64 0.03 0.32 1.17 0.98 0.00 0.00 173.24 176.38