#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjx s VAL 802 N 0.00 0.72 0.07 5.09 1.01 -1.26 -1.78 120.40 124.25 1sjx s VAL 802 Ca 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1sjx s VAL 802 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1sjx s VAL 802 CO 0.00 0.05 -0.25 -1.10 0.00 0.00 0.00 175.10 173.81 1sjx s GLN 803 N -0.61 1.58 -0.07 2.72 1.11 -0.51 -4.94 119.66 118.95 1sjx s GLN 803 Ca 0.01 -1.12 0.04 0.00 0.01 0.00 0.00 55.36 54.29 1sjx s GLN 803 Cb -0.05 -1.82 0.00 0.00 -1.01 0.00 0.00 33.01 30.13 1sjx s GLN 803 CO 0.00 0.46 -0.18 -0.51 0.01 0.00 0.00 175.29 175.07 1sjx s LEU 804 N -1.43 1.89 -0.15 2.90 1.02 -1.26 -1.03 118.68 120.62 1sjx s LEU 804 Ca 0.11 -0.41 -0.02 0.00 0.02 0.00 0.00 54.13 53.83 1sjx s LEU 804 Cb -0.10 -1.09 0.04 0.00 0.02 0.00 0.00 46.19 45.07 1sjx s LEU 804 CO 0.03 0.12 -0.00 -1.58 0.02 0.00 0.00 176.35 174.94 1sjx s GLN 805 N 0.34 0.87 0.36 1.70 2.00 -0.35 -4.35 119.66 120.23 1sjx s GLN 805 Ca -0.12 -0.29 -0.14 0.00 -2.00 0.00 0.00 55.36 52.81 1sjx s GLN 805 Cb -0.15 -1.73 -0.08 0.00 0.80 0.00 0.00 33.01 31.84 1sjx s GLN 805 CO 0.05 -0.48 0.77 -1.21 -0.50 0.00 0.00 175.29 173.92 1sjx s GLU 806 N 1.83 3.94 0.31 1.67 8.01 -1.26 -1.40 118.70 131.79 1sjx s GLU 806 Ca 0.01 0.64 -0.19 0.00 0.01 0.00 0.00 54.97 55.44 1sjx s GLU 806 Cb -0.15 -2.39 0.04 0.00 -4.31 0.00 0.00 34.13 27.31 1sjx s GLU 806 CO -0.07 0.07 0.76 -1.54 0.01 0.00 0.00 175.26 174.49 1sjx s SER 807 N -2.59 -0.16 0.00 -0.19 1.04 -0.18 -4.95 113.70 106.67 1sjx s SER 807 Ca 0.54 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1sjx s SER 807 Cb -0.10 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1sjx s SER 807 CO 0.22 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1sjx n GLY 808 N -0.49 0.58 3.54 7.32 0.00 -1.26 -1.09 105.19 113.79 1sjx n GLY 808 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1sjx n GLY 808 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sjx s GLY 809 N -1.24 1.54 0.00 -0.02 0.00 -1.26 -4.62 107.32 101.72 1sjx s GLY 809 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1sjx s GLY 809 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.79 1sjx n GLY 810 N -0.40 0.22 3.54 0.20 0.00 -0.11 -5.00 105.19 103.64 1sjx n GLY 810 Ca 0.11 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 1sjx n GLY 810 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sjx s LEU 811 N 0.00 3.41 0.00 0.99 2.96 -1.26 -0.60 118.68 124.18 1sjx s LEU 811 Ca 0.00 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1sjx s LEU 811 Cb 0.00 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1sjx s LEU 811 CO 0.00 0.18 0.02 0.54 -1.32 0.00 0.00 176.35 175.77 1sjx s VAL 812 N 0.32 0.05 0.38 1.68 0.11 -0.44 -4.99 120.40 117.50 1sjx s VAL 812 Ca -0.02 -0.41 -0.26 0.00 -2.93 0.00 0.00 61.98 58.36 1sjx s VAL 812 Cb -0.14 -0.17 -0.09 0.00 -1.53 0.00 0.00 36.38 34.46 1sjx s VAL 812 CO 0.02 -0.22 1.22 -1.10 -3.33 0.00 0.00 175.10 171.69 1sjx s GLN 813 N -0.67 4.15 0.21 1.54 -0.21 -1.26 -1.33 119.66 122.08 1sjx s GLN 813 Ca -0.07 1.98 -0.32 0.00 0.02 0.00 0.00 55.36 56.97 1sjx s GLN 813 Cb -0.05 -2.82 -0.15 0.00 1.00 0.00 0.00 33.01 30.99 1sjx s GLN 813 CO -0.00 -0.28 1.19 0.00 -2.12 0.00 0.00 175.29 174.08 1sjx n ALA 814 N 0.34 -0.27 0.00 6.09 0.00 -0.31 -0.84 120.51 125.52 1sjx n ALA 814 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1sjx n ALA 814 Cb 0.45 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1sjx n ALA 814 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjx n GLY 815 N 1.91 2.97 2.58 0.00 0.00 0.92 -4.95 105.19 108.62 1sjx n GLY 815 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1sjx n GLY 815 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjx n GLY 816 N -2.00 -1.75 3.34 -0.02 0.00 -0.02 -3.96 105.19 100.78 1sjx n GLY 816 Ca 0.00 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 1sjx n GLY 816 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sjx s SER 817 N -4.11 2.67 -0.22 1.61 0.01 -1.26 -1.70 113.70 110.71 1sjx s SER 817 Ca 0.51 -0.89 -0.19 0.00 1.31 0.00 0.00 55.95 56.69 1sjx s SER 817 Cb -0.02 -0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.11 1sjx s SER 817 CO 0.37 -0.05 0.58 -0.22 0.41 0.00 0.00 173.24 174.32 1sjx s LEU 818 N -2.77 -0.28 -0.24 2.44 0.20 0.24 -5.01 118.68 113.26 1sjx s LEU 818 Ca 0.17 1.18 -0.02 0.00 0.69 0.00 0.00 54.13 56.15 1sjx s LEU 818 Cb -0.05 1.98 0.02 0.00 -0.43 0.00 0.00 46.19 47.70 1sjx s LEU 818 CO 0.07 -0.20 -0.06 -0.60 -0.29 0.00 0.00 176.35 175.26 1sjx s ARG 819 N 0.53 2.98 0.18 1.98 3.52 -1.26 0.23 118.95 127.12 1sjx s ARG 819 Ca -0.02 -0.88 -0.11 0.00 -0.13 0.00 0.00 55.73 54.59 1sjx s ARG 819 Cb -0.04 -2.98 -0.07 0.00 -1.56 0.00 0.00 34.95 30.29 1sjx s ARG 819 CO -0.02 -0.34 0.53 -0.51 -0.81 0.00 0.00 175.30 174.14 1sjx s LEU 820 N 1.37 4.25 0.01 -0.88 1.43 -0.10 -4.63 118.68 120.12 1sjx s LEU 820 Ca 0.02 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.13 1sjx s LEU 820 Cb -0.16 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 1sjx s LEU 820 CO -0.04 0.02 -0.21 -0.44 0.23 0.00 0.00 176.35 175.91 1sjx s SER 821 N -2.09 2.44 -0.18 2.29 0.01 -0.25 -1.48 113.70 114.45 1sjx s SER 821 Ca 0.42 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 57.22 1sjx s SER 821 Cb -0.13 -0.24 0.05 0.00 0.21 0.00 0.00 66.02 65.92 1sjx s SER 821 CO 0.20 0.21 -0.01 0.00 0.41 0.00 0.00 173.24 174.05 1sjx s GLN 823 N 1.73 4.21 0.02 0.00 0.74 -0.49 -1.14 119.66 124.73 1sjx s GLN 823 Ca -0.01 0.05 -0.08 0.00 0.05 0.00 0.00 55.36 55.37 1sjx s GLN 823 Cb -0.16 -3.47 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 1sjx s GLN 823 CO -0.07 0.15 0.32 0.00 -0.55 0.00 0.00 175.29 175.14 1sjx s ALA 824 N 0.74 3.80 0.20 1.58 0.00 0.04 -1.21 121.76 126.91 1sjx s ALA 824 Ca 0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1sjx s ALA 824 Cb -0.13 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1sjx s ALA 824 CO 0.04 0.61 0.13 -1.54 0.00 0.00 0.00 175.76 175.00 1sjx s SER 825 N -1.62 0.19 0.19 0.00 1.04 -0.20 -4.84 113.70 108.46 1sjx s SER 825 Ca 0.28 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1sjx s SER 825 Cb -0.14 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1sjx s SER 825 CO 0.16 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1sjx n GLY 826 N -0.28 0.80 2.84 7.32 0.00 -1.26 -1.42 105.19 113.19 1sjx n GLY 826 Ca 0.02 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1sjx n GLY 826 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sjx n ASN 827 N 1.90 4.63 -0.33 1.61 3.02 -0.73 -4.80 115.26 120.56 1sjx n ASN 827 Ca 0.00 -3.00 0.19 0.00 -0.03 0.00 0.00 54.58 51.74 1sjx n ASN 827 Cb 0.00 -1.55 0.44 0.00 -0.61 0.00 0.00 39.78 38.06 1sjx n ASN 827 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1sjx h ILE 828 N 3.89 0.57 0.00 2.41 1.08 -1.88 -0.77 117.51 122.81 1sjx h ILE 828 Ca 0.46 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 1sjx h ILE 828 Cb 0.64 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1sjx h ILE 828 CO 1.71 0.09 0.00 2.19 -0.69 0.00 0.00 178.15 181.46 1sjx h PHE 829 N 0.51 0.00 0.00 1.37 -5.15 -2.00 -1.28 116.94 110.39 1sjx h PHE 829 Ca 0.60 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.37 1sjx h PHE 829 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.48 1sjx h PHE 829 CO -0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 178.31 176.15 1sjx h ARG 830 N 0.00 0.00 -6.58 6.09 3.08 -1.54 -3.47 114.38 111.96 1sjx h ARG 830 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1sjx h ARG 830 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1sjx h ARG 830 CO 0.00 0.00 0.56 0.42 -1.07 0.00 0.00 179.97 179.88 1sjx s ILE 831 N -3.18 3.77 0.00 2.04 1.01 -0.48 -0.77 121.20 123.59 1sjx s ILE 831 Ca 0.07 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1sjx s ILE 831 Cb 0.09 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1sjx s ILE 831 CO 0.66 0.17 0.00 -3.20 0.00 0.00 0.00 174.94 172.57 1sjx n ASN 832 N 3.19 0.00 -4.78 3.58 5.15 0.27 -4.76 115.26 117.91 1sjx n ASN 832 Ca 0.07 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.71 1sjx n ASN 832 Cb 0.45 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.73 1sjx n ASN 832 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1sjx s ASP 833 N -0.46 5.41 0.16 1.20 -0.00 -1.26 -4.29 116.67 117.44 1sjx s ASP 833 Ca 0.00 2.01 0.04 0.00 -0.00 0.00 0.00 52.55 54.60 1sjx s ASP 833 Cb 0.00 -2.56 -0.05 0.00 -0.00 0.00 0.00 42.92 40.32 1sjx s ASP 833 CO 0.00 -1.42 -0.08 -0.04 -0.00 0.00 0.00 175.17 173.63 1sjx s MET 834 N -3.87 1.11 0.24 8.23 -1.94 -0.21 -0.28 119.30 122.58 1sjx s MET 834 Ca 0.68 -1.50 -0.22 0.00 -1.71 0.00 0.00 55.69 52.94 1sjx s MET 834 Cb -0.20 -0.61 0.04 0.00 2.01 0.00 0.00 34.83 36.08 1sjx s MET 834 CO 0.36 0.04 0.84 0.20 -0.01 0.00 0.00 175.02 176.45 1sjx s GLY 835 N -3.19 -0.08 -0.10 -0.03 0.00 -0.65 -0.39 107.32 102.88 1sjx s GLY 835 Ca 0.19 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 44.75 1sjx s GLY 835 CO 0.02 0.10 -0.22 -0.98 0.00 0.00 0.00 173.10 172.02 1sjx s TRP 836 N -3.36 2.60 0.29 1.90 0.52 0.20 -0.68 118.94 120.40 1sjx s TRP 836 Ca 0.13 -0.92 0.10 0.00 0.02 0.00 0.00 56.10 55.43 1sjx s TRP 836 Cb -0.04 -1.72 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 1sjx s TRP 836 CO 0.06 -0.35 -0.08 0.71 0.02 0.00 0.00 176.95 177.31 1sjx s TYR 837 N 0.26 2.50 0.03 -1.98 1.51 0.22 -0.83 117.35 119.06 1sjx s TYR 837 Ca -0.15 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.57 1sjx s TYR 837 Cb -0.17 -1.19 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1sjx s TYR 837 CO 0.08 0.63 0.01 -0.98 -1.11 0.00 0.00 175.55 174.17 1sjx s ARG 838 N -3.62 0.48 -0.26 -0.62 1.70 -0.38 -0.19 118.95 116.06 1sjx s ARG 838 Ca 0.32 -0.84 -0.04 0.00 -0.47 0.00 0.00 55.73 54.70 1sjx s ARG 838 Cb -0.04 0.17 0.09 0.00 -0.57 0.00 0.00 34.95 34.60 1sjx s ARG 838 CO 0.18 -0.09 0.11 -1.14 -1.08 0.00 0.00 175.30 173.27 1sjx s GLN 839 N -2.54 0.27 0.66 3.89 0.74 0.17 -0.90 119.66 121.96 1sjx s GLN 839 Ca -0.06 -0.51 -0.13 0.00 0.05 0.00 0.00 55.36 54.72 1sjx s GLN 839 Cb -0.02 -1.48 -0.00 0.00 1.10 0.00 0.00 33.01 32.60 1sjx s GLN 839 CO -0.05 -0.92 1.07 0.00 -0.55 0.00 0.00 175.29 174.85 1sjx s ALA 840 N 2.02 2.62 -0.16 1.58 0.00 -1.26 -1.89 121.76 124.67 1sjx s ALA 840 Ca 0.07 0.28 -0.34 0.00 0.00 0.00 0.00 51.96 51.97 1sjx s ALA 840 Cb -0.16 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 1sjx s ALA 840 CO -0.27 -1.15 1.95 -2.30 0.00 0.00 0.00 175.76 173.98 1sjx n PRO 841 N -2.69 1.90 0.00 0.00 -0.02 -1.26 -1.60 135.00 131.33 1sjx n PRO 841 Ca 0.09 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1sjx n PRO 841 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1sjx n PRO 841 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjx n GLY 842 N 4.83 3.17 4.00 -1.23 0.00 -1.26 -5.05 105.19 109.65 1sjx n GLY 842 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 1sjx n GLY 842 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sjx s THR 843 N -2.37 2.68 0.50 2.61 2.01 -0.63 -5.10 115.64 115.35 1sjx s THR 843 Ca 0.00 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 1sjx s THR 843 Cb 0.00 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 1sjx s THR 843 CO 0.00 0.00 0.94 -1.58 -0.69 0.00 0.00 174.62 173.29 1sjx s GLN 844 N -4.62 3.85 0.14 4.92 2.00 -1.26 -4.59 119.66 120.10 1sjx s GLN 844 Ca 0.58 0.79 -0.31 0.00 -2.00 0.00 0.00 55.36 54.42 1sjx s GLN 844 Cb -0.09 -2.19 -0.09 0.00 0.80 0.00 0.00 33.01 31.43 1sjx s GLN 844 CO 0.37 -0.26 1.56 0.50 -0.50 0.00 0.00 175.29 176.96 1sjx s ARG 845 N -4.20 4.22 0.02 1.67 3.52 -1.26 -4.58 118.95 118.35 1sjx s ARG 845 Ca 0.56 2.32 0.05 0.00 -0.13 0.00 0.00 55.73 58.54 1sjx s ARG 845 Cb -0.10 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 1sjx s ARG 845 CO 0.35 -0.61 -0.16 -1.83 -0.81 0.00 0.00 175.30 172.23 1sjx s GLU 846 N 1.41 1.19 0.04 5.12 -1.05 -0.08 -4.95 118.70 120.38 1sjx s GLU 846 Ca 0.70 -0.73 -0.30 0.00 -0.15 0.00 0.00 54.97 54.49 1sjx s GLU 846 Cb -0.42 -1.21 -0.07 0.00 -0.44 0.00 0.00 34.13 31.99 1sjx s GLU 846 CO 0.31 0.31 1.51 -1.17 0.95 0.00 0.00 175.26 177.18 1sjx s LEU 847 N -0.84 4.34 -0.17 1.83 0.20 -1.26 -1.25 118.68 121.53 1sjx s LEU 847 Ca 0.05 2.29 0.02 0.00 0.69 0.00 0.00 54.13 57.19 1sjx s LEU 847 Cb -0.07 -3.56 -0.12 0.00 -0.43 0.00 0.00 46.19 42.00 1sjx s LEU 847 CO 0.01 -0.79 -0.13 0.52 -0.29 0.00 0.00 176.35 175.66 1sjx n VAL 848 N 4.66 0.99 -3.57 1.68 0.31 -0.01 -4.48 118.33 117.90 1sjx n VAL 848 Ca 0.14 -0.40 -0.16 0.00 -0.01 0.00 0.00 64.34 63.91 1sjx n VAL 848 Cb 0.42 -1.07 -0.07 0.00 -0.91 0.00 0.00 33.84 32.22 1sjx n VAL 848 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sjx s ALA 849 N -2.35 -1.66 0.03 3.52 0.00 -1.02 -1.72 121.76 118.56 1sjx s ALA 849 Ca -0.22 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 1sjx s ALA 849 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1sjx s ALA 849 CO 0.42 -0.35 0.01 0.00 0.00 0.00 0.00 175.76 175.84 1sjx s ALA 850 N -0.77 0.13 -0.05 0.00 0.00 -0.61 -0.63 121.76 119.84 1sjx s ALA 850 Ca -0.08 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 1sjx s ALA 850 Cb -0.02 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1sjx s ALA 850 CO 0.07 -0.25 0.13 -1.50 0.00 0.00 0.00 175.76 174.22 1sjx s ILE 851 N -2.27 0.00 0.46 0.00 2.07 0.48 -2.05 121.20 119.90 1sjx s ILE 851 Ca -0.08 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.15 1sjx s ILE 851 Cb -0.04 -0.20 0.01 0.00 0.13 0.00 0.00 42.46 42.36 1sjx s ILE 851 CO -0.04 -0.02 0.67 0.42 -1.91 0.00 0.00 174.94 174.06 1sjx s THR 852 N 0.00 3.47 0.41 4.00 -4.23 -0.56 -1.04 115.64 117.70 1sjx s THR 852 Ca -0.01 -0.67 0.12 0.00 -1.18 0.00 0.00 61.69 59.95 1sjx s THR 852 Cb -0.01 -3.27 0.33 0.00 1.34 0.00 0.00 72.50 70.89 1sjx s THR 852 CO 0.00 -0.17 1.96 0.77 -0.54 0.00 0.00 174.62 176.64 1sjx h SER 853 N 0.38 0.45 1.14 3.99 4.64 -1.92 -0.57 113.55 121.66 1sjx h SER 853 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1sjx h SER 853 Cb 1.27 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sjx h SER 853 CO 0.54 0.26 -0.04 0.61 -0.87 0.00 0.00 176.83 177.33 1sjx n GLY 854 N -1.50 -1.56 0.00 -0.77 0.00 -1.26 -4.94 105.19 95.16 1sjx n GLY 854 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1sjx n GLY 854 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sjx n GLY 855 N 1.43 1.12 3.73 -0.02 0.00 -0.22 -5.09 105.19 106.14 1sjx n GLY 855 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1sjx n GLY 855 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sjx s SER 856 N -1.99 7.12 0.24 1.61 0.01 -1.26 -4.78 113.70 114.64 1sjx s SER 856 Ca 0.00 2.17 0.08 0.00 1.31 0.00 0.00 55.95 59.51 1sjx s SER 856 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1sjx s SER 856 CO 0.00 -0.36 -0.12 0.42 0.41 0.00 0.00 173.24 173.58 1sjx s THR 857 N 0.09 1.83 0.05 1.44 -4.23 -1.26 -1.50 115.64 112.06 1sjx s THR 857 Ca 0.53 -2.21 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1sjx s THR 857 Cb -0.32 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.32 1sjx s THR 857 CO 0.35 -0.46 0.35 -1.59 -0.54 0.00 0.00 174.62 172.73 1sjx s LYS 858 N -3.65 0.86 0.01 3.99 -2.85 -0.87 -4.98 119.74 112.25 1sjx s LYS 858 Ca 0.26 -0.46 -0.02 0.00 -1.00 0.00 0.00 55.97 54.76 1sjx s LYS 858 Cb 0.00 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1sjx s LYS 858 CO 0.10 -0.29 0.02 0.71 0.10 0.00 0.00 175.35 175.99 1sjx s TYR 859 N -2.56 0.15 0.41 1.78 2.02 -1.26 -1.57 117.35 116.31 1sjx s TYR 859 Ca -0.05 -0.31 -0.25 0.00 -0.37 0.00 0.00 57.07 56.09 1sjx s TYR 859 Cb -0.01 -0.12 -0.08 0.00 -0.40 0.00 0.00 41.96 41.35 1sjx s TYR 859 CO -0.03 -0.17 1.18 0.00 -1.57 0.00 0.00 175.55 174.96 1sjx s ALA 860 N -1.09 3.14 0.45 3.71 0.00 -0.70 -4.86 121.76 122.42 1sjx s ALA 860 Ca -0.12 0.99 0.20 0.00 0.00 0.00 0.00 51.96 53.03 1sjx s ALA 860 Cb -0.07 -3.39 1.18 0.00 0.00 0.00 0.00 23.12 20.84 1sjx s ALA 860 CO -0.00 -0.57 1.89 -0.44 0.00 0.00 0.00 175.76 176.64 1sjx h ASP 861 N 2.58 0.29 0.58 0.00 3.32 -1.95 -1.10 116.42 120.15 1sjx h ASP 861 Ca -0.49 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 1sjx h ASP 861 Cb 1.24 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1sjx h ASP 861 CO 0.62 0.12 -0.09 0.77 -1.72 0.00 0.00 179.24 178.95 1sjx h SER 862 N 0.29 0.00 0.00 6.45 4.64 -1.97 -3.17 113.55 119.79 1sjx h SER 862 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1sjx h SER 862 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1sjx h SER 862 CO -0.12 0.09 -0.14 1.33 -0.87 0.00 0.00 176.83 177.13 1sjx n VAL 863 N -3.37 0.00 -1.75 0.95 0.24 -0.75 -5.00 118.33 108.64 1sjx n VAL 863 Ca -0.01 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 1sjx n VAL 863 Cb 0.27 0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 33.56 1sjx n VAL 863 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1sjx n LYS 864 N -1.07 2.68 0.00 7.34 4.81 -0.49 -0.97 118.16 130.46 1sjx n LYS 864 Ca 0.00 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1sjx n LYS 864 Cb 0.01 -2.72 0.00 0.00 0.02 0.00 0.00 35.03 32.34 1sjx n LYS 864 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sjx n GLY 865 N 1.75 3.07 0.07 3.14 0.00 -1.26 -4.78 105.19 107.17 1sjx n GLY 865 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1sjx n GLY 865 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjx n ARG 866 N -2.00 1.31 -4.47 1.61 1.74 -0.15 -5.01 116.66 109.70 1sjx n ARG 866 Ca 0.00 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 1sjx n ARG 866 Cb 0.00 -1.32 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1sjx n ARG 866 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1sjx s PHE 867 N -2.31 2.98 -0.08 -1.55 0.40 -0.53 -1.33 117.98 115.57 1sjx s PHE 867 Ca -0.13 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1sjx s PHE 867 Cb 0.04 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.91 1sjx s PHE 867 CO 0.45 0.39 -0.10 0.99 0.70 0.00 0.00 175.22 177.65 1sjx s THR 868 N -0.93 1.04 -0.06 0.64 2.01 -0.26 -4.82 115.64 113.25 1sjx s THR 868 Ca 0.15 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1sjx s THR 868 Cb -0.11 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1sjx s THR 868 CO 0.05 0.35 0.27 -0.51 -0.69 0.00 0.00 174.62 174.09 1sjx s ILE 869 N 1.05 5.28 0.33 1.82 2.07 -1.26 -0.25 121.20 130.23 1sjx s ILE 869 Ca -0.08 0.51 -0.11 0.00 -1.41 0.00 0.00 60.65 59.57 1sjx s ILE 869 Cb -0.15 -3.55 0.02 0.00 0.13 0.00 0.00 42.46 38.91 1sjx s ILE 869 CO -0.01 0.60 0.59 -0.94 -1.91 0.00 0.00 174.94 173.27 1sjx s SER 870 N -1.02 0.30 0.03 4.50 1.04 -0.99 -4.98 113.70 112.57 1sjx s SER 870 Ca 0.19 -1.17 -0.05 0.00 0.48 0.00 0.00 55.95 55.40 1sjx s SER 870 Cb -0.14 0.71 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1sjx s SER 870 CO 0.08 -1.38 0.08 -1.59 0.98 0.00 0.00 173.24 171.41 1sjx s LYS 871 N -3.14 0.52 -0.32 4.02 -2.85 -1.26 -0.38 119.74 116.34 1sjx s LYS 871 Ca 0.22 -0.67 0.02 0.00 -1.00 0.00 0.00 55.97 54.54 1sjx s LYS 871 Cb -0.02 0.21 0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1sjx s LYS 871 CO 0.14 -0.12 0.06 0.34 0.10 0.00 0.00 175.35 175.86 1sjx s ASP 872 N -1.89 4.40 0.20 0.03 3.68 0.50 -4.99 116.67 118.60 1sjx s ASP 872 Ca -0.08 -1.87 -0.11 0.00 2.13 0.00 0.00 52.55 52.62 1sjx s ASP 872 Cb -0.04 -1.29 0.18 0.00 -1.45 0.00 0.00 42.92 40.32 1sjx s ASP 872 CO -0.03 -0.38 1.80 0.78 0.13 0.00 0.00 175.17 177.47 1sjx h ASN 873 N 7.83 0.49 0.00 -0.34 -0.26 -1.97 -1.28 115.58 120.06 1sjx h ASN 873 Ca -0.09 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1sjx h ASN 873 Cb 1.02 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 38.21 1sjx h ASN 873 CO 0.49 0.33 -0.00 0.00 -1.06 0.00 0.00 177.43 177.19 1sjx h ALA 874 N 1.31 1.92 -0.04 -0.83 0.00 -1.96 -1.85 119.26 117.82 1sjx h ALA 874 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1sjx h ALA 874 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sjx h ALA 874 CO -0.16 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.72 1sjx n LYS 875 N -4.43 2.26 -3.21 0.00 5.02 -0.71 -4.97 118.16 112.12 1sjx n LYS 875 Ca -0.03 -1.91 -0.23 0.00 -2.02 0.00 0.00 58.31 54.13 1sjx n LYS 875 Cb 0.09 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 1sjx n LYS 875 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sjx n ASN 876 N 1.32 -4.66 -4.15 4.39 3.02 -0.56 -4.79 115.26 109.82 1sjx n ASN 876 Ca 0.14 -0.33 -0.21 0.00 -0.03 0.00 0.00 54.58 54.14 1sjx n ASN 876 Cb 0.59 -3.82 -0.14 0.00 -0.61 0.00 0.00 39.78 35.80 1sjx n ASN 876 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1sjx s THR 877 N -3.02 1.19 0.05 3.41 -1.32 -1.01 -0.78 115.64 114.16 1sjx s THR 877 Ca 0.35 -0.98 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 1sjx s THR 877 Cb -0.18 -1.06 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1sjx s THR 877 CO 0.44 0.07 -0.13 0.68 -2.21 0.00 0.00 174.62 173.46 1sjx s VAL 878 N -0.78 3.17 0.18 5.08 -7.23 -0.29 -0.37 120.40 120.15 1sjx s VAL 878 Ca 0.03 -1.12 0.11 0.00 -1.81 0.00 0.00 61.98 59.19 1sjx s VAL 878 Cb -0.08 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1sjx s VAL 878 CO 0.01 0.28 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.52 1sjx s TYR 879 N -1.03 2.29 -0.28 2.82 2.02 0.49 -0.88 117.35 122.78 1sjx s TYR 879 Ca 0.17 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 1sjx s TYR 879 Cb -0.11 -1.16 0.08 0.00 -0.40 0.00 0.00 41.96 40.37 1sjx s TYR 879 CO 0.08 0.47 -0.00 -1.17 -1.57 0.00 0.00 175.55 173.36 1sjx s LEU 880 N -2.56 3.27 -0.41 -1.29 2.96 -0.55 -2.35 118.68 117.76 1sjx s LEU 880 Ca 0.19 -1.58 -0.23 0.00 -0.22 0.00 0.00 54.13 52.29 1sjx s LEU 880 Cb -0.08 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.32 1sjx s LEU 880 CO 0.09 -0.30 0.80 -1.58 -1.32 0.00 0.00 176.35 174.04 1sjx s GLN 881 N 1.25 3.59 -0.39 1.98 2.00 0.65 -0.93 119.66 127.81 1sjx s GLN 881 Ca 0.02 0.13 -0.07 0.00 -2.00 0.00 0.00 55.36 53.44 1sjx s GLN 881 Cb -0.19 -3.87 0.07 0.00 0.80 0.00 0.00 33.01 29.82 1sjx s GLN 881 CO -0.10 -1.00 0.19 -1.64 -0.50 0.00 0.00 175.29 172.24 1sjx s MET 882 N 3.25 2.47 0.33 1.67 -1.94 0.14 -1.11 119.30 124.11 1sjx s MET 882 Ca 0.31 -1.46 0.07 0.00 -1.71 0.00 0.00 55.69 52.90 1sjx s MET 882 Cb -0.12 -3.62 -0.01 0.00 2.01 0.00 0.00 34.83 33.09 1sjx s MET 882 CO 0.20 -0.89 0.44 -0.80 -0.01 0.00 0.00 175.02 173.96 1sjx s ASN 883 N 1.84 5.87 -1.40 3.03 0.01 -0.44 -0.59 114.94 123.26 1sjx s ASN 883 Ca 0.02 -0.23 -0.13 0.00 -0.71 0.00 0.00 52.86 51.81 1sjx s ASN 883 Cb -0.22 -1.21 0.02 0.00 0.41 0.00 0.00 41.25 40.25 1sjx s ASN 883 CO 0.01 -0.41 0.33 -1.20 -1.51 0.00 0.00 177.10 174.31 1sjx n SER 884 N -1.59 -1.25 -4.76 -1.22 7.64 -1.11 -4.72 113.62 106.60 1sjx n SER 884 Ca -0.01 -1.24 -0.41 0.00 1.01 0.00 0.00 58.87 58.23 1sjx n SER 884 Cb 0.58 -1.91 -0.02 0.00 -1.01 0.00 0.00 64.21 61.85 1sjx n SER 884 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sjx s LEU 885 N -7.31 4.38 0.18 -3.43 2.01 -0.69 -4.69 118.68 109.13 1sjx s LEU 885 Ca 0.19 2.80 0.09 0.00 0.01 0.00 0.00 54.13 57.21 1sjx s LEU 885 Cb -0.10 -3.64 -0.04 0.00 0.01 0.00 0.00 46.19 42.41 1sjx s LEU 885 CO 0.97 -0.71 -0.07 -0.54 1.01 0.00 0.00 176.35 177.01 1sjx s LYS 886 N -1.29 2.15 0.49 1.70 1.02 -1.26 -0.05 119.74 122.50 1sjx s LYS 886 Ca 0.55 -1.24 0.32 0.00 0.02 0.00 0.00 55.97 55.61 1sjx s LYS 886 Cb -0.43 -2.20 1.42 0.00 -0.52 0.00 0.00 37.83 36.10 1sjx s LYS 886 CO 0.52 0.44 1.77 -1.35 -0.92 0.00 0.00 175.35 175.80 1sjx h PRO 887 N 2.83 0.12 0.00 -1.68 0.11 -1.87 0.21 132.00 131.71 1sjx h PRO 887 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sjx h PRO 887 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sjx h PRO 887 CO 0.55 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 1sjx n GLU 888 N -4.34 0.34 0.00 1.05 4.71 -1.26 -2.14 120.64 119.00 1sjx n GLU 888 Ca 0.27 0.07 0.14 0.00 -0.01 0.00 0.00 57.16 57.63 1sjx n GLU 888 Cb 1.19 -1.50 0.59 0.00 -1.01 0.00 0.00 31.44 30.72 1sjx n GLU 888 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1sjx n ASP 889 N -1.28 0.22 -4.67 1.62 8.00 0.73 -4.87 116.55 116.30 1sjx n ASP 889 Ca 0.11 -0.09 -0.44 0.00 0.71 0.00 0.00 54.79 55.07 1sjx n ASP 889 Cb 0.18 -0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.04 1sjx n ASP 889 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1sjx n THR 890 N -1.28 0.57 -3.61 -3.53 -1.04 -0.91 -4.91 114.28 99.57 1sjx n THR 890 Ca 0.11 -0.10 -0.01 0.00 -2.04 0.00 0.00 64.05 62.01 1sjx n THR 890 Cb 0.30 -2.08 -0.01 0.00 -1.82 0.00 0.00 70.33 66.71 1sjx n THR 890 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjx s ALA 891 N 3.71 -2.17 -0.18 2.41 0.00 -0.76 -4.48 121.76 120.29 1sjx s ALA 891 Ca 0.88 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 53.57 1sjx s ALA 891 Cb -0.54 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1sjx s ALA 891 CO 0.44 -0.90 0.79 0.08 0.00 0.00 0.00 175.76 176.16 1sjx s VAL 892 N -2.45 4.90 -0.15 0.00 1.01 -0.79 -1.32 120.40 121.60 1sjx s VAL 892 Ca 0.12 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 1sjx s VAL 892 Cb 0.03 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1sjx s VAL 892 CO -0.04 0.03 0.21 -0.31 0.00 0.00 0.00 175.10 175.00 1sjx s TYR 893 N 2.18 3.49 -0.08 5.22 1.51 0.37 -0.65 117.35 129.38 1sjx s TYR 893 Ca 0.36 0.52 0.05 0.00 -1.01 0.00 0.00 57.07 56.98 1sjx s TYR 893 Cb -0.16 -2.19 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 1sjx s TYR 893 CO 0.11 0.39 -0.24 0.71 -1.11 0.00 0.00 175.55 175.42 1sjx s TYR 894 N 0.01 2.52 0.25 2.71 1.51 0.73 0.06 117.35 125.14 1sjx s TYR 894 Ca 0.14 -0.87 -0.21 0.00 -1.01 0.00 0.00 57.07 55.12 1sjx s TYR 894 Cb -0.12 -1.67 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 1sjx s TYR 894 CO 0.03 -0.31 0.77 0.00 -1.11 0.00 0.00 175.55 174.93 1sjx s ALA 896 N -1.58 0.11 -0.01 0.00 0.00 0.14 -1.20 121.76 119.22 1sjx s ALA 896 Ca 0.45 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1sjx s ALA 896 Cb -0.16 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1sjx s ALA 896 CO 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 175.76 175.79 1sjx s ALA 897 N -1.66 0.10 0.09 0.00 0.00 -0.19 -1.64 121.76 118.46 1sjx s ALA 897 Ca -0.14 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1sjx s ALA 897 Cb -0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.87 1sjx s ALA 897 CO -0.02 -0.02 0.69 -2.00 0.00 0.00 0.00 175.76 174.42 1sjx s GLU 898 N 0.31 4.42 -0.04 0.00 2.12 0.61 -0.71 118.70 125.41 1sjx s GLU 898 Ca -0.03 0.97 -0.21 0.00 0.36 0.00 0.00 54.97 56.06 1sjx s GLU 898 Cb -0.04 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1sjx s GLU 898 CO -0.01 0.50 0.60 0.34 -0.54 0.00 0.00 175.26 176.15 1sjx s ASP 899 N -0.76 6.92 0.61 -1.70 -1.08 -1.26 -0.57 116.67 118.83 1sjx s ASP 899 Ca 0.34 1.10 0.37 0.00 -0.52 0.00 0.00 52.55 53.84 1sjx s ASP 899 Cb -0.21 -2.36 1.96 0.00 -1.46 0.00 0.00 42.92 40.85 1sjx s ASP 899 CO 0.22 0.03 2.23 0.08 0.52 0.00 0.00 175.17 178.26 1sjx h ARG 900 N 6.09 0.00 -0.02 4.34 0.11 -1.25 -0.85 114.38 122.80 1sjx h ARG 900 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1sjx h ARG 900 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1sjx h ARG 900 CO 0.72 0.03 0.00 0.72 0.10 0.00 0.00 179.97 181.53 1sjx n HIS 901 N -3.35 0.01 -3.01 4.08 8.25 -1.26 -4.29 115.22 115.65 1sjx n HIS 901 Ca -0.02 -0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 1sjx n HIS 901 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1sjx n HIS 901 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1sjx n ARG 902 N 0.22 0.70 -2.03 -0.41 1.74 -0.33 -5.15 116.66 111.41 1sjx n ARG 902 Ca 0.19 -2.56 -0.33 0.00 -0.77 0.00 0.00 57.85 54.37 1sjx n ARG 902 Cb 0.36 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1sjx n ARG 902 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1sjx s ILE 903 N -0.25 3.53 0.00 0.55 -4.36 -1.22 -3.80 121.20 115.65 1sjx s ILE 903 Ca 0.33 0.77 0.00 0.00 -0.26 0.00 0.00 60.65 61.50 1sjx s ILE 903 Cb 0.18 -3.28 0.00 0.00 1.25 0.00 0.00 42.46 40.60 1sjx s ILE 903 CO -0.17 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.24 1sjx n GLY 904 N -0.60 1.15 3.29 6.27 0.00 -1.26 -5.04 105.19 109.01 1sjx n GLY 904 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1sjx n GLY 904 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sjx s THR 905 N -2.48 1.33 -0.01 2.61 -4.23 -1.25 -5.12 115.64 106.49 1sjx s THR 905 Ca 0.00 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.10 1sjx s THR 905 Cb 0.00 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 1sjx s THR 905 CO 0.00 -0.63 1.38 -0.69 -0.54 0.00 0.00 174.62 174.14 1sjx s VAL 906 N -3.23 3.78 -0.10 2.29 1.01 -1.26 -4.38 120.40 118.51 1sjx s VAL 906 Ca 0.20 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.37 1sjx s VAL 906 Cb 0.02 -3.74 -0.24 0.00 0.00 0.00 0.00 36.38 32.42 1sjx s VAL 906 CO 0.04 -0.01 0.44 0.61 0.00 0.00 0.00 175.10 176.18 1sjx n GLY 907 N 3.62 -0.76 2.89 4.51 0.00 0.12 -4.92 105.19 110.64 1sjx n GLY 907 Ca 0.13 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1sjx n GLY 907 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sjx s TYR 908 N -2.57 0.14 0.05 1.61 1.51 -0.56 -4.95 117.35 112.58 1sjx s TYR 908 Ca -0.15 -0.02 0.09 0.00 -1.01 0.00 0.00 57.07 55.99 1sjx s TYR 908 Cb 0.07 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.79 1sjx s TYR 908 CO 0.79 -0.01 -0.26 -1.58 -1.11 0.00 0.00 175.55 173.37 1sjx s TRP 909 N 0.06 2.28 0.97 2.71 0.52 -1.26 -1.02 118.94 123.20 1sjx s TRP 909 Ca -0.00 -0.41 -0.16 0.00 0.02 0.00 0.00 56.10 55.55 1sjx s TRP 909 Cb -0.02 -1.36 0.20 0.00 -1.15 0.00 0.00 33.47 31.15 1sjx s TRP 909 CO -0.00 0.14 1.32 0.20 0.02 0.00 0.00 176.95 178.63 1sjx s GLY 910 N -1.31 1.78 0.08 0.98 0.00 -0.34 -4.52 107.32 103.99 1sjx s GLY 910 Ca 0.12 -1.20 0.26 0.00 0.00 0.00 0.00 44.72 43.89 1sjx s GLY 910 CO 0.02 -0.42 1.54 0.61 0.00 0.00 0.00 173.10 174.85 1sjx n GLN 911 N -3.81 0.16 0.00 2.90 0.00 -1.26 -4.77 117.38 110.59 1sjx n GLN 911 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 57.00 57.22 1sjx n GLN 911 Cb 0.59 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1sjx n GLN 911 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sjx n GLY 912 N 1.41 1.79 2.92 2.61 0.00 -1.26 -5.04 105.19 107.62 1sjx n GLY 912 Ca 0.05 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.23 1sjx n GLY 912 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sjx s THR 913 N -1.81 0.53 -0.04 2.61 -1.32 0.11 -4.91 115.64 110.81 1sjx s THR 913 Ca 0.00 -0.17 -0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1sjx s THR 913 Cb 0.00 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1sjx s THR 913 CO 0.00 0.20 1.05 -1.58 -2.21 0.00 0.00 174.62 172.09 1sjx s GLN 914 N 0.58 4.46 -0.20 7.08 2.00 -1.26 -0.48 119.66 131.84 1sjx s GLN 914 Ca -0.08 1.50 0.00 0.00 -2.00 0.00 0.00 55.36 54.78 1sjx s GLN 914 Cb -0.11 -3.49 0.02 0.00 0.80 0.00 0.00 33.01 30.23 1sjx s GLN 914 CO 0.00 -0.24 -0.16 0.08 -0.50 0.00 0.00 175.29 174.47 1sjx s VAL 915 N 1.58 2.30 -0.19 1.34 1.01 -0.44 -0.93 120.40 125.06 1sjx s VAL 915 Ca 0.52 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1sjx s VAL 915 Cb -0.22 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1sjx s VAL 915 CO 0.24 0.46 -0.11 -0.89 0.00 0.00 0.00 175.10 174.79 1sjx s THR 916 N 1.31 2.82 -0.28 3.92 2.01 0.23 -1.82 115.64 123.82 1sjx s THR 916 Ca 0.04 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 1sjx s THR 916 Cb -0.14 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 1sjx s THR 916 CO -0.11 0.48 0.09 -0.69 -0.69 0.00 0.00 174.62 173.70 1sjx s VAL 917 N 1.28 4.23 0.37 3.82 1.01 -1.26 -1.33 120.40 128.52 1sjx s VAL 917 Ca 0.03 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1sjx s VAL 917 Cb -0.14 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 1sjx s VAL 917 CO -0.06 0.19 0.68 -0.94 0.00 0.00 0.00 175.10 174.98 1sjx s SER 918 N 1.57 6.46 0.00 3.32 1.04 -0.44 -4.49 113.70 121.15 1sjx s SER 918 Ca 0.05 0.93 0.23 0.00 0.48 0.00 0.00 55.95 57.63 1sjx s SER 918 Cb -0.16 -2.24 0.18 0.00 0.10 0.00 0.00 66.02 63.90 1sjx s SER 918 CO 0.04 -0.34 1.22 -1.20 0.98 0.00 0.00 173.24 173.94