#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkk n PHE 804 N 0.00 2.08 -4.11 0.66 7.35 -1.26 -5.03 117.46 117.14 1gkk n PHE 804 Ca 0.00 0.52 -0.19 0.00 -0.76 0.00 0.00 57.45 57.02 1gkk n PHE 804 Cb 0.00 -2.41 -0.16 0.00 0.35 0.00 0.00 39.48 37.26 1gkk n PHE 804 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1gkk s LYS 805 N -1.13 0.68 0.39 -4.13 -0.14 -1.26 -4.42 119.74 109.73 1gkk s LYS 805 Ca 0.62 -0.06 -0.27 0.00 -1.36 0.00 0.00 55.97 54.89 1gkk s LYS 805 Cb -0.63 -0.72 -0.10 0.00 -1.68 0.00 0.00 37.83 34.70 1gkk s LYS 805 CO 0.56 -0.08 1.40 0.71 -0.76 0.00 0.00 175.35 177.18 1gkk s TYR 806 N 0.88 2.70 0.18 3.18 2.02 0.15 -5.04 117.35 121.43 1gkk s TYR 806 Ca -0.11 1.29 0.07 0.00 -0.37 0.00 0.00 57.07 57.95 1gkk s TYR 806 Cb -0.14 -3.86 -0.04 0.00 -0.40 0.00 0.00 41.96 37.52 1gkk s TYR 806 CO -0.00 -2.56 0.01 -1.21 -1.57 0.00 0.00 175.55 170.21 1gkk s GLU 807 N -2.14 2.42 0.27 -0.62 2.02 -1.26 -4.97 118.70 114.43 1gkk s GLU 807 Ca 0.54 -1.13 0.23 0.00 0.02 0.00 0.00 54.97 54.63 1gkk s GLU 807 Cb -0.43 -2.35 0.11 0.00 0.10 0.00 0.00 34.13 31.56 1gkk s GLU 807 CO 0.57 0.45 1.22 0.66 0.02 0.00 0.00 175.26 178.17 1gkk h SER 808 N 2.58 0.00 -1.75 -0.19 4.64 -1.95 -2.65 113.55 114.23 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 1.21 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.94 1gkk h SER 808 CO 0.58 0.00 -1.06 0.00 -0.87 0.00 0.00 176.83 175.49 1gkk n ALA 809 N -2.15 1.86 -1.72 5.18 0.00 -1.26 -1.54 120.51 120.88 1gkk n ALA 809 Ca 0.01 -3.16 -0.42 0.00 0.00 0.00 0.00 53.44 49.87 1gkk n ALA 809 Cb 0.54 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 1.05 1.86 -4.05 0.00 3.14 -1.26 -4.99 118.33 114.08 1gkk n VAL 810 Ca 0.21 -0.46 -0.26 0.00 -2.96 0.00 0.00 64.34 60.87 1gkk n VAL 810 Cb 0.58 -1.68 -0.05 0.00 -1.06 0.00 0.00 33.84 31.64 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 -1.73 3.06 0.26 1.45 -1.52 -1.26 -4.95 119.66 114.97 1gkk s GLN 811 Ca 0.56 -0.82 -0.31 0.00 -1.95 0.00 0.00 55.36 52.85 1gkk s GLN 811 Cb -0.55 -2.73 -0.12 0.00 -0.22 0.00 0.00 33.01 29.40 1gkk s GLN 811 CO 0.61 0.48 1.65 -0.47 -0.25 0.00 0.00 175.29 177.31 1gkk s TYR 812 N -1.80 2.80 -0.22 0.91 5.04 -1.26 -4.99 117.35 117.84 1gkk s TYR 812 Ca 0.32 0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 55.51 1gkk s TYR 812 Cb -0.10 -4.10 0.11 0.00 0.35 0.00 0.00 41.96 38.22 1gkk s TYR 812 CO 0.25 -3.90 0.40 0.50 -1.34 0.00 0.00 175.55 171.47 1gkk s ARG 813 N 0.13 0.33 0.60 4.97 3.52 -1.26 -5.03 118.95 122.22 1gkk s ARG 813 Ca 0.68 0.83 -0.18 0.00 -0.13 0.00 0.00 55.73 56.93 1gkk s ARG 813 Cb -0.49 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.89 1gkk s ARG 813 CO 0.42 -0.42 1.15 -1.25 -0.81 0.00 0.00 175.30 174.39 1gkk s PRO 814 N 2.59 3.00 0.56 5.12 0.04 -1.26 -4.73 135.00 140.31 1gkk s PRO 814 Ca 0.05 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 1gkk s PRO 814 Cb -0.13 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1gkk s PRO 814 CO -0.14 -1.14 1.27 0.00 0.04 0.00 0.00 177.00 177.03 1gkk s ALA 815 N -1.90 2.70 0.63 8.56 0.00 -1.26 -4.94 121.76 125.55 1gkk s ALA 815 Ca 0.72 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1gkk s ALA 815 Cb -0.25 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1gkk s ALA 815 CO 0.34 -1.21 0.90 -2.30 0.00 0.00 0.00 175.76 173.49 1gkk n PRO 816 N -1.22 0.75 -0.06 0.00 -0.02 -1.26 -4.84 135.00 128.35 1gkk n PRO 816 Ca 0.12 0.30 0.17 0.00 -2.02 0.00 0.00 63.50 62.06 1gkk n PRO 816 Cb 0.47 -2.11 0.60 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 0.26 0.18 0.23 2.55 3.32 -2.03 0.76 116.42 121.69 1gkk h ASP 817 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1gkk h ASP 817 Cb 1.36 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 1gkk h ASP 817 CO 0.49 0.10 -0.02 0.77 -1.72 0.00 0.00 179.24 178.86 1gkk h SER 818 N 0.20 0.00 0.87 6.45 4.64 -1.97 -1.36 113.55 122.37 1gkk h SER 818 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1gkk h SER 818 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1gkk h SER 818 CO -0.05 0.02 0.00 -1.22 -0.87 0.00 0.00 176.83 174.71 1gkk n TYR 819 N -3.31 0.46 1.31 4.77 4.02 0.26 -2.72 117.16 121.95 1gkk n TYR 819 Ca -0.02 0.16 0.14 0.00 -0.01 0.00 0.00 57.90 58.17 1gkk n TYR 819 Cb 0.14 -0.76 0.55 0.00 -0.02 0.00 0.00 39.34 39.25 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 -1.90 0.49 -4.94 7.72 4.77 -0.51 -2.90 117.00 119.73 1gkk n LEU 820 Ca 0.04 0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.77 1gkk n LEU 820 Cb 0.27 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1gkk n LEU 820 CO 0.21 0.10 -0.07 0.20 -1.33 0.00 0.00 177.39 176.50 1gkk s ASN 821 N -2.57 6.35 0.32 -1.43 0.01 -1.10 -4.91 114.94 111.61 1gkk s ASN 821 Ca 0.25 0.23 -0.29 0.00 -0.71 0.00 0.00 52.86 52.35 1gkk s ASN 821 Cb 0.20 -1.94 -0.13 0.00 0.41 0.00 0.00 41.25 39.79 1gkk s ASN 821 CO 0.51 0.04 1.31 -2.65 -1.51 0.00 0.00 177.10 174.80 1gkk n PRO 822 N -0.51 2.11 -3.87 -0.60 -0.02 -1.26 -4.86 135.00 125.99 1gkk n PRO 822 Ca -0.06 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.80 1gkk n PRO 822 Cb 0.54 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 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 4.62 0.00 -3.00 0.00 0.11 -1.97 -3.22 132.00 128.54 1gkk h PRO 824 Ca -0.53 0.00 -0.79 0.00 0.11 0.00 0.00 66.00 64.79 1gkk h PRO 824 Cb 1.22 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 1gkk h PRO 824 CO 0.61 0.09 1.39 1.04 -0.21 0.00 0.00 178.00 180.92 1gkk n GLN 825 N -3.64 4.33 -2.94 1.05 6.02 -1.26 -5.00 117.38 115.94 1gkk n GLN 825 Ca -0.02 -4.12 -0.41 0.00 -0.01 0.00 0.00 57.00 52.44 1gkk n GLN 825 Cb 0.20 -2.65 -0.04 0.00 1.02 0.00 0.00 30.24 28.77 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 -1.78 3.35 0.68 -1.58 0.00 -1.22 -4.64 121.76 116.58 1gkk s ALA 826 Ca 0.37 0.19 -0.15 0.00 0.00 0.00 0.00 51.96 52.36 1gkk s ALA 826 Cb 0.10 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1gkk s ALA 826 CO 0.03 -0.28 1.15 0.20 0.00 0.00 0.00 175.76 176.86 1gkk s GLY 827 N 0.94 2.25 -0.04 0.00 0.00 -1.26 -4.55 107.32 104.65 1gkk s GLY 827 Ca 0.41 0.68 -0.20 0.00 0.00 0.00 0.00 44.72 45.61 1gkk s GLY 827 CO 0.19 1.06 0.57 -1.60 0.00 0.00 0.00 173.10 173.31 1gkk s ARG 828 N -3.99 4.32 -0.24 2.90 3.52 -0.84 -4.85 118.95 119.78 1gkk s ARG 828 Ca 0.70 0.65 -0.06 0.00 -0.13 0.00 0.00 55.73 56.89 1gkk s ARG 828 Cb -0.24 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1gkk s ARG 828 CO 0.42 0.29 0.03 0.42 -0.81 0.00 0.00 175.30 175.65 1gkk s ILE 829 N 0.12 3.99 -0.20 4.11 1.01 -1.26 -0.71 121.20 128.26 1gkk s ILE 829 Ca 0.30 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.62 1gkk s ILE 829 Cb -0.17 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1gkk s ILE 829 CO 0.15 0.37 -0.01 -0.69 0.00 0.00 0.00 174.94 174.76 1gkk s VAL 830 N 1.52 3.80 -0.15 2.92 1.01 0.53 -4.91 120.40 125.11 1gkk s VAL 830 Ca 0.06 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 1gkk s VAL 830 Cb -0.15 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1gkk s VAL 830 CO 0.01 0.43 0.89 -0.75 0.00 0.00 0.00 175.10 175.68 1gkk s LYS 831 N 1.11 4.33 0.16 2.72 2.47 -1.26 -0.71 119.74 128.57 1gkk s LYS 831 Ca 0.02 1.14 0.11 0.00 -1.56 0.00 0.00 55.97 55.68 1gkk s LYS 831 Cb -0.14 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 1gkk s LYS 831 CO 0.01 -0.33 -0.25 -1.21 0.16 0.00 0.00 175.35 173.73 1gkk s GLU 832 N 2.14 1.43 -0.03 4.03 0.41 -0.10 -5.00 118.70 121.59 1gkk s GLU 832 Ca 0.42 -1.42 0.03 0.00 -0.41 0.00 0.00 54.97 53.58 1gkk s GLU 832 Cb -0.17 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 1gkk s GLU 832 CO 0.14 0.41 -0.10 0.99 -0.49 0.00 0.00 175.26 176.21 1gkk s THR 833 N -1.39 0.86 0.17 3.63 2.01 -1.26 -1.25 115.64 118.41 1gkk s THR 833 Ca 0.17 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 1gkk s THR 833 Cb -0.09 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1gkk s THR 833 CO 0.08 0.26 0.22 -0.72 -0.69 0.00 0.00 174.62 173.77 1gkk s TYR 834 N 0.15 0.65 -0.09 4.92 1.13 0.06 -4.99 117.35 119.18 1gkk s TYR 834 Ca -0.03 -0.99 0.04 0.00 -1.41 0.00 0.00 57.07 54.68 1gkk s TYR 834 Cb -0.09 -0.23 -0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1gkk s TYR 834 CO 0.01 -0.69 -0.24 0.99 -2.51 0.00 0.00 175.55 173.11 1gkk s THR 835 N -4.03 2.06 0.00 -3.49 2.01 -1.26 -0.79 115.64 110.13 1gkk s THR 835 Ca 0.24 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1gkk s THR 835 Cb 0.05 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.78 1gkk s THR 835 CO 0.04 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 1gkk n GLY 836 N 3.41 4.93 0.29 4.40 0.00 -0.67 -4.96 105.19 112.58 1gkk n GLY 836 Ca -0.19 -1.33 0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.47 -0.61 3.07 -1.97 -1.29 117.51 116.25 1gkk h ILE 837 Ca 0.00 -0.25 -0.07 0.00 1.55 0.00 0.00 64.86 66.08 1gkk h ILE 837 Cb 0.00 1.20 -0.04 0.00 -0.27 0.00 0.00 36.82 37.71 1gkk h ILE 837 CO 0.00 0.00 0.06 0.59 -1.05 0.00 0.00 178.15 177.75 1gkk n ASN 838 N -2.97 4.46 0.00 2.16 3.02 -1.26 -4.87 115.26 115.80 1gkk n ASN 838 Ca -0.01 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 51.42 1gkk n ASN 838 Cb 0.19 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 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 -0.21 -1.82 3.68 7.41 0.00 -0.49 -3.77 105.19 110.00 1gkk n GLY 839 Ca 0.29 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 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 4.57 0.20 2.61 2.01 -1.26 -1.68 115.64 122.09 1gkk s THR 840 Ca 0.00 1.86 -0.02 0.00 0.31 0.00 0.00 61.69 63.84 1gkk s THR 840 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1gkk s THR 840 CO 0.00 -0.04 0.16 -0.54 -0.69 0.00 0.00 174.62 173.51 1gkk s LYS 841 N 2.39 1.20 0.31 4.92 1.02 0.03 -4.98 119.74 124.63 1gkk s LYS 841 Ca 0.50 -1.56 0.08 0.00 0.02 0.00 0.00 55.97 55.02 1gkk s LYS 841 Cb -0.20 0.29 -0.06 0.00 -0.52 0.00 0.00 37.83 37.34 1gkk s LYS 841 CO 0.17 -0.40 -0.08 -1.12 -0.92 0.00 0.00 175.35 172.99 1gkk s SER 842 N -3.13 3.22 0.21 2.83 0.01 -1.26 -0.76 113.70 114.83 1gkk s SER 842 Ca 0.35 -1.18 -0.17 0.00 1.31 0.00 0.00 55.95 56.26 1gkk s SER 842 Cb 0.06 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1gkk s SER 842 CO 0.10 -0.26 0.54 -1.48 0.41 0.00 0.00 173.24 172.55 1gkk s LEU 843 N -3.52 0.08 -0.01 2.44 0.05 -0.38 -4.32 118.68 113.03 1gkk s LEU 843 Ca 0.31 -0.58 0.04 0.00 0.05 0.00 0.00 54.13 53.95 1gkk s LEU 843 Cb 0.03 2.15 -0.03 0.00 -2.05 0.00 0.00 46.19 46.29 1gkk s LEU 843 CO 0.14 -1.11 -0.11 0.20 -0.55 0.00 0.00 176.35 174.92 1gkk s ASN 844 N -2.90 4.30 -0.23 1.48 0.01 -0.73 -0.92 114.94 115.95 1gkk s ASN 844 Ca 0.12 -0.21 -0.00 0.00 -0.71 0.00 0.00 52.86 52.06 1gkk s ASN 844 Cb -0.02 -0.93 0.03 0.00 0.41 0.00 0.00 41.25 40.74 1gkk s ASN 844 CO 0.01 0.30 -0.11 -0.69 -1.51 0.00 0.00 177.10 175.10 1gkk s VAL 845 N -0.90 2.59 -0.23 1.60 1.01 0.11 -0.72 120.40 123.87 1gkk s VAL 845 Ca 0.15 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 1gkk s VAL 845 Cb -0.11 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1gkk s VAL 845 CO 0.05 0.29 0.71 -0.47 0.00 0.00 0.00 175.10 175.68 1gkk s TYR 846 N 1.30 3.33 -0.12 5.22 6.14 0.84 -0.35 117.35 133.71 1gkk s TYR 846 Ca 0.01 0.99 -0.05 0.00 0.64 0.00 0.00 57.07 58.66 1gkk s TYR 846 Cb -0.16 -2.91 -0.04 0.00 0.42 0.00 0.00 41.96 39.27 1gkk s TYR 846 CO -0.07 -0.30 0.08 -0.51 0.64 0.00 0.00 175.55 175.39 1gkk s LEU 847 N 2.41 3.99 0.69 6.97 1.43 0.12 -1.75 118.68 132.54 1gkk s LEU 847 Ca 0.31 0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 1gkk s LEU 847 Cb -0.16 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1gkk s LEU 847 CO 0.09 0.36 1.09 -2.16 0.23 0.00 0.00 176.35 175.96 1gkk s PRO 848 N -0.72 2.70 0.26 1.29 0.04 -1.25 -1.99 135.00 135.32 1gkk s PRO 848 Ca 0.12 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 62.09 1gkk s PRO 848 Cb -0.12 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1gkk s PRO 848 CO 0.03 -1.31 1.64 -0.47 0.04 0.00 0.00 177.00 176.93 1gkk s TYR 849 N -2.63 2.81 0.00 0.56 5.04 -1.26 -1.13 117.35 120.73 1gkk s TYR 849 Ca 0.63 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.87 1gkk s TYR 849 Cb -0.18 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.03 1gkk s TYR 849 CO 0.48 -3.88 0.00 0.41 -1.34 0.00 0.00 175.55 171.22 1gkk n GLY 850 N 2.87 0.76 3.62 8.97 0.00 -1.26 -4.99 105.19 115.16 1gkk n GLY 850 Ca 0.11 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.07 1.40 -3.90 1.61 9.36 -0.28 -4.94 117.16 118.33 1gkk n TYR 851 Ca 0.00 0.85 -0.30 0.00 3.32 0.00 0.00 57.90 61.78 1gkk n TYR 851 Cb 0.00 -2.26 -0.16 0.00 -0.63 0.00 0.00 39.34 36.29 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 1.45 3.63 0.00 2.98 -1.08 -1.26 -5.02 116.67 117.36 1gkk s ASP 852 Ca 0.93 -1.08 0.08 0.00 -0.52 0.00 0.00 52.55 51.96 1gkk s ASP 852 Cb -1.19 -1.06 0.39 0.00 -1.46 0.00 0.00 42.92 39.60 1gkk s ASP 852 CO 0.61 -0.24 1.15 -0.81 0.52 0.00 0.00 175.17 176.39 1gkk n PRO 853 N 4.75 0.09 -0.35 4.34 -0.05 -1.26 -0.99 135.00 141.53 1gkk n PRO 853 Ca -0.11 0.25 0.11 0.00 -0.05 0.00 0.00 63.50 63.69 1gkk n PRO 853 Cb 0.45 -1.50 0.30 0.00 -0.05 0.00 0.00 33.50 32.70 1gkk n PRO 853 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 175.50 173.74 1gkk n ASN 854 N -1.33 3.63 -4.80 3.54 2.85 -1.26 -4.75 115.26 113.13 1gkk n ASN 854 Ca 0.03 -2.00 -0.22 0.00 -0.11 0.00 0.00 54.58 52.28 1gkk n ASN 854 Cb 0.07 -0.45 -0.05 0.00 1.24 0.00 0.00 39.78 40.59 1gkk n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1gkk s LYS 855 N -1.10 2.52 -0.10 1.20 1.02 -0.16 -5.13 119.74 117.99 1gkk s LYS 855 Ca 0.45 -1.47 0.01 0.00 0.02 0.00 0.00 55.97 54.98 1gkk s LYS 855 Cb 0.24 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 1gkk s LYS 855 CO 0.31 0.03 -0.12 0.15 -0.92 0.00 0.00 175.35 174.80 1gkk s LYS 856 N -3.96 3.05 0.03 1.68 1.02 -1.26 -4.76 119.74 115.55 1gkk s LYS 856 Ca 0.41 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.83 1gkk s LYS 856 Cb -0.03 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1gkk s LYS 856 CO 0.25 0.40 -0.26 0.71 -0.92 0.00 0.00 175.35 175.54 1gkk s TYR 857 N -0.14 2.35 0.77 3.18 1.51 -0.46 -4.90 117.35 119.66 1gkk s TYR 857 Ca -0.00 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.53 1gkk s TYR 857 Cb -0.13 -1.42 0.06 0.00 -0.11 0.00 0.00 41.96 40.35 1gkk s TYR 857 CO 0.03 0.10 1.12 -0.80 -1.11 0.00 0.00 175.55 174.89 1gkk s ASN 858 N -1.11 4.27 -0.02 2.29 0.01 -1.26 -3.63 114.94 115.49 1gkk s ASN 858 Ca 0.12 2.00 0.01 0.00 -0.71 0.00 0.00 52.86 54.27 1gkk s ASN 858 Cb -0.10 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1gkk s ASN 858 CO 0.02 -2.19 -0.03 -0.51 -1.51 0.00 0.00 177.10 172.87 1gkk s ILE 859 N -2.62 0.38 -0.13 0.60 2.07 -0.82 -1.00 121.20 119.68 1gkk s ILE 859 Ca 0.65 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 1gkk s ILE 859 Cb -0.20 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 42.01 1gkk s ILE 859 CO 0.52 0.16 -0.12 0.12 -1.91 0.00 0.00 174.94 173.71 1gkk s PHE 860 N 0.56 1.90 -0.16 3.50 5.36 -0.36 -0.83 117.98 127.94 1gkk s PHE 860 Ca -0.06 -1.00 -0.11 0.00 -0.96 0.00 0.00 56.93 54.80 1gkk s PHE 860 Cb -0.10 -1.44 -0.05 0.00 -0.34 0.00 0.00 43.02 41.10 1gkk s PHE 860 CO -0.00 -0.58 0.19 0.71 -1.46 0.00 0.00 175.22 174.08 1gkk s TYR 861 N 1.45 3.48 0.30 10.12 1.51 -0.31 -1.02 117.35 132.88 1gkk s TYR 861 Ca 0.02 0.48 0.03 0.00 -1.01 0.00 0.00 57.07 56.59 1gkk s TYR 861 Cb -0.13 -2.16 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1gkk s TYR 861 CO -0.08 0.40 0.14 -1.17 -1.11 0.00 0.00 175.55 173.73 1gkk s LEU 862 N -0.02 1.68 0.41 -1.29 2.96 0.21 -0.53 118.68 122.11 1gkk s LEU 862 Ca 0.13 -1.51 0.03 0.00 -0.22 0.00 0.00 54.13 52.56 1gkk s LEU 862 Cb -0.12 0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.66 1gkk s LEU 862 CO 0.02 -0.84 0.07 -1.38 -1.32 0.00 0.00 176.35 172.90 1gkk s HIS 864 N -3.63 1.91 0.37 5.38 -3.43 -1.26 -4.03 115.29 110.60 1gkk s HIS 864 Ca 0.36 -1.08 0.04 0.00 -0.80 0.00 0.00 55.06 53.58 1gkk s HIS 864 Cb 0.06 -1.35 0.07 0.00 -1.43 0.00 0.00 32.58 29.92 1gkk s HIS 864 CO 0.16 -0.04 0.51 0.41 -2.00 0.00 0.00 174.74 173.79 1gkk n GLY 865 N -0.95 1.57 3.77 -1.38 0.00 -1.20 -2.11 105.19 104.89 1gkk n GLY 865 Ca -0.08 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1gkk n GLY 865 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gkk s GLY 866 N -3.70 2.71 0.00 -0.02 0.00 -1.26 -1.98 107.32 103.07 1gkk s GLY 866 Ca 0.37 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.69 1gkk s GLY 866 CO 0.24 2.36 0.00 0.61 0.00 0.00 0.00 173.10 176.31 1gkk n GLY 867 N 0.90 1.17 0.73 0.20 0.00 -1.26 -5.00 105.19 101.93 1gkk n GLY 867 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 0.95 -3.78 1.61 1.02 -0.84 -5.15 120.64 112.45 1gkk n GLU 868 Ca 0.00 -0.58 -0.11 0.00 -0.02 0.00 0.00 57.16 56.45 1gkk n GLU 868 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 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 -2.83 -1.86 0.11 1.62 0.23 -1.26 -4.92 115.26 106.34 1gkk n ASN 869 Ca 0.03 -2.67 0.08 0.00 -0.53 0.00 0.00 54.58 51.49 1gkk n ASN 869 Cb 0.11 3.21 0.41 0.00 -2.08 0.00 0.00 39.78 41.43 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 -0.54 0.11 0.00 -3.83 0.00 -1.26 -1.78 120.64 113.35 1gkk n GLU 870 Ca -0.05 0.53 0.11 0.00 0.00 0.00 0.00 57.16 57.75 1gkk n GLU 870 Cb 0.57 -1.80 -0.06 0.00 0.00 0.00 0.00 31.44 30.16 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 -2.02 0.71 -0.06 -1.84 3.02 -1.26 -4.37 115.26 109.45 1gkk n ASN 871 Ca 0.00 -0.60 -0.09 0.00 -0.03 0.00 0.00 54.58 53.86 1gkk n ASN 871 Cb 0.08 1.02 -0.02 0.00 -0.61 0.00 0.00 39.78 40.25 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 0.00 0.95 0.00 3.41 2.02 -1.76 -2.19 112.91 115.34 1gkk h THR 872 Ca 0.00 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1gkk h THR 872 Cb 0.62 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1gkk h THR 872 CO 0.00 0.04 -0.17 0.40 0.37 0.00 0.00 175.52 176.15 1gkk h ILE 873 N 0.20 0.98 -0.53 3.11 2.04 -1.82 -1.28 117.51 120.20 1gkk h ILE 873 Ca 0.10 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1gkk h ILE 873 Cb 0.06 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1gkk h ILE 873 CO -0.10 0.17 0.00 0.49 0.00 0.00 0.00 178.15 178.71 1gkk n PHE 874 N -4.12 0.71 -1.95 1.37 3.72 -1.17 -2.24 117.46 113.78 1gkk n PHE 874 Ca -0.02 -0.46 -0.29 0.00 -0.05 0.00 0.00 57.45 56.63 1gkk n PHE 874 Cb 0.25 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.89 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 -1.04 4.20 0.17 4.37 1.04 -0.48 -4.67 113.70 117.30 1gkk s SER 875 Ca 0.37 0.61 0.16 0.00 0.48 0.00 0.00 55.95 57.57 1gkk s SER 875 Cb 0.20 -1.01 0.76 0.00 0.10 0.00 0.00 66.02 66.07 1gkk s SER 875 CO 0.26 -2.07 1.49 0.59 0.98 0.00 0.00 173.24 174.49 1gkk n ASN 876 N -3.38 0.36 0.02 7.02 3.02 -1.26 -1.12 115.26 119.93 1gkk n ASN 876 Ca 0.10 0.63 0.14 0.00 -0.03 0.00 0.00 54.58 55.42 1gkk n ASN 876 Cb 0.61 -0.69 0.57 0.00 -0.61 0.00 0.00 39.78 39.65 1gkk n ASN 876 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1gkk n ASP 877 N -1.95 0.19 0.02 6.41 8.00 -1.26 -4.53 116.55 123.44 1gkk n ASP 877 Ca 0.01 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1gkk n ASP 877 Cb 0.10 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 -1.68 0.05 -2.98 2.53 0.31 -0.76 -4.73 118.33 111.07 1gkk n VAL 878 Ca 0.07 0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 1gkk n VAL 878 Cb 0.36 -0.76 0.04 0.00 -0.91 0.00 0.00 33.84 32.56 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 -2.76 -4.60 0.09 5.55 5.02 -0.28 -4.90 118.16 116.28 1gkk n LYS 879 Ca 0.00 0.79 0.08 0.00 -2.02 0.00 0.00 58.31 57.16 1gkk n LYS 879 Cb 0.11 -5.42 0.54 0.00 -0.02 0.00 0.00 35.03 30.24 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 -1.35 0.23 -1.98 -0.35 5.85 -1.73 -1.74 115.31 114.24 1gkk h LEU 880 Ca -0.47 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1gkk h LEU 880 Cb 1.32 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1gkk h LEU 880 CO 0.50 0.16 0.07 0.06 -0.34 0.00 0.00 178.44 178.88 1gkk h GLN 881 N 0.27 0.02 -0.33 1.25 -0.00 -1.91 -0.91 115.11 113.50 1gkk h GLN 881 Ca 0.12 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.66 1gkk h GLN 881 Cb 0.13 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.60 1gkk h GLN 881 CO -0.02 0.01 -0.21 -0.91 -0.00 0.00 0.00 178.83 177.70 1gkk h ASN 882 N 0.02 0.75 -0.14 0.06 2.35 -1.57 0.35 115.58 117.40 1gkk h ASN 882 Ca 0.04 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1gkk h ASN 882 Cb 0.15 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1gkk h ASN 882 CO -0.00 1.02 0.07 0.40 -1.65 0.00 0.00 177.43 177.27 1gkk h ILE 883 N 0.49 1.09 -0.40 2.81 2.04 -1.22 -1.21 117.51 121.11 1gkk h ILE 883 Ca 0.07 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1gkk h ILE 883 Cb 0.76 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1gkk h ILE 883 CO 0.06 0.09 0.07 -0.07 0.00 0.00 0.00 178.15 178.30 1gkk h LEU 884 N 0.12 -0.01 0.31 1.44 3.38 -1.11 0.02 115.31 119.46 1gkk h LEU 884 Ca 0.05 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1gkk h LEU 884 Cb 0.07 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1gkk h LEU 884 CO -0.01 0.03 -0.15 0.44 0.09 0.00 0.00 178.44 178.85 1gkk h ASP 885 N 0.20 -0.35 -0.72 -0.43 3.32 -0.74 -0.70 116.42 117.00 1gkk h ASP 885 Ca 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1gkk h ASP 885 Cb 0.24 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1gkk h ASP 885 CO -0.26 -0.24 0.35 0.45 -1.72 0.00 0.00 179.24 177.82 1gkk h HIS 886 N -0.43 1.04 -0.59 4.55 3.86 -1.09 -3.03 115.15 119.46 1gkk h HIS 886 Ca -0.04 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 1gkk h HIS 886 Cb 0.33 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1gkk h HIS 886 CO -0.05 0.76 0.09 0.00 0.86 0.00 0.00 177.93 179.59 1gkk h ALA 887 N 1.17 0.78 0.00 2.45 0.00 -0.79 -0.82 119.26 122.06 1gkk h ALA 887 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gkk h ALA 887 Cb 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1gkk h ALA 887 CO -0.03 0.54 0.00 -0.89 0.00 0.00 0.00 179.25 178.87 1gkk n ILE 888 N -4.30 0.29 0.00 0.00 5.41 -0.29 -1.24 119.36 119.23 1gkk n ILE 888 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1gkk n ILE 888 Cb 0.28 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 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 0.74 0.00 0.00 4.38 5.03 -0.31 -4.58 115.26 120.51 1gkk n ASN 890 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1gkk n ASN 890 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 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 0.52 0.16 7.41 0.00 -0.92 -4.90 105.19 107.45 1gkk n GLY 891 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 1.11 0.00 -3.82 1.61 5.08 -1.42 -3.40 114.58 113.73 1gkk h GLU 892 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1gkk h GLU 892 Cb 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.91 1gkk h GLU 892 CO 0.00 0.40 -0.76 -1.17 -1.00 0.00 0.00 179.01 176.48 1gkk s LEU 893 N -6.44 1.14 0.34 1.33 2.96 -1.09 -4.76 118.68 112.17 1gkk s LEU 893 Ca 0.04 -0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 53.61 1gkk s LEU 893 Cb 0.07 -0.32 -0.09 0.00 0.50 0.00 0.00 46.19 46.34 1gkk s LEU 893 CO 0.73 -0.10 1.18 -1.61 -1.32 0.00 0.00 176.35 175.23 1gkk s GLU 894 N 1.11 4.36 0.33 1.98 2.02 -1.26 -4.11 118.70 123.13 1gkk s GLU 894 Ca -0.08 1.94 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 1gkk s GLU 894 Cb -0.14 -2.98 -0.12 0.00 0.10 0.00 0.00 34.13 31.00 1gkk s GLU 894 CO -0.01 -0.08 1.40 -0.35 0.02 0.00 0.00 175.26 176.23 1gkk n PRO 895 N 0.69 2.33 -3.91 0.39 -0.04 -1.26 -4.98 135.00 128.21 1gkk n PRO 895 Ca 0.01 0.82 -0.09 0.00 -0.04 0.00 0.00 63.50 64.20 1gkk n PRO 895 Cb 0.44 -2.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.38 1gkk n PRO 895 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1gkk s LEU 896 N -1.05 0.15 -0.07 1.53 2.34 -1.26 -4.53 118.68 115.79 1gkk s LEU 896 Ca 0.58 -0.76 -0.14 0.00 0.06 0.00 0.00 54.13 53.87 1gkk s LEU 896 Cb -0.55 2.06 -0.05 0.00 -0.56 0.00 0.00 46.19 47.09 1gkk s LEU 896 CO 0.59 -1.17 0.35 -0.63 -1.06 0.00 0.00 176.35 174.43 1gkk s ILE 897 N -3.96 5.19 -0.12 1.48 1.01 -0.17 -3.93 121.20 120.70 1gkk s ILE 897 Ca 0.17 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.52 1gkk s ILE 897 Cb -0.02 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1gkk s ILE 897 CO 0.06 0.50 -0.16 -0.69 0.00 0.00 0.00 174.94 174.65 1gkk s VAL 898 N -0.45 1.62 -0.09 2.92 1.01 -0.72 -1.23 120.40 123.47 1gkk s VAL 898 Ca 0.21 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1gkk s VAL 898 Cb -0.15 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1gkk s VAL 898 CO 0.09 0.47 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 1gkk s VAL 899 N 1.02 2.97 -0.43 2.92 1.01 -0.19 -0.11 120.40 127.57 1gkk s VAL 899 Ca -0.05 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1gkk s VAL 899 Cb -0.15 -2.19 0.12 0.00 0.00 0.00 0.00 36.38 34.15 1gkk s VAL 899 CO -0.03 0.56 0.17 0.42 0.00 0.00 0.00 175.10 176.22 1gkk s THR 900 N -0.18 2.62 0.00 3.92 -4.23 0.10 -0.62 115.64 117.26 1gkk s THR 900 Ca -0.00 -2.71 0.00 0.00 -1.18 0.00 0.00 61.69 57.80 1gkk s THR 900 Cb -0.13 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1gkk s THR 900 CO 0.03 -0.70 0.00 -0.81 -0.54 0.00 0.00 174.62 172.60 1gkk n PRO 901 N 3.83 0.79 -3.97 3.99 -0.04 -1.26 -1.76 135.00 136.58 1gkk n PRO 901 Ca 0.04 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1gkk n PRO 901 Cb 0.38 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 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 0.19 0.10 -2.30 0.52 -1.32 -1.26 -4.09 115.64 107.48 1gkk s THR 902 Ca 0.00 -0.87 0.21 0.00 -1.21 0.00 0.00 61.69 59.82 1gkk s THR 902 Cb 0.00 -0.28 0.44 0.00 -1.51 0.00 0.00 72.50 71.15 1gkk s THR 902 CO 0.00 -0.48 1.45 2.22 -2.21 0.00 0.00 174.62 175.61 1gkk n PHE 903 N 1.61 0.41 -1.92 9.09 1.16 -1.26 -4.94 117.46 121.62 1gkk n PHE 903 Ca -0.24 -0.20 -0.30 0.00 -1.87 0.00 0.00 57.45 54.84 1gkk n PHE 903 Cb 0.55 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.45 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 -1.42 5.73 0.00 5.98 0.01 -1.26 -3.42 114.94 120.56 1gkk s ASN 904 Ca 0.35 1.20 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 1gkk s ASN 904 Cb 0.19 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.75 1gkk s ASN 904 CO 0.27 -1.15 0.00 0.61 -1.51 0.00 0.00 177.10 175.32 1gkk n GLY 905 N -2.89 2.04 7.00 0.66 0.00 -1.26 -4.78 105.19 105.96 1gkk n GLY 905 Ca 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 2.47 3.35 0.53 -0.02 0.00 -1.25 -0.94 105.19 109.33 1gkk n GLY 906 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 3.64 1.60 -4.77 1.61 3.02 -1.26 -4.97 115.26 114.13 1gkk n ASN 907 Ca 0.00 -1.66 -0.38 0.00 -0.03 0.00 0.00 54.58 52.51 1gkk n ASN 907 Cb 0.00 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.43 0.35 0.39 0.00 -4.23 -1.22 -4.57 115.64 104.93 1gkk s THR 909 Ca 0.58 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 1gkk s THR 909 Cb -0.31 -2.33 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1gkk s THR 909 CO 0.38 -0.23 2.03 0.00 -0.54 0.00 0.00 174.62 176.26 1gkk h ALA 910 N 2.63 1.71 -0.09 3.99 0.00 -1.97 -1.16 119.26 124.37 1gkk h ALA 910 Ca -0.37 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1gkk h ALA 910 Cb 1.23 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1gkk h ALA 910 CO 0.59 0.24 -0.83 -0.56 0.00 0.00 0.00 179.25 178.70 1gkk h GLN 911 N 0.63 0.60 -0.14 0.00 3.07 -1.94 -3.33 115.11 114.00 1gkk h GLN 911 Ca 0.20 -0.54 0.00 0.00 0.09 0.00 0.00 58.65 58.41 1gkk h GLN 911 Cb 0.04 0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1gkk h GLN 911 CO -0.05 1.16 0.00 0.27 0.09 0.00 0.00 178.83 180.30 1gkk n ASN 912 N -3.86 3.04 -0.05 0.06 0.23 -1.02 -4.51 115.26 109.14 1gkk n ASN 912 Ca -0.07 -1.95 0.13 0.00 -0.53 0.00 0.00 54.58 52.16 1gkk n ASN 912 Cb 0.77 -0.07 0.55 0.00 -2.08 0.00 0.00 39.78 38.94 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 4.39 0.33 -0.97 -2.53 3.57 -1.33 -1.99 116.94 118.40 1gkk h PHE 913 Ca 0.00 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.78 1gkk h PHE 913 Cb 0.95 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1gkk h PHE 913 CO 0.07 0.15 0.68 0.10 -2.23 0.00 0.00 178.31 177.09 1gkk h TYR 914 N 0.30 0.15 -0.28 0.41 -0.00 -1.85 0.54 116.97 116.24 1gkk h TYR 914 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.92 1gkk h TYR 914 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 37.30 1gkk h TYR 914 CO -0.00 0.03 -0.12 0.37 -0.00 0.00 0.00 178.16 178.44 1gkk h GLN 915 N 0.10 0.57 -0.51 0.10 5.75 -1.72 -1.41 115.11 118.00 1gkk h GLN 915 Ca 0.48 -0.24 -0.07 0.00 -0.15 0.00 0.00 58.65 58.67 1gkk h GLN 915 Cb 1.73 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.23 1gkk h GLN 915 CO -0.06 0.81 0.04 1.49 -2.65 0.00 0.00 178.83 178.45 1gkk h GLU 916 N 0.32 0.83 -0.29 1.69 4.81 -1.37 -2.00 114.58 118.56 1gkk h GLU 916 Ca 0.06 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1gkk h GLU 916 Cb 0.62 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1gkk h GLU 916 CO 0.04 0.80 0.06 0.35 -0.73 0.00 0.00 179.01 179.53 1gkk h PHE 917 N 0.78 0.09 0.05 0.92 3.57 -0.67 0.62 116.94 122.30 1gkk h PHE 917 Ca 0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1gkk h PHE 917 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1gkk h PHE 917 CO 0.02 0.02 -0.02 0.00 -2.23 0.00 0.00 178.31 176.10 1gkk h ARG 918 N 0.16 -0.06 0.17 1.11 3.08 -1.02 -1.87 114.38 115.95 1gkk h ARG 918 Ca 0.14 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.88 1gkk h ARG 918 Cb 0.15 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1gkk h ARG 918 CO -0.18 0.11 -1.48 1.96 -1.07 0.00 0.00 179.97 179.31 1gkk h GLN 919 N -0.22 0.35 0.00 0.04 4.20 -1.31 -3.42 115.11 114.75 1gkk h GLN 919 Ca -0.01 -0.60 -0.08 0.00 0.06 0.00 0.00 58.65 58.02 1gkk h GLN 919 Cb 0.20 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1gkk h GLN 919 CO 0.01 1.26 -1.19 0.09 -0.67 0.00 0.00 178.83 178.33 1gkk n ASN 920 N -3.56 0.48 0.09 1.46 5.03 0.13 -4.64 115.26 114.25 1gkk n ASN 920 Ca -0.16 0.08 -0.13 0.00 0.87 0.00 0.00 54.58 55.24 1gkk n ASN 920 Cb 1.06 -0.19 -0.08 0.00 -1.02 0.00 0.00 39.78 39.55 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 -0.20 0.95 0.06 2.41 2.07 -1.29 -1.40 116.25 118.85 1gkk h VAL 921 Ca -0.13 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1gkk h VAL 921 Cb 1.02 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1gkk h VAL 921 CO -0.08 0.15 -0.07 0.40 0.02 0.00 0.00 177.57 177.99 1gkk h ILE 922 N -0.56 0.82 -0.41 4.57 2.04 -1.59 0.10 117.51 122.49 1gkk h ILE 922 Ca -0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 1gkk h ILE 922 Cb 0.42 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1gkk h ILE 922 CO 0.04 0.00 -0.02 -0.65 0.00 0.00 0.00 178.15 177.52 1gkk h PRO 923 N -0.16 0.67 0.27 2.37 0.11 -1.81 -0.23 132.00 133.22 1gkk h PRO 923 Ca 0.01 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1gkk h PRO 923 Cb 0.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1gkk h PRO 923 CO -0.03 0.70 -0.13 0.35 -0.21 0.00 0.00 178.00 178.67 1gkk h PHE 924 N 0.63 -0.34 -0.29 0.65 3.57 -0.99 -2.48 116.94 117.69 1gkk h PHE 924 Ca 0.13 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1gkk h PHE 924 Cb 0.42 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1gkk h PHE 924 CO 0.02 -0.08 -0.10 0.28 -2.23 0.00 0.00 178.31 176.19 1gkk h VAL 925 N -0.55 1.29 -0.01 1.41 2.07 -0.73 -3.18 116.25 116.56 1gkk h VAL 925 Ca -0.04 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1gkk h VAL 925 Cb 0.41 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1gkk h VAL 925 CO 0.06 0.37 -0.13 -0.62 0.02 0.00 0.00 177.57 177.27 1gkk n GLU 926 N -4.45 0.88 0.06 1.57 1.02 -0.12 -1.44 120.64 118.15 1gkk n GLU 926 Ca -0.03 -0.39 0.12 0.00 -0.02 0.00 0.00 57.16 56.83 1gkk n GLU 926 Cb 0.34 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.34 1gkk n GLU 926 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1gkk n SER 927 N -0.72 0.68 -0.09 1.62 3.41 -0.93 -4.31 113.62 113.28 1gkk n SER 927 Ca 0.15 0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1gkk n SER 927 Cb 0.30 0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 64.60 1gkk n SER 927 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1gkk n LYS 928 N -2.19 0.68 -4.43 4.33 4.81 -0.96 -4.97 118.16 115.43 1gkk n LYS 928 Ca 0.02 0.08 -0.26 0.00 -0.87 0.00 0.00 58.31 57.28 1gkk n LYS 928 Cb 0.47 -1.58 -0.11 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.52 2.29 -0.69 5.64 2.02 -0.52 -5.09 117.35 118.48 1gkk s TYR 929 Ca -0.13 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.00 1gkk s TYR 929 Cb 0.07 -1.11 0.08 0.00 -0.40 0.00 0.00 41.96 40.60 1gkk s TYR 929 CO 0.79 0.54 0.95 -1.12 -1.57 0.00 0.00 175.55 175.14 1gkk s SER 930 N -2.82 6.25 0.00 2.29 0.01 -1.26 -4.56 113.70 113.60 1gkk s SER 930 Ca 0.22 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1gkk s SER 930 Cb -0.07 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1gkk s SER 930 CO 0.11 -1.34 0.00 0.35 0.41 0.00 0.00 173.24 172.77 1gkk n THR 931 N 5.81 0.00 1.79 1.44 -2.24 -1.26 -1.36 114.28 118.46 1gkk n THR 931 Ca -0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 1gkk n THR 931 Cb 0.46 -0.60 0.86 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.50 0.00 -2.40 4.78 4.02 -1.24 -4.41 117.16 117.41 1gkk n TYR 932 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1gkk n TYR 932 Cb 0.00 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.21 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 -2.17 3.33 0.28 -0.72 0.00 -1.26 -4.74 121.76 116.48 1gkk s ALA 933 Ca 0.41 0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.56 1gkk s ALA 933 Cb 0.21 -3.80 0.40 0.00 0.00 0.00 0.00 23.12 19.94 1gkk s ALA 933 CO 0.40 -1.84 1.65 0.93 0.00 0.00 0.00 175.76 176.89 1gkk h GLU 934 N 9.50 0.09 -4.02 0.00 5.08 -1.85 -3.45 114.58 119.93 1gkk h GLU 934 Ca -0.27 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 57.91 1gkk h GLU 934 Cb 1.10 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.24 1gkk h GLU 934 CO 1.04 0.61 -0.33 -1.54 -1.00 0.00 0.00 179.01 177.79 1gkk s SER 935 N -6.88 0.02 -0.31 1.42 1.04 -1.26 -5.08 113.70 102.64 1gkk s SER 935 Ca -0.03 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.41 1gkk s SER 935 Cb 0.13 0.49 0.55 0.00 0.10 0.00 0.00 66.02 67.28 1gkk s SER 935 CO 0.77 -0.99 1.56 0.35 0.98 0.00 0.00 173.24 175.90 1gkk n THR 936 N -0.31 2.67 -1.53 2.02 -2.24 -1.26 -3.78 114.28 109.85 1gkk n THR 936 Ca -0.01 -2.51 -0.30 0.00 -2.27 0.00 0.00 64.05 58.96 1gkk n THR 936 Cb 0.63 -0.34 0.10 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 -3.22 2.98 0.28 4.28 -4.23 -1.26 -4.76 115.64 109.71 1gkk s THR 937 Ca 0.47 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 61.32 1gkk s THR 937 Cb 0.42 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1gkk s THR 937 CO 0.03 -0.42 1.79 -0.65 -0.54 0.00 0.00 174.62 174.83 1gkk h PRO 938 N -1.14 0.78 -0.65 3.99 0.11 -1.97 -0.20 132.00 132.92 1gkk h PRO 938 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1gkk h PRO 938 Cb 1.27 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1gkk h PRO 938 CO 0.59 0.51 0.35 1.96 -0.21 0.00 0.00 178.00 181.20 1gkk h GLN 939 N 0.80 0.91 -0.31 1.05 7.50 -1.95 -0.80 115.11 122.31 1gkk h GLN 939 Ca 0.52 -0.11 -0.13 0.00 0.50 0.00 0.00 58.65 59.43 1gkk h GLN 939 Cb 0.70 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.04 1gkk h GLN 939 CO -0.34 0.69 -0.34 0.78 -1.50 0.00 0.00 178.83 178.12 1gkk h GLY 940 N 0.89 0.75 0.58 3.46 0.00 -1.37 -0.68 103.07 106.70 1gkk h GLY 940 Ca 0.23 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1gkk h GLY 940 CO -0.04 0.65 -0.06 -2.22 0.00 0.00 0.00 176.54 174.87 1gkk h ILE 941 N 0.58 1.39 -0.97 2.60 2.04 -0.99 -3.06 117.51 119.10 1gkk h ILE 941 Ca 0.06 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.70 1gkk h ILE 941 Cb 0.86 2.12 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 1gkk h ILE 941 CO 0.07 0.35 0.63 0.00 0.00 0.00 0.00 178.15 179.20 1gkk h ALA 942 N 0.52 1.32 0.00 1.87 0.00 -1.06 -1.95 119.26 119.96 1gkk h ALA 942 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gkk h ALA 942 Cb 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1gkk h ALA 942 CO 0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1gkk n ALA 943 N -2.36 1.53 -0.43 0.00 0.00 -0.27 -2.54 120.51 116.44 1gkk n ALA 943 Ca 0.14 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.69 1gkk n ALA 943 Cb 0.14 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.98 2.93 -2.39 0.00 3.41 -0.75 -5.00 113.62 109.84 1gkk n SER 944 Ca 0.02 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1gkk n SER 944 Cb 0.17 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.12 0.00 -0.12 4.33 1.85 -1.05 -3.77 116.66 117.78 1gkk n ARG 945 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1gkk n ARG 945 Cb 0.53 -1.20 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 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 2.11 0.00 -4.00 2.89 8.25 -1.26 -2.22 115.22 120.99 1gkk n HIS 947 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1gkk n HIS 947 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 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 0.37 0.11 -0.41 3.52 -1.25 -1.95 118.95 119.34 1gkk s ARG 948 Ca 0.00 -0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 1gkk s ARG 948 Cb 0.00 -0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 32.88 1gkk s ARG 948 CO 0.00 -0.06 -0.07 0.20 -0.81 0.00 0.00 175.30 174.56 1gkk s GLY 949 N 0.68 0.84 -0.01 8.12 0.00 -0.01 -2.33 107.32 114.60 1gkk s GLY 949 Ca -0.07 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.26 1gkk s GLY 949 CO -0.01 -1.48 0.01 -0.12 0.00 0.00 0.00 173.10 171.50 1gkk s PHE 950 N -3.58 0.08 0.36 1.90 2.19 -0.10 -1.16 117.98 117.66 1gkk s PHE 950 Ca 0.13 0.04 -0.05 0.00 0.33 0.00 0.00 56.93 57.39 1gkk s PHE 950 Cb 0.05 -0.15 0.02 0.00 -1.31 0.00 0.00 43.02 41.62 1gkk s PHE 950 CO -0.03 -0.05 0.55 0.20 1.83 0.00 0.00 175.22 177.72 1gkk s GLY 951 N 0.50 1.29 0.00 13.12 0.00 0.32 -4.10 107.32 118.44 1gkk s GLY 951 Ca -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1gkk s GLY 951 CO -0.01 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 172.84 1gkk n GLY 952 N -0.57 1.60 0.54 0.20 0.00 -1.26 -4.03 105.19 101.67 1gkk n GLY 952 Ca -0.01 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.44 0.20 0.00 1.61 7.35 -1.26 -0.88 117.46 124.05 1gkk n PHE 953 Ca 0.00 -0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.47 1gkk n PHE 953 Cb 0.00 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.82 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 0.59 1.17 0.17 7.13 0.00 -0.90 -3.24 105.19 110.11 1gkk n GLY 956 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 0.56 0.44 -0.02 0.00 -1.71 -2.02 103.07 100.31 1gkk h GLY 957 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 47.33 46.74 1gkk h GLY 957 CO 0.00 0.61 0.32 -2.00 0.00 0.00 0.00 176.54 175.47 1gkk h LEU 958 N 0.13 0.40 -0.64 3.11 6.46 -1.82 -1.52 115.31 121.42 1gkk h LEU 958 Ca -0.00 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1gkk h LEU 958 Cb 0.96 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.83 1gkk h LEU 958 CO 0.08 0.23 0.32 0.74 -0.62 0.00 0.00 178.44 179.19 1gkk h THR 959 N 0.55 0.91 -0.50 1.05 2.02 -1.67 -2.01 112.91 113.25 1gkk h THR 959 Ca 0.34 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.36 1gkk h THR 959 Cb 0.38 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1gkk h THR 959 CO -0.28 0.11 0.27 0.74 0.37 0.00 0.00 175.52 176.72 1gkk h THR 960 N 0.59 0.98 -0.67 3.16 2.02 -0.57 0.05 112.91 118.47 1gkk h THR 960 Ca 0.30 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 1gkk h THR 960 Cb 0.25 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1gkk h THR 960 CO -0.22 0.10 0.12 -0.50 0.37 0.00 0.00 175.52 175.39 1gkk h TRP 961 N 0.52 1.15 -0.15 3.16 4.06 -0.68 -2.74 115.95 121.26 1gkk h TRP 961 Ca 0.22 -0.15 -0.11 0.00 2.06 0.00 0.00 58.89 60.91 1gkk h TRP 961 Cb 0.10 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 1gkk h TRP 961 CO -0.09 0.95 -0.39 1.88 -3.56 0.00 0.00 178.44 177.23 1gkk h TYR 962 N 1.02 0.38 0.00 0.49 -1.99 -0.92 -2.01 116.97 113.94 1gkk h TYR 962 Ca 0.21 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1gkk h TYR 962 Cb 0.41 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1gkk h TYR 962 CO 0.03 0.67 0.00 0.28 -0.00 0.00 0.00 178.16 179.14 1gkk n VAL 963 N -4.04 0.05 0.00 -2.88 0.31 -0.04 -2.05 118.33 109.69 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 0.47 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 0.66 0.00 0.50 2.52 0.24 -0.76 0.30 118.33 121.79 1gkk n VAL 965 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1gkk n VAL 965 Cb 0.04 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.40 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 1.13 -1.06 -1.34 3.02 -0.87 -4.69 115.26 111.45 1gkk n ASN 966 Ca 0.00 -1.06 0.04 0.00 -0.03 0.00 0.00 54.58 53.52 1gkk n ASN 966 Cb 0.00 0.58 0.04 0.00 -0.61 0.00 0.00 39.78 39.80 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 0.70 0.00 -1.92 0.00 3.38 -1.79 -0.79 115.31 114.89 1gkk h LEU 968 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1gkk h LEU 968 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 1gkk h LEU 968 CO 0.06 0.00 -0.12 -2.24 0.09 0.00 0.00 178.44 176.23 1gkk h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.95 -3.22 116.42 112.85 1gkk h ASP 969 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1gkk h ASP 969 Cb 0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1gkk h ASP 969 CO -0.00 0.12 -1.37 -1.22 -1.03 0.00 0.00 179.24 175.74 1gkk n TYR 970 N -3.70 0.00 -4.07 4.15 4.02 -0.43 -4.37 117.16 112.76 1gkk n TYR 970 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1gkk n TYR 970 Cb 0.23 -0.23 -0.15 0.00 -0.02 0.00 0.00 39.34 39.16 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 -2.77 0.34 -0.07 -0.72 1.01 -0.43 -4.31 120.40 113.45 1gkk s VAL 971 Ca -0.03 -0.09 0.15 0.00 0.00 0.00 0.00 61.98 62.01 1gkk s VAL 971 Cb 0.09 -0.36 -0.22 0.00 0.00 0.00 0.00 36.38 35.90 1gkk s VAL 971 CO 0.56 0.14 0.22 0.00 0.00 0.00 0.00 175.10 176.02 1gkk n ALA 972 N 3.59 2.19 -3.19 5.51 0.00 -0.94 -4.49 120.51 123.18 1gkk n ALA 972 Ca -0.20 -0.62 -0.32 0.00 0.00 0.00 0.00 53.44 52.30 1gkk n ALA 972 Cb 0.54 -0.34 -0.17 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.78 2.55 0.20 0.00 1.51 -1.15 -0.67 117.35 117.02 1gkk s TYR 973 Ca -0.06 -1.03 0.01 0.00 -1.01 0.00 0.00 57.07 54.98 1gkk s TYR 973 Cb 0.08 -1.70 -0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1gkk s TYR 973 CO 0.63 -0.41 0.05 1.19 -1.11 0.00 0.00 175.55 175.90 1gkk n PHE 974 N 3.49 0.21 0.00 2.71 3.72 -0.35 -0.92 117.46 126.31 1gkk n PHE 974 Ca -0.19 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.00 1gkk n PHE 974 Cb 0.53 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1gkk n PHE 974 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1gkk n PRO 976 N -0.48 0.00 -4.13 -1.08 -0.04 -1.25 -0.93 135.00 127.10 1gkk n PRO 976 Ca -0.05 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.08 1gkk n PRO 976 Cb 0.29 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.59 1gkk n PRO 976 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gkk s LEU 977 N 0.00 2.26 -1.42 1.53 1.43 -0.06 -1.90 118.68 120.52 1gkk s LEU 977 Ca 0.00 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1gkk s LEU 977 Cb 0.00 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1gkk s LEU 977 CO 0.00 0.00 0.54 -1.20 0.23 0.00 0.00 176.35 175.93 1gkk n SER 978 N 4.60 -1.02 -3.64 2.29 7.64 -0.08 -4.11 113.62 119.32 1gkk n SER 978 Ca -0.20 -0.95 -0.15 0.00 1.01 0.00 0.00 58.87 58.58 1gkk n SER 978 Cb 0.50 -3.31 -0.08 0.00 -1.01 0.00 0.00 64.21 60.32 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 -4.22 -0.47 0.37 0.23 0.00 -1.26 -4.78 107.32 97.19 1gkk s GLY 979 Ca 0.10 1.53 0.08 0.00 0.00 0.00 0.00 44.72 46.43 1gkk s GLY 979 CO 0.87 1.26 0.28 0.51 0.00 0.00 0.00 173.10 176.03 1gkk s ASP 980 N -0.18 5.01 -0.23 1.64 -4.77 -1.26 -4.63 116.67 112.25 1gkk s ASP 980 Ca -0.04 -0.69 -0.24 0.00 -3.30 0.00 0.00 52.55 48.28 1gkk s ASP 980 Cb -0.03 -0.74 -0.01 0.00 -1.09 0.00 0.00 42.92 41.05 1gkk s ASP 980 CO 0.03 -0.46 0.81 -0.47 0.70 0.00 0.00 175.17 175.78 1gkk s TYR 981 N -2.41 3.32 -1.02 2.11 5.04 -1.26 -4.24 117.35 118.89 1gkk s TYR 981 Ca 0.43 1.12 -0.01 0.00 -2.44 0.00 0.00 57.07 56.16 1gkk s TYR 981 Cb -0.03 -3.02 0.32 0.00 0.35 0.00 0.00 41.96 39.57 1gkk s TYR 981 CO 0.26 -0.37 1.69 0.91 -1.34 0.00 0.00 175.55 176.70 1gkk n TRP 982 N 5.86 2.70 -3.53 4.97 7.02 -1.26 -4.75 117.44 128.45 1gkk n TRP 982 Ca 0.05 -2.65 -0.29 0.00 -1.02 0.00 0.00 57.50 53.58 1gkk n TRP 982 Cb 0.48 -1.17 -0.14 0.00 -2.42 0.00 0.00 31.31 28.06 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 -3.89 0.72 0.00 -5.99 5.04 -1.26 -5.11 117.35 106.86 1gkk s TYR 983 Ca 0.37 -1.37 0.00 0.00 -2.44 0.00 0.00 57.07 53.63 1gkk s TYR 983 Cb 0.16 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.43 1gkk s TYR 983 CO -0.07 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 173.72 1gkk n GLY 984 N 4.58 3.92 0.96 8.97 0.00 -1.26 -3.79 105.19 118.58 1gkk n GLY 984 Ca 0.03 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.50 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 3.12 -3.69 1.61 3.02 -1.26 -4.91 115.26 113.15 1gkk n ASN 985 Ca 0.00 -1.91 -0.10 0.00 -0.03 0.00 0.00 54.58 52.54 1gkk n ASN 985 Cb 0.00 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1gkk n ASN 985 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1gkk s SER 986 N -1.35 -0.26 0.48 6.41 1.04 -1.26 -5.01 113.70 113.75 1gkk s SER 986 Ca 0.32 -0.41 0.13 0.00 0.48 0.00 0.00 55.95 56.47 1gkk s SER 986 Cb 0.19 0.54 1.14 0.00 0.10 0.00 0.00 66.02 67.98 1gkk s SER 986 CO 0.26 -0.98 2.12 -0.65 0.98 0.00 0.00 173.24 174.98 1gkk h PRO 987 N 2.25 0.18 -0.52 4.02 0.11 -1.92 -2.10 132.00 134.01 1gkk h PRO 987 Ca -0.31 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.69 1gkk h PRO 987 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1gkk h PRO 987 CO 0.41 0.12 -0.07 1.96 -0.21 0.00 0.00 178.00 180.20 1gkk h GLN 988 N 0.18 0.98 -0.64 1.05 7.50 -1.95 -0.47 115.11 121.77 1gkk h GLN 988 Ca 0.05 -0.35 0.02 0.00 0.50 0.00 0.00 58.65 58.88 1gkk h GLN 988 Cb -0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.41 1gkk h GLN 988 CO -0.01 1.02 0.40 -0.44 -1.50 0.00 0.00 178.83 178.30 1gkk h ASP 989 N 0.84 0.66 0.15 1.46 3.32 -1.74 0.75 116.42 121.87 1gkk h ASP 989 Ca 0.14 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1gkk h ASP 989 Cb 0.63 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1gkk h ASP 989 CO 0.04 0.46 -0.07 0.11 -1.72 0.00 0.00 179.24 178.06 1gkk h LYS 990 N 0.79 -0.20 -0.74 3.56 1.57 -1.15 -1.08 116.57 119.32 1gkk h LYS 990 Ca 0.25 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1gkk h LYS 990 Cb 0.00 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1gkk h LYS 990 CO -0.09 -0.01 0.37 0.00 -0.57 0.00 0.00 179.45 179.15 1gkk h ALA 991 N 0.46 1.26 -0.40 3.86 0.00 -0.85 -2.61 119.26 121.00 1gkk h ALA 991 Ca -0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1gkk h ALA 991 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gkk h ALA 991 CO 0.03 0.58 -0.16 -0.91 0.00 0.00 0.00 179.25 178.79 1gkk h ASN 992 N 1.04 0.73 -0.67 0.00 2.35 -0.72 0.39 115.58 118.71 1gkk h ASN 992 Ca 0.26 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1gkk h ASN 992 Cb 0.08 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1gkk h ASN 992 CO -0.04 0.90 0.40 -1.28 -1.65 0.00 0.00 177.43 175.76 1gkk h SER 993 N 0.66 0.81 -0.38 5.81 0.87 -0.87 0.30 113.55 120.75 1gkk h SER 993 Ca 0.11 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1gkk h SER 993 Cb 0.64 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1gkk h SER 993 CO 0.04 0.63 0.00 0.40 -0.53 0.00 0.00 176.83 177.38 1gkk h ILE 994 N 0.91 1.26 -0.69 2.23 2.04 -1.10 -1.93 117.51 120.24 1gkk h ILE 994 Ca 0.24 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1gkk h ILE 994 Cb -0.02 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1gkk h ILE 994 CO -0.04 0.33 0.43 0.00 0.00 0.00 0.00 178.15 178.87 1gkk h ALA 995 N 0.88 0.90 -0.69 1.87 0.00 -0.54 -0.56 119.26 121.11 1gkk h ALA 995 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1gkk h ALA 995 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1gkk h ALA 995 CO 0.02 0.20 0.24 0.93 0.00 0.00 0.00 179.25 180.63 1gkk h GLU 996 N 0.84 1.05 -0.59 0.00 5.08 -0.18 0.97 114.58 121.74 1gkk h GLU 996 Ca 0.28 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1gkk h GLU 996 Cb 0.02 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1gkk h GLU 996 CO -0.11 0.88 0.24 0.00 -1.00 0.00 0.00 179.01 179.02 1gkk h ALA 997 N 1.24 0.76 -0.45 3.43 0.00 -0.89 -0.53 119.26 122.82 1gkk h ALA 997 Ca 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1gkk h ALA 997 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1gkk h ALA 997 CO -0.01 0.38 0.08 0.82 0.00 0.00 0.00 179.25 180.51 1gkk h ILE 998 N 0.81 1.24 -0.15 0.00 2.04 -0.50 -1.64 117.51 119.32 1gkk h ILE 998 Ca 0.20 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.21 1gkk h ILE 998 Cb 0.20 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1gkk h ILE 998 CO -0.02 0.31 -0.20 0.78 0.00 0.00 0.00 178.15 179.03 1gkk h ASN 999 N 0.61 -0.61 -0.52 1.72 -0.26 -0.57 -2.26 115.58 113.69 1gkk h ASN 999 Ca 0.14 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.99 1gkk h ASN 999 Cb 0.38 0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.89 1gkk h ASN 999 CO 0.01 -0.24 0.34 -0.09 -1.06 0.00 0.00 177.43 176.38 1gkk h ARG 1000N -0.24 0.70 0.00 0.81 2.43 -0.88 -1.94 114.38 115.26 1gkk h ARG 1000Ca 0.11 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1gkk h ARG 1000Cb 0.39 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1gkk h ARG 1000CO -0.29 0.47 -0.17 0.66 -1.51 0.00 0.00 179.97 179.12 1gkk h SER 1001N 0.71 0.00 0.00 -3.80 4.64 -0.72 -3.46 113.55 110.92 1gkk h SER 1001Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1gkk h SER 1001Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1gkk h SER 1001CO -0.04 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1gkk n GLY 1002N -0.30 0.70 3.77 -0.77 0.00 -0.73 -5.00 105.19 102.86 1gkk n GLY 1002Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 3.66 0.68 0.99 1.43 -1.25 -5.04 118.68 119.14 1gkk s LEU 1003Ca 0.00 2.19 -0.09 0.00 -1.03 0.00 0.00 54.13 55.20 1gkk s LEU 1003Cb 0.00 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.67 1gkk s LEU 1003CO 0.00 -1.39 1.03 -0.94 0.23 0.00 0.00 176.35 175.28 1gkk s SER 1004N -1.89 5.30 0.14 2.29 1.04 -1.26 -4.93 113.70 114.39 1gkk s SER 1004Ca 0.73 0.85 0.16 0.00 0.48 0.00 0.00 55.95 58.16 1gkk s SER 1004Cb -0.25 -1.66 0.71 0.00 0.10 0.00 0.00 66.02 64.93 1gkk s SER 1004CO 0.31 -1.35 1.49 0.29 0.98 0.00 0.00 173.24 174.96 1gkk n LYS 1005N -2.88 0.09 -0.33 4.02 5.02 -1.26 -1.81 118.16 121.00 1gkk n LYS 1005Ca 0.06 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.85 1gkk n LYS 1005Cb 0.58 -1.70 0.24 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.87 2.50 0.00 1.97 5.12 -1.26 -4.26 116.66 118.86 1gkk n ARG 1006Ca 0.02 -1.90 0.00 0.00 -1.93 0.00 0.00 57.85 54.03 1gkk n ARG 1006Cb 0.13 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 0.87 0.70 -3.76 5.56 1.02 -0.75 -5.01 120.64 119.28 1gkk n GLU 1007Ca 0.17 -0.84 -0.13 0.00 -0.02 0.00 0.00 57.16 56.34 1gkk n GLU 1007Cb 0.53 -0.92 -0.09 0.00 -0.02 0.00 0.00 31.44 30.94 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 -0.38 -0.21 -0.08 -0.32 -0.85 -1.26 -4.71 117.35 109.53 1gkk s TYR 1008Ca 0.00 0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 56.85 1gkk s TYR 1008Cb 0.00 0.11 0.03 0.00 0.38 0.00 0.00 41.96 42.48 1gkk s TYR 1008CO 0.00 -0.37 0.21 -0.06 -1.52 0.00 0.00 175.55 173.81 1gkk s PHE 1009N -1.14 -0.24 -0.14 -3.49 0.40 0.16 -4.80 117.98 108.72 1gkk s PHE 1009Ca -0.12 0.60 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 1gkk s PHE 1009Cb -0.05 0.05 0.02 0.00 0.51 0.00 0.00 43.02 43.56 1gkk s PHE 1009CO 0.04 -0.15 -0.11 0.08 0.70 0.00 0.00 175.22 175.78 1gkk s VAL 1010N 0.54 1.37 -0.41 -0.44 1.01 -0.17 -1.21 120.40 121.09 1gkk s VAL 1010Ca -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1gkk s VAL 1010Cb -0.05 -1.33 0.11 0.00 0.00 0.00 0.00 36.38 35.11 1gkk s VAL 1010CO -0.03 0.40 0.14 0.12 0.00 0.00 0.00 175.10 175.73 1gkk s PHE 1011N 1.56 3.55 0.30 5.22 2.19 -0.11 -1.18 117.98 129.52 1gkk s PHE 1011Ca 0.05 -3.04 -0.05 0.00 0.33 0.00 0.00 56.93 54.21 1gkk s PHE 1011Cb -0.13 -2.91 -0.05 0.00 -1.31 0.00 0.00 43.02 38.62 1gkk s PHE 1011CO -0.10 -0.88 0.58 0.00 1.83 0.00 0.00 175.22 176.65 1gkk s ALA 1012N 0.47 3.60 0.07 11.12 0.00 -0.08 -3.83 121.76 133.10 1gkk s ALA 1012Ca 0.13 -0.53 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 1gkk s ALA 1012Cb -0.22 -2.34 0.04 0.00 0.00 0.00 0.00 23.12 20.61 1gkk s ALA 1012CO -0.05 0.21 0.44 0.00 0.00 0.00 0.00 175.76 176.36 1gkk s ALA 1013N -2.12 -1.07 0.27 0.00 0.00 -0.80 -0.88 121.76 117.16 1gkk s ALA 1013Ca 0.45 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1gkk s ALA 1013Cb -0.11 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1gkk s ALA 1013CO 0.30 -0.52 0.56 -2.37 0.00 0.00 0.00 175.76 173.73 1gkk n THR 1014N 0.26 0.00 -4.02 0.00 5.66 -0.32 -0.90 114.28 114.96 1gkk n THR 1014Ca -0.18 -0.67 -0.30 0.00 -3.05 0.00 0.00 64.05 59.85 1gkk n THR 1014Cb 0.61 0.68 -0.06 0.00 -1.55 0.00 0.00 70.33 70.01 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 -2.48 2.02 0.48 1.09 0.00 -1.26 -1.01 107.32 106.16 1gkk s GLY 1015Ca 0.11 -0.99 0.32 0.00 0.00 0.00 0.00 44.72 44.17 1gkk s GLY 1015CO 0.08 -0.97 1.97 1.48 0.00 0.00 0.00 173.10 175.66 1gkk h SER 1016N 3.11 0.00 -0.21 1.64 4.64 -0.96 -2.25 113.55 119.52 1gkk h SER 1016Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1gkk h SER 1016Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1gkk h SER 1016CO 0.68 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.99 1gkk n GLU 1017N -2.77 2.29 -3.67 4.77 -0.58 -0.24 -4.88 120.64 115.56 1gkk n GLU 1017Ca -0.00 -2.87 -0.36 0.00 -0.42 0.00 0.00 57.16 53.50 1gkk n GLU 1017Cb 0.19 -1.76 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.31 6.11 0.66 1.62 -1.08 -0.85 -4.45 116.67 116.37 1gkk s ASP 1018Ca 0.40 0.12 0.43 0.00 -0.52 0.00 0.00 52.55 52.98 1gkk s ASP 1018Cb 0.34 -2.10 2.35 0.00 -1.46 0.00 0.00 42.92 42.05 1gkk s ASP 1018CO 0.05 0.08 2.36 -0.29 0.52 0.00 0.00 175.17 177.88 1gkk h ILE 1019N 4.99 0.07 -0.24 4.11 2.10 -1.93 -0.58 117.51 126.03 1gkk h ILE 1019Ca -0.38 -0.01 0.07 0.00 1.08 0.00 0.00 64.86 65.61 1gkk h ILE 1019Cb 1.17 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.90 1gkk h ILE 1019CO 0.66 0.00 0.22 0.00 -1.08 0.00 0.00 178.15 177.95 1gkk h ALA 1020N 2.00 1.98 -1.00 0.18 0.00 -1.92 -2.30 119.26 118.20 1gkk h ALA 1020Ca -0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1gkk h ALA 1020Cb 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1gkk h ALA 1020CO 0.00 -0.34 0.63 -0.92 0.00 0.00 0.00 179.25 178.62 1gkk h TYR 1021N 0.00 1.11 -0.70 0.00 5.03 -1.36 -2.97 116.97 118.09 1gkk h TYR 1021Ca 0.11 0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.59 1gkk h TYR 1021Cb 0.55 -0.35 -0.09 0.00 1.55 0.00 0.00 36.73 38.39 1gkk h TYR 1021CO 0.00 0.39 0.23 0.00 -1.32 0.00 0.00 178.16 177.46 1gkk h ALA 1022N 1.57 0.92 -0.77 1.82 0.00 -1.62 -0.65 119.26 120.54 1gkk h ALA 1022Ca 0.52 0.13 -0.50 0.00 0.00 0.00 0.00 54.91 55.05 1gkk h ALA 1022Cb 0.60 0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.30 1gkk h ALA 1022CO -0.29 -0.26 0.65 0.09 0.00 0.00 0.00 179.25 179.44 1gkk n ASN 1023N -5.06 6.61 0.00 0.00 3.02 -1.12 -4.41 115.26 114.30 1gkk n ASN 1023Ca 0.12 -3.43 0.00 0.00 -0.03 0.00 0.00 54.58 51.24 1gkk n ASN 1023Cb 0.38 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 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 -0.42 0.00 -0.32 6.41 5.15 -0.25 -3.28 115.26 122.54 1gkk n ASN 1025Ca 0.48 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.48 1gkk n ASN 1025Cb 0.74 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 40.19 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 1.10 -0.32 1.20 0.11 -1.80 0.04 132.00 132.33 1gkk h PRO 1026Ca 0.00 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 1gkk h PRO 1026Cb 0.00 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 1gkk h PRO 1026CO 0.00 0.73 0.08 0.37 -0.21 0.00 0.00 178.00 178.97 1gkk h GLN 1027N 1.14 0.51 -0.57 1.05 4.15 -1.88 -1.72 115.11 117.79 1gkk h GLN 1027Ca 0.38 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.71 1gkk h GLN 1027Cb 0.07 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 1gkk h GLN 1027CO -0.13 0.58 0.34 0.82 -1.93 0.00 0.00 178.83 178.51 1gkk h ILE 1028N 0.36 1.04 -0.95 2.39 1.08 -1.71 -2.35 117.51 117.38 1gkk h ILE 1028Ca 0.10 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1gkk h ILE 1028Cb 0.29 0.32 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 1gkk h ILE 1028CO 0.00 0.12 0.62 -0.33 -0.69 0.00 0.00 178.15 177.88 1gkk h GLU 1029N 0.66 1.23 -1.50 2.37 4.39 -0.83 -0.56 114.58 120.35 1gkk h GLU 1029Ca 0.23 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1gkk h GLU 1029Cb 0.05 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1gkk h GLU 1029CO -0.11 0.81 0.00 0.00 -1.16 0.00 0.00 179.01 178.55 1gkk n ALA 1030N -2.36 1.78 0.00 3.43 0.00 -0.66 -2.78 120.51 119.91 1gkk n ALA 1030Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1gkk n ALA 1030Cb 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.07 0.00 5.02 -0.22 -3.60 118.16 120.21 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 0.15 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 35.62 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 2.03 -1.91 7.82 0.00 -1.12 -4.81 120.51 122.53 1gkk n ALA 1033Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 1gkk n ALA 1033Cb 0.00 -1.41 -0.07 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 -3.95 4.10 0.18 0.00 1.43 -1.24 -4.94 118.68 114.27 1gkk s LEU 1034Ca 0.09 1.61 0.21 0.00 -1.03 0.00 0.00 54.13 55.02 1gkk s LEU 1034Cb 0.13 -4.22 0.88 0.00 0.03 0.00 0.00 46.19 43.01 1gkk s LEU 1034CO 0.48 -0.22 1.65 -0.81 0.23 0.00 0.00 176.35 177.68 1gkk n PRO 1035N -0.15 0.14 0.15 1.29 -0.04 -1.26 -3.19 135.00 131.94 1gkk n PRO 1035Ca 0.04 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1gkk n PRO 1035Cb 0.53 -1.76 0.52 0.00 -0.04 0.00 0.00 33.50 32.74 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 -3.93 0.54 3.86 -1.95 -3.43 115.15 110.25 1gkk h HIS 1036Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 1gkk h HIS 1036Cb 0.35 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.51 1gkk h HIS 1036CO 0.00 0.00 -0.83 -0.06 0.86 0.00 0.00 177.93 177.90 1gkk s PHE 1037N -3.37 1.66 -0.31 2.45 0.08 -1.19 -4.83 117.98 112.47 1gkk s PHE 1037Ca 0.04 -0.46 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 1gkk s PHE 1037Cb 0.09 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.46 1gkk s PHE 1037CO 0.41 -0.15 0.05 -0.51 -0.10 0.00 0.00 175.22 174.92 1gkk s ASP 1038N 0.01 5.04 -0.29 1.36 1.01 -1.26 -4.86 116.67 117.69 1gkk s ASP 1038Ca -0.03 -1.09 -0.29 0.00 0.71 0.00 0.00 52.55 51.85 1gkk s ASP 1038Cb -0.11 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 42.04 1gkk s ASP 1038CO 0.02 -0.26 1.06 -0.47 0.21 0.00 0.00 175.17 175.73 1gkk s TYR 1039N 1.36 3.21 0.00 4.23 5.04 -1.26 -0.95 117.35 128.98 1gkk s TYR 1039Ca -0.02 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 1gkk s TYR 1039Cb -0.19 -3.55 0.00 0.00 0.35 0.00 0.00 41.96 38.57 1gkk s TYR 1039CO 0.01 -0.67 0.00 -2.37 -1.34 0.00 0.00 175.55 171.18 1gkk n THR 1040N 5.69 0.00 1.11 4.34 5.66 0.25 -4.95 114.28 126.38 1gkk n THR 1040Ca 0.12 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.26 1gkk n THR 1040Cb 0.47 0.00 0.61 0.00 -1.55 0.00 0.00 70.33 69.86 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 0.07 -4.52 1.09 3.41 -0.59 -3.60 113.62 109.48 1gkk n SER 1041Ca 0.00 0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 58.44 1gkk n SER 1041Cb 0.00 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.89 6.40 0.00 4.04 -1.08 -1.00 -4.67 116.67 117.47 1gkk s ASP 1042Ca 0.17 -1.26 0.22 0.00 -0.52 0.00 0.00 52.55 51.17 1gkk s ASP 1042Cb 0.19 -2.52 1.25 0.00 -1.46 0.00 0.00 42.92 40.38 1gkk s ASP 1042CO 0.53 -1.50 1.72 0.49 0.52 0.00 0.00 175.17 176.94 1gkk n PHE 1043N 8.42 0.00 0.70 -5.34 3.72 -1.26 -1.28 117.46 122.41 1gkk n PHE 1043Ca 0.19 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.71 1gkk n PHE 1043Cb 0.49 -0.13 0.47 0.00 -0.94 0.00 0.00 39.48 39.38 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 -1.13 0.29 -0.01 4.37 3.41 -1.26 -4.28 113.62 115.01 1gkk n SER 1044Ca 0.14 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.28 1gkk n SER 1044Cb 0.12 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.45 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 -1.79 0.03 0.00 4.33 5.02 -0.41 -5.13 118.16 120.22 1gkk n LYS 1045Ca 0.05 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1gkk n LYS 1045Cb 0.30 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 3.36 5.62 0.34 0.72 0.00 -0.66 -5.02 105.19 109.56 1gkk n GLY 1046Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 0.00 -3.68 1.61 6.94 -0.13 -4.20 115.26 115.81 1gkk n ASN 1047Ca 0.00 -1.17 -0.10 0.00 -0.02 0.00 0.00 54.58 53.30 1gkk n ASN 1047Cb 0.00 -0.03 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 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 -0.69 0.02 -2.53 5.36 -1.06 -1.00 117.98 118.08 1gkk s PHE 1048Ca 0.00 1.41 -0.12 0.00 -0.96 0.00 0.00 56.93 57.26 1gkk s PHE 1048Cb 0.00 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 1gkk s PHE 1048CO 0.00 -0.39 0.26 -0.47 -1.46 0.00 0.00 175.22 173.15 1gkk s TYR 1049N 1.75 -0.06 -0.26 10.12 5.04 -0.33 -0.58 117.35 133.03 1gkk s TYR 1049Ca -0.08 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.50 1gkk s TYR 1049Cb -0.09 0.04 0.08 0.00 0.35 0.00 0.00 41.96 42.34 1gkk s TYR 1049CO -0.13 -0.43 0.06 0.12 -1.34 0.00 0.00 175.55 173.82 1gkk s PHE 1050N -2.12 1.48 -0.17 4.97 5.36 -1.26 -0.90 117.98 125.34 1gkk s PHE 1050Ca -0.08 -1.37 -0.20 0.00 -0.96 0.00 0.00 56.93 54.32 1gkk s PHE 1050Cb -0.03 -1.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.21 1gkk s PHE 1050CO -0.01 -0.76 0.57 -1.17 -1.46 0.00 0.00 175.22 172.38 1gkk s LEU 1051N 1.70 4.18 -0.23 6.12 0.20 -0.06 -4.97 118.68 125.63 1gkk s LEU 1051Ca 0.04 0.80 0.02 0.00 0.69 0.00 0.00 54.13 55.68 1gkk s LEU 1051Cb -0.17 -2.80 0.04 0.00 -0.43 0.00 0.00 46.19 42.83 1gkk s LEU 1051CO -0.17 -0.17 -0.14 -0.69 -0.29 0.00 0.00 176.35 174.89 1gkk s VAL 1052N 1.47 2.20 -0.27 1.68 1.01 -1.26 -1.18 120.40 124.06 1gkk s VAL 1052Ca 0.27 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 1gkk s VAL 1052Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1gkk s VAL 1052CO 0.11 0.20 0.94 0.00 0.00 0.00 0.00 175.10 176.34 1gkk s ALA 1053N 1.19 3.61 0.11 5.51 0.00 -0.18 -4.79 121.76 127.21 1gkk s ALA 1053Ca -0.03 -0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 1gkk s ALA 1053Cb -0.17 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 1gkk s ALA 1053CO -0.08 -1.14 1.80 -2.14 0.00 0.00 0.00 175.76 174.21 1gkk s PRO 1054N 3.15 4.15 0.00 0.00 0.02 -1.26 -0.73 135.00 140.32 1gkk s PRO 1054Ca 0.39 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.96 1gkk s PRO 1054Cb -0.14 -3.61 0.00 0.00 0.02 0.00 0.00 34.50 30.77 1gkk s PRO 1054CO 0.10 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1gkk n GLY 1055N 4.20 2.77 3.77 0.52 0.00 -1.26 -4.86 105.19 110.32 1gkk n GLY 1055Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 3.40 0.50 4.61 0.00 -1.08 -4.59 121.76 121.66 1gkk s ALA 1056Ca 0.00 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1gkk s ALA 1056Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1gkk s ALA 1056CO 0.00 -0.46 0.47 0.95 0.00 0.00 0.00 175.76 176.72 1gkk s THR 1057N -1.20 2.16 -1.29 0.00 -4.23 -1.26 -1.08 115.64 108.74 1gkk s THR 1057Ca 0.49 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.48 1gkk s THR 1057Cb -0.35 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1gkk s THR 1057CO 0.46 0.00 1.88 1.57 -0.54 0.00 0.00 174.62 177.99 1gkk n HIS 1058N -1.77 4.01 -3.67 3.99 -0.00 -1.26 -4.78 115.22 111.74 1gkk n HIS 1058Ca 0.04 -2.61 -0.12 0.00 0.46 0.00 0.00 57.72 55.49 1gkk n HIS 1058Cb 0.63 -2.57 -0.09 0.00 -0.12 0.00 0.00 29.99 27.84 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 5.08 -0.71 0.59 1.57 -0.00 -1.26 -5.03 118.94 119.18 1gkk s TRP 1059Ca 0.55 1.61 0.29 0.00 -0.00 0.00 0.00 56.10 58.55 1gkk s TRP 1059Cb 0.06 0.31 1.63 0.00 -0.00 0.00 0.00 33.47 35.46 1gkk s TRP 1059CO 0.06 -0.36 2.05 -1.49 -0.00 0.00 0.00 176.95 177.22 1gkk h TRP 1060N 5.92 0.00 -0.57 5.86 4.06 -1.91 -0.96 115.95 128.36 1gkk h TRP 1060Ca -0.30 0.00 0.10 0.00 2.06 0.00 0.00 58.89 60.75 1gkk h TRP 1060Cb 1.18 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.31 1gkk h TRP 1060CO 0.30 0.00 0.38 0.78 -3.56 0.00 0.00 178.44 176.34 1gkk h GLY 1061N 0.00 0.46 0.33 1.49 0.00 -1.94 -1.18 103.07 102.22 1gkk h GLY 1061Ca 0.11 -0.13 -0.33 0.00 0.00 0.00 0.00 47.33 46.98 1gkk h GLY 1061CO -0.00 0.08 -1.82 -1.72 0.00 0.00 0.00 176.54 173.08 1gkk n TYR 1062N -4.46 1.02 0.03 5.60 4.01 -0.43 -4.49 117.16 118.43 1gkk n TYR 1062Ca 0.09 0.29 0.03 0.00 -0.16 0.00 0.00 57.90 58.16 1gkk n TYR 1062Cb 0.40 -1.12 0.41 0.00 -0.31 0.00 0.00 39.34 38.72 1gkk n TYR 1062CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1gkk h VAL 1063N -0.36 1.12 -0.45 -0.72 2.07 -1.04 -0.47 116.25 116.40 1gkk h VAL 1063Ca -0.43 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 66.82 1gkk h VAL 1063Cb 1.75 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1gkk h VAL 1063CO -0.06 0.14 0.31 0.08 0.02 0.00 0.00 177.57 178.06 1gkk h ARG 1064N 0.49 0.31 0.00 1.57 0.11 -1.45 -0.06 114.38 115.35 1gkk h ARG 1064Ca 0.12 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 60.07 1gkk h ARG 1064Cb 0.05 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 1gkk h ARG 1064CO -0.02 0.20 -0.54 0.45 0.10 0.00 0.00 179.97 180.16 1gkk h HIS 1065N 0.32 0.00 -0.87 4.08 3.86 -1.33 -1.86 115.15 119.34 1gkk h HIS 1065Ca 0.20 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1gkk h HIS 1065Cb 0.40 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1gkk h HIS 1065CO -0.00 0.54 0.44 1.88 0.86 0.00 0.00 177.93 181.65 1gkk h TYR 1066N 0.00 1.23 -0.36 2.45 0.05 -0.97 -0.81 116.97 118.56 1gkk h TYR 1066Ca -0.01 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 1gkk h TYR 1066Cb 1.11 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 38.45 1gkk h TYR 1066CO 0.00 0.87 0.00 0.82 -1.05 0.00 0.00 178.16 178.81 1gkk h ILE 1067N 1.23 1.26 -1.01 -2.88 2.04 -1.20 0.27 117.51 117.22 1gkk h ILE 1067Ca 0.30 -0.97 0.12 0.00 1.00 0.00 0.00 64.86 65.31 1gkk h ILE 1067Cb 0.08 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.25 1gkk h ILE 1067CO -0.04 0.32 0.63 0.22 0.00 0.00 0.00 178.15 179.28 1gkk h TYR 1068N 0.45 1.15 -0.01 1.37 3.20 -1.05 0.47 116.97 122.54 1gkk h TYR 1068Ca 0.10 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 61.75 1gkk h TYR 1068Cb 0.45 -0.36 0.02 0.00 1.54 0.00 0.00 36.73 38.38 1gkk h TYR 1068CO 0.04 0.45 -1.01 -0.44 -1.64 0.00 0.00 178.16 175.55 1gkk h ASP 1069N 0.99 0.91 0.22 -2.11 3.32 -0.70 -3.39 116.42 115.66 1gkk h ASP 1069Ca 0.50 -0.73 -0.35 0.00 0.02 0.00 0.00 57.03 56.47 1gkk h ASP 1069Cb 0.50 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1gkk h ASP 1069CO -0.27 1.52 -1.89 0.00 -1.72 0.00 0.00 179.24 176.88 1gkk h ALA 1070N 0.41 0.47 -0.42 3.45 0.00 -0.74 -3.39 119.26 119.03 1gkk h ALA 1070Ca -0.12 -1.37 -0.02 0.00 0.00 0.00 0.00 54.91 53.40 1gkk h ALA 1070Cb 1.66 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 20.05 1gkk h ALA 1070CO 0.20 1.33 0.19 1.25 0.00 0.00 0.00 179.25 182.23 1gkk h LEU 1071N 0.06 0.53 -1.25 0.00 5.85 -1.10 0.07 115.31 119.48 1gkk h LEU 1071Ca -0.38 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1gkk h LEU 1071Cb 2.04 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1gkk h LEU 1071CO 0.10 0.46 0.00 -2.65 -0.34 0.00 0.00 178.44 176.01 1gkk n PRO 1072N -4.39 0.14 0.00 5.25 -0.02 -1.26 -1.66 135.00 133.05 1gkk n PRO 1072Ca 0.03 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1gkk n PRO 1072Cb 0.13 -1.92 0.47 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.22 0.02 -3.47 6.00 4.02 0.01 -4.93 117.16 116.59 1gkk n TYR 1073Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 1gkk n TYR 1073Cb 0.06 -0.41 -0.05 0.00 -0.02 0.00 0.00 39.34 38.93 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 -3.00 3.44 -0.04 -0.72 0.40 -0.67 -4.56 117.98 112.83 1gkk s PHE 1074Ca 0.13 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 1gkk s PHE 1074Cb 0.18 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1gkk s PHE 1074CO 0.60 0.30 0.00 1.19 0.70 0.00 0.00 175.22 178.01 1gkk n PHE 1075N -0.18 0.00 0.08 0.36 3.72 -1.26 -4.91 117.46 115.27 1gkk n PHE 1075Ca -0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1gkk n PHE 1075Cb 0.52 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 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 -2.95 0.80 -2.60 1.38 8.25 -1.26 -4.54 115.22 114.30 1gkk n HIS 1076Ca -0.00 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.27 1gkk n HIS 1076Cb 0.03 -0.89 -0.03 0.00 1.12 0.00 0.00 29.99 30.23 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 -3.38 4.50 -1.85 -0.41 0.41 -1.26 -2.17 118.70 114.53 1gkk s GLU 1077Ca -0.02 1.55 0.00 0.00 -0.41 0.00 0.00 54.97 56.09 1gkk s GLU 1077Cb 0.10 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 1gkk s GLU 1077CO 0.81 -0.16 0.00 1.28 -0.49 0.00 0.00 175.26 176.70 1gkk n LEU 1078N 4.07 -1.80 -4.78 1.80 4.77 -1.26 -4.97 117.00 114.83 1gkk n LEU 1078Ca 0.07 0.12 -0.31 0.00 -0.03 0.00 0.00 56.01 55.86 1gkk n LEU 1078Cb 0.49 -2.88 0.07 0.00 -2.33 0.00 0.00 43.42 38.77 1gkk n LEU 1078CO 0.53 -0.43 0.71 -1.83 -1.33 0.00 0.00 177.39 175.04 1gkk s GLU 1079N -4.71 2.51 -0.50 3.23 -1.05 -0.92 -4.91 118.70 112.35 1gkk s GLU 1079Ca 0.00 1.17 0.03 0.00 -0.15 0.00 0.00 54.97 56.02 1gkk s GLU 1079Cb 0.00 -1.93 0.59 0.00 -0.44 0.00 0.00 34.13 32.35 1gkk s GLU 1079CO 0.00 -1.45 1.90 0.72 0.95 0.00 0.00 175.26 177.38 1gkk n HIS 1080N -3.20 2.97 -4.36 4.83 8.25 -1.26 -4.83 115.22 117.61 1gkk n HIS 1080Ca 0.09 -2.18 -0.20 0.00 -0.26 0.00 0.00 57.72 55.18 1gkk n HIS 1080Cb 0.53 -1.05 -0.10 0.00 1.12 0.00 0.00 29.99 30.49 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 -3.45 1.80 -0.75 4.41 3.76 -1.26 -5.10 115.29 114.70 1gkk s HIS 1081Ca 0.58 -0.53 -0.15 0.00 -0.15 0.00 0.00 55.06 54.81 1gkk s HIS 1081Cb 0.48 -0.83 0.19 0.00 1.11 0.00 0.00 32.58 33.53 1gkk s HIS 1081CO 0.07 0.41 0.72 -1.58 -0.85 0.00 0.00 174.74 173.51 1gkk s HIS 1082N -2.82 3.56 0.10 1.40 2.46 -1.26 -5.03 115.29 113.70 1gkk s HIS 1082Ca 0.23 -1.73 0.09 0.00 0.47 0.00 0.00 55.06 54.12 1gkk s HIS 1082Cb -0.02 -3.86 -0.03 0.00 -0.13 0.00 0.00 32.58 28.54 1gkk s HIS 1082CO 0.08 -1.05 -0.24 -1.01 -2.47 0.00 0.00 174.74 170.06 1gkk s HIS 1083N 0.80 2.04 -0.30 3.88 4.02 -1.26 -5.12 115.29 119.35 1gkk s HIS 1083Ca 0.15 -0.40 -0.05 0.00 1.02 0.00 0.00 55.06 55.78 1gkk s HIS 1083Cb -0.15 -1.14 0.03 0.00 -1.02 0.00 0.00 32.58 30.30 1gkk s HIS 1083CO -0.05 0.23 0.06 -1.01 1.02 0.00 0.00 174.74 174.99 1gkk s HIS 1084N -1.04 3.18 -0.12 1.40 3.76 -1.26 -5.15 115.29 116.06 1gkk s HIS 1084Ca 0.10 -1.31 0.01 0.00 -0.15 0.00 0.00 55.06 53.71 1gkk s HIS 1084Cb -0.10 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.39 1gkk s HIS 1084CO 0.04 -0.68 0.53 0.72 -0.85 0.00 0.00 174.74 174.51