#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkk s PHE 804 N 0.00 3.06 -0.04 7.33 5.36 -1.26 -5.05 117.98 127.37 1gkk s PHE 804 Ca 0.00 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1gkk s PHE 804 Cb 0.00 -3.75 0.02 0.00 -0.34 0.00 0.00 43.02 38.95 1gkk s PHE 804 CO 0.00 -2.36 -0.03 0.15 -1.46 0.00 0.00 175.22 171.52 1gkk s LYS 805 N -0.64 0.65 0.32 10.12 -0.14 -1.26 -4.46 119.74 124.33 1gkk s LYS 805 Ca 0.57 -0.03 -0.29 0.00 -1.36 0.00 0.00 55.97 54.86 1gkk s LYS 805 Cb -0.40 -0.75 -0.12 0.00 -1.68 0.00 0.00 37.83 34.88 1gkk s LYS 805 CO 0.45 -0.12 1.53 0.66 -0.76 0.00 0.00 175.35 177.10 1gkk n TYR 806 N 4.22 2.82 -4.15 3.18 4.01 -1.26 -5.03 117.16 120.94 1gkk n TYR 806 Ca -0.23 0.34 -0.28 0.00 -0.16 0.00 0.00 57.90 57.57 1gkk n TYR 806 Cb 0.51 -2.56 -0.08 0.00 -0.31 0.00 0.00 39.34 36.90 1gkk n TYR 806 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1gkk s GLU 807 N -1.07 2.53 0.36 -0.72 2.02 -1.26 -4.97 118.70 115.59 1gkk s GLU 807 Ca 0.60 -0.95 0.21 0.00 0.02 0.00 0.00 54.97 54.85 1gkk s GLU 807 Cb -0.50 -2.48 0.22 0.00 0.10 0.00 0.00 34.13 31.47 1gkk s GLU 807 CO 0.54 0.50 1.49 0.66 0.02 0.00 0.00 175.26 178.47 1gkk h SER 808 N 2.99 0.00 -1.82 -0.19 4.64 -1.96 -2.80 113.55 114.41 1gkk h SER 808 Ca -0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.35 1gkk h SER 808 Cb 1.18 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.90 1gkk h SER 808 CO 0.59 0.15 -1.09 0.00 -0.87 0.00 0.00 176.83 175.61 1gkk n ALA 809 N -2.15 1.93 -1.74 5.18 0.00 -1.26 -1.54 120.51 120.93 1gkk n ALA 809 Ca 0.03 -3.22 -0.42 0.00 0.00 0.00 0.00 53.44 49.82 1gkk n ALA 809 Cb 0.59 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 1gkk n ALA 809 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1gkk n VAL 810 N 0.90 1.92 -4.12 0.00 3.14 -1.26 -4.99 118.33 113.93 1gkk n VAL 810 Ca 0.21 -0.48 -0.25 0.00 -2.96 0.00 0.00 64.34 60.87 1gkk n VAL 810 Cb 0.60 -1.79 -0.05 0.00 -1.06 0.00 0.00 33.84 31.53 1gkk n VAL 810 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1gkk s GLN 811 N -1.89 2.82 0.29 1.45 -1.52 -1.26 -4.95 119.66 114.60 1gkk s GLN 811 Ca 0.55 -0.97 -0.30 0.00 -1.95 0.00 0.00 55.36 52.68 1gkk s GLN 811 Cb -0.52 -2.57 -0.12 0.00 -0.22 0.00 0.00 33.01 29.59 1gkk s GLN 811 CO 0.62 0.45 1.62 0.98 -0.25 0.00 0.00 175.29 178.72 1gkk n TYR 812 N -0.58 2.89 -3.66 0.91 9.36 -1.26 -5.00 117.16 119.81 1gkk n TYR 812 Ca -0.08 0.22 -0.09 0.00 3.32 0.00 0.00 57.90 61.27 1gkk n TYR 812 Cb 0.56 -2.61 -0.10 0.00 -0.63 0.00 0.00 39.34 36.56 1gkk n TYR 812 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1gkk s ARG 813 N -0.34 0.32 0.62 2.98 3.52 -1.26 -5.04 118.95 119.74 1gkk s ARG 813 Ca 0.65 1.02 -0.16 0.00 -0.13 0.00 0.00 55.73 57.11 1gkk s ARG 813 Cb -0.49 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 1gkk s ARG 813 CO 0.47 -0.25 1.08 -1.25 -0.81 0.00 0.00 175.30 174.54 1gkk s PRO 814 N 2.56 3.11 0.61 5.12 0.04 -1.26 -4.70 135.00 140.48 1gkk s PRO 814 Ca -0.02 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 1gkk s PRO 814 Cb -0.12 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1gkk s PRO 814 CO -0.13 -0.99 1.24 0.00 0.04 0.00 0.00 177.00 177.17 1gkk s ALA 815 N -2.39 2.50 0.62 8.56 0.00 -1.26 -4.96 121.76 124.83 1gkk s ALA 815 Ca 0.65 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 53.53 1gkk s ALA 815 Cb -0.18 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 1gkk s ALA 815 CO 0.39 -1.32 0.80 -2.30 0.00 0.00 0.00 175.76 173.33 1gkk n PRO 816 N -1.67 0.69 -0.13 0.00 -0.02 -1.26 -4.85 135.00 127.76 1gkk n PRO 816 Ca 0.14 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1gkk n PRO 816 Cb 0.49 -2.01 0.48 0.00 -0.02 0.00 0.00 33.50 32.44 1gkk n PRO 816 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1gkk h ASP 817 N 0.25 0.42 0.45 2.55 3.32 -2.03 0.87 116.42 122.25 1gkk h ASP 817 Ca -0.47 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1gkk h ASP 817 Cb 1.37 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 1gkk h ASP 817 CO 0.49 0.24 -0.02 0.77 -1.72 0.00 0.00 179.24 178.99 1gkk h SER 818 N 0.46 0.00 0.65 6.45 4.64 -1.97 -2.15 113.55 121.63 1gkk h SER 818 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1gkk h SER 818 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1gkk h SER 818 CO -0.10 0.02 0.00 -1.22 -0.87 0.00 0.00 176.83 174.66 1gkk n TYR 819 N -3.19 0.24 0.84 4.77 4.02 0.30 -2.36 117.16 121.78 1gkk n TYR 819 Ca -0.01 0.09 0.13 0.00 -0.01 0.00 0.00 57.90 58.10 1gkk n TYR 819 Cb 0.19 -0.65 0.42 0.00 -0.02 0.00 0.00 39.34 39.28 1gkk n TYR 819 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1gkk n LEU 820 N -1.72 0.42 -4.93 7.72 4.77 -0.81 -2.75 117.00 119.71 1gkk n LEU 820 Ca 0.04 0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 56.13 1gkk n LEU 820 Cb 0.21 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1gkk n LEU 820 CO 0.17 -0.03 0.08 0.20 -1.33 0.00 0.00 177.39 176.48 1gkk s ASN 821 N -3.59 6.38 0.28 -1.43 0.01 -0.99 -4.91 114.94 110.68 1gkk s ASN 821 Ca 0.11 0.44 -0.30 0.00 -0.71 0.00 0.00 52.86 52.41 1gkk s ASN 821 Cb 0.16 -2.03 -0.13 0.00 0.41 0.00 0.00 41.25 39.66 1gkk s ASN 821 CO 0.61 -0.12 1.33 -2.65 -1.51 0.00 0.00 177.10 174.76 1gkk n PRO 822 N -0.95 1.99 -3.87 -0.60 -0.02 -1.26 -4.86 135.00 125.44 1gkk n PRO 822 Ca -0.04 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.78 1gkk n PRO 822 Cb 0.54 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 1gkk n PRO 822 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkk h PRO 824 N 4.59 0.00 -3.25 0.00 0.13 -1.98 -3.24 132.00 128.26 1gkk h PRO 824 Ca -0.53 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.83 1gkk h PRO 824 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1gkk h PRO 824 CO 0.62 0.10 1.63 1.04 -0.23 0.00 0.00 178.00 181.16 1gkk n GLN 825 N -3.35 3.98 -3.25 0.86 6.02 -1.26 -4.99 117.38 115.38 1gkk n GLN 825 Ca -0.01 -3.87 -0.38 0.00 -0.01 0.00 0.00 57.00 52.72 1gkk n GLN 825 Cb 0.29 -2.77 -0.06 0.00 1.02 0.00 0.00 30.24 28.72 1gkk n GLN 825 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gkk s ALA 826 N -0.80 3.49 0.53 -1.58 0.00 -1.22 -4.65 121.76 117.53 1gkk s ALA 826 Ca 0.37 -0.05 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 1gkk s ALA 826 Cb 0.09 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1gkk s ALA 826 CO 0.03 0.13 1.12 0.20 0.00 0.00 0.00 175.76 177.24 1gkk s GLY 827 N 0.04 2.64 0.09 0.00 0.00 -1.26 -4.55 107.32 104.28 1gkk s GLY 827 Ca 0.29 0.81 -0.27 0.00 0.00 0.00 0.00 44.72 45.56 1gkk s GLY 827 CO 0.15 1.18 0.83 -1.60 0.00 0.00 0.00 173.10 173.65 1gkk s ARG 828 N -3.22 4.58 -0.18 2.90 3.52 -0.75 -4.83 118.95 120.97 1gkk s ARG 828 Ca 0.71 1.21 -0.02 0.00 -0.13 0.00 0.00 55.73 57.51 1gkk s ARG 828 Cb -0.24 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1gkk s ARG 828 CO 0.27 0.32 -0.10 0.42 -0.81 0.00 0.00 175.30 175.40 1gkk s ILE 829 N -0.27 3.03 -0.16 4.11 1.01 -1.26 -0.13 121.20 127.52 1gkk s ILE 829 Ca 0.41 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1gkk s ILE 829 Cb -0.22 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 1gkk s ILE 829 CO 0.26 0.48 -0.12 -0.69 0.00 0.00 0.00 174.94 174.86 1gkk s VAL 830 N 1.09 2.93 -0.16 2.92 1.01 0.40 -4.92 120.40 123.66 1gkk s VAL 830 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 1gkk s VAL 830 Cb -0.15 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1gkk s VAL 830 CO -0.02 0.50 0.81 -0.75 0.00 0.00 0.00 175.10 175.64 1gkk s LYS 831 N 0.81 4.30 0.10 2.72 2.47 -1.26 -0.74 119.74 128.14 1gkk s LYS 831 Ca -0.04 0.98 0.09 0.00 -1.56 0.00 0.00 55.97 55.44 1gkk s LYS 831 Cb -0.15 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 1gkk s LYS 831 CO 0.01 -0.30 -0.23 -1.21 0.16 0.00 0.00 175.35 173.78 1gkk s GLU 832 N 2.05 1.27 -0.03 4.03 0.41 -0.18 -5.00 118.70 121.24 1gkk s GLU 832 Ca 0.38 -1.20 0.04 0.00 -0.41 0.00 0.00 54.97 53.77 1gkk s GLU 832 Cb -0.17 -1.59 -0.00 0.00 -1.78 0.00 0.00 34.13 30.59 1gkk s GLU 832 CO 0.13 0.38 -0.14 0.99 -0.49 0.00 0.00 175.26 176.12 1gkk s THR 833 N -1.08 1.19 0.13 3.63 2.01 -1.26 -1.10 115.64 119.15 1gkk s THR 833 Ca 0.09 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 1gkk s THR 833 Cb -0.10 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1gkk s THR 833 CO 0.05 0.35 0.17 -0.72 -0.69 0.00 0.00 174.62 173.77 1gkk s TYR 834 N 0.06 0.50 -0.13 4.92 1.13 -0.43 -5.00 117.35 118.40 1gkk s TYR 834 Ca -0.03 -0.90 0.01 0.00 -1.41 0.00 0.00 57.07 54.74 1gkk s TYR 834 Cb -0.10 -0.21 -0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1gkk s TYR 834 CO 0.01 -0.60 -0.17 0.99 -2.51 0.00 0.00 175.55 173.27 1gkk s THR 835 N -3.97 2.58 0.00 -3.49 2.01 -1.26 -1.22 115.64 110.29 1gkk s THR 835 Ca 0.16 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1gkk s THR 835 Cb 0.05 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1gkk s THR 835 CO -0.02 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 1gkk n GLY 836 N 3.79 5.61 0.21 4.40 0.00 -0.68 -4.97 105.19 113.55 1gkk n GLY 836 Ca -0.19 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.49 1gkk n GLY 836 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1gkk h ILE 837 N 0.00 0.00 -0.41 -0.61 3.07 -1.97 -1.27 117.51 116.32 1gkk h ILE 837 Ca 0.00 -0.23 -0.07 0.00 1.55 0.00 0.00 64.86 66.11 1gkk h ILE 837 Cb 0.00 1.02 -0.04 0.00 -0.27 0.00 0.00 36.82 37.53 1gkk h ILE 837 CO 0.00 0.00 0.05 0.59 -1.05 0.00 0.00 178.15 177.74 1gkk n ASN 838 N -2.61 4.06 0.00 2.16 3.02 -1.26 -4.85 115.26 115.77 1gkk n ASN 838 Ca 0.00 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 1gkk n ASN 838 Cb 0.19 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1gkk n ASN 838 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkk n GLY 839 N -0.42 -1.77 3.68 7.41 0.00 -0.48 -3.51 105.19 110.10 1gkk n GLY 839 Ca 0.28 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1gkk n GLY 839 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkk s THR 840 N 0.00 4.84 0.20 2.61 2.01 -1.26 -1.68 115.64 122.36 1gkk s THR 840 Ca 0.00 1.82 -0.02 0.00 0.31 0.00 0.00 61.69 63.81 1gkk s THR 840 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1gkk s THR 840 CO 0.00 0.03 0.15 -0.54 -0.69 0.00 0.00 174.62 173.57 1gkk s LYS 841 N 1.99 1.20 0.31 4.92 1.02 -0.36 -4.98 119.74 123.84 1gkk s LYS 841 Ca 0.43 -1.59 0.05 0.00 0.02 0.00 0.00 55.97 54.88 1gkk s LYS 841 Cb -0.17 0.28 -0.06 0.00 -0.52 0.00 0.00 37.83 37.35 1gkk s LYS 841 CO 0.15 -0.40 0.01 -1.12 -0.92 0.00 0.00 175.35 173.08 1gkk s SER 842 N -3.14 2.58 0.23 2.83 0.01 -1.26 -1.32 113.70 113.63 1gkk s SER 842 Ca 0.37 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.16 1gkk s SER 842 Cb 0.07 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1gkk s SER 842 CO 0.11 -0.49 0.55 -1.48 0.41 0.00 0.00 173.24 172.33 1gkk s LEU 843 N -3.47 0.08 -0.03 2.44 0.05 -0.26 -4.29 118.68 113.19 1gkk s LEU 843 Ca 0.33 -0.63 0.04 0.00 0.05 0.00 0.00 54.13 53.92 1gkk s LEU 843 Cb 0.07 2.15 -0.03 0.00 -2.05 0.00 0.00 46.19 46.33 1gkk s LEU 843 CO 0.14 -1.13 -0.13 0.20 -0.55 0.00 0.00 176.35 174.88 1gkk s ASN 844 N -2.92 4.15 -0.23 1.48 0.01 -0.73 -1.01 114.94 115.68 1gkk s ASN 844 Ca 0.13 -0.20 -0.01 0.00 -0.71 0.00 0.00 52.86 52.08 1gkk s ASN 844 Cb -0.02 -0.88 0.02 0.00 0.41 0.00 0.00 41.25 40.78 1gkk s ASN 844 CO 0.02 0.33 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.15 1gkk s VAL 845 N -0.80 2.64 -0.25 1.60 1.01 0.08 -0.78 120.40 123.90 1gkk s VAL 845 Ca 0.13 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1gkk s VAL 845 Cb -0.11 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1gkk s VAL 845 CO 0.02 0.29 0.57 -0.47 0.00 0.00 0.00 175.10 175.51 1gkk s TYR 846 N 1.31 3.29 -0.11 5.22 6.14 0.57 -0.46 117.35 133.31 1gkk s TYR 846 Ca 0.01 0.74 -0.04 0.00 0.64 0.00 0.00 57.07 58.42 1gkk s TYR 846 Cb -0.16 -2.77 -0.04 0.00 0.42 0.00 0.00 41.96 39.42 1gkk s TYR 846 CO -0.07 -0.28 0.04 -0.51 0.64 0.00 0.00 175.55 175.38 1gkk s LEU 847 N 2.31 3.79 0.73 6.97 1.43 0.81 -1.68 118.68 133.04 1gkk s LEU 847 Ca 0.24 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.41 1gkk s LEU 847 Cb -0.16 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1gkk s LEU 847 CO 0.09 0.35 1.12 -2.16 0.23 0.00 0.00 176.35 175.98 1gkk s PRO 848 N -0.67 2.33 0.31 1.29 0.04 -1.25 -1.81 135.00 135.23 1gkk s PRO 848 Ca 0.11 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1gkk s PRO 848 Cb -0.12 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1gkk s PRO 848 CO 0.02 -1.62 1.43 -0.47 0.04 0.00 0.00 177.00 176.41 1gkk s TYR 849 N -2.49 2.90 0.00 0.56 5.04 -1.26 -1.32 117.35 120.78 1gkk s TYR 849 Ca 0.66 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 56.43 1gkk s TYR 849 Cb -0.21 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.24 1gkk s TYR 849 CO 0.48 -2.63 0.00 0.41 -1.34 0.00 0.00 175.55 172.47 1gkk n GLY 850 N 1.43 0.73 3.62 8.97 0.00 -1.26 -4.99 105.19 113.69 1gkk n GLY 850 Ca 0.04 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.50 1gkk n GLY 850 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gkk n TYR 851 N -2.43 1.55 -3.90 1.61 9.36 -0.43 -4.95 117.16 117.98 1gkk n TYR 851 Ca 0.00 0.71 -0.29 0.00 3.32 0.00 0.00 57.90 61.64 1gkk n TYR 851 Cb 0.00 -2.32 -0.16 0.00 -0.63 0.00 0.00 39.34 36.22 1gkk n TYR 851 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1gkk s ASP 852 N 1.41 3.15 0.17 2.98 -1.08 -1.26 -5.02 116.67 117.03 1gkk s ASP 852 Ca 0.91 -0.83 0.11 0.00 -0.52 0.00 0.00 52.55 52.21 1gkk s ASP 852 Cb -1.07 -0.98 0.58 0.00 -1.46 0.00 0.00 42.92 40.00 1gkk s ASP 852 CO 0.56 -0.21 1.30 -2.65 0.52 0.00 0.00 175.17 174.69 1gkk n PRO 853 N 4.82 0.07 0.05 4.34 -0.02 -1.26 -1.03 135.00 141.98 1gkk n PRO 853 Ca -0.12 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1gkk n PRO 853 Cb 0.47 -1.78 0.48 0.00 -0.02 0.00 0.00 33.50 32.65 1gkk n PRO 853 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1gkk n ASN 854 N -1.87 0.44 -4.92 2.55 3.02 -1.26 -4.85 115.26 108.38 1gkk n ASN 854 Ca -0.01 0.49 -0.20 0.00 -0.03 0.00 0.00 54.58 54.83 1gkk n ASN 854 Cb 0.06 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 1gkk n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gkk s LYS 855 N -3.06 3.01 -0.11 3.52 1.02 -0.19 -5.11 119.74 118.81 1gkk s LYS 855 Ca 0.12 -1.08 -0.01 0.00 0.02 0.00 0.00 55.97 55.02 1gkk s LYS 855 Cb 0.16 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1gkk s LYS 855 CO 0.58 0.18 -0.05 0.15 -0.92 0.00 0.00 175.35 175.28 1gkk s LYS 856 N -4.03 3.20 0.01 1.68 1.02 -1.26 -4.75 119.74 115.60 1gkk s LYS 856 Ca 0.40 -0.53 0.08 0.00 0.02 0.00 0.00 55.97 55.94 1gkk s LYS 856 Cb -0.08 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1gkk s LYS 856 CO 0.28 0.46 -0.25 0.71 -0.92 0.00 0.00 175.35 175.64 1gkk s TYR 857 N -0.26 2.36 0.66 3.18 2.02 -0.53 -4.89 117.35 119.90 1gkk s TYR 857 Ca 0.04 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 1gkk s TYR 857 Cb -0.13 -1.46 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 1gkk s TYR 857 CO 0.02 0.07 1.18 -0.80 -1.57 0.00 0.00 175.55 174.45 1gkk s ASN 858 N -0.96 4.80 -0.03 2.29 0.01 -1.26 -3.69 114.94 116.10 1gkk s ASN 858 Ca 0.11 2.25 0.01 0.00 -0.71 0.00 0.00 52.86 54.53 1gkk s ASN 858 Cb -0.10 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.99 1gkk s ASN 858 CO 0.01 -1.85 -0.05 -0.51 -1.51 0.00 0.00 177.10 173.19 1gkk s ILE 859 N -1.97 0.54 -0.14 0.60 2.07 -0.77 -1.05 121.20 120.47 1gkk s ILE 859 Ca 0.73 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.79 1gkk s ILE 859 Cb -0.27 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 41.82 1gkk s ILE 859 CO 0.40 0.20 -0.11 0.12 -1.91 0.00 0.00 174.94 173.64 1gkk s PHE 860 N 0.56 1.91 -0.17 3.50 5.36 -0.22 -1.03 117.98 127.89 1gkk s PHE 860 Ca -0.07 -1.08 -0.14 0.00 -0.96 0.00 0.00 56.93 54.67 1gkk s PHE 860 Cb -0.11 -1.45 -0.04 0.00 -0.34 0.00 0.00 43.02 41.08 1gkk s PHE 860 CO 0.00 -0.62 0.32 0.71 -1.46 0.00 0.00 175.22 174.17 1gkk s TYR 861 N 1.57 3.44 0.40 10.12 1.51 -0.33 -0.77 117.35 133.28 1gkk s TYR 861 Ca 0.04 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.73 1gkk s TYR 861 Cb -0.13 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.30 1gkk s TYR 861 CO -0.09 0.18 0.10 -1.17 -1.11 0.00 0.00 175.55 173.45 1gkk s LEU 862 N 0.66 2.07 0.36 -1.29 2.96 0.42 -0.75 118.68 123.11 1gkk s LEU 862 Ca 0.17 -1.59 0.03 0.00 -0.22 0.00 0.00 54.13 52.52 1gkk s LEU 862 Cb -0.13 -0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 1gkk s LEU 862 CO 0.05 -0.84 0.11 -1.38 -1.32 0.00 0.00 176.35 172.97 1gkk s HIS 864 N -3.20 1.79 0.31 5.38 -3.43 -1.26 -3.93 115.29 110.96 1gkk s HIS 864 Ca 0.25 -1.20 0.05 0.00 -0.80 0.00 0.00 55.06 53.36 1gkk s HIS 864 Cb 0.04 -1.14 0.05 0.00 -1.43 0.00 0.00 32.58 30.11 1gkk s HIS 864 CO 0.14 -0.24 0.43 0.41 -2.00 0.00 0.00 174.74 173.48 1gkk n GLY 865 N -0.78 1.83 3.72 -1.38 0.00 -1.22 -2.35 105.19 105.02 1gkk n GLY 865 Ca -0.04 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 1gkk n GLY 865 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkk n GLY 866 N 1.23 0.95 3.16 -0.02 0.00 -1.26 -2.04 105.19 107.21 1gkk n GLY 866 Ca 0.09 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1gkk n GLY 866 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkk n GLY 867 N 1.46 0.59 0.54 -0.02 0.00 -1.26 -5.00 105.19 101.49 1gkk n GLY 867 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1gkk n GLY 867 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gkk n GLU 868 N -1.93 0.83 -3.11 1.61 1.02 -0.87 -5.15 120.64 113.04 1gkk n GLU 868 Ca 0.00 -0.41 -0.08 0.00 -0.02 0.00 0.00 57.16 56.64 1gkk n GLU 868 Cb 0.03 -0.05 -0.00 0.00 -0.02 0.00 0.00 31.44 31.40 1gkk n GLU 868 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1gkk n ASN 869 N -2.93 -1.27 0.11 1.62 0.23 -1.26 -4.91 115.26 106.85 1gkk n ASN 869 Ca 0.02 -2.23 0.10 0.00 -0.53 0.00 0.00 54.58 51.93 1gkk n ASN 869 Cb 0.08 2.22 0.44 0.00 -2.08 0.00 0.00 39.78 40.44 1gkk n ASN 869 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1gkk n GLU 870 N -0.39 0.13 0.00 -3.83 0.00 -1.26 -1.91 120.64 113.38 1gkk n GLU 870 Ca -0.03 0.48 0.10 0.00 0.00 0.00 0.00 57.16 57.72 1gkk n GLU 870 Cb 0.42 -1.81 -0.08 0.00 0.00 0.00 0.00 31.44 29.97 1gkk n GLU 870 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1gkk n ASN 871 N -2.06 0.97 -0.05 -1.84 3.02 -1.26 -4.37 115.26 109.66 1gkk n ASN 871 Ca 0.01 -0.93 -0.11 0.00 -0.03 0.00 0.00 54.58 53.52 1gkk n ASN 871 Cb 0.13 0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 40.17 1gkk n ASN 871 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1gkk h THR 872 N 0.05 1.13 0.00 3.41 2.02 -1.79 -2.23 112.91 115.50 1gkk h THR 872 Ca 0.00 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 1gkk h THR 872 Cb 0.51 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1gkk h THR 872 CO 0.00 0.12 -0.27 0.40 0.37 0.00 0.00 175.52 176.14 1gkk h ILE 873 N 0.18 1.14 -0.46 3.11 2.04 -1.83 -1.45 117.51 120.24 1gkk h ILE 873 Ca 0.06 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1gkk h ILE 873 Cb 0.12 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1gkk h ILE 873 CO -0.01 0.27 0.00 0.49 0.00 0.00 0.00 178.15 178.90 1gkk n PHE 874 N -4.14 0.60 -1.85 1.37 3.72 -1.19 -2.39 117.46 113.59 1gkk n PHE 874 Ca -0.02 -0.30 -0.29 0.00 -0.05 0.00 0.00 57.45 56.79 1gkk n PHE 874 Cb 0.33 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.98 1gkk n PHE 874 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1gkk s SER 875 N -1.36 4.02 0.40 4.37 1.04 -0.55 -4.66 113.70 116.96 1gkk s SER 875 Ca 0.41 0.69 0.28 0.00 0.48 0.00 0.00 55.95 57.81 1gkk s SER 875 Cb 0.23 -1.09 1.39 0.00 0.10 0.00 0.00 66.02 66.64 1gkk s SER 875 CO 0.31 -2.20 1.85 0.78 0.98 0.00 0.00 173.24 174.96 1gkk h ASN 876 N -1.27 0.00 1.10 7.02 -0.26 -1.91 0.13 115.58 120.41 1gkk h ASN 876 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 1gkk h ASN 876 Cb 1.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 1gkk h ASN 876 CO 0.59 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 177.43 1gkk n ASP 877 N -2.50 0.35 0.01 5.81 8.00 -1.26 -4.52 116.55 122.43 1gkk n ASP 877 Ca -0.01 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1gkk n ASP 877 Cb 0.12 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 1gkk n ASP 877 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1gkk n VAL 878 N -1.83 0.04 -2.79 2.53 0.31 -0.72 -4.72 118.33 111.14 1gkk n VAL 878 Ca 0.06 0.01 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1gkk n VAL 878 Cb 0.35 -0.87 0.02 0.00 -0.91 0.00 0.00 33.84 32.43 1gkk n VAL 878 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1gkk n LYS 879 N -2.75 -3.69 0.09 5.55 5.02 -0.04 -4.89 118.16 117.46 1gkk n LYS 879 Ca 0.00 0.86 0.09 0.00 -2.02 0.00 0.00 58.31 57.24 1gkk n LYS 879 Cb 0.17 -5.52 0.55 0.00 -0.02 0.00 0.00 35.03 30.21 1gkk n LYS 879 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1gkk h LEU 880 N -0.93 0.22 -1.75 -0.35 5.85 -1.75 -1.71 115.31 114.89 1gkk h LEU 880 Ca -0.48 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.27 1gkk h LEU 880 Cb 1.34 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1gkk h LEU 880 CO 0.53 0.15 0.22 0.06 -0.34 0.00 0.00 178.44 179.05 1gkk h GLN 881 N 0.25 0.33 -0.45 1.25 -0.00 -1.90 -0.85 115.11 113.73 1gkk h GLN 881 Ca 0.12 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.65 58.69 1gkk h GLN 881 Cb 0.17 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 27.56 1gkk h GLN 881 CO -0.02 0.22 0.06 -0.91 -0.00 0.00 0.00 178.83 178.17 1gkk h ASN 882 N 0.34 0.73 -0.28 0.06 2.35 -1.56 0.22 115.58 117.44 1gkk h ASN 882 Ca 0.13 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1gkk h ASN 882 Cb 0.11 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1gkk h ASN 882 CO -0.03 0.82 0.13 0.40 -1.65 0.00 0.00 177.43 177.10 1gkk h ILE 883 N 0.62 1.15 -0.21 2.81 2.04 -1.10 -0.93 117.51 121.89 1gkk h ILE 883 Ca 0.13 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1gkk h ILE 883 Cb 0.41 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1gkk h ILE 883 CO 0.01 0.16 -0.01 -0.07 0.00 0.00 0.00 178.15 178.24 1gkk h LEU 884 N 0.31 -0.09 0.11 1.44 3.38 -1.11 -0.38 115.31 118.96 1gkk h LEU 884 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1gkk h LEU 884 Cb 0.13 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1gkk h LEU 884 CO -0.01 -0.02 -0.11 0.44 0.09 0.00 0.00 178.44 178.83 1gkk h ASP 885 N 0.06 -0.28 -0.35 -0.43 3.32 -0.79 -0.80 116.42 117.13 1gkk h ASP 885 Ca 0.10 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 1gkk h ASP 885 Cb 0.13 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1gkk h ASP 885 CO -0.17 -0.17 -0.10 0.45 -1.72 0.00 0.00 179.24 177.54 1gkk h HIS 886 N -0.24 0.86 -0.50 4.55 3.86 -1.06 -3.07 115.15 119.56 1gkk h HIS 886 Ca 0.00 -0.15 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 1gkk h HIS 886 Cb 0.23 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1gkk h HIS 886 CO -0.12 0.85 0.04 0.00 0.86 0.00 0.00 177.93 179.55 1gkk h ALA 887 N 1.17 0.67 0.00 2.45 0.00 -0.88 -0.92 119.26 121.75 1gkk h ALA 887 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gkk h ALA 887 Cb 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gkk h ALA 887 CO 0.04 0.44 0.00 -0.89 0.00 0.00 0.00 179.25 178.84 1gkk n ILE 888 N -4.36 0.16 0.00 0.00 5.41 -0.32 -1.03 119.36 119.22 1gkk n ILE 888 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1gkk n ILE 888 Cb 0.29 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 1gkk n ILE 888 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1gkk n ASN 890 N 0.63 0.00 -0.06 4.38 5.03 -0.35 -4.55 115.26 120.34 1gkk n ASN 890 Ca 0.00 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.44 1gkk n ASN 890 Cb 0.11 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.87 1gkk n ASN 890 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gkk n GLY 891 N 0.00 0.48 0.16 7.41 0.00 -0.89 -4.92 105.19 107.44 1gkk n GLY 891 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1gkk n GLY 891 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gkk h GLU 892 N 0.47 0.00 -3.61 1.61 5.08 -1.32 -3.41 114.58 113.41 1gkk h GLU 892 Ca -0.02 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.00 1gkk h GLU 892 Cb 0.09 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.99 1gkk h GLU 892 CO 0.02 0.40 -0.74 -1.17 -1.00 0.00 0.00 179.01 176.52 1gkk s LEU 893 N -6.44 0.94 0.37 1.33 2.96 -1.12 -4.74 118.68 111.98 1gkk s LEU 893 Ca 0.04 0.00 -0.26 0.00 -0.22 0.00 0.00 54.13 53.69 1gkk s LEU 893 Cb 0.07 -0.19 -0.09 0.00 0.50 0.00 0.00 46.19 46.49 1gkk s LEU 893 CO 0.73 -0.14 1.16 -1.61 -1.32 0.00 0.00 176.35 175.17 1gkk s GLU 894 N 1.28 4.21 0.29 1.98 2.02 -1.26 -4.09 118.70 123.14 1gkk s GLU 894 Ca -0.06 1.85 -0.30 0.00 0.02 0.00 0.00 54.97 56.48 1gkk s GLU 894 Cb -0.13 -2.81 -0.12 0.00 0.10 0.00 0.00 34.13 31.16 1gkk s GLU 894 CO -0.02 -0.18 1.44 -2.30 0.02 0.00 0.00 175.26 174.21 1gkk n PRO 895 N 0.37 2.29 -3.85 0.39 -0.02 -1.26 -4.98 135.00 127.94 1gkk n PRO 895 Ca 0.03 0.81 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1gkk n PRO 895 Cb 0.46 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 1gkk n PRO 895 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1gkk s LEU 896 N -0.48 0.15 -0.11 2.45 2.34 -1.26 -4.55 118.68 117.21 1gkk s LEU 896 Ca 0.63 -0.66 -0.15 0.00 0.06 0.00 0.00 54.13 54.01 1gkk s LEU 896 Cb -0.57 2.07 -0.05 0.00 -0.56 0.00 0.00 46.19 47.08 1gkk s LEU 896 CO 0.53 -1.12 0.36 -0.63 -1.06 0.00 0.00 176.35 174.44 1gkk s ILE 897 N -3.93 5.22 -0.12 1.48 1.01 -0.22 -3.82 121.20 120.83 1gkk s ILE 897 Ca 0.14 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.53 1gkk s ILE 897 Cb -0.01 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1gkk s ILE 897 CO 0.02 0.43 -0.22 -0.69 0.00 0.00 0.00 174.94 174.48 1gkk s VAL 898 N 0.08 2.21 -0.09 2.92 1.01 -0.67 -1.05 120.40 124.79 1gkk s VAL 898 Ca 0.21 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1gkk s VAL 898 Cb -0.14 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1gkk s VAL 898 CO 0.08 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.89 1gkk s VAL 899 N 0.52 2.91 -0.41 2.92 1.01 0.05 -0.32 120.40 127.08 1gkk s VAL 899 Ca -0.14 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1gkk s VAL 899 Cb -0.17 -2.18 0.11 0.00 0.00 0.00 0.00 36.38 34.15 1gkk s VAL 899 CO 0.05 0.55 0.16 0.42 0.00 0.00 0.00 175.10 176.28 1gkk s THR 900 N -0.06 2.69 0.00 3.92 -4.23 0.04 -0.44 115.64 117.55 1gkk s THR 900 Ca -0.03 -2.52 0.00 0.00 -1.18 0.00 0.00 61.69 57.95 1gkk s THR 900 Cb -0.14 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1gkk s THR 900 CO 0.04 -0.68 0.00 -0.81 -0.54 0.00 0.00 174.62 172.63 1gkk n PRO 901 N 4.04 1.18 -3.90 3.99 -0.04 -1.25 -1.77 135.00 137.24 1gkk n PRO 901 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1gkk n PRO 901 Cb 0.40 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.75 1gkk n PRO 901 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gkk s THR 902 N 0.53 0.08 -2.50 0.52 -1.32 -1.26 -4.09 115.64 107.60 1gkk s THR 902 Ca 0.00 -0.63 0.26 0.00 -1.21 0.00 0.00 61.69 60.11 1gkk s THR 902 Cb 0.00 -0.32 0.50 0.00 -1.51 0.00 0.00 72.50 71.17 1gkk s THR 902 CO 0.00 -0.35 1.66 2.22 -2.21 0.00 0.00 174.62 175.95 1gkk n PHE 903 N 1.81 0.05 -1.67 9.09 1.16 -1.26 -4.93 117.46 121.71 1gkk n PHE 903 Ca -0.21 -0.03 -0.30 0.00 -1.87 0.00 0.00 57.45 55.04 1gkk n PHE 903 Cb 0.56 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.50 1gkk n PHE 903 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1gkk s ASN 904 N -1.91 4.85 0.00 5.98 0.01 -1.26 -3.31 114.94 119.30 1gkk s ASN 904 Ca 0.36 1.25 0.00 0.00 -0.71 0.00 0.00 52.86 53.76 1gkk s ASN 904 Cb 0.20 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.85 1gkk s ASN 904 CO 0.32 -1.74 0.00 0.61 -1.51 0.00 0.00 177.10 174.78 1gkk n GLY 905 N -2.41 1.95 7.00 0.66 0.00 -1.26 -4.78 105.19 106.35 1gkk n GLY 905 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1gkk n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkk n GLY 906 N 2.52 3.23 0.85 -0.02 0.00 -1.23 -0.75 105.19 109.79 1gkk n GLY 906 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1gkk n GLY 906 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkk n ASN 907 N 3.45 2.45 -4.78 1.61 3.02 -1.26 -4.97 115.26 114.78 1gkk n ASN 907 Ca 0.00 -2.03 -0.37 0.00 -0.03 0.00 0.00 54.58 52.16 1gkk n ASN 907 Cb 0.00 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 1gkk n ASN 907 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkk s THR 909 N -1.62 0.15 0.27 0.00 -4.23 -1.21 -4.60 115.64 104.40 1gkk s THR 909 Ca 0.54 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1gkk s THR 909 Cb -0.21 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.40 1gkk s THR 909 CO 0.27 -0.04 1.86 0.00 -0.54 0.00 0.00 174.62 176.17 1gkk h ALA 910 N 2.58 1.40 -0.07 3.99 0.00 -1.98 -0.93 119.26 124.25 1gkk h ALA 910 Ca -0.36 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1gkk h ALA 910 Cb 1.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1gkk h ALA 910 CO 0.55 0.35 -0.62 -0.56 0.00 0.00 0.00 179.25 178.97 1gkk h GLN 911 N 1.09 0.24 -0.02 0.00 3.07 -1.94 -3.31 115.11 114.23 1gkk h GLN 911 Ca 0.44 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1gkk h GLN 911 Cb 0.27 0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1gkk h GLN 911 CO -0.20 0.78 -0.03 0.27 0.09 0.00 0.00 178.83 179.74 1gkk n ASN 912 N -3.86 2.53 -0.17 0.06 0.23 -0.92 -4.55 115.26 108.58 1gkk n ASN 912 Ca -0.02 -1.77 0.17 0.00 -0.53 0.00 0.00 54.58 52.43 1gkk n ASN 912 Cb 0.63 0.04 0.52 0.00 -2.08 0.00 0.00 39.78 38.89 1gkk n ASN 912 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1gkk h PHE 913 N 3.62 0.45 -1.05 -2.53 3.57 -1.28 -2.50 116.94 117.23 1gkk h PHE 913 Ca 0.00 0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.80 1gkk h PHE 913 Cb 0.79 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1gkk h PHE 913 CO 0.00 0.16 0.73 0.10 -2.23 0.00 0.00 178.31 177.07 1gkk h TYR 914 N 0.38 0.24 -0.13 0.41 -0.00 -1.84 -0.06 116.97 115.97 1gkk h TYR 914 Ca 0.39 0.01 -0.06 0.00 0.00 0.00 0.00 58.73 59.06 1gkk h TYR 914 Cb 0.96 -0.07 -0.00 0.00 0.00 0.00 0.00 36.73 37.62 1gkk h TYR 914 CO -0.00 0.03 -0.17 1.96 -0.00 0.00 0.00 178.16 179.98 1gkk h GLN 915 N 0.15 0.33 -0.74 0.10 1.08 -1.81 -1.10 115.11 113.12 1gkk h GLN 915 Ca 0.53 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.52 1gkk h GLN 915 Cb 1.82 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.23 1gkk h GLN 915 CO -0.11 0.76 0.37 1.49 -0.95 0.00 0.00 178.83 180.39 1gkk h GLU 916 N -0.07 1.05 -0.13 1.46 4.81 -1.53 -1.78 114.58 118.39 1gkk h GLU 916 Ca 0.01 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1gkk h GLU 916 Cb 0.72 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1gkk h GLU 916 CO 0.04 0.80 -0.05 0.35 -0.73 0.00 0.00 179.01 179.42 1gkk h PHE 917 N 1.04 -0.11 -0.43 0.92 3.57 -0.86 0.97 116.94 122.04 1gkk h PHE 917 Ca 0.26 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1gkk h PHE 917 Cb 0.09 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1gkk h PHE 917 CO 0.01 -0.08 0.13 0.00 -2.23 0.00 0.00 178.31 176.14 1gkk h ARG 918 N -0.03 0.67 0.04 1.11 3.08 -0.85 -2.12 114.38 116.29 1gkk h ARG 918 Ca 0.07 -0.15 -0.31 0.00 0.07 0.00 0.00 59.98 59.66 1gkk h ARG 918 Cb 0.13 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1gkk h ARG 918 CO -0.15 0.67 -1.74 1.96 -1.07 0.00 0.00 179.97 179.64 1gkk h GLN 919 N 0.56 0.08 0.00 0.04 4.20 -1.25 -3.42 115.11 115.31 1gkk h GLN 919 Ca 0.14 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1gkk h GLN 919 Cb 0.28 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1gkk h GLN 919 CO -0.00 0.72 -1.20 0.09 -0.67 0.00 0.00 178.83 177.76 1gkk n ASN 920 N -3.18 0.43 0.02 1.46 5.03 0.24 -4.68 115.26 114.58 1gkk n ASN 920 Ca -0.20 0.04 -0.13 0.00 0.87 0.00 0.00 54.58 55.17 1gkk n ASN 920 Cb 1.05 -0.11 -0.09 0.00 -1.02 0.00 0.00 39.78 39.61 1gkk n ASN 920 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1gkk h VAL 921 N -0.12 1.21 0.38 2.41 2.07 -1.23 -1.51 116.25 119.46 1gkk h VAL 921 Ca -0.09 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1gkk h VAL 921 Cb 1.08 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1gkk h VAL 921 CO -0.05 0.25 -0.25 0.40 0.02 0.00 0.00 177.57 177.93 1gkk h ILE 922 N -0.54 0.48 -0.69 4.57 2.04 -1.63 -0.61 117.51 121.13 1gkk h ILE 922 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1gkk h ILE 922 Cb 0.47 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1gkk h ILE 922 CO 0.01 0.00 0.44 -0.65 0.00 0.00 0.00 178.15 177.96 1gkk h PRO 923 N -0.61 0.92 -0.06 2.37 0.11 -1.81 -0.19 132.00 132.73 1gkk h PRO 923 Ca -0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1gkk h PRO 923 Cb 0.51 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1gkk h PRO 923 CO 0.03 0.62 -0.01 0.35 -0.21 0.00 0.00 178.00 178.78 1gkk h PHE 924 N 0.94 0.14 -0.13 0.65 3.57 -1.06 -1.88 116.94 119.17 1gkk h PHE 924 Ca 0.25 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1gkk h PHE 924 Cb -0.08 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 1gkk h PHE 924 CO 0.00 0.44 -0.11 0.28 -2.23 0.00 0.00 178.31 176.69 1gkk h VAL 925 N -0.21 1.34 -0.00 1.41 2.07 -0.92 -3.23 116.25 116.71 1gkk h VAL 925 Ca 0.02 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1gkk h VAL 925 Cb 0.39 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1gkk h VAL 925 CO 0.01 0.36 -0.03 -0.62 0.02 0.00 0.00 177.57 177.31 1gkk n GLU 926 N -4.61 0.10 0.16 1.57 1.02 -0.10 -1.33 120.64 117.45 1gkk n GLU 926 Ca -0.06 -0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.13 1gkk n GLU 926 Cb 0.34 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1gkk n GLU 926 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gkk h SER 927 N 0.01 0.00 0.00 1.62 4.64 -1.36 -3.38 113.55 115.09 1gkk h SER 927 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1gkk h SER 927 Cb 0.46 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.48 1gkk h SER 927 CO 0.00 0.34 -2.43 1.17 -0.87 0.00 0.00 176.83 175.04 1gkk n LYS 928 N -3.16 0.67 -4.31 4.77 4.81 -0.72 -4.98 118.16 115.23 1gkk n LYS 928 Ca 0.02 0.07 -0.29 0.00 -0.87 0.00 0.00 58.31 57.24 1gkk n LYS 928 Cb 0.67 -1.52 -0.11 0.00 0.02 0.00 0.00 35.03 34.09 1gkk n LYS 928 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1gkk s TYR 929 N -2.51 2.55 -0.79 5.64 2.02 -0.44 -5.06 117.35 118.76 1gkk s TYR 929 Ca -0.22 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.00 1gkk s TYR 929 Cb 0.07 -1.36 0.08 0.00 -0.40 0.00 0.00 41.96 40.35 1gkk s TYR 929 CO 0.72 0.38 1.12 -1.12 -1.57 0.00 0.00 175.55 175.09 1gkk s SER 930 N -2.12 6.33 0.07 2.29 0.01 -1.26 -4.54 113.70 114.47 1gkk s SER 930 Ca 0.18 -1.22 0.01 0.00 1.31 0.00 0.00 55.95 56.23 1gkk s SER 930 Cb -0.11 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.68 1gkk s SER 930 CO 0.10 -1.43 0.08 0.35 0.41 0.00 0.00 173.24 172.75 1gkk n THR 931 N 6.03 0.00 1.10 1.44 -2.24 -1.26 -1.46 114.28 117.90 1gkk n THR 931 Ca 0.09 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1gkk n THR 931 Cb 0.48 -0.75 0.62 0.00 -2.10 0.00 0.00 70.33 68.57 1gkk n THR 931 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1gkk n TYR 932 N -0.97 0.00 -1.99 4.78 4.02 -1.24 -4.44 117.16 117.32 1gkk n TYR 932 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1gkk n TYR 932 Cb 0.08 -0.38 -0.03 0.00 -0.02 0.00 0.00 39.34 38.99 1gkk n TYR 932 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gkk s ALA 933 N -2.75 3.62 0.20 -0.72 0.00 -1.26 -4.76 121.76 116.09 1gkk s ALA 933 Ca 0.20 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1gkk s ALA 933 Cb 0.17 -3.74 0.12 0.00 0.00 0.00 0.00 23.12 19.68 1gkk s ALA 933 CO 0.43 -1.34 1.47 0.93 0.00 0.00 0.00 175.76 177.25 1gkk h GLU 934 N 9.34 0.19 -3.96 0.00 5.08 -1.86 -3.46 114.58 119.91 1gkk h GLU 934 Ca -0.40 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 57.67 1gkk h GLU 934 Cb 1.18 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 1gkk h GLU 934 CO 0.95 0.85 -0.33 -1.54 -1.00 0.00 0.00 179.01 177.94 1gkk s SER 935 N -6.90 0.03 -0.29 1.42 1.04 -1.26 -5.06 113.70 102.68 1gkk s SER 935 Ca -0.03 -0.99 0.11 0.00 0.48 0.00 0.00 55.95 55.52 1gkk s SER 935 Cb 0.11 0.47 0.67 0.00 0.10 0.00 0.00 66.02 67.36 1gkk s SER 935 CO 0.81 -0.95 1.68 0.35 0.98 0.00 0.00 173.24 176.11 1gkk n THR 936 N -0.27 2.76 -1.48 2.02 -2.24 -1.26 -3.66 114.28 110.15 1gkk n THR 936 Ca -0.04 -1.87 -0.30 0.00 -2.27 0.00 0.00 64.05 59.57 1gkk n THR 936 Cb 0.63 -0.34 0.09 0.00 -2.10 0.00 0.00 70.33 68.62 1gkk n THR 936 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1gkk s THR 937 N -3.01 3.24 0.27 4.28 -4.23 -1.26 -4.77 115.64 110.16 1gkk s THR 937 Ca 0.51 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 1gkk s THR 937 Cb 0.42 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 71.43 1gkk s THR 937 CO 0.10 -0.53 1.77 -0.65 -0.54 0.00 0.00 174.62 174.78 1gkk h PRO 938 N -1.08 0.65 -0.57 3.99 0.11 -1.98 0.78 132.00 133.90 1gkk h PRO 938 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1gkk h PRO 938 Cb 1.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1gkk h PRO 938 CO 0.57 0.43 0.36 1.96 -0.21 0.00 0.00 178.00 181.12 1gkk h GLN 939 N 0.67 0.77 -0.43 1.05 7.50 -1.94 -0.13 115.11 122.61 1gkk h GLN 939 Ca 0.50 -0.06 -0.09 0.00 0.50 0.00 0.00 58.65 59.49 1gkk h GLN 939 Cb 0.71 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 28.06 1gkk h GLN 939 CO -0.37 0.54 -0.11 0.78 -1.50 0.00 0.00 178.83 178.18 1gkk h GLY 940 N 0.78 0.84 0.56 3.46 0.00 -1.23 -1.13 103.07 106.34 1gkk h GLY 940 Ca 0.21 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 1gkk h GLY 940 CO -0.04 0.58 -0.01 -2.22 0.00 0.00 0.00 176.54 174.85 1gkk h ILE 941 N 0.70 1.36 -0.89 2.60 2.04 -0.72 -3.03 117.51 119.57 1gkk h ILE 941 Ca 0.12 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.98 1gkk h ILE 941 Cb 0.58 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.66 1gkk h ILE 941 CO 0.04 0.28 0.54 0.00 0.00 0.00 0.00 178.15 179.01 1gkk h ALA 942 N 0.55 1.26 0.00 1.87 0.00 -0.96 -2.12 119.26 119.86 1gkk h ALA 942 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gkk h ALA 942 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gkk h ALA 942 CO 0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1gkk n ALA 943 N -2.36 1.55 -0.61 0.00 0.00 -0.44 -2.42 120.51 116.23 1gkk n ALA 943 Ca 0.14 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.72 1gkk n ALA 943 Cb 0.24 -1.33 0.17 0.00 0.00 0.00 0.00 19.45 18.52 1gkk n ALA 943 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gkk n SER 944 N -2.07 3.03 -2.41 0.00 3.41 -0.82 -5.00 113.62 109.75 1gkk n SER 944 Ca 0.02 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1gkk n SER 944 Cb 0.18 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1gkk n SER 944 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gkk n ARG 945 N -0.38 0.00 -0.05 4.33 1.85 -1.01 -3.79 116.66 117.60 1gkk n ARG 945 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1gkk n ARG 945 Cb 0.61 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 1gkk n ARG 945 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1gkk n HIS 947 N 2.58 0.00 -4.18 2.89 8.25 -1.26 -2.32 115.22 121.19 1gkk n HIS 947 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1gkk n HIS 947 Cb 0.00 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 1gkk n HIS 947 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1gkk s ARG 948 N 0.00 0.60 0.08 -0.41 3.52 -1.25 -1.84 118.95 119.65 1gkk s ARG 948 Ca 0.00 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1gkk s ARG 948 Cb 0.00 -0.60 -0.04 0.00 -1.56 0.00 0.00 34.95 32.75 1gkk s ARG 948 CO 0.00 0.04 -0.06 0.20 -0.81 0.00 0.00 175.30 174.67 1gkk s GLY 949 N 0.31 0.67 -0.01 8.12 0.00 -0.20 -2.21 107.32 114.00 1gkk s GLY 949 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1gkk s GLY 949 CO -0.00 -1.36 -0.00 -0.12 0.00 0.00 0.00 173.10 171.61 1gkk s PHE 950 N -3.48 0.11 0.30 1.90 2.19 0.09 -1.19 117.98 117.91 1gkk s PHE 950 Ca 0.09 0.01 -0.08 0.00 0.33 0.00 0.00 56.93 57.28 1gkk s PHE 950 Cb 0.04 -0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.62 1gkk s PHE 950 CO -0.06 -0.03 0.49 0.20 1.83 0.00 0.00 175.22 177.65 1gkk s GLY 951 N 0.30 1.01 0.00 13.12 0.00 0.07 -4.12 107.32 117.70 1gkk s GLY 951 Ca -0.03 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1gkk s GLY 951 CO -0.01 -0.81 0.00 0.61 0.00 0.00 0.00 173.10 172.89 1gkk n GLY 952 N -0.47 0.71 0.31 0.20 0.00 -1.26 -4.05 105.19 100.63 1gkk n GLY 952 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.25 1gkk n GLY 952 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gkk n PHE 953 N -0.14 0.14 0.00 1.61 7.35 -1.26 -0.90 117.46 124.26 1gkk n PHE 953 Ca 0.00 -0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.43 1gkk n PHE 953 Cb 0.00 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.81 1gkk n PHE 953 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1gkk n GLY 956 N 0.21 1.45 0.25 7.13 0.00 -0.99 -3.38 105.19 109.87 1gkk n GLY 956 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1gkk n GLY 956 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1gkk h GLY 957 N 0.00 0.96 0.90 -0.02 0.00 -1.70 -1.79 103.07 101.42 1gkk h GLY 957 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 47.33 46.35 1gkk h GLY 957 CO 0.00 0.91 0.40 -2.00 0.00 0.00 0.00 176.54 175.85 1gkk h LEU 958 N 0.69 0.67 -0.76 3.11 7.12 -1.82 -1.62 115.31 122.69 1gkk h LEU 958 Ca 0.05 -0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.15 1gkk h LEU 958 Cb 0.98 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 40.89 1gkk h LEU 958 CO 0.09 0.47 0.40 0.74 -0.13 0.00 0.00 178.44 180.01 1gkk h THR 959 N 0.80 0.87 -0.49 1.05 2.02 -1.68 -2.06 112.91 113.42 1gkk h THR 959 Ca 0.25 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1gkk h THR 959 Cb -0.00 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.51 1gkk h THR 959 CO -0.09 0.12 0.30 0.74 0.37 0.00 0.00 175.52 176.96 1gkk h THR 960 N 0.67 1.08 -0.70 3.16 2.02 -0.60 0.15 112.91 118.70 1gkk h THR 960 Ca 0.37 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 1gkk h THR 960 Cb 0.38 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1gkk h THR 960 CO -0.26 0.11 0.27 -0.50 0.37 0.00 0.00 175.52 175.51 1gkk h TRP 961 N 0.61 1.07 -0.17 3.16 4.06 -0.74 -2.66 115.95 121.28 1gkk h TRP 961 Ca 0.19 -0.08 -0.10 0.00 2.06 0.00 0.00 58.89 60.96 1gkk h TRP 961 Cb -0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.81 1gkk h TRP 961 CO -0.06 0.83 -0.33 1.88 -3.56 0.00 0.00 178.44 177.20 1gkk h TYR 962 N 1.00 0.39 0.00 0.49 -1.99 -0.88 -1.83 116.97 114.14 1gkk h TYR 962 Ca 0.23 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1gkk h TYR 962 Cb 0.22 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1gkk h TYR 962 CO 0.02 0.64 0.00 0.28 -0.00 0.00 0.00 178.16 179.09 1gkk n VAL 963 N -4.08 0.12 0.00 -2.88 0.31 0.49 -2.34 118.33 109.96 1gkk n VAL 963 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1gkk n VAL 963 Cb 0.44 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1gkk n VAL 963 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1gkk n VAL 965 N 0.74 0.00 0.76 2.52 0.24 -0.69 -0.15 118.33 121.75 1gkk n VAL 965 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 1gkk n VAL 965 Cb 0.08 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 1gkk n VAL 965 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1gkk n ASN 966 N 0.00 1.37 -1.12 -1.34 3.02 -0.99 -4.70 115.26 111.50 1gkk n ASN 966 Ca 0.00 -1.18 0.03 0.00 -0.03 0.00 0.00 54.58 53.40 1gkk n ASN 966 Cb 0.00 0.65 0.02 0.00 -0.61 0.00 0.00 39.78 39.85 1gkk n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkk h LEU 968 N 0.67 0.00 -2.07 0.00 3.38 -1.79 -0.69 115.31 114.81 1gkk h LEU 968 Ca -0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1gkk h LEU 968 Cb 1.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1gkk h LEU 968 CO 0.06 0.04 -0.07 -2.24 0.09 0.00 0.00 178.44 176.32 1gkk h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.95 -3.23 116.42 112.85 1gkk h ASP 969 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1gkk h ASP 969 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1gkk h ASP 969 CO 0.01 0.07 -1.37 -1.22 -1.03 0.00 0.00 179.24 175.70 1gkk n TYR 970 N -3.99 0.00 -4.13 4.15 4.02 -0.37 -4.32 117.16 112.52 1gkk n TYR 970 Ca -0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.68 1gkk n TYR 970 Cb 0.16 -0.23 -0.16 0.00 -0.02 0.00 0.00 39.34 39.09 1gkk n TYR 970 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1gkk s VAL 971 N -2.74 0.44 -0.09 -0.72 1.01 -0.56 -4.33 120.40 113.42 1gkk s VAL 971 Ca -0.03 -0.11 0.14 0.00 0.00 0.00 0.00 61.98 61.99 1gkk s VAL 971 Cb 0.08 -0.46 -0.21 0.00 0.00 0.00 0.00 36.38 35.79 1gkk s VAL 971 CO 0.53 0.19 0.19 0.00 0.00 0.00 0.00 175.10 176.01 1gkk n ALA 972 N 3.82 2.09 -3.15 5.51 0.00 -0.94 -4.49 120.51 123.34 1gkk n ALA 972 Ca -0.23 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.19 1gkk n ALA 972 Cb 0.52 -0.29 -0.16 0.00 0.00 0.00 0.00 19.45 19.52 1gkk n ALA 972 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1gkk s TYR 973 N -2.71 2.66 0.12 0.00 1.51 -1.14 -0.81 117.35 116.98 1gkk s TYR 973 Ca -0.07 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.12 1gkk s TYR 973 Cb 0.07 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1gkk s TYR 973 CO 0.63 -0.33 0.03 1.19 -1.11 0.00 0.00 175.55 175.95 1gkk n PHE 974 N 3.51 0.12 -3.41 2.71 3.72 -0.01 -0.73 117.46 123.37 1gkk n PHE 974 Ca -0.19 -0.71 0.03 0.00 -0.05 0.00 0.00 57.45 56.54 1gkk n PHE 974 Cb 0.53 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 1gkk n PHE 974 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1gkk s PRO 976 N -2.45 0.05 -0.21 -1.08 0.04 -1.25 -1.06 135.00 129.05 1gkk s PRO 976 Ca 0.04 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1gkk s PRO 976 Cb 0.00 0.04 0.02 0.00 0.04 0.00 0.00 34.50 34.61 1gkk s PRO 976 CO 0.03 -0.01 -0.14 -0.51 0.04 0.00 0.00 177.00 176.41 1gkk s LEU 977 N 1.60 2.66 -1.37 -3.56 1.43 -0.07 -2.05 118.68 117.31 1gkk s LEU 977 Ca -0.04 -0.79 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 1gkk s LEU 977 Cb -0.02 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1gkk s LEU 977 CO -0.13 -0.06 0.78 -1.20 0.23 0.00 0.00 176.35 175.97 1gkk n SER 978 N 4.62 -2.25 -3.65 2.29 7.64 -0.19 -4.18 113.62 117.91 1gkk n SER 978 Ca -0.19 -0.80 -0.14 0.00 1.01 0.00 0.00 58.87 58.75 1gkk n SER 978 Cb 0.48 -4.02 -0.08 0.00 -1.01 0.00 0.00 64.21 59.58 1gkk n SER 978 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1gkk s GLY 979 N -4.06 -0.47 0.41 0.23 0.00 -1.26 -4.82 107.32 97.34 1gkk s GLY 979 Ca 0.19 1.62 0.08 0.00 0.00 0.00 0.00 44.72 46.61 1gkk s GLY 979 CO 0.82 1.36 0.39 0.51 0.00 0.00 0.00 173.10 176.18 1gkk s ASP 980 N 0.02 5.17 -0.26 1.64 -4.77 -1.26 -4.64 116.67 112.56 1gkk s ASP 980 Ca -0.02 -0.67 -0.22 0.00 -3.30 0.00 0.00 52.55 48.34 1gkk s ASP 980 Cb -0.04 -0.64 -0.01 0.00 -1.09 0.00 0.00 42.92 41.14 1gkk s ASP 980 CO 0.02 -0.62 0.72 -0.47 0.70 0.00 0.00 175.17 175.52 1gkk s TYR 981 N -2.43 3.28 -1.45 2.11 5.04 -1.26 -4.37 117.35 118.26 1gkk s TYR 981 Ca 0.48 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1gkk s TYR 981 Cb -0.04 -2.97 0.00 0.00 0.35 0.00 0.00 41.96 39.29 1gkk s TYR 981 CO 0.28 -0.39 0.70 0.91 -1.34 0.00 0.00 175.55 175.71 1gkk n TRP 982 N 5.89 0.00 -3.35 4.97 7.02 -1.26 -4.75 117.44 125.96 1gkk n TRP 982 Ca 0.02 0.00 -0.46 0.00 -1.02 0.00 0.00 57.50 56.04 1gkk n TRP 982 Cb 0.48 -0.05 -0.03 0.00 -2.42 0.00 0.00 31.31 29.29 1gkk n TRP 982 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 1gkk s TYR 983 N -1.45 3.65 0.00 -5.99 5.04 -1.26 -4.92 117.35 112.42 1gkk s TYR 983 Ca 0.00 -1.91 0.00 0.00 -2.44 0.00 0.00 57.07 52.72 1gkk s TYR 983 Cb 0.00 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.53 1gkk s TYR 983 CO 0.00 -0.99 0.00 0.41 -1.34 0.00 0.00 175.55 173.63 1gkk n GLY 984 N 4.18 4.28 1.15 8.97 0.00 -1.26 -3.76 105.19 118.76 1gkk n GLY 984 Ca 0.08 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.67 1gkk n GLY 984 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkk n ASN 985 N 0.00 3.50 -3.60 1.61 3.02 -1.26 -4.91 115.26 113.62 1gkk n ASN 985 Ca 0.00 -1.98 -0.12 0.00 -0.03 0.00 0.00 54.58 52.44 1gkk n ASN 985 Cb 0.00 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 1gkk n ASN 985 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1gkk s SER 986 N -1.38 -0.35 0.52 6.41 0.15 -1.26 -5.00 113.70 112.79 1gkk s SER 986 Ca 0.39 -0.03 0.17 0.00 0.70 0.00 0.00 55.95 57.19 1gkk s SER 986 Cb 0.22 0.48 1.30 0.00 -1.71 0.00 0.00 66.02 66.32 1gkk s SER 986 CO 0.31 -0.77 2.14 -0.65 1.20 0.00 0.00 173.24 175.47 1gkk h PRO 987 N 2.64 0.00 -0.40 5.44 0.11 -1.92 -2.34 132.00 135.53 1gkk h PRO 987 Ca -0.32 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1gkk h PRO 987 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1gkk h PRO 987 CO 0.43 0.00 -0.11 1.96 -0.21 0.00 0.00 178.00 180.07 1gkk h GLN 988 N 0.00 0.77 -0.89 1.05 7.50 -1.95 -1.12 115.11 120.47 1gkk h GLN 988 Ca 0.03 -0.30 0.07 0.00 0.50 0.00 0.00 58.65 58.95 1gkk h GLN 988 Cb 0.11 -0.04 -0.07 0.00 0.05 0.00 0.00 27.48 27.53 1gkk h GLN 988 CO -0.00 0.91 0.55 -0.44 -1.50 0.00 0.00 178.83 178.35 1gkk h ASP 989 N 0.58 0.85 0.30 1.46 5.19 -1.77 0.40 116.42 123.42 1gkk h ASP 989 Ca 0.10 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1gkk h ASP 989 Cb 0.64 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1gkk h ASP 989 CO 0.04 0.52 -0.14 0.11 -3.12 0.00 0.00 179.24 176.65 1gkk h LYS 990 N 0.97 -0.38 -0.62 3.56 1.57 -1.16 -1.45 116.57 119.05 1gkk h LYS 990 Ca 0.40 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1gkk h LYS 990 Cb 0.23 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1gkk h LYS 990 CO -0.19 -0.17 0.32 0.00 -0.57 0.00 0.00 179.45 178.84 1gkk h ALA 991 N 0.13 0.79 -0.20 3.86 0.00 -1.00 -2.55 119.26 120.29 1gkk h ALA 991 Ca -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1gkk h ALA 991 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gkk h ALA 991 CO 0.07 0.34 -0.05 -0.91 0.00 0.00 0.00 179.25 178.69 1gkk h ASN 992 N 0.84 0.29 -0.62 0.00 2.35 -0.14 -0.68 115.58 117.62 1gkk h ASN 992 Ca 0.22 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1gkk h ASN 992 Cb 0.08 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1gkk h ASN 992 CO -0.03 0.39 0.28 -1.28 -1.65 0.00 0.00 177.43 175.13 1gkk h SER 993 N 0.30 0.83 -0.24 5.81 0.87 -0.88 0.14 113.55 120.39 1gkk h SER 993 Ca 0.07 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1gkk h SER 993 Cb 0.29 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1gkk h SER 993 CO 0.01 0.75 -0.01 0.40 -0.53 0.00 0.00 176.83 177.45 1gkk h ILE 994 N 0.86 1.26 -0.72 2.23 2.04 -1.07 -1.46 117.51 120.66 1gkk h ILE 994 Ca 0.21 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.17 1gkk h ILE 994 Cb 0.16 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1gkk h ILE 994 CO -0.02 0.29 0.46 0.00 0.00 0.00 0.00 178.15 178.87 1gkk h ALA 995 N 0.80 0.93 -0.76 1.87 0.00 -0.91 -0.57 119.26 120.62 1gkk h ALA 995 Ca 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gkk h ALA 995 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1gkk h ALA 995 CO 0.01 0.26 0.31 0.93 0.00 0.00 0.00 179.25 180.76 1gkk h GLU 996 N 0.90 1.12 -0.72 0.00 5.08 -0.57 0.90 114.58 121.29 1gkk h GLU 996 Ca 0.28 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1gkk h GLU 996 Cb -0.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1gkk h GLU 996 CO -0.09 0.90 0.22 0.00 -1.00 0.00 0.00 179.01 179.04 1gkk h ALA 997 N 1.24 1.03 -0.32 3.43 0.00 -0.56 -1.01 119.26 123.07 1gkk h ALA 997 Ca 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gkk h ALA 997 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1gkk h ALA 997 CO -0.02 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.75 1gkk h ILE 998 N 1.07 1.24 -0.41 0.00 2.04 -0.57 -1.76 117.51 119.12 1gkk h ILE 998 Ca 0.23 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1gkk h ILE 998 Cb 0.30 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1gkk h ILE 998 CO -0.01 0.27 0.12 0.78 0.00 0.00 0.00 178.15 179.31 1gkk h ASN 999 N 0.36 0.09 -0.42 1.72 2.35 -0.60 -2.19 115.58 116.88 1gkk h ASN 999 Ca 0.10 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1gkk h ASN 999 Cb 0.35 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1gkk h ASN 999 CO 0.01 0.09 0.27 0.03 -1.65 0.00 0.00 177.43 176.17 1gkk h ARG 1000N 0.27 0.58 0.00 0.81 3.08 -0.99 -2.46 114.38 115.66 1gkk h ARG 1000Ca 0.19 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1gkk h ARG 1000Cb 0.20 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1gkk h ARG 1000CO -0.22 0.40 -0.09 0.66 -1.07 0.00 0.00 179.97 179.66 1gkk h SER 1001N 0.59 0.00 0.00 7.04 4.64 -0.68 -3.46 113.55 121.68 1gkk h SER 1001Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1gkk h SER 1001Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1gkk h SER 1001CO -0.03 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1gkk n GLY 1002N 0.16 0.56 3.77 -0.77 0.00 -0.93 -5.01 105.19 102.97 1gkk n GLY 1002Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1gkk n GLY 1002CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkk s LEU 1003N 0.00 3.67 0.69 0.99 1.43 -1.25 -5.04 118.68 119.16 1gkk s LEU 1003Ca 0.00 2.16 -0.10 0.00 -1.03 0.00 0.00 54.13 55.16 1gkk s LEU 1003Cb 0.00 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.67 1gkk s LEU 1003CO 0.00 -1.34 1.05 -0.94 0.23 0.00 0.00 176.35 175.35 1gkk s SER 1004N -1.93 5.32 0.18 2.29 1.04 -1.26 -4.93 113.70 114.41 1gkk s SER 1004Ca 0.72 0.92 0.15 0.00 0.48 0.00 0.00 55.95 58.21 1gkk s SER 1004Cb -0.24 -1.72 0.72 0.00 0.10 0.00 0.00 66.02 64.89 1gkk s SER 1004CO 0.30 -1.35 1.45 0.29 0.98 0.00 0.00 173.24 174.91 1gkk n LYS 1005N -2.92 0.09 -0.25 4.02 5.02 -1.26 -1.64 118.16 121.22 1gkk n LYS 1005Ca 0.06 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 56.95 1gkk n LYS 1005Cb 0.58 -1.75 0.23 0.00 -0.02 0.00 0.00 35.03 34.07 1gkk n LYS 1005CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gkk n ARG 1006N -1.94 2.15 0.00 1.97 5.12 -1.26 -4.27 116.66 118.44 1gkk n ARG 1006Ca 0.00 -1.79 0.00 0.00 -1.93 0.00 0.00 57.85 54.14 1gkk n ARG 1006Cb 0.08 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 1gkk n ARG 1006CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gkk n GLU 1007N 0.96 2.11 -3.74 5.56 1.02 -0.65 -5.01 120.64 120.89 1gkk n GLU 1007Ca 0.17 -1.23 -0.14 0.00 -0.02 0.00 0.00 57.16 55.94 1gkk n GLU 1007Cb 0.42 -0.93 -0.09 0.00 -0.02 0.00 0.00 31.44 30.83 1gkk n GLU 1007CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1gkk s TYR 1008N -0.74 -0.24 -0.11 -0.32 -0.85 -1.26 -4.72 117.35 109.12 1gkk s TYR 1008Ca 0.00 0.41 -0.06 0.00 -0.52 0.00 0.00 57.07 56.90 1gkk s TYR 1008Cb 0.00 0.13 0.04 0.00 0.38 0.00 0.00 41.96 42.51 1gkk s TYR 1008CO 0.00 -0.39 0.25 -0.06 -1.52 0.00 0.00 175.55 173.83 1gkk s PHE 1009N -1.16 -0.33 -0.16 -3.49 0.40 0.01 -4.80 117.98 108.44 1gkk s PHE 1009Ca -0.12 0.79 0.01 0.00 -0.60 0.00 0.00 56.93 57.00 1gkk s PHE 1009Cb -0.05 0.06 0.02 0.00 0.51 0.00 0.00 43.02 43.56 1gkk s PHE 1009CO 0.04 -0.23 -0.15 0.08 0.70 0.00 0.00 175.22 175.67 1gkk s VAL 1010N 1.16 1.68 -0.40 -0.44 1.01 -0.12 -0.83 120.40 122.48 1gkk s VAL 1010Ca -0.08 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1gkk s VAL 1010Cb -0.10 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.81 1gkk s VAL 1010CO -0.08 0.45 0.12 0.12 0.00 0.00 0.00 175.10 175.71 1gkk s PHE 1011N 1.44 3.56 0.33 5.22 2.19 -0.22 -1.48 117.98 129.01 1gkk s PHE 1011Ca 0.04 -3.06 -0.01 0.00 0.33 0.00 0.00 56.93 54.24 1gkk s PHE 1011Cb -0.13 -2.88 -0.04 0.00 -1.31 0.00 0.00 43.02 38.66 1gkk s PHE 1011CO -0.11 -0.88 0.55 0.00 1.83 0.00 0.00 175.22 176.61 1gkk s ALA 1012N 0.51 3.68 0.03 11.12 0.00 0.05 -3.81 121.76 133.33 1gkk s ALA 1012Ca 0.13 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1gkk s ALA 1012Cb -0.21 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.79 1gkk s ALA 1012CO -0.05 0.05 0.53 0.00 0.00 0.00 0.00 175.76 176.29 1gkk s ALA 1013N -2.25 -1.37 0.19 0.00 0.00 -0.87 -1.17 121.76 116.28 1gkk s ALA 1013Ca 0.41 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 52.96 1gkk s ALA 1013Cb -0.10 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.38 1gkk s ALA 1013CO 0.35 -0.48 0.47 -2.37 0.00 0.00 0.00 175.76 173.73 1gkk n THR 1014N 0.50 0.00 -4.27 0.00 5.66 -0.42 -1.02 114.28 114.73 1gkk n THR 1014Ca -0.19 -0.49 -0.27 0.00 -3.05 0.00 0.00 64.05 60.06 1gkk n THR 1014Cb 0.60 0.52 -0.09 0.00 -1.55 0.00 0.00 70.33 69.81 1gkk n THR 1014CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1gkk s GLY 1015N -2.28 1.73 0.39 1.09 0.00 -1.26 -0.91 107.32 106.08 1gkk s GLY 1015Ca 0.10 -1.44 0.28 0.00 0.00 0.00 0.00 44.72 43.66 1gkk s GLY 1015CO 0.06 -1.46 1.85 1.48 0.00 0.00 0.00 173.10 175.02 1gkk h SER 1016N 2.84 0.00 -0.32 1.64 4.64 -1.11 -1.93 113.55 119.30 1gkk h SER 1016Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1gkk h SER 1016Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1gkk h SER 1016CO 0.55 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.89 1gkk n GLU 1017N -2.56 3.14 -3.77 4.77 -0.58 -0.54 -4.88 120.64 116.23 1gkk n GLU 1017Ca 0.00 -2.74 -0.36 0.00 -0.42 0.00 0.00 57.16 53.64 1gkk n GLU 1017Cb 0.19 -1.79 -0.11 0.00 -0.57 0.00 0.00 31.44 29.17 1gkk n GLU 1017CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1gkk s ASP 1018N -1.62 5.73 0.59 1.62 -1.08 -0.73 -4.42 116.67 116.77 1gkk s ASP 1018Ca 0.41 0.01 0.29 0.00 -0.52 0.00 0.00 52.55 52.73 1gkk s ASP 1018Cb 0.31 -2.03 1.60 0.00 -1.46 0.00 0.00 42.92 41.34 1gkk s ASP 1018CO 0.11 0.05 2.03 0.40 0.52 0.00 0.00 175.17 178.28 1gkk h ILE 1019N 5.16 0.42 -0.15 4.11 1.08 -1.92 -0.86 117.51 125.35 1gkk h ILE 1019Ca -0.37 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 1gkk h ILE 1019Cb 1.17 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 1gkk h ILE 1019CO 0.63 0.00 0.13 0.00 -0.69 0.00 0.00 178.15 178.22 1gkk h ALA 1020N 1.65 1.93 -0.89 1.87 0.00 -1.91 -1.89 119.26 120.02 1gkk h ALA 1020Ca 0.13 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1gkk h ALA 1020Cb 0.72 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 1gkk h ALA 1020CO -0.00 -0.21 0.57 -0.92 0.00 0.00 0.00 179.25 178.69 1gkk h TYR 1021N 0.00 0.93 -0.87 0.00 5.03 -1.41 -2.84 116.97 117.80 1gkk h TYR 1021Ca 0.07 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.45 1gkk h TYR 1021Cb 0.33 -0.30 -0.06 0.00 1.55 0.00 0.00 36.73 38.26 1gkk h TYR 1021CO 0.00 0.41 0.55 0.00 -1.32 0.00 0.00 178.16 177.81 1gkk h ALA 1022N 1.56 1.16 -0.57 1.82 0.00 -1.55 -0.62 119.26 121.07 1gkk h ALA 1022Ca 0.42 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.97 1gkk h ALA 1022Cb 0.46 -0.28 -0.17 0.00 0.00 0.00 0.00 17.79 17.80 1gkk h ALA 1022CO -0.18 0.36 0.43 0.09 0.00 0.00 0.00 179.25 179.95 1gkk n ASN 1023N -4.57 4.75 0.00 0.00 3.02 -1.07 -4.34 115.26 113.05 1gkk n ASN 1023Ca 0.11 -3.04 0.00 0.00 -0.03 0.00 0.00 54.58 51.63 1gkk n ASN 1023Cb 0.12 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 1gkk n ASN 1023CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1gkk n ASN 1025N -0.22 0.00 -0.03 6.41 5.15 -0.24 -3.70 115.26 122.63 1gkk n ASN 1025Ca 0.35 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.36 1gkk n ASN 1025Cb 0.94 0.00 0.37 0.00 -0.53 0.00 0.00 39.78 40.56 1gkk n ASN 1025CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1gkk h PRO 1026N 0.00 0.59 -0.39 1.20 0.11 -1.82 -0.86 132.00 130.82 1gkk h PRO 1026Ca 0.00 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 1gkk h PRO 1026Cb 0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1gkk h PRO 1026CO 0.00 0.44 -0.02 0.37 -0.21 0.00 0.00 178.00 178.59 1gkk h GLN 1027N 0.60 0.71 -0.33 1.05 4.15 -1.89 -1.53 115.11 117.87 1gkk h GLN 1027Ca 0.16 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1gkk h GLN 1027Cb 0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1gkk h GLN 1027CO -0.03 0.81 0.20 0.82 -1.93 0.00 0.00 178.83 178.70 1gkk h ILE 1028N 0.53 1.11 -0.77 2.39 1.08 -1.76 -2.80 117.51 117.29 1gkk h ILE 1028Ca 0.11 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1gkk h ILE 1028Cb 0.50 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 1gkk h ILE 1028CO 0.02 0.11 0.50 -0.33 -0.69 0.00 0.00 178.15 177.77 1gkk h GLU 1029N 0.42 0.98 -1.30 2.37 4.39 -1.08 0.76 114.58 121.11 1gkk h GLU 1029Ca 0.12 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1gkk h GLU 1029Cb 0.01 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1gkk h GLU 1029CO -0.02 0.65 0.00 0.00 -1.16 0.00 0.00 179.01 178.47 1gkk n ALA 1030N -2.32 1.49 0.00 3.43 0.00 -0.59 -2.75 120.51 119.77 1gkk n ALA 1030Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1gkk n ALA 1030Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1gkk n ALA 1030CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gkk n LYS 1032N 0.77 0.00 0.10 0.00 5.02 0.26 -3.53 118.16 120.78 1gkk n LYS 1032Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1gkk n LYS 1032Cb 0.05 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 35.51 1gkk n LYS 1032CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gkk n ALA 1033N 0.00 2.04 -1.80 7.82 0.00 -1.11 -4.82 120.51 122.64 1gkk n ALA 1033Ca 0.00 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1gkk n ALA 1033Cb 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 1gkk n ALA 1033CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gkk s LEU 1034N -4.34 4.02 0.13 0.00 1.43 -1.23 -4.93 118.68 113.76 1gkk s LEU 1034Ca 0.08 1.89 0.19 0.00 -1.03 0.00 0.00 54.13 55.27 1gkk s LEU 1034Cb 0.12 -4.37 0.81 0.00 0.03 0.00 0.00 46.19 42.78 1gkk s LEU 1034CO 0.50 -0.50 1.60 -0.81 0.23 0.00 0.00 176.35 177.37 1gkk n PRO 1035N -0.42 0.10 0.23 1.29 -0.04 -1.26 -3.06 135.00 131.84 1gkk n PRO 1035Ca 0.06 0.33 0.15 0.00 -0.04 0.00 0.00 63.50 64.01 1gkk n PRO 1035Cb 0.52 -1.69 0.59 0.00 -0.04 0.00 0.00 33.50 32.88 1gkk n PRO 1035CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gkk h HIS 1036N 0.00 0.00 -3.94 0.54 3.86 -1.95 -3.43 115.15 110.24 1gkk h HIS 1036Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1gkk h HIS 1036Cb 0.32 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.47 1gkk h HIS 1036CO 0.00 0.00 -0.86 -0.06 0.86 0.00 0.00 177.93 177.87 1gkk s PHE 1037N -3.53 2.12 -0.28 2.45 0.08 -1.17 -4.83 117.98 112.82 1gkk s PHE 1037Ca 0.03 -0.63 -0.05 0.00 0.12 0.00 0.00 56.93 56.39 1gkk s PHE 1037Cb 0.09 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1gkk s PHE 1037CO 0.51 -0.20 0.04 -0.51 -0.10 0.00 0.00 175.22 174.96 1gkk s ASP 1038N -0.05 4.89 -0.32 1.36 1.01 -1.26 -4.85 116.67 117.43 1gkk s ASP 1038Ca -0.04 -0.80 -0.28 0.00 0.71 0.00 0.00 52.55 52.14 1gkk s ASP 1038Cb -0.13 -1.81 0.02 0.00 1.01 0.00 0.00 42.92 42.01 1gkk s ASP 1038CO 0.03 -0.18 1.03 -0.47 0.21 0.00 0.00 175.17 175.79 1gkk s TYR 1039N 1.43 3.15 0.00 4.23 5.04 -1.26 -1.19 117.35 128.75 1gkk s TYR 1039Ca 0.01 1.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 1gkk s TYR 1039Cb -0.17 -3.64 0.00 0.00 0.35 0.00 0.00 41.96 38.50 1gkk s TYR 1039CO 0.00 -0.75 0.00 -2.37 -1.34 0.00 0.00 175.55 171.09 1gkk n THR 1040N 5.85 0.00 1.48 4.34 5.66 0.97 -4.96 114.28 127.62 1gkk n THR 1040Ca 0.11 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.25 1gkk n THR 1040Cb 0.47 0.00 0.57 0.00 -1.55 0.00 0.00 70.33 69.83 1gkk n THR 1040CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1gkk n SER 1041N 0.00 0.88 -4.49 1.09 3.41 -0.59 -3.52 113.62 110.40 1gkk n SER 1041Ca 0.00 -1.01 -0.43 0.00 -0.26 0.00 0.00 58.87 57.17 1gkk n SER 1041Cb 0.00 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1gkk n SER 1041CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gkk s ASP 1042N -2.26 6.44 0.00 4.04 -1.08 -1.06 -4.67 116.67 118.08 1gkk s ASP 1042Ca 0.33 -1.45 0.19 0.00 -0.52 0.00 0.00 52.55 51.10 1gkk s ASP 1042Cb 0.20 -2.47 1.12 0.00 -1.46 0.00 0.00 42.92 40.31 1gkk s ASP 1042CO 0.42 -1.37 1.52 0.49 0.52 0.00 0.00 175.17 176.76 1gkk n PHE 1043N 7.82 0.00 1.02 -5.34 3.72 -1.26 -0.68 117.46 122.73 1gkk n PHE 1043Ca 0.18 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.71 1gkk n PHE 1043Cb 0.49 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.55 1gkk n PHE 1043CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1gkk n SER 1044N -0.97 0.15 0.00 4.37 3.41 -1.26 -4.23 113.62 115.08 1gkk n SER 1044Ca 0.14 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1gkk n SER 1044Cb 0.06 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1gkk n SER 1044CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1gkk n LYS 1045N -1.48 2.81 -0.16 4.33 5.02 0.14 -5.12 118.16 123.70 1gkk n LYS 1045Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1gkk n LYS 1045Cb 0.34 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1gkk n LYS 1045CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gkk n GLY 1046N 2.76 3.91 0.28 0.72 0.00 -0.45 -5.00 105.19 107.41 1gkk n GLY 1046Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1gkk n GLY 1046CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gkk n ASN 1047N -0.21 0.00 -3.67 1.61 6.94 -0.33 -4.16 115.26 115.44 1gkk n ASN 1047Ca 0.00 -1.20 -0.09 0.00 -0.02 0.00 0.00 54.58 53.28 1gkk n ASN 1047Cb 0.00 -0.04 -0.09 0.00 -2.36 0.00 0.00 39.78 37.29 1gkk n ASN 1047CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1gkk s PHE 1048N 0.00 -0.82 -0.00 -2.53 5.36 -1.07 -0.94 117.98 117.98 1gkk s PHE 1048Ca 0.00 1.65 -0.16 0.00 -0.96 0.00 0.00 56.93 57.46 1gkk s PHE 1048Cb 0.00 0.42 0.03 0.00 -0.34 0.00 0.00 43.02 43.13 1gkk s PHE 1048CO 0.00 -0.44 0.33 -0.47 -1.46 0.00 0.00 175.22 173.18 1gkk s TYR 1049N 1.69 -0.19 -0.24 10.12 5.04 -0.55 -0.02 117.35 133.20 1gkk s TYR 1049Ca -0.09 0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 54.77 1gkk s TYR 1049Cb -0.08 0.12 0.07 0.00 0.35 0.00 0.00 41.96 42.42 1gkk s TYR 1049CO -0.15 -0.43 0.06 0.12 -1.34 0.00 0.00 175.55 173.80 1gkk s PHE 1050N -1.60 1.21 -0.23 4.97 5.36 -1.26 -0.77 117.98 125.66 1gkk s PHE 1050Ca -0.12 -1.14 -0.16 0.00 -0.96 0.00 0.00 56.93 54.55 1gkk s PHE 1050Cb -0.04 -1.23 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 1gkk s PHE 1050CO 0.03 -0.71 0.43 -1.17 -1.46 0.00 0.00 175.22 172.34 1gkk s LEU 1051N 1.79 4.11 -0.24 6.12 0.20 -0.32 -4.97 118.68 125.39 1gkk s LEU 1051Ca 0.03 0.49 -0.02 0.00 0.69 0.00 0.00 54.13 55.32 1gkk s LEU 1051Cb -0.17 -2.55 0.02 0.00 -0.43 0.00 0.00 46.19 43.06 1gkk s LEU 1051CO -0.15 -0.15 -0.07 -0.69 -0.29 0.00 0.00 176.35 174.99 1gkk s VAL 1052N 1.70 2.87 -0.28 1.68 1.01 -1.26 -1.30 120.40 124.82 1gkk s VAL 1052Ca 0.19 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 1gkk s VAL 1052Cb -0.15 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1gkk s VAL 1052CO 0.09 0.28 0.77 0.00 0.00 0.00 0.00 175.10 176.24 1gkk s ALA 1053N 1.35 3.57 0.12 5.51 0.00 -0.08 -4.76 121.76 127.48 1gkk s ALA 1053Ca 0.02 -0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 1gkk s ALA 1053Cb -0.16 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1gkk s ALA 1053CO -0.05 -1.07 1.61 -2.14 0.00 0.00 0.00 175.76 174.11 1gkk s PRO 1054N 2.86 4.20 0.00 0.00 0.02 -1.26 -1.02 135.00 139.80 1gkk s PRO 1054Ca 0.32 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1gkk s PRO 1054Cb -0.15 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1gkk s PRO 1054CO 0.10 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1gkk n GLY 1055N 3.88 2.12 3.76 0.52 0.00 -1.26 -4.86 105.19 109.35 1gkk n GLY 1055Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1gkk n GLY 1055CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gkk s ALA 1056N -2.94 3.35 0.49 4.61 0.00 -1.07 -4.60 121.76 121.60 1gkk s ALA 1056Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.75 1gkk s ALA 1056Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1gkk s ALA 1056CO 0.00 0.06 0.53 0.95 0.00 0.00 0.00 175.76 177.31 1gkk s THR 1057N -1.21 2.34 -1.33 0.00 -4.23 -1.26 -1.47 115.64 108.47 1gkk s THR 1057Ca 0.43 -1.22 -0.17 0.00 -1.18 0.00 0.00 61.69 59.55 1gkk s THR 1057Cb -0.28 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.06 1gkk s THR 1057CO 0.35 0.00 1.86 1.57 -0.54 0.00 0.00 174.62 177.86 1gkk n HIS 1058N -1.85 4.33 -3.67 3.99 -0.00 -1.26 -4.75 115.22 112.01 1gkk n HIS 1058Ca 0.07 -2.83 -0.11 0.00 0.46 0.00 0.00 57.72 55.30 1gkk n HIS 1058Cb 0.62 -2.61 -0.08 0.00 -0.12 0.00 0.00 29.99 27.79 1gkk n HIS 1058CO 0.00 0.00 0.00 -0.46 0.46 0.00 0.00 176.34 176.34 1gkk s TRP 1059N 4.18 -0.74 0.58 1.57 -0.00 -1.26 -5.03 118.94 118.23 1gkk s TRP 1059Ca 0.53 1.67 0.29 0.00 -0.00 0.00 0.00 56.10 58.58 1gkk s TRP 1059Cb 0.06 0.33 1.50 0.00 -0.00 0.00 0.00 33.47 35.36 1gkk s TRP 1059CO 0.04 -0.37 1.93 -1.49 -0.00 0.00 0.00 176.95 177.07 1gkk h TRP 1060N 5.99 0.00 -0.77 5.86 4.06 -1.91 -0.84 115.95 128.34 1gkk h TRP 1060Ca -0.30 0.00 0.10 0.00 2.06 0.00 0.00 58.89 60.74 1gkk h TRP 1060Cb 1.19 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.29 1gkk h TRP 1060CO 0.28 0.00 0.50 0.78 -3.56 0.00 0.00 178.44 176.45 1gkk h GLY 1061N 0.00 0.99 0.45 1.49 0.00 -1.94 -1.62 103.07 102.43 1gkk h GLY 1061Ca 0.21 -0.29 -0.30 0.00 0.00 0.00 0.00 47.33 46.95 1gkk h GLY 1061CO -0.00 0.17 -1.61 -0.97 0.00 0.00 0.00 176.54 174.13 1gkk h TYR 1062N 0.69 0.35 -0.31 5.60 0.05 -1.48 -3.41 116.97 118.46 1gkk h TYR 1062Ca 0.35 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1gkk h TYR 1062Cb 0.45 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1gkk h TYR 1062CO -0.00 1.63 0.13 0.28 -1.05 0.00 0.00 178.16 179.15 1gkk h VAL 1063N -0.32 1.12 -0.40 -2.88 2.07 -1.02 -0.43 116.25 114.39 1gkk h VAL 1063Ca -0.36 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 66.86 1gkk h VAL 1063Cb 1.76 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1gkk h VAL 1063CO 0.01 0.14 0.27 0.08 0.02 0.00 0.00 177.57 178.09 1gkk h ARG 1064N 0.43 0.21 0.00 1.57 0.11 -1.53 -0.72 114.38 114.45 1gkk h ARG 1064Ca 0.11 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 60.06 1gkk h ARG 1064Cb 0.08 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.10 1gkk h ARG 1064CO -0.01 0.14 -0.55 0.45 0.10 0.00 0.00 179.97 180.10 1gkk h HIS 1065N 0.22 0.00 -0.95 4.08 3.86 -1.32 -2.21 115.15 118.83 1gkk h HIS 1065Ca 0.18 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1gkk h HIS 1065Cb 0.44 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.86 1gkk h HIS 1065CO -0.00 0.55 0.58 1.88 0.86 0.00 0.00 177.93 181.80 1gkk h TYR 1066N 0.00 1.24 -0.44 2.45 0.05 -1.10 0.56 116.97 119.73 1gkk h TYR 1066Ca -0.01 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1gkk h TYR 1066Cb 1.15 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 1gkk h TYR 1066CO 0.00 0.82 -0.03 0.82 -1.05 0.00 0.00 178.16 178.72 1gkk h ILE 1067N 1.30 1.27 -0.71 -2.88 2.04 -1.30 0.47 117.51 117.70 1gkk h ILE 1067Ca 0.34 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.20 1gkk h ILE 1067Cb -0.07 1.09 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1gkk h ILE 1067CO -0.07 0.37 0.38 0.22 0.00 0.00 0.00 178.15 179.06 1gkk h TYR 1068N 0.63 0.69 -0.29 1.37 3.20 -1.13 0.48 116.97 121.92 1gkk h TYR 1068Ca 0.12 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.83 1gkk h TYR 1068Cb 0.53 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1gkk h TYR 1068CO 0.04 0.29 -0.56 -0.44 -1.64 0.00 0.00 178.16 175.85 1gkk h ASP 1069N 0.67 0.99 0.22 -2.11 3.32 -0.55 -3.39 116.42 115.56 1gkk h ASP 1069Ca 0.34 -0.54 -0.35 0.00 0.02 0.00 0.00 57.03 56.50 1gkk h ASP 1069Cb 0.29 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1gkk h ASP 1069CO -0.23 1.34 -1.91 0.00 -1.72 0.00 0.00 179.24 176.72 1gkk h ALA 1070N 0.68 0.49 -0.91 3.45 0.00 -0.66 -3.40 119.26 118.91 1gkk h ALA 1070Ca 0.01 -1.39 0.08 0.00 0.00 0.00 0.00 54.91 53.62 1gkk h ALA 1070Cb 1.17 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 1gkk h ALA 1070CO 0.12 1.36 0.59 1.25 0.00 0.00 0.00 179.25 182.57 1gkk h LEU 1071N 0.06 0.86 -0.99 0.00 5.85 -1.09 0.88 115.31 120.87 1gkk h LEU 1071Ca -0.38 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1gkk h LEU 1071Cb 2.03 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1gkk h LEU 1071CO 0.09 0.53 0.00 -2.65 -0.34 0.00 0.00 178.44 176.07 1gkk n PRO 1072N -4.52 0.11 0.01 5.25 -0.02 -1.26 -1.47 135.00 133.10 1gkk n PRO 1072Ca 0.15 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1gkk n PRO 1072Cb 0.26 -1.84 0.40 0.00 -0.02 0.00 0.00 33.50 32.30 1gkk n PRO 1072CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1gkk n TYR 1073N -2.08 0.10 -3.35 6.00 4.02 0.30 -4.94 117.16 117.22 1gkk n TYR 1073Ca -0.00 0.03 -0.31 0.00 -0.01 0.00 0.00 57.90 57.60 1gkk n TYR 1073Cb 0.06 -0.42 -0.05 0.00 -0.02 0.00 0.00 39.34 38.91 1gkk n TYR 1073CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1gkk s PHE 1074N -3.02 3.43 -0.17 -0.72 0.40 -0.54 -4.56 117.98 112.80 1gkk s PHE 1074Ca 0.12 0.87 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 1gkk s PHE 1074Cb 0.17 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1gkk s PHE 1074CO 0.63 0.22 0.00 1.19 0.70 0.00 0.00 175.22 177.96 1gkk n PHE 1075N -0.35 0.00 0.08 0.36 3.72 -1.26 -4.91 117.46 115.10 1gkk n PHE 1075Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 1gkk n PHE 1075Cb 0.53 -0.64 -0.03 0.00 -0.94 0.00 0.00 39.48 38.39 1gkk n PHE 1075CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1gkk n HIS 1076N -2.85 0.84 -2.35 1.38 8.25 -1.26 -4.53 115.22 114.70 1gkk n HIS 1076Ca -0.02 0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 57.27 1gkk n HIS 1076Cb 0.10 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.27 1gkk n HIS 1076CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1gkk s GLU 1077N -3.32 4.34 -1.77 -0.41 0.41 -1.26 -2.28 118.70 114.41 1gkk s GLU 1077Ca -0.02 1.83 0.00 0.00 -0.41 0.00 0.00 54.97 56.37 1gkk s GLU 1077Cb 0.10 -3.51 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1gkk s GLU 1077CO 0.81 -0.46 0.00 1.28 -0.49 0.00 0.00 175.26 176.40 1gkk n LEU 1078N 4.98 -1.77 -4.77 1.80 4.77 -1.26 -4.97 117.00 115.78 1gkk n LEU 1078Ca 0.11 0.10 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 1gkk n LEU 1078Cb 0.45 -2.82 0.08 0.00 -2.33 0.00 0.00 43.42 38.80 1gkk n LEU 1078CO 0.57 -0.36 0.71 -1.83 -1.33 0.00 0.00 177.39 175.15 1gkk s GLU 1079N -4.79 2.38 0.00 3.23 -1.05 -0.97 -4.93 118.70 112.57 1gkk s GLU 1079Ca 0.00 1.26 0.26 0.00 -0.15 0.00 0.00 54.97 56.33 1gkk s GLU 1079Cb 0.00 -1.91 0.61 0.00 -0.44 0.00 0.00 34.13 32.40 1gkk s GLU 1079CO 0.00 -1.56 1.48 0.72 0.95 0.00 0.00 175.26 176.85 1gkk n HIS 1080N -3.19 0.00 -2.13 4.83 8.25 -1.26 -4.83 115.22 116.89 1gkk n HIS 1080Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 1gkk n HIS 1080Cb 0.53 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1gkk n HIS 1080CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1gkk s HIS 1081N -2.79 3.59 -0.71 4.41 3.76 -1.26 -5.01 115.29 117.28 1gkk s HIS 1081Ca 0.17 1.18 -0.15 0.00 -0.15 0.00 0.00 55.06 56.11 1gkk s HIS 1081Cb 0.18 -2.62 0.17 0.00 1.11 0.00 0.00 32.58 31.43 1gkk s HIS 1081CO 0.62 -0.55 0.68 -1.58 -0.85 0.00 0.00 174.74 173.07 1gkk s HIS 1082N -3.00 3.50 0.11 1.40 2.46 -1.26 -5.02 115.29 113.47 1gkk s HIS 1082Ca 0.53 -1.64 0.08 0.00 0.47 0.00 0.00 55.06 54.51 1gkk s HIS 1082Cb -0.11 -3.85 -0.04 0.00 -0.13 0.00 0.00 32.58 28.46 1gkk s HIS 1082CO 0.49 -1.04 -0.20 -1.01 -2.47 0.00 0.00 174.74 170.51 1gkk s HIS 1083N 0.97 1.77 -0.25 3.88 4.02 -1.26 -5.12 115.29 119.30 1gkk s HIS 1083Ca 0.13 -0.43 -0.04 0.00 1.02 0.00 0.00 55.06 55.74 1gkk s HIS 1083Cb -0.18 -0.96 0.01 0.00 -1.02 0.00 0.00 32.58 30.43 1gkk s HIS 1083CO -0.04 0.22 -0.02 -1.01 1.02 0.00 0.00 174.74 174.91 1gkk s HIS 1084N -1.30 3.05 0.00 1.40 3.76 -1.26 -5.15 115.29 115.79 1gkk s HIS 1084Ca 0.07 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1gkk s HIS 1084Cb -0.09 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.47 1gkk s HIS 1084CO 0.04 -0.63 0.49 0.72 -0.85 0.00 0.00 174.74 174.51