#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkl n PHE 804 N 0.00 2.49 -4.58 0.66 7.35 -1.26 -5.03 117.46 117.09 1gkl n PHE 804 Ca 0.00 0.17 -0.24 0.00 -0.76 0.00 0.00 57.45 56.62 1gkl n PHE 804 Cb 0.00 -2.60 -0.16 0.00 0.35 0.00 0.00 39.48 37.06 1gkl n PHE 804 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1gkl s LYS 805 N 1.02 1.58 0.32 -4.13 -0.14 -1.26 -4.41 119.74 112.71 1gkl s LYS 805 Ca 0.77 -0.41 -0.29 0.00 -1.36 0.00 0.00 55.97 54.68 1gkl s LYS 805 Cb -0.60 -1.34 -0.10 0.00 -1.68 0.00 0.00 37.83 34.11 1gkl s LYS 805 CO 0.35 0.06 1.40 0.71 -0.76 0.00 0.00 175.35 177.12 1gkl s TYR 806 N 0.53 2.92 0.16 3.18 2.02 -1.26 -5.04 117.35 119.86 1gkl s TYR 806 Ca -0.12 1.21 0.06 0.00 -0.37 0.00 0.00 57.07 57.85 1gkl s TYR 806 Cb -0.14 -3.82 -0.04 0.00 -0.40 0.00 0.00 41.96 37.56 1gkl s TYR 806 CO 0.03 -2.44 0.08 -1.21 -1.57 0.00 0.00 175.55 170.44 1gkl s GLU 807 N -1.38 2.71 0.31 -0.62 2.02 -1.26 -4.97 118.70 115.50 1gkl s GLU 807 Ca 0.54 -0.95 0.21 0.00 0.02 0.00 0.00 54.97 54.78 1gkl s GLU 807 Cb -0.42 -2.54 0.15 0.00 0.10 0.00 0.00 34.13 31.42 1gkl s GLU 807 CO 0.52 0.48 1.34 0.66 0.02 0.00 0.00 175.26 178.28 1gkl h SER 808 N 2.57 0.00 -1.83 -0.19 4.64 -1.96 -2.76 113.55 114.03 1gkl h SER 808 Ca -0.47 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.33 1gkl h SER 808 Cb 1.20 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.92 1gkl h SER 808 CO 0.61 0.12 -1.07 0.00 -0.87 0.00 0.00 176.83 175.61 1gkl n ALA 809 N -2.17 2.02 -1.75 5.18 0.00 -1.26 -1.62 120.51 120.91 1gkl n ALA 809 Ca 0.01 -3.23 -0.41 0.00 0.00 0.00 0.00 53.44 49.81 1gkl n ALA 809 Cb 0.59 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1gkl n ALA 809 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1gkl n VAL 810 N 1.17 2.18 -4.08 0.00 3.14 -1.26 -4.99 118.33 114.49 1gkl n VAL 810 Ca 0.21 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.83 1gkl n VAL 810 Cb 0.57 -1.84 -0.05 0.00 -1.06 0.00 0.00 33.84 31.45 1gkl n VAL 810 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1gkl s GLN 811 N -2.13 2.91 0.27 1.45 -1.52 -1.26 -4.94 119.66 114.44 1gkl s GLN 811 Ca 0.56 -0.87 -0.30 0.00 -1.95 0.00 0.00 55.36 52.80 1gkl s GLN 811 Cb -0.49 -2.65 -0.11 0.00 -0.22 0.00 0.00 33.01 29.54 1gkl s GLN 811 CO 0.62 0.48 1.59 -0.47 -0.25 0.00 0.00 175.29 177.27 1gkl s TYR 812 N -1.75 2.81 -0.19 0.91 5.04 -1.26 -5.00 117.35 117.90 1gkl s TYR 812 Ca 0.31 0.75 -0.06 0.00 -2.44 0.00 0.00 57.07 55.63 1gkl s TYR 812 Cb -0.10 -4.04 0.09 0.00 0.35 0.00 0.00 41.96 38.26 1gkl s TYR 812 CO 0.23 -3.57 0.38 0.50 -1.34 0.00 0.00 175.55 171.75 1gkl s ARG 813 N -0.24 0.28 0.64 4.97 3.52 -1.26 -5.03 118.95 121.83 1gkl s ARG 813 Ca 0.64 0.90 -0.16 0.00 -0.13 0.00 0.00 55.73 56.98 1gkl s ARG 813 Cb -0.47 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.04 1gkl s ARG 813 CO 0.45 -0.31 1.14 -1.25 -0.81 0.00 0.00 175.30 174.51 1gkl s PRO 814 N 2.56 2.84 0.59 5.12 0.04 -1.26 -4.72 135.00 140.17 1gkl s PRO 814 Ca 0.01 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 1gkl s PRO 814 Cb -0.12 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1gkl s PRO 814 CO -0.12 -1.24 1.27 0.00 0.04 0.00 0.00 177.00 176.94 1gkl s ALA 815 N -2.10 2.59 0.64 8.56 0.00 -1.26 -4.95 121.76 125.24 1gkl s ALA 815 Ca 0.70 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.63 1gkl s ALA 815 Cb -0.23 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1gkl s ALA 815 CO 0.38 -1.31 0.90 -2.30 0.00 0.00 0.00 175.76 173.44 1gkl n PRO 816 N -1.46 0.72 -0.20 0.00 -0.02 -1.26 -4.85 135.00 127.93 1gkl n PRO 816 Ca 0.13 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.03 1gkl n PRO 816 Cb 0.48 -2.13 0.44 0.00 -0.02 0.00 0.00 33.50 32.27 1gkl n PRO 816 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1gkl h ASP 817 N 0.20 0.52 0.09 2.55 3.32 -2.03 0.47 116.42 121.54 1gkl h ASP 817 Ca -0.48 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1gkl h ASP 817 Cb 1.36 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 1gkl h ASP 817 CO 0.49 0.28 -0.02 0.77 -1.72 0.00 0.00 179.24 179.04 1gkl h SER 818 N 0.56 0.00 0.76 6.45 4.64 -1.97 -1.92 113.55 122.07 1gkl h SER 818 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1gkl h SER 818 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1gkl h SER 818 CO -0.14 0.02 0.00 -1.22 -0.87 0.00 0.00 176.83 174.62 1gkl n TYR 819 N -3.58 0.46 1.02 4.77 4.02 0.16 -2.46 117.16 121.55 1gkl n TYR 819 Ca -0.03 0.17 0.13 0.00 -0.01 0.00 0.00 57.90 58.17 1gkl n TYR 819 Cb 0.11 -0.78 0.47 0.00 -0.02 0.00 0.00 39.34 39.12 1gkl n TYR 819 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1gkl n LEU 820 N -1.91 0.23 -4.94 7.72 4.77 -0.72 -2.72 117.00 119.42 1gkl n LEU 820 Ca 0.03 0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 56.04 1gkl n LEU 820 Cb 0.24 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1gkl n LEU 820 CO 0.19 0.06 0.02 0.20 -1.33 0.00 0.00 177.39 176.53 1gkl s ASN 821 N -2.98 6.34 0.32 -1.43 0.01 -1.03 -4.92 114.94 111.26 1gkl s ASN 821 Ca 0.13 0.29 -0.29 0.00 -0.71 0.00 0.00 52.86 52.29 1gkl s ASN 821 Cb 0.18 -1.96 -0.12 0.00 0.41 0.00 0.00 41.25 39.76 1gkl s ASN 821 CO 0.60 -0.09 1.37 -2.65 -1.51 0.00 0.00 177.10 174.81 1gkl n PRO 822 N -1.08 2.22 -3.89 -0.60 -0.02 -1.26 -4.84 135.00 125.53 1gkl n PRO 822 Ca -0.06 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.84 1gkl n PRO 822 Cb 0.55 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 1gkl n PRO 822 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkl h PRO 824 N 5.32 0.00 -3.46 0.00 0.13 -1.98 -3.24 132.00 128.77 1gkl h PRO 824 Ca -0.52 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.85 1gkl h PRO 824 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1gkl h PRO 824 CO 0.61 0.12 1.93 1.04 -0.23 0.00 0.00 178.00 181.47 1gkl n GLN 825 N -3.44 3.69 -3.32 0.86 6.02 -1.26 -4.97 117.38 114.95 1gkl n GLN 825 Ca -0.01 -3.60 -0.38 0.00 -0.01 0.00 0.00 57.00 53.00 1gkl n GLN 825 Cb 0.29 -2.89 -0.06 0.00 1.02 0.00 0.00 30.24 28.59 1gkl n GLN 825 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gkl s ALA 826 N 0.14 3.51 0.48 -1.58 0.00 -1.23 -4.63 121.76 118.45 1gkl s ALA 826 Ca 0.39 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.83 1gkl s ALA 826 Cb 0.09 -2.67 -0.07 0.00 0.00 0.00 0.00 23.12 20.48 1gkl s ALA 826 CO 0.01 -0.13 1.24 0.20 0.00 0.00 0.00 175.76 177.09 1gkl s GLY 827 N 0.78 2.83 0.19 0.00 0.00 -1.26 -4.51 107.32 105.35 1gkl s GLY 827 Ca 0.24 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.76 1gkl s GLY 827 CO 0.09 1.59 1.06 -1.60 0.00 0.00 0.00 173.10 174.24 1gkl s ARG 828 N -2.71 4.65 -0.20 2.90 3.52 -0.85 -4.81 118.95 121.45 1gkl s ARG 828 Ca 0.65 1.66 -0.02 0.00 -0.13 0.00 0.00 55.73 57.90 1gkl s ARG 828 Cb -0.33 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1gkl s ARG 828 CO 0.40 0.17 -0.09 0.42 -0.81 0.00 0.00 175.30 175.39 1gkl s ILE 829 N -0.45 3.05 -0.19 4.11 1.01 -1.26 -0.51 121.20 126.96 1gkl s ILE 829 Ca 0.47 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1gkl s ILE 829 Cb -0.28 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1gkl s ILE 829 CO 0.35 0.46 -0.08 -0.69 0.00 0.00 0.00 174.94 174.98 1gkl s VAL 830 N 1.27 3.21 -0.10 2.92 1.01 0.40 -4.92 120.40 124.19 1gkl s VAL 830 Ca 0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 1gkl s VAL 830 Cb -0.14 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1gkl s VAL 830 CO -0.04 0.47 0.98 -0.75 0.00 0.00 0.00 175.10 175.76 1gkl s LYS 831 N 1.06 4.43 0.11 2.72 2.47 -1.26 -0.82 119.74 128.44 1gkl s LYS 831 Ca 0.00 1.35 0.09 0.00 -1.56 0.00 0.00 55.97 55.86 1gkl s LYS 831 Cb -0.15 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1gkl s LYS 831 CO -0.01 -0.28 -0.23 -1.21 0.16 0.00 0.00 175.35 173.78 1gkl s GLU 832 N 1.91 1.22 -0.04 4.03 0.41 -0.16 -5.00 118.70 121.07 1gkl s GLU 832 Ca 0.48 -1.21 0.03 0.00 -0.41 0.00 0.00 54.97 53.86 1gkl s GLU 832 Cb -0.18 -1.55 0.00 0.00 -1.78 0.00 0.00 34.13 30.62 1gkl s GLU 832 CO 0.18 0.37 -0.13 0.99 -0.49 0.00 0.00 175.26 176.18 1gkl s THR 833 N -1.11 1.12 0.15 3.63 2.01 -1.26 -1.23 115.64 118.94 1gkl s THR 833 Ca 0.09 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 1gkl s THR 833 Cb -0.10 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1gkl s THR 833 CO 0.05 0.33 0.16 -0.72 -0.69 0.00 0.00 174.62 173.75 1gkl s TYR 834 N 0.17 0.71 -0.13 4.92 1.13 -0.25 -4.99 117.35 118.91 1gkl s TYR 834 Ca -0.04 -1.06 0.02 0.00 -1.41 0.00 0.00 57.07 54.58 1gkl s TYR 834 Cb -0.11 -0.31 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 1gkl s TYR 834 CO 0.02 -0.62 -0.20 0.99 -2.51 0.00 0.00 175.55 173.22 1gkl s THR 835 N -4.03 1.91 0.00 -3.49 2.01 -1.26 -0.94 115.64 109.84 1gkl s THR 835 Ca 0.23 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1gkl s THR 835 Cb 0.06 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.87 1gkl s THR 835 CO 0.03 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 1gkl n GLY 836 N 4.06 5.58 0.21 4.40 0.00 -0.70 -4.96 105.19 113.78 1gkl n GLY 836 Ca -0.20 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 44.53 1gkl n GLY 836 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1gkl h ILE 837 N 0.00 0.00 -0.42 -0.61 3.07 -1.97 -1.19 117.51 116.40 1gkl h ILE 837 Ca 0.00 -0.25 -0.12 0.00 1.55 0.00 0.00 64.86 66.04 1gkl h ILE 837 Cb 0.00 1.07 -0.07 0.00 -0.27 0.00 0.00 36.82 37.55 1gkl h ILE 837 CO 0.00 0.00 0.06 0.59 -1.05 0.00 0.00 178.15 177.75 1gkl n ASN 838 N -2.64 3.64 0.00 2.16 3.02 -1.26 -4.82 115.26 115.36 1gkl n ASN 838 Ca 0.00 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 1gkl n ASN 838 Cb 0.20 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1gkl n ASN 838 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkl n GLY 839 N -0.66 -1.74 3.68 7.41 0.00 -0.45 -3.37 105.19 110.07 1gkl n GLY 839 Ca 0.31 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1gkl n GLY 839 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkl s THR 840 N 0.00 4.84 0.18 2.61 2.01 -1.26 -1.72 115.64 122.29 1gkl s THR 840 Ca 0.00 1.87 -0.05 0.00 0.31 0.00 0.00 61.69 63.83 1gkl s THR 840 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1gkl s THR 840 CO 0.00 0.03 0.20 -0.54 -0.69 0.00 0.00 174.62 173.62 1gkl s LYS 841 N 1.94 1.16 0.28 4.92 1.02 -0.11 -4.96 119.74 123.98 1gkl s LYS 841 Ca 0.45 -1.40 0.07 0.00 0.02 0.00 0.00 55.97 55.10 1gkl s LYS 841 Cb -0.18 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 1gkl s LYS 841 CO 0.16 -0.40 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.02 1gkl s SER 842 N -3.06 2.77 0.22 2.83 0.01 -1.26 -1.09 113.70 114.12 1gkl s SER 842 Ca 0.26 -1.19 -0.14 0.00 1.31 0.00 0.00 55.95 56.19 1gkl s SER 842 Cb 0.05 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.12 1gkl s SER 842 CO 0.05 -0.34 0.48 -1.48 0.41 0.00 0.00 173.24 172.36 1gkl s LEU 843 N -3.44 0.31 0.01 2.44 0.05 -0.37 -4.30 118.68 113.38 1gkl s LEU 843 Ca 0.30 -0.78 0.06 0.00 0.05 0.00 0.00 54.13 53.76 1gkl s LEU 843 Cb 0.04 1.85 -0.03 0.00 -2.05 0.00 0.00 46.19 46.00 1gkl s LEU 843 CO 0.12 -1.09 -0.17 0.20 -0.55 0.00 0.00 176.35 174.85 1gkl s ASN 844 N -2.96 3.81 -0.20 1.48 0.01 -0.84 -0.99 114.94 115.25 1gkl s ASN 844 Ca 0.17 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1gkl s ASN 844 Cb -0.01 -0.66 0.02 0.00 0.41 0.00 0.00 41.25 41.01 1gkl s ASN 844 CO 0.04 0.29 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.07 1gkl s VAL 845 N -0.84 2.30 -0.23 1.60 1.01 0.00 -1.01 120.40 123.23 1gkl s VAL 845 Ca 0.13 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 1gkl s VAL 845 Cb -0.10 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1gkl s VAL 845 CO 0.03 0.45 0.53 -0.47 0.00 0.00 0.00 175.10 175.65 1gkl s TYR 846 N 1.30 3.32 -0.10 5.22 6.14 0.56 -0.45 117.35 133.34 1gkl s TYR 846 Ca 0.04 0.73 -0.03 0.00 0.64 0.00 0.00 57.07 58.45 1gkl s TYR 846 Cb -0.14 -2.71 -0.03 0.00 0.42 0.00 0.00 41.96 39.49 1gkl s TYR 846 CO -0.10 -0.20 0.02 -0.51 0.64 0.00 0.00 175.55 175.40 1gkl s LEU 847 N 1.99 3.67 0.70 6.97 1.43 0.33 -1.65 118.68 132.12 1gkl s LEU 847 Ca 0.23 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 53.35 1gkl s LEU 847 Cb -0.15 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1gkl s LEU 847 CO 0.09 0.35 1.12 -2.16 0.23 0.00 0.00 176.35 175.99 1gkl s PRO 848 N -0.73 2.52 0.28 1.29 0.04 -1.25 -2.00 135.00 135.14 1gkl s PRO 848 Ca 0.12 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1gkl s PRO 848 Cb -0.12 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 1gkl s PRO 848 CO 0.02 -1.47 1.61 0.98 0.04 0.00 0.00 177.00 178.18 1gkl n TYR 849 N -2.75 2.82 -0.87 0.56 9.36 -1.26 -1.32 117.16 123.69 1gkl n TYR 849 Ca 0.11 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1gkl n TYR 849 Cb 0.52 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 1gkl n TYR 849 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gkl n GLY 850 N 2.42 0.66 3.65 2.98 0.00 -1.26 -4.98 105.19 108.66 1gkl n GLY 850 Ca 0.10 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.52 1gkl n GLY 850 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gkl n TYR 851 N -2.65 1.50 -4.07 1.61 9.36 -0.44 -4.94 117.16 117.54 1gkl n TYR 851 Ca 0.00 0.88 -0.32 0.00 3.32 0.00 0.00 57.90 61.78 1gkl n TYR 851 Cb 0.00 -2.27 -0.16 0.00 -0.63 0.00 0.00 39.34 36.29 1gkl n TYR 851 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1gkl s ASP 852 N 1.91 3.79 0.22 2.98 -1.08 -1.26 -5.01 116.67 118.22 1gkl s ASP 852 Ca 0.96 -1.05 0.13 0.00 -0.52 0.00 0.00 52.55 52.08 1gkl s ASP 852 Cb -1.24 -1.45 0.73 0.00 -1.46 0.00 0.00 42.92 39.50 1gkl s ASP 852 CO 0.65 -0.12 1.38 -2.65 0.52 0.00 0.00 175.17 174.95 1gkl n PRO 853 N 4.55 0.09 0.03 4.34 -0.02 -1.26 -1.01 135.00 141.71 1gkl n PRO 853 Ca -0.16 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1gkl n PRO 853 Cb 0.46 -1.85 0.33 0.00 -0.02 0.00 0.00 33.50 32.42 1gkl n PRO 853 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1gkl n ASN 854 N -1.97 0.47 -4.96 2.55 3.02 -1.26 -4.81 115.26 108.30 1gkl n ASN 854 Ca -0.01 0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 1gkl n ASN 854 Cb 0.08 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1gkl n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gkl s LYS 855 N -3.05 3.46 -0.17 3.52 1.02 -0.18 -5.10 119.74 119.24 1gkl s LYS 855 Ca 0.10 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.42 1gkl s LYS 855 Cb 0.16 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1gkl s LYS 855 CO 0.66 0.36 0.02 0.15 -0.92 0.00 0.00 175.35 175.62 1gkl s LYS 856 N -3.97 3.85 0.02 1.68 1.02 -1.26 -4.74 119.74 116.34 1gkl s LYS 856 Ca 0.36 -0.42 0.07 0.00 0.02 0.00 0.00 55.97 56.00 1gkl s LYS 856 Cb -0.09 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1gkl s LYS 856 CO 0.31 0.25 -0.18 0.71 -0.92 0.00 0.00 175.35 175.52 1gkl s TYR 857 N 0.39 2.55 0.70 3.18 2.02 -0.37 -4.88 117.35 120.94 1gkl s TYR 857 Ca 0.00 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 1gkl s TYR 857 Cb -0.13 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 1gkl s TYR 857 CO 0.01 0.21 1.05 0.09 -1.57 0.00 0.00 175.55 175.35 1gkl n ASN 858 N 1.75 0.86 -3.95 2.29 5.03 -1.26 -3.71 115.26 116.27 1gkl n ASN 858 Ca -0.16 0.71 -0.20 0.00 0.87 0.00 0.00 54.58 55.80 1gkl n ASN 858 Cb 0.52 -1.44 -0.16 0.00 -1.02 0.00 0.00 39.78 37.68 1gkl n ASN 858 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1gkl s ILE 859 N -1.72 0.63 -0.16 2.41 2.07 -0.86 -0.85 121.20 122.72 1gkl s ILE 859 Ca 0.76 -0.24 -0.00 0.00 -1.41 0.00 0.00 60.65 59.76 1gkl s ILE 859 Cb -0.36 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 41.67 1gkl s ILE 859 CO 0.48 0.22 -0.09 0.12 -1.91 0.00 0.00 174.94 173.76 1gkl s PHE 860 N 0.48 1.90 -0.14 3.50 5.36 -0.15 -1.11 117.98 127.83 1gkl s PHE 860 Ca -0.07 -1.14 -0.15 0.00 -0.96 0.00 0.00 56.93 54.62 1gkl s PHE 860 Cb -0.11 -1.43 -0.05 0.00 -0.34 0.00 0.00 43.02 41.10 1gkl s PHE 860 CO 0.00 -0.63 0.35 0.71 -1.46 0.00 0.00 175.22 174.19 1gkl s TYR 861 N 1.57 3.50 -0.09 10.12 1.51 -0.25 -0.87 117.35 132.84 1gkl s TYR 861 Ca 0.02 0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 56.78 1gkl s TYR 861 Cb -0.14 -2.38 0.03 0.00 -0.11 0.00 0.00 41.96 39.35 1gkl s TYR 861 CO -0.09 0.26 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.41 1gkl s LEU 862 N 0.35 0.87 -0.14 -1.29 2.96 0.38 -0.56 118.68 121.25 1gkl s LEU 862 Ca 0.19 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 1gkl s LEU 862 Cb -0.14 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1gkl s LEU 862 CO 0.06 -0.16 0.10 -0.32 -1.32 0.00 0.00 176.35 174.72 1gkl s MET 863 N 1.83 3.60 1.15 1.98 -2.45 0.21 -3.99 119.30 121.63 1gkl s MET 863 Ca 0.05 -0.23 -0.17 0.00 -1.25 0.00 0.00 55.69 54.09 1gkl s MET 863 Cb -0.12 -3.17 0.26 0.00 1.25 0.00 0.00 34.83 33.04 1gkl s MET 863 CO -0.06 0.59 1.11 -3.38 1.05 0.00 0.00 175.02 174.33 1gkl s HIS 864 N -0.51 0.93 0.29 4.11 -3.43 -1.26 -1.55 115.29 113.85 1gkl s HIS 864 Ca 0.11 0.61 0.04 0.00 -0.80 0.00 0.00 55.06 55.03 1gkl s HIS 864 Cb -0.12 -3.42 0.05 0.00 -1.43 0.00 0.00 32.58 27.66 1gkl s HIS 864 CO 0.02 -3.61 0.40 0.41 -2.00 0.00 0.00 174.74 169.95 1gkl n GLY 865 N -1.05 1.86 3.77 -1.38 0.00 -1.22 -2.46 105.19 104.71 1gkl n GLY 865 Ca 0.11 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1gkl n GLY 865 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gkl s GLY 866 N -3.31 2.69 0.00 -0.02 0.00 -1.26 -2.08 107.32 103.34 1gkl s GLY 866 Ca 0.30 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1gkl s GLY 866 CO 0.19 2.33 0.00 0.61 0.00 0.00 0.00 173.10 176.23 1gkl n GLY 867 N 1.02 1.62 1.60 0.20 0.00 -1.26 -5.00 105.19 103.37 1gkl n GLY 867 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1gkl n GLY 867 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gkl n GLU 868 N -2.00 0.88 -3.50 1.61 1.02 -0.88 -5.15 120.64 112.62 1gkl n GLU 868 Ca 0.00 -1.31 -0.11 0.00 -0.02 0.00 0.00 57.16 55.72 1gkl n GLU 868 Cb 0.00 -0.06 -0.01 0.00 -0.02 0.00 0.00 31.44 31.34 1gkl n GLU 868 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1gkl n ASN 869 N -2.61 -1.32 0.09 1.62 0.23 -1.26 -4.92 115.26 107.09 1gkl n ASN 869 Ca 0.06 -2.51 0.08 0.00 -0.53 0.00 0.00 54.58 51.67 1gkl n ASN 869 Cb 0.25 2.37 0.37 0.00 -2.08 0.00 0.00 39.78 40.69 1gkl n ASN 869 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1gkl n GLU 870 N -0.47 0.09 0.00 -3.83 0.00 -1.26 -1.89 120.64 113.28 1gkl n GLU 870 Ca -0.01 0.52 0.11 0.00 0.00 0.00 0.00 57.16 57.77 1gkl n GLU 870 Cb 0.49 -1.76 -0.06 0.00 0.00 0.00 0.00 31.44 30.11 1gkl n GLU 870 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1gkl n ASN 871 N -1.95 1.44 -0.04 -1.84 3.02 -1.26 -4.40 115.26 110.24 1gkl n ASN 871 Ca 0.00 -1.21 -0.11 0.00 -0.03 0.00 0.00 54.58 53.22 1gkl n ASN 871 Cb 0.07 0.76 -0.06 0.00 -0.61 0.00 0.00 39.78 39.94 1gkl n ASN 871 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1gkl h THR 872 N 1.07 1.19 -0.03 3.41 2.02 -1.78 -2.29 112.91 116.50 1gkl h THR 872 Ca 0.00 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 1gkl h THR 872 Cb 0.61 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1gkl h THR 872 CO 0.00 0.18 -0.21 0.40 0.37 0.00 0.00 175.52 176.26 1gkl h ILE 873 N 0.02 1.17 -0.74 3.11 2.04 -1.82 -1.42 117.51 119.86 1gkl h ILE 873 Ca 0.04 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1gkl h ILE 873 Cb 0.25 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1gkl h ILE 873 CO -0.00 0.23 0.00 0.49 0.00 0.00 0.00 178.15 178.87 1gkl n PHE 874 N -4.27 1.02 -2.07 1.37 3.72 -1.19 -2.22 117.46 113.82 1gkl n PHE 874 Ca -0.02 -0.50 -0.28 0.00 -0.05 0.00 0.00 57.45 56.60 1gkl n PHE 874 Cb 0.28 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.92 1gkl n PHE 874 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1gkl s SER 875 N -1.00 4.21 0.32 4.37 1.04 -0.53 -4.67 113.70 117.44 1gkl s SER 875 Ca 0.50 0.43 0.24 0.00 0.48 0.00 0.00 55.95 57.59 1gkl s SER 875 Cb 0.26 -0.84 1.18 0.00 0.10 0.00 0.00 66.02 66.72 1gkl s SER 875 CO 0.33 -2.03 1.72 0.78 0.98 0.00 0.00 173.24 175.02 1gkl h ASN 876 N -1.02 0.00 1.16 7.02 -0.26 -1.90 0.13 115.58 120.71 1gkl h ASN 876 Ca -0.44 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 1gkl h ASN 876 Cb 1.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 1gkl h ASN 876 CO 0.54 0.00 -0.02 0.47 -1.06 0.00 0.00 177.43 177.36 1gkl n ASP 877 N -2.31 0.31 0.01 5.81 8.00 -1.26 -4.53 116.55 122.57 1gkl n ASP 877 Ca -0.00 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1gkl n ASP 877 Cb 0.10 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1gkl n ASP 877 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1gkl n VAL 878 N -1.78 0.04 -3.13 2.53 0.31 -0.81 -4.71 118.33 110.79 1gkl n VAL 878 Ca 0.06 0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.20 1gkl n VAL 878 Cb 0.37 -0.85 0.05 0.00 -0.91 0.00 0.00 33.84 32.50 1gkl n VAL 878 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1gkl n LYS 879 N -2.75 -5.39 0.10 5.55 5.02 -0.03 -4.90 118.16 115.75 1gkl n LYS 879 Ca 0.00 0.81 0.05 0.00 -2.02 0.00 0.00 58.31 57.15 1gkl n LYS 879 Cb 0.16 -5.54 0.48 0.00 -0.02 0.00 0.00 35.03 30.10 1gkl n LYS 879 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1gkl h LEU 880 N -1.66 0.29 -1.97 -0.35 5.85 -1.72 -1.55 115.31 114.20 1gkl h LEU 880 Ca -0.50 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.22 1gkl h LEU 880 Cb 1.34 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1gkl h LEU 880 CO 0.52 0.25 0.05 0.06 -0.34 0.00 0.00 178.44 178.98 1gkl h GLN 881 N 0.34 0.04 -0.37 1.25 -0.00 -1.91 -0.48 115.11 113.99 1gkl h GLN 881 Ca 0.09 -0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.64 1gkl h GLN 881 Cb 0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1gkl h GLN 881 CO -0.01 0.03 -0.12 -0.91 -0.00 0.00 0.00 178.83 177.81 1gkl h ASN 882 N 0.04 0.75 -0.20 0.06 2.35 -1.53 0.76 115.58 117.81 1gkl h ASN 882 Ca 0.03 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 1gkl h ASN 882 Cb 0.07 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1gkl h ASN 882 CO -0.00 0.96 0.11 0.40 -1.65 0.00 0.00 177.43 177.24 1gkl h ILE 883 N 0.53 1.12 -0.37 2.81 2.04 -1.13 -1.06 117.51 121.45 1gkl h ILE 883 Ca 0.09 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1gkl h ILE 883 Cb 0.65 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1gkl h ILE 883 CO 0.04 0.11 0.19 -0.07 0.00 0.00 0.00 178.15 178.43 1gkl h LEU 884 N 0.21 0.30 -0.00 1.44 3.38 -1.02 -0.04 115.31 119.58 1gkl h LEU 884 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1gkl h LEU 884 Cb 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1gkl h LEU 884 CO -0.01 0.22 0.00 0.44 0.09 0.00 0.00 178.44 179.18 1gkl h ASP 885 N 0.40 0.00 -0.21 -0.43 3.32 -0.67 -0.84 116.42 117.99 1gkl h ASP 885 Ca 0.15 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 1gkl h ASP 885 Cb 0.04 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1gkl h ASP 885 CO -0.09 0.01 -0.29 0.45 -1.72 0.00 0.00 179.24 177.61 1gkl h HIS 886 N -0.01 0.80 -0.55 4.55 3.86 -1.06 -1.01 115.15 121.74 1gkl h HIS 886 Ca 0.00 -0.20 -0.11 0.00 -1.16 0.00 0.00 60.37 58.90 1gkl h HIS 886 Cb 0.01 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1gkl h HIS 886 CO -0.08 0.91 -0.10 0.00 0.86 0.00 0.00 177.93 179.52 1gkl h ALA 887 N 1.08 0.78 -0.35 2.45 0.00 -0.78 -1.07 119.26 121.37 1gkl h ALA 887 Ca 0.07 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1gkl h ALA 887 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1gkl h ALA 887 CO 0.06 0.67 -0.16 0.82 0.00 0.00 0.00 179.25 180.65 1gkl h ILE 888 N 0.92 1.29 -0.81 0.00 2.04 -1.04 -0.28 117.51 119.62 1gkl h ILE 888 Ca 0.14 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 1gkl h ILE 888 Cb 0.67 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1gkl h ILE 888 CO 0.05 0.42 0.43 -0.03 0.00 0.00 0.00 178.15 179.01 1gkl h MET 889 N 0.50 1.13 -0.00 2.37 4.05 -1.05 -2.25 114.93 119.68 1gkl h MET 889 Ca 0.08 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1gkl h MET 889 Cb 0.69 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1gkl h MET 889 CO 0.05 0.84 -0.06 0.09 0.23 0.00 0.00 176.91 178.06 1gkl n ASN 890 N -4.34 0.30 0.00 1.39 5.03 -0.42 -4.91 115.26 112.31 1gkl n ASN 890 Ca 0.08 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 55.00 1gkl n ASN 890 Cb 0.11 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 1gkl n ASN 890 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gkl n GLY 891 N 1.24 0.54 0.14 7.41 0.00 -0.84 -4.92 105.19 108.76 1gkl n GLY 891 Ca 0.16 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1gkl n GLY 891 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gkl h GLU 892 N 0.97 0.00 -3.86 1.61 5.08 -1.32 -3.41 114.58 113.65 1gkl h GLU 892 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1gkl h GLU 892 Cb 0.00 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.91 1gkl h GLU 892 CO 0.00 0.51 -0.76 -1.17 -1.00 0.00 0.00 179.01 176.59 1gkl s LEU 893 N -6.45 1.17 0.41 1.33 2.96 -1.11 -4.74 118.68 112.26 1gkl s LEU 893 Ca 0.04 -0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.62 1gkl s LEU 893 Cb 0.08 -0.36 -0.08 0.00 0.50 0.00 0.00 46.19 46.33 1gkl s LEU 893 CO 0.75 -0.09 1.19 -1.61 -1.32 0.00 0.00 176.35 175.27 1gkl s GLU 894 N 1.08 3.99 0.35 1.98 2.02 -1.26 -4.14 118.70 122.73 1gkl s GLU 894 Ca -0.09 1.87 -0.28 0.00 0.02 0.00 0.00 54.97 56.49 1gkl s GLU 894 Cb -0.14 -2.64 -0.12 0.00 0.10 0.00 0.00 34.13 31.33 1gkl s GLU 894 CO -0.01 -0.38 1.32 -0.35 0.02 0.00 0.00 175.26 175.86 1gkl n PRO 895 N -0.01 2.19 -3.68 0.39 -0.04 -1.26 -4.99 135.00 127.61 1gkl n PRO 895 Ca 0.05 0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 64.18 1gkl n PRO 895 Cb 0.46 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 1gkl n PRO 895 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1gkl s LEU 896 N -1.21 0.06 -0.05 1.53 2.34 -1.26 -4.50 118.68 115.59 1gkl s LEU 896 Ca 0.55 -0.40 -0.19 0.00 0.06 0.00 0.00 54.13 54.15 1gkl s LEU 896 Cb -0.55 2.14 -0.05 0.00 -0.56 0.00 0.00 46.19 47.17 1gkl s LEU 896 CO 0.62 -1.01 0.54 -0.63 -1.06 0.00 0.00 176.35 174.81 1gkl s ILE 897 N -3.85 5.04 -0.12 1.48 1.01 -0.03 -3.85 121.20 120.88 1gkl s ILE 897 Ca 0.07 1.10 0.03 0.00 0.00 0.00 0.00 60.65 61.85 1gkl s ILE 897 Cb -0.00 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.60 1gkl s ILE 897 CO -0.06 0.39 -0.21 -0.69 0.00 0.00 0.00 174.94 174.37 1gkl s VAL 898 N 0.10 1.91 -0.09 2.92 1.01 -0.66 -0.98 120.40 124.61 1gkl s VAL 898 Ca 0.29 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1gkl s VAL 898 Cb -0.17 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1gkl s VAL 898 CO 0.14 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.93 1gkl s VAL 899 N 0.71 3.01 -0.43 2.92 1.01 -0.05 -0.32 120.40 127.25 1gkl s VAL 899 Ca -0.11 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1gkl s VAL 899 Cb -0.16 -2.22 0.12 0.00 0.00 0.00 0.00 36.38 34.12 1gkl s VAL 899 CO 0.01 0.56 0.17 0.42 0.00 0.00 0.00 175.10 176.26 1gkl s THR 900 N -0.18 2.60 0.00 3.92 -4.23 -0.18 -0.47 115.64 117.10 1gkl s THR 900 Ca -0.00 -2.70 0.00 0.00 -1.18 0.00 0.00 61.69 57.81 1gkl s THR 900 Cb -0.13 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1gkl s THR 900 CO 0.03 -0.70 0.00 -0.81 -0.54 0.00 0.00 174.62 172.60 1gkl n PRO 901 N 3.84 1.17 -3.94 3.99 -0.04 -1.26 -1.99 135.00 136.77 1gkl n PRO 901 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1gkl n PRO 901 Cb 0.38 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 1gkl n PRO 901 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gkl s THR 902 N 0.50 0.08 -2.24 0.52 -1.32 -1.26 -4.14 115.64 107.79 1gkl s THR 902 Ca 0.00 -0.67 0.19 0.00 -1.21 0.00 0.00 61.69 60.01 1gkl s THR 902 Cb 0.00 -0.23 0.43 0.00 -1.51 0.00 0.00 72.50 71.18 1gkl s THR 902 CO 0.00 -0.37 1.47 2.22 -2.21 0.00 0.00 174.62 175.73 1gkl n PHE 903 N 1.93 0.33 -1.97 9.09 1.16 -1.26 -4.93 117.46 121.81 1gkl n PHE 903 Ca -0.21 -0.17 -0.29 0.00 -1.87 0.00 0.00 57.45 54.91 1gkl n PHE 903 Cb 0.56 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.48 1gkl n PHE 903 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1gkl s ASN 904 N -1.42 5.42 0.00 5.98 0.01 -1.26 -3.29 114.94 120.38 1gkl s ASN 904 Ca 0.32 1.04 0.00 0.00 -0.71 0.00 0.00 52.86 53.51 1gkl s ASN 904 Cb 0.17 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.98 1gkl s ASN 904 CO 0.25 -1.32 0.00 0.61 -1.51 0.00 0.00 177.10 175.13 1gkl n GLY 905 N -2.95 1.20 7.00 0.66 0.00 -1.26 -4.76 105.19 105.07 1gkl n GLY 905 Ca 0.07 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1gkl n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkl n GLY 906 N 1.45 2.99 0.65 -0.02 0.00 -1.22 -0.90 105.19 108.13 1gkl n GLY 906 Ca 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1gkl n GLY 906 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkl n ASN 907 N 2.52 1.89 -4.77 1.61 4.13 -1.26 -4.97 115.26 114.41 1gkl n ASN 907 Ca 0.00 -1.95 -0.39 0.00 1.68 0.00 0.00 54.58 53.93 1gkl n ASN 907 Cb 0.00 -0.22 -0.05 0.00 -1.54 0.00 0.00 39.78 37.98 1gkl n ASN 907 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gkl s THR 909 N -1.39 0.17 0.32 0.00 -4.23 -1.21 -4.54 115.64 104.76 1gkl s THR 909 Ca 0.50 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1gkl s THR 909 Cb -0.27 -2.47 0.29 0.00 1.34 0.00 0.00 72.50 71.39 1gkl s THR 909 CO 0.34 -0.07 1.92 0.00 -0.54 0.00 0.00 174.62 176.27 1gkl h ALA 910 N 2.59 1.57 -0.19 3.99 0.00 -1.90 -1.40 119.26 123.92 1gkl h ALA 910 Ca -0.36 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1gkl h ALA 910 Cb 1.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1gkl h ALA 910 CO 0.56 0.29 -0.59 0.37 0.00 0.00 0.00 179.25 179.87 1gkl h GLN 911 N 0.95 0.63 -0.02 0.00 4.15 -1.90 -3.34 115.11 115.57 1gkl h GLN 911 Ca 0.38 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1gkl h GLN 911 Cb 0.24 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1gkl h GLN 911 CO -0.14 1.04 -0.01 0.27 -1.93 0.00 0.00 178.83 178.07 1gkl n ASN 912 N -3.95 2.63 -0.12 -0.69 0.23 -0.99 -4.54 115.26 107.83 1gkl n ASN 912 Ca -0.04 -1.82 0.18 0.00 -0.53 0.00 0.00 54.58 52.37 1gkl n ASN 912 Cb 0.64 0.01 0.57 0.00 -2.08 0.00 0.00 39.78 38.91 1gkl n ASN 912 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1gkl h PHE 913 N 3.84 0.32 -0.90 -2.53 3.57 -1.38 -2.19 116.94 117.68 1gkl h PHE 913 Ca 0.00 0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.76 1gkl h PHE 913 Cb 0.82 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1gkl h PHE 913 CO 0.00 0.12 0.64 0.10 -2.23 0.00 0.00 178.31 176.94 1gkl h TYR 914 N 0.28 0.08 -0.12 0.41 -0.00 -1.85 -0.08 116.97 115.68 1gkl h TYR 914 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.04 1gkl h TYR 914 Cb 0.95 -0.03 -0.00 0.00 0.00 0.00 0.00 36.73 37.65 1gkl h TYR 914 CO -0.00 0.02 -0.06 1.96 -0.00 0.00 0.00 178.16 180.08 1gkl h GLN 915 N 0.06 0.25 -0.71 0.10 1.08 -1.76 -1.20 115.11 112.93 1gkl h GLN 915 Ca 0.43 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1gkl h GLN 915 Cb 1.64 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.03 1gkl h GLN 915 CO -0.03 0.60 0.35 1.49 -0.95 0.00 0.00 178.83 180.28 1gkl h GLU 916 N -0.10 1.00 -0.20 1.46 4.81 -1.50 -1.69 114.58 118.37 1gkl h GLU 916 Ca 0.03 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1gkl h GLU 916 Cb 0.52 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1gkl h GLU 916 CO 0.02 0.77 0.02 0.35 -0.73 0.00 0.00 179.01 179.43 1gkl h PHE 917 N 1.00 0.03 -0.23 0.92 3.57 -0.82 0.13 116.94 121.55 1gkl h PHE 917 Ca 0.25 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1gkl h PHE 917 Cb 0.09 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1gkl h PHE 917 CO 0.01 -0.00 0.02 0.00 -2.23 0.00 0.00 178.31 176.10 1gkl h ARG 918 N 0.09 0.39 0.00 1.11 3.08 -0.91 -1.65 114.38 116.49 1gkl h ARG 918 Ca 0.09 -0.11 -0.27 0.00 0.07 0.00 0.00 59.98 59.75 1gkl h ARG 918 Cb 0.10 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1gkl h ARG 918 CO -0.14 0.55 -1.53 1.96 -1.07 0.00 0.00 179.97 179.75 1gkl h GLN 919 N 0.17 0.01 0.00 0.04 4.20 -1.23 -3.42 115.11 114.88 1gkl h GLN 919 Ca 0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1gkl h GLN 919 Cb 0.37 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1gkl h GLN 919 CO 0.01 0.64 -1.00 0.09 -0.67 0.00 0.00 178.83 177.90 1gkl n ASN 920 N -3.14 0.01 -0.01 1.46 5.03 0.35 -4.69 115.26 114.28 1gkl n ASN 920 Ca -0.13 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.19 1gkl n ASN 920 Cb 1.02 -0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.69 1gkl n ASN 920 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1gkl h VAL 921 N -0.00 1.34 0.33 2.41 2.07 -1.16 -1.55 116.25 119.69 1gkl h VAL 921 Ca -0.00 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1gkl h VAL 921 Cb 1.00 2.02 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1gkl h VAL 921 CO -0.00 0.26 -0.20 0.40 0.02 0.00 0.00 177.57 178.05 1gkl h ILE 922 N -0.43 0.59 -0.66 4.57 2.04 -1.55 -0.98 117.51 121.09 1gkl h ILE 922 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1gkl h ILE 922 Cb 0.43 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1gkl h ILE 922 CO 0.00 0.00 0.36 -0.65 0.00 0.00 0.00 178.15 177.86 1gkl h PRO 923 N -0.51 0.90 0.13 2.37 0.11 -1.81 -0.46 132.00 132.74 1gkl h PRO 923 Ca -0.04 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1gkl h PRO 923 Cb 0.42 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1gkl h PRO 923 CO 0.04 0.66 -0.06 0.35 -0.21 0.00 0.00 178.00 178.78 1gkl h PHE 924 N 0.91 -0.17 -0.14 0.65 3.57 -1.06 -1.64 116.94 119.06 1gkl h PHE 924 Ca 0.23 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1gkl h PHE 924 Cb 0.02 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1gkl h PHE 924 CO 0.01 0.05 -0.06 0.28 -2.23 0.00 0.00 178.31 176.36 1gkl h VAL 925 N -0.37 1.31 -0.00 1.41 2.07 -1.06 -3.25 116.25 116.36 1gkl h VAL 925 Ca -0.02 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1gkl h VAL 925 Cb 0.30 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1gkl h VAL 925 CO 0.03 0.31 -0.07 -0.62 0.02 0.00 0.00 177.57 177.25 1gkl n GLU 926 N -4.67 0.21 0.13 1.57 1.02 -0.19 -1.31 120.64 117.40 1gkl n GLU 926 Ca -0.06 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1gkl n GLU 926 Cb 0.28 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.28 1gkl n GLU 926 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gkl h SER 927 N 0.07 0.00 0.06 1.62 4.64 -1.33 -3.38 113.55 115.23 1gkl h SER 927 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1gkl h SER 927 Cb 0.42 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.46 1gkl h SER 927 CO 0.00 0.63 -2.32 1.17 -0.87 0.00 0.00 176.83 175.44 1gkl n LYS 928 N -3.41 0.68 -4.49 4.77 4.81 -0.79 -4.99 118.16 114.75 1gkl n LYS 928 Ca 0.00 0.16 -0.31 0.00 -0.87 0.00 0.00 58.31 57.30 1gkl n LYS 928 Cb 0.72 -1.58 -0.11 0.00 0.02 0.00 0.00 35.03 34.08 1gkl n LYS 928 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1gkl s TYR 929 N -2.53 2.72 -0.76 5.64 2.02 -0.42 -5.06 117.35 118.96 1gkl s TYR 929 Ca -0.27 -0.16 -0.24 0.00 -0.37 0.00 0.00 57.07 56.04 1gkl s TYR 929 Cb 0.08 -1.51 0.06 0.00 -0.40 0.00 0.00 41.96 40.19 1gkl s TYR 929 CO 0.68 0.34 1.15 -1.12 -1.57 0.00 0.00 175.55 175.03 1gkl s SER 930 N -1.61 6.25 0.06 2.29 0.01 -1.26 -4.52 113.70 114.92 1gkl s SER 930 Ca 0.17 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.47 1gkl s SER 930 Cb -0.11 -2.48 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1gkl s SER 930 CO 0.08 -1.55 0.07 0.35 0.41 0.00 0.00 173.24 172.60 1gkl n THR 931 N 6.15 0.00 1.04 1.44 -2.24 -1.26 -1.24 114.28 118.17 1gkl n THR 931 Ca 0.06 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1gkl n THR 931 Cb 0.48 -0.74 0.60 0.00 -2.10 0.00 0.00 70.33 68.57 1gkl n THR 931 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1gkl n TYR 932 N -0.92 0.00 -1.94 4.78 4.02 -1.24 -4.41 117.16 117.45 1gkl n TYR 932 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1gkl n TYR 932 Cb 0.06 -0.40 -0.03 0.00 -0.02 0.00 0.00 39.34 38.95 1gkl n TYR 932 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gkl s ALA 933 N -2.81 3.65 -0.05 -0.72 0.00 -1.26 -4.76 121.76 115.81 1gkl s ALA 933 Ca 0.18 1.13 0.12 0.00 0.00 0.00 0.00 51.96 53.39 1gkl s ALA 933 Cb 0.17 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 1gkl s ALA 933 CO 0.44 -1.21 1.28 0.93 0.00 0.00 0.00 175.76 177.19 1gkl h GLU 934 N 8.81 0.00 -3.99 0.00 5.08 -1.87 -3.46 114.58 119.15 1gkl h GLU 934 Ca -0.42 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 1gkl h GLU 934 Cb 1.20 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 1gkl h GLU 934 CO 0.94 0.65 -0.40 -1.54 -1.00 0.00 0.00 179.01 177.65 1gkl s SER 935 N -6.45 0.11 -0.24 1.42 1.04 -1.26 -5.06 113.70 103.27 1gkl s SER 935 Ca 0.02 -0.92 0.14 0.00 0.48 0.00 0.00 55.95 55.67 1gkl s SER 935 Cb 0.09 0.39 0.67 0.00 0.10 0.00 0.00 66.02 67.27 1gkl s SER 935 CO 0.78 -0.84 1.62 0.35 0.98 0.00 0.00 173.24 176.14 1gkl n THR 936 N -0.17 2.61 -1.30 2.02 -2.24 -1.26 -3.63 114.28 110.31 1gkl n THR 936 Ca -0.08 -1.74 -0.30 0.00 -2.27 0.00 0.00 64.05 59.66 1gkl n THR 936 Cb 0.63 -0.29 0.12 0.00 -2.10 0.00 0.00 70.33 68.69 1gkl n THR 936 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1gkl s THR 937 N -2.88 2.89 0.31 4.28 -4.23 -1.26 -4.77 115.64 109.97 1gkl s THR 937 Ca 0.49 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.34 1gkl s THR 937 Cb 0.39 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.70 1gkl s THR 937 CO 0.12 -0.38 1.81 -0.65 -0.54 0.00 0.00 174.62 174.98 1gkl h PRO 938 N -1.36 0.80 -0.52 3.99 0.11 -1.98 -0.28 132.00 132.76 1gkl h PRO 938 Ca -0.48 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1gkl h PRO 938 Cb 1.27 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1gkl h PRO 938 CO 0.55 0.53 0.18 1.96 -0.21 0.00 0.00 178.00 181.01 1gkl h GLN 939 N 0.82 0.80 -0.30 1.05 7.50 -1.94 -0.16 115.11 122.88 1gkl h GLN 939 Ca 0.53 -0.16 -0.12 0.00 0.50 0.00 0.00 58.65 59.40 1gkl h GLN 939 Cb 0.75 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 1gkl h GLN 939 CO -0.31 0.73 -0.29 0.78 -1.50 0.00 0.00 178.83 178.24 1gkl h GLY 940 N 0.71 0.68 0.73 3.46 0.00 -1.43 -0.83 103.07 106.38 1gkl h GLY 940 Ca 0.17 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1gkl h GLY 940 CO -0.01 0.55 -0.02 -2.22 0.00 0.00 0.00 176.54 174.84 1gkl h ILE 941 N 0.54 1.28 -0.81 2.60 2.04 -0.96 -2.99 117.51 119.22 1gkl h ILE 941 Ca 0.07 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1gkl h ILE 941 Cb 0.77 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1gkl h ILE 941 CO 0.06 0.26 0.51 0.00 0.00 0.00 0.00 178.15 178.98 1gkl h ALA 942 N 0.70 1.38 0.00 1.87 0.00 -0.94 -1.90 119.26 120.37 1gkl h ALA 942 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1gkl h ALA 942 Cb 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gkl h ALA 942 CO 0.01 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1gkl n ALA 943 N -2.41 1.71 -0.59 0.00 0.00 -0.33 -2.62 120.51 116.26 1gkl n ALA 943 Ca 0.09 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.62 1gkl n ALA 943 Cb 0.04 -1.34 0.16 0.00 0.00 0.00 0.00 19.45 18.31 1gkl n ALA 943 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gkl n SER 944 N -1.97 2.95 0.19 0.00 3.41 -0.73 -4.78 113.62 112.69 1gkl n SER 944 Ca 0.03 -2.55 0.13 0.00 -0.26 0.00 0.00 58.87 56.22 1gkl n SER 944 Cb 0.22 -0.33 0.72 0.00 -0.26 0.00 0.00 64.21 64.56 1gkl n SER 944 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1gkl h ARG 945 N 1.17 0.00 0.00 4.33 0.11 -1.29 -1.39 114.38 117.31 1gkl h ARG 945 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1gkl h ARG 945 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1gkl h ARG 945 CO 0.07 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 178.81 1gkl n MET 946 N -4.30 0.03 -0.47 0.08 2.81 -1.26 -2.25 117.12 111.76 1gkl n MET 946 Ca 0.01 0.30 0.05 0.00 -1.81 0.00 0.00 57.70 56.25 1gkl n MET 946 Cb 0.25 -1.55 0.19 0.00 -0.71 0.00 0.00 33.22 31.40 1gkl n MET 946 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1gkl n HIS 947 N -1.61 0.41 -4.36 2.03 8.25 -0.52 -4.74 115.22 114.69 1gkl n HIS 947 Ca 0.03 -1.28 -0.20 0.00 -0.26 0.00 0.00 57.72 56.01 1gkl n HIS 947 Cb 0.16 -0.29 -0.16 0.00 1.12 0.00 0.00 29.99 30.83 1gkl n HIS 947 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1gkl s ARG 948 N -3.07 0.96 0.11 -0.41 3.52 -1.00 -2.03 118.95 117.02 1gkl s ARG 948 Ca 0.38 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1gkl s ARG 948 Cb 0.35 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.80 1gkl s ARG 948 CO 0.00 0.09 -0.05 0.20 -0.81 0.00 0.00 175.30 174.73 1gkl s GLY 949 N 0.28 0.84 -0.02 8.12 0.00 -0.26 -2.15 107.32 114.13 1gkl s GLY 949 Ca -0.04 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 1gkl s GLY 949 CO 0.01 -1.45 0.04 -0.12 0.00 0.00 0.00 173.10 171.57 1gkl s PHE 950 N -3.67 -0.01 0.32 1.90 2.19 -0.18 -1.09 117.98 117.43 1gkl s PHE 950 Ca 0.14 0.13 -0.03 0.00 0.33 0.00 0.00 56.93 57.50 1gkl s PHE 950 Cb 0.06 -0.10 -0.00 0.00 -1.31 0.00 0.00 43.02 41.66 1gkl s PHE 950 CO -0.03 -0.06 0.43 0.20 1.83 0.00 0.00 175.22 177.59 1gkl s GLY 951 N 0.54 1.42 0.00 13.12 0.00 0.28 -0.58 107.32 122.10 1gkl s GLY 951 Ca -0.04 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1gkl s GLY 951 CO -0.02 -1.02 0.00 0.61 0.00 0.00 0.00 173.10 172.68 1gkl n GLY 952 N -0.52 1.20 3.43 0.20 0.00 -0.93 -0.62 105.19 107.95 1gkl n GLY 952 Ca 0.01 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 1gkl n GLY 952 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gkl s PHE 953 N -2.00 2.94 0.00 1.61 5.36 -0.60 -0.67 117.98 124.62 1gkl s PHE 953 Ca 0.00 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 1gkl s PHE 953 Cb 0.00 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1gkl s PHE 953 CO 0.00 -0.15 0.00 0.00 -1.46 0.00 0.00 175.22 173.61 1gkl n ALA 954 N 3.65 0.00 0.11 11.12 0.00 -0.04 -0.14 120.51 135.21 1gkl n ALA 954 Ca -0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.42 1gkl n ALA 954 Cb 0.52 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.67 1gkl n ALA 954 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gkl h MET 955 N 0.00 0.00 0.00 0.00 2.86 -1.85 0.21 114.93 116.15 1gkl h MET 955 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1gkl h MET 955 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1gkl h MET 955 CO 0.00 0.00 -0.22 0.78 1.06 0.00 0.00 176.91 178.53 1gkl h GLY 956 N 0.00 0.00 0.92 8.32 0.00 -0.20 -0.82 103.07 111.28 1gkl h GLY 956 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 1gkl h GLY 956 CO -0.00 0.00 -0.25 -1.33 0.00 0.00 0.00 176.54 174.96 1gkl h GLY 957 N 1.90 0.68 0.53 4.60 0.00 -0.46 -1.83 103.07 108.49 1gkl h GLY 957 Ca -0.00 -0.69 0.07 0.00 0.00 0.00 0.00 47.33 46.71 1gkl h GLY 957 CO 0.03 0.62 0.16 -2.00 0.00 0.00 0.00 176.54 175.35 1gkl h LEU 958 N 0.34 0.15 -0.72 3.11 7.12 -0.92 -1.58 115.31 122.81 1gkl h LEU 958 Ca 0.04 0.06 0.10 0.00 0.13 0.00 0.00 57.88 58.22 1gkl h LEU 958 Cb 0.80 0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.91 1gkl h LEU 958 CO 0.06 0.11 0.35 0.74 -0.13 0.00 0.00 178.44 179.57 1gkl h THR 959 N 0.32 0.81 -0.51 1.05 2.02 -1.04 -1.85 112.91 113.72 1gkl h THR 959 Ca 0.23 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1gkl h THR 959 Cb 0.25 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1gkl h THR 959 CO -0.24 0.11 0.28 0.74 0.37 0.00 0.00 175.52 176.78 1gkl h THR 960 N 0.58 1.01 -0.69 3.16 2.02 -0.50 0.20 112.91 118.70 1gkl h THR 960 Ca 0.36 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 1gkl h THR 960 Cb 0.42 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1gkl h THR 960 CO -0.29 0.10 0.21 -0.50 0.37 0.00 0.00 175.52 175.41 1gkl h TRP 961 N 0.56 1.11 -0.18 3.16 4.06 -0.62 0.16 115.95 124.21 1gkl h TRP 961 Ca 0.21 -0.12 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 1gkl h TRP 961 Cb 0.07 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 1gkl h TRP 961 CO -0.08 0.90 -0.35 1.88 -3.56 0.00 0.00 178.44 177.23 1gkl h TYR 962 N 1.01 0.42 -0.53 0.49 -1.99 -0.88 -1.72 116.97 113.77 1gkl h TYR 962 Ca 0.22 -0.10 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 1gkl h TYR 962 Cb 0.31 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.92 1gkl h TYR 962 CO 0.02 0.67 0.19 0.28 -0.00 0.00 0.00 178.16 179.33 1gkl h VAL 963 N 0.31 1.23 -0.07 -2.88 2.07 -0.23 -2.11 116.25 114.57 1gkl h VAL 963 Ca 0.04 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1gkl h VAL 963 Cb 0.77 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1gkl h VAL 963 CO 0.06 0.27 0.01 -0.03 0.02 0.00 0.00 177.57 177.90 1gkl h MET 964 N 0.73 0.04 0.00 1.57 1.85 -0.59 0.28 114.93 118.80 1gkl h MET 964 Ca 0.18 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.25 1gkl h MET 964 Cb 0.23 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.25 1gkl h MET 964 CO -0.01 0.02 -0.08 -0.39 -0.40 0.00 0.00 176.91 176.06 1gkl h VAL 965 N 0.04 0.16 -0.01 -5.77 -1.51 -1.28 -3.05 116.25 104.82 1gkl h VAL 965 Ca 0.03 -0.93 0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1gkl h VAL 965 Cb 0.03 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1gkl h VAL 965 CO -0.05 0.08 -0.33 0.59 -1.23 0.00 0.00 177.57 176.62 1gkl n ASN 966 N -3.15 1.67 -1.32 4.19 3.02 -0.80 -4.64 115.26 114.24 1gkl n ASN 966 Ca 0.02 -1.34 0.04 0.00 -0.03 0.00 0.00 54.58 53.27 1gkl n ASN 966 Cb 0.45 0.46 0.04 0.00 -0.61 0.00 0.00 39.78 40.11 1gkl n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkl h LEU 968 N 0.91 0.00 -2.10 0.00 3.38 -1.70 -0.59 115.31 115.22 1gkl h LEU 968 Ca -0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1gkl h LEU 968 Cb 1.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 1gkl h LEU 968 CO 0.08 0.00 -0.08 -2.24 0.09 0.00 0.00 178.44 176.29 1gkl h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.91 -3.21 116.42 112.90 1gkl h ASP 969 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1gkl h ASP 969 Cb 0.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1gkl h ASP 969 CO -0.00 0.08 -1.50 -1.22 -1.03 0.00 0.00 179.24 175.57 1gkl n TYR 970 N -3.73 0.00 -4.04 4.15 4.02 -0.34 -4.31 117.16 112.92 1gkl n TYR 970 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1gkl n TYR 970 Cb 0.18 -0.27 -0.16 0.00 -0.02 0.00 0.00 39.34 39.08 1gkl n TYR 970 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1gkl s VAL 971 N -2.83 0.30 -0.09 -0.72 1.01 -0.56 -4.34 120.40 113.17 1gkl s VAL 971 Ca -0.04 -0.04 0.14 0.00 0.00 0.00 0.00 61.98 62.04 1gkl s VAL 971 Cb 0.08 -0.34 -0.21 0.00 0.00 0.00 0.00 36.38 35.91 1gkl s VAL 971 CO 0.53 0.15 0.18 0.00 0.00 0.00 0.00 175.10 175.95 1gkl n ALA 972 N 3.77 2.05 -2.90 5.51 0.00 -0.92 -4.51 120.51 123.51 1gkl n ALA 972 Ca -0.23 -0.71 -0.32 0.00 0.00 0.00 0.00 53.44 52.18 1gkl n ALA 972 Cb 0.53 -0.27 -0.15 0.00 0.00 0.00 0.00 19.45 19.56 1gkl n ALA 972 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1gkl s TYR 973 N -2.67 2.63 -0.04 0.00 1.51 -1.13 -0.73 117.35 116.92 1gkl s TYR 973 Ca -0.07 -0.67 0.03 0.00 -1.01 0.00 0.00 57.07 55.35 1gkl s TYR 973 Cb 0.07 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1gkl s TYR 973 CO 0.62 -0.19 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.70 1gkl s PHE 974 N 0.02 1.23 -0.54 2.71 0.08 -0.14 -1.01 117.98 120.32 1gkl s PHE 974 Ca -0.07 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 56.68 1gkl s PHE 974 Cb -0.15 -0.88 0.22 0.00 -0.57 0.00 0.00 43.02 41.64 1gkl s PHE 974 CO 0.05 -0.17 0.56 -0.12 -0.10 0.00 0.00 175.22 175.44 1gkl n MET 975 N 3.46 1.46 -2.40 0.44 1.56 0.25 -0.98 117.12 120.92 1gkl n MET 975 Ca -0.20 -3.97 -0.42 0.00 -0.27 0.00 0.00 57.70 52.84 1gkl n MET 975 Cb 0.53 -1.87 -0.03 0.00 2.15 0.00 0.00 33.22 34.00 1gkl n MET 975 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1gkl s PRO 976 N -1.45 4.30 -0.23 2.12 0.04 -1.25 -2.20 135.00 136.34 1gkl s PRO 976 Ca 0.34 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 1gkl s PRO 976 Cb 0.09 -3.63 0.02 0.00 0.04 0.00 0.00 34.50 31.02 1gkl s PRO 976 CO -0.11 -0.56 -0.09 -0.51 0.04 0.00 0.00 177.00 175.78 1gkl s LEU 977 N 2.67 2.90 -1.43 -3.56 1.43 0.15 -1.98 118.68 118.86 1gkl s LEU 977 Ca 0.57 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1gkl s LEU 977 Cb -0.25 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1gkl s LEU 977 CO 0.21 -0.08 0.60 -1.20 0.23 0.00 0.00 176.35 176.11 1gkl n SER 978 N 4.67 -1.44 -3.65 2.29 7.64 0.03 -0.86 113.62 122.31 1gkl n SER 978 Ca -0.18 -0.93 -0.14 0.00 1.01 0.00 0.00 58.87 58.63 1gkl n SER 978 Cb 0.48 -3.38 -0.08 0.00 -1.01 0.00 0.00 64.21 60.22 1gkl n SER 978 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1gkl s GLY 979 N -4.11 -0.49 0.40 0.23 0.00 -1.26 -3.10 107.32 98.99 1gkl s GLY 979 Ca 0.17 1.81 0.08 0.00 0.00 0.00 0.00 44.72 46.78 1gkl s GLY 979 CO 0.87 1.55 0.45 0.51 0.00 0.00 0.00 173.10 176.47 1gkl s ASP 980 N 0.26 5.36 -0.43 1.64 -4.77 -1.26 -4.65 116.67 112.82 1gkl s ASP 980 Ca -0.01 -0.56 -0.24 0.00 -3.30 0.00 0.00 52.55 48.44 1gkl s ASP 980 Cb -0.04 -0.69 0.02 0.00 -1.09 0.00 0.00 42.92 41.12 1gkl s ASP 980 CO 0.01 -0.65 0.82 -0.47 0.70 0.00 0.00 175.17 175.59 1gkl s TYR 981 N -2.39 3.01 -1.24 2.11 5.04 -1.26 -4.31 117.35 118.31 1gkl s TYR 981 Ca 0.50 0.34 -0.12 0.00 -2.44 0.00 0.00 57.07 55.35 1gkl s TYR 981 Cb -0.06 -3.66 0.17 0.00 0.35 0.00 0.00 41.96 38.76 1gkl s TYR 981 CO 0.30 -0.94 1.62 0.91 -1.34 0.00 0.00 175.55 176.09 1gkl n TRP 982 N 6.74 4.09 -3.33 4.97 8.01 -1.26 -4.76 117.44 131.90 1gkl n TRP 982 Ca 0.04 -3.12 -0.12 0.00 -1.31 0.00 0.00 57.50 52.98 1gkl n TRP 982 Cb 0.48 -2.06 -0.06 0.00 -2.01 0.00 0.00 31.31 27.66 1gkl n TRP 982 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1gkl s TYR 983 N 0.94 -0.70 0.00 -5.99 5.04 -1.26 -5.13 117.35 110.24 1gkl s TYR 983 Ca 0.41 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 1gkl s TYR 983 Cb 0.02 -0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.09 1gkl s TYR 983 CO 0.00 -1.00 0.00 0.41 -1.34 0.00 0.00 175.55 173.63 1gkl n GLY 984 N 4.69 4.03 0.63 8.97 0.00 -1.26 -3.63 105.19 118.61 1gkl n GLY 984 Ca 0.07 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1gkl n GLY 984 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkl n ASN 985 N 0.00 2.02 -3.80 1.61 3.02 -1.26 -4.88 115.26 111.98 1gkl n ASN 985 Ca 0.00 -1.62 -0.10 0.00 -0.03 0.00 0.00 54.58 52.83 1gkl n ASN 985 Cb 0.00 0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 1gkl n ASN 985 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1gkl s SER 986 N -2.08 -0.12 0.42 6.41 1.04 -1.26 -5.01 113.70 113.09 1gkl s SER 986 Ca 0.32 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1gkl s SER 986 Cb 0.20 0.49 0.90 0.00 0.10 0.00 0.00 66.02 67.72 1gkl s SER 986 CO 0.36 -0.93 2.06 -0.65 0.98 0.00 0.00 173.24 175.05 1gkl h PRO 987 N 2.39 0.45 -0.70 4.02 0.11 -1.91 -2.15 132.00 134.22 1gkl h PRO 987 Ca -0.31 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1gkl h PRO 987 Cb 1.24 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1gkl h PRO 987 CO 0.45 0.32 0.19 1.96 -0.21 0.00 0.00 178.00 180.70 1gkl h GLN 988 N 0.46 1.10 -0.70 1.05 7.50 -1.95 -0.68 115.11 121.90 1gkl h GLN 988 Ca 0.12 -0.25 0.02 0.00 0.50 0.00 0.00 58.65 59.03 1gkl h GLN 988 Cb -0.02 -0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.32 1gkl h GLN 988 CO -0.02 0.97 0.45 -0.44 -1.50 0.00 0.00 178.83 178.28 1gkl h ASP 989 N 1.04 0.76 0.11 1.46 5.19 -1.74 0.21 116.42 123.45 1gkl h ASP 989 Ca 0.22 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1gkl h ASP 989 Cb 0.34 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1gkl h ASP 989 CO -0.00 0.54 -0.05 0.11 -3.12 0.00 0.00 179.24 176.72 1gkl h LYS 990 N 0.90 -0.14 -0.69 3.56 1.57 -1.05 -1.27 116.57 119.47 1gkl h LYS 990 Ca 0.27 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1gkl h LYS 990 Cb -0.05 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1gkl h LYS 990 CO -0.08 -0.03 0.42 0.00 -0.57 0.00 0.00 179.45 179.19 1gkl h ALA 991 N 0.68 0.87 -0.30 3.86 0.00 -0.92 -2.31 119.26 121.14 1gkl h ALA 991 Ca -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1gkl h ALA 991 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1gkl h ALA 991 CO 0.02 0.34 -0.05 -0.91 0.00 0.00 0.00 179.25 178.65 1gkl h ASN 992 N 0.93 0.44 -0.41 0.00 2.35 -0.43 0.01 115.58 118.47 1gkl h ASN 992 Ca 0.25 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1gkl h ASN 992 Cb -0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1gkl h ASN 992 CO -0.05 0.55 0.03 -1.28 -1.65 0.00 0.00 177.43 175.03 1gkl h SER 993 N 0.45 0.67 -0.48 5.81 0.87 -0.89 0.95 113.55 120.93 1gkl h SER 993 Ca 0.09 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1gkl h SER 993 Cb 0.37 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1gkl h SER 993 CO 0.02 0.79 0.23 0.40 -0.53 0.00 0.00 176.83 177.73 1gkl h ILE 994 N 0.53 1.19 -0.65 2.23 2.04 -1.00 -1.73 117.51 120.13 1gkl h ILE 994 Ca 0.12 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1gkl h ILE 994 Cb 0.42 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1gkl h ILE 994 CO 0.01 0.21 0.42 0.00 0.00 0.00 0.00 178.15 178.79 1gkl h ALA 995 N 1.07 0.83 -0.56 1.87 0.00 -0.73 -0.94 119.26 120.79 1gkl h ALA 995 Ca 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1gkl h ALA 995 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1gkl h ALA 995 CO -0.02 0.21 0.10 0.93 0.00 0.00 0.00 179.25 180.47 1gkl h GLU 996 N 0.84 0.89 -0.55 0.00 5.08 -0.61 0.80 114.58 121.04 1gkl h GLU 996 Ca 0.25 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1gkl h GLU 996 Cb -0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1gkl h GLU 996 CO -0.07 0.82 0.12 0.00 -1.00 0.00 0.00 179.01 178.89 1gkl h ALA 997 N 1.26 0.73 -0.28 3.43 0.00 -0.79 -0.79 119.26 122.82 1gkl h ALA 997 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1gkl h ALA 997 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gkl h ALA 997 CO 0.01 0.44 0.16 0.82 0.00 0.00 0.00 179.25 180.68 1gkl h ILE 998 N 0.78 1.10 -0.35 0.00 2.04 -0.67 -1.34 117.51 119.07 1gkl h ILE 998 Ca 0.17 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1gkl h ILE 998 Cb 0.36 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1gkl h ILE 998 CO 0.00 0.10 0.03 0.78 0.00 0.00 0.00 178.15 179.07 1gkl h ASN 999 N 0.35 -0.07 -0.30 1.72 -0.26 -0.59 -2.18 115.58 114.25 1gkl h ASN 999 Ca 0.10 0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1gkl h ASN 999 Cb 0.02 0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1gkl h ASN 999 CO -0.02 0.00 0.13 0.03 -1.06 0.00 0.00 177.43 176.52 1gkl h ARG 1000N 0.14 0.49 0.00 0.81 2.47 -0.91 -2.58 114.38 114.80 1gkl h ARG 1000Ca 0.17 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1gkl h ARG 1000Cb 0.21 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1gkl h ARG 1000CO -0.25 0.42 -0.18 0.66 0.56 0.00 0.00 179.97 181.18 1gkl h SER 1001N 0.49 0.00 0.00 7.04 4.64 -0.60 -3.47 113.55 121.65 1gkl h SER 1001Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1gkl h SER 1001Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1gkl h SER 1001CO -0.01 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1gkl n GLY 1002N -0.07 0.65 3.77 -0.77 0.00 -0.97 -5.00 105.19 102.80 1gkl n GLY 1002Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1gkl n GLY 1002CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkl s LEU 1003N 0.00 3.73 0.68 0.99 1.43 -1.26 -5.04 118.68 119.21 1gkl s LEU 1003Ca 0.00 2.18 -0.10 0.00 -1.03 0.00 0.00 54.13 55.18 1gkl s LEU 1003Cb 0.00 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.66 1gkl s LEU 1003CO 0.00 -1.26 1.05 -0.94 0.23 0.00 0.00 176.35 175.43 1gkl s SER 1004N -1.81 5.39 0.09 2.29 1.04 -1.26 -4.93 113.70 114.50 1gkl s SER 1004Ca 0.73 0.96 0.11 0.00 0.48 0.00 0.00 55.95 58.22 1gkl s SER 1004Cb -0.24 -1.78 0.51 0.00 0.10 0.00 0.00 66.02 64.61 1gkl s SER 1004CO 0.28 -1.32 1.34 0.29 0.98 0.00 0.00 173.24 174.81 1gkl n LYS 1005N -2.91 0.05 -0.26 4.02 5.02 -1.26 -1.51 118.16 121.31 1gkl n LYS 1005Ca 0.06 0.44 0.09 0.00 -2.02 0.00 0.00 58.31 56.89 1gkl n LYS 1005Cb 0.58 -1.63 0.25 0.00 -0.02 0.00 0.00 35.03 34.21 1gkl n LYS 1005CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gkl n ARG 1006N -1.73 2.27 0.00 1.97 5.12 -1.26 -4.26 116.66 118.77 1gkl n ARG 1006Ca 0.01 -1.97 0.00 0.00 -1.93 0.00 0.00 57.85 53.96 1gkl n ARG 1006Cb 0.08 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1gkl n ARG 1006CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gkl n GLU 1007N 1.11 1.55 -3.76 5.56 1.02 -0.57 -4.97 120.64 120.58 1gkl n GLU 1007Ca 0.18 -1.10 -0.13 0.00 -0.02 0.00 0.00 57.16 56.09 1gkl n GLU 1007Cb 0.47 -0.96 -0.09 0.00 -0.02 0.00 0.00 31.44 30.84 1gkl n GLU 1007CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1gkl s TYR 1008N -0.62 -0.20 -0.09 -0.32 -0.85 -1.26 -4.69 117.35 109.33 1gkl s TYR 1008Ca 0.00 0.35 -0.05 0.00 -0.52 0.00 0.00 57.07 56.85 1gkl s TYR 1008Cb 0.00 0.10 0.04 0.00 0.38 0.00 0.00 41.96 42.48 1gkl s TYR 1008CO 0.00 -0.36 0.21 -0.06 -1.52 0.00 0.00 175.55 173.82 1gkl s PHE 1009N -1.12 -0.26 -0.16 -3.49 0.40 0.09 -4.80 117.98 108.65 1gkl s PHE 1009Ca -0.12 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 1gkl s PHE 1009Cb -0.05 0.03 0.03 0.00 0.51 0.00 0.00 43.02 43.54 1gkl s PHE 1009CO 0.04 -0.18 -0.12 0.08 0.70 0.00 0.00 175.22 175.74 1gkl s VAL 1010N 0.89 1.53 -0.44 -0.44 1.01 -0.24 -0.96 120.40 121.76 1gkl s VAL 1010Ca -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1gkl s VAL 1010Cb -0.08 -1.51 0.12 0.00 0.00 0.00 0.00 36.38 34.91 1gkl s VAL 1010CO -0.05 0.35 0.19 0.12 0.00 0.00 0.00 175.10 175.71 1gkl s PHE 1011N 1.48 3.53 0.30 5.22 2.19 -0.16 -1.35 117.98 129.20 1gkl s PHE 1011Ca 0.03 -2.88 -0.06 0.00 0.33 0.00 0.00 56.93 54.36 1gkl s PHE 1011Cb -0.14 -3.01 -0.05 0.00 -1.31 0.00 0.00 43.02 38.51 1gkl s PHE 1011CO -0.10 -0.89 0.58 0.00 1.83 0.00 0.00 175.22 176.65 1gkl s ALA 1012N 0.52 3.58 -0.01 11.12 0.00 -0.16 -3.82 121.76 132.99 1gkl s ALA 1012Ca 0.13 -0.50 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 1gkl s ALA 1012Cb -0.22 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.59 1gkl s ALA 1012CO -0.04 0.23 0.46 0.00 0.00 0.00 0.00 175.76 176.40 1gkl s ALA 1013N -2.10 -1.17 0.26 0.00 0.00 -0.84 -1.13 121.76 116.79 1gkl s ALA 1013Ca 0.45 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.94 1gkl s ALA 1013Cb -0.11 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1gkl s ALA 1013CO 0.29 -0.36 0.53 -2.37 0.00 0.00 0.00 175.76 173.85 1gkl n THR 1014N 0.91 0.00 -4.16 0.00 5.66 -0.42 -0.79 114.28 115.49 1gkl n THR 1014Ca -0.20 -0.65 -0.25 0.00 -3.05 0.00 0.00 64.05 59.90 1gkl n THR 1014Cb 0.58 0.65 -0.06 0.00 -1.55 0.00 0.00 70.33 69.94 1gkl n THR 1014CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1gkl s GLY 1015N -2.37 1.67 0.35 1.09 0.00 -1.26 -1.04 107.32 105.76 1gkl s GLY 1015Ca 0.11 -1.35 0.27 0.00 0.00 0.00 0.00 44.72 43.74 1gkl s GLY 1015CO 0.08 -1.37 1.80 1.48 0.00 0.00 0.00 173.10 175.08 1gkl h SER 1016N 2.34 0.00 -0.35 1.64 4.64 -0.96 -2.09 113.55 118.76 1gkl h SER 1016Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1gkl h SER 1016Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1gkl h SER 1016CO 0.60 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.94 1gkl n GLU 1017N -2.55 3.33 -3.62 4.77 -0.58 -0.36 -4.87 120.64 116.77 1gkl n GLU 1017Ca 0.02 -2.82 -0.37 0.00 -0.42 0.00 0.00 57.16 53.57 1gkl n GLU 1017Cb 0.29 -1.87 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 1gkl n GLU 1017CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1gkl s ASP 1018N -1.57 6.20 0.56 1.62 -1.08 -0.79 -4.33 116.67 117.29 1gkl s ASP 1018Ca 0.43 0.21 0.37 0.00 -0.52 0.00 0.00 52.55 53.05 1gkl s ASP 1018Cb 0.33 -2.13 1.91 0.00 -1.46 0.00 0.00 42.92 41.57 1gkl s ASP 1018CO 0.12 0.06 2.13 -0.29 0.52 0.00 0.00 175.17 177.71 1gkl h ILE 1019N 4.95 0.00 0.00 4.11 2.10 -1.93 -0.37 117.51 126.38 1gkl h ILE 1019Ca -0.38 -0.13 -0.01 0.00 1.08 0.00 0.00 64.86 65.42 1gkl h ILE 1019Cb 1.17 1.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1gkl h ILE 1019CO 0.69 0.00 -0.03 0.00 -1.08 0.00 0.00 178.15 177.72 1gkl h ALA 1020N 2.02 1.17 -0.94 0.18 0.00 -1.92 -2.94 119.26 116.82 1gkl h ALA 1020Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1gkl h ALA 1020Cb 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1gkl h ALA 1020CO 0.00 0.04 0.62 -0.92 0.00 0.00 0.00 179.25 178.99 1gkl h TYR 1021N 0.00 1.14 -0.56 0.00 3.20 -1.32 -0.05 116.97 119.38 1gkl h TYR 1021Ca -0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1gkl h TYR 1021Cb 0.18 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1gkl h TYR 1021CO 0.00 0.64 0.37 0.00 -1.64 0.00 0.00 178.16 177.53 1gkl h ALA 1022N 1.46 1.66 0.10 1.82 0.00 -1.71 -0.67 119.26 121.92 1gkl h ALA 1022Ca 0.38 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.92 1gkl h ALA 1022Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1gkl h ALA 1022CO -0.13 0.29 -1.84 -0.91 0.00 0.00 0.00 179.25 176.66 1gkl h ASN 1023N 0.70 0.33 -0.25 0.00 4.21 -1.61 -3.39 115.58 115.55 1gkl h ASN 1023Ca 0.22 -0.66 -0.08 0.00 1.21 0.00 0.00 56.30 56.98 1gkl h ASN 1023Cb 0.01 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 1gkl h ASN 1023CO -0.05 1.59 -0.15 0.24 -1.29 0.00 0.00 177.43 177.76 1gkl h MET 1024N 0.06 0.55 -0.22 0.81 2.86 -0.75 -3.29 114.93 114.95 1gkl h MET 1024Ca -0.36 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.07 1gkl h MET 1024Cb 2.03 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.65 1gkl h MET 1024CO 0.10 0.82 -0.00 -0.97 1.06 0.00 0.00 176.91 177.92 1gkl h ASN 1025N 0.27 -0.10 -0.64 1.22 -1.24 -1.32 0.12 115.58 113.90 1gkl h ASN 1025Ca 0.05 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.12 1gkl h ASN 1025Cb 0.67 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.78 1gkl h ASN 1025CO 0.04 -0.02 0.42 -0.65 -1.29 0.00 0.00 177.43 175.94 1gkl h PRO 1026N 0.07 0.84 -0.37 6.67 0.11 -1.77 -0.32 132.00 137.22 1gkl h PRO 1026Ca 0.11 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1gkl h PRO 1026Cb 0.14 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1gkl h PRO 1026CO -0.18 0.55 0.02 0.37 -0.21 0.00 0.00 178.00 178.55 1gkl h GLN 1027N 0.86 0.64 -0.58 1.05 4.15 -1.36 -1.65 115.11 118.21 1gkl h GLN 1027Ca 0.24 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1gkl h GLN 1027Cb -0.09 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1gkl h GLN 1027CO -0.05 0.73 0.39 0.82 -1.93 0.00 0.00 178.83 178.79 1gkl h ILE 1028N 0.46 1.15 -0.69 2.39 1.08 -0.52 -0.57 117.51 120.81 1gkl h ILE 1028Ca 0.11 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1gkl h ILE 1028Cb 0.43 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 1gkl h ILE 1028CO 0.02 0.14 0.40 -0.33 -0.69 0.00 0.00 178.15 177.69 1gkl h GLU 1029N 0.79 0.95 -0.64 2.37 4.39 -0.93 0.05 114.58 121.57 1gkl h GLU 1029Ca 0.21 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.76 1gkl h GLU 1029Cb -0.09 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.34 1gkl h GLU 1029CO -0.05 0.69 0.16 0.00 -1.16 0.00 0.00 179.01 178.65 1gkl h ALA 1030N 1.21 1.07 -0.46 3.43 0.00 -0.93 -2.72 119.26 120.86 1gkl h ALA 1030Ca 0.25 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1gkl h ALA 1030Cb -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1gkl h ALA 1030CO -0.04 0.62 -0.10 0.52 0.00 0.00 0.00 179.25 180.24 1gkl h MET 1031N 0.96 0.83 -0.72 0.00 2.86 -0.51 -2.90 114.93 115.45 1gkl h MET 1031Ca 0.20 -0.28 0.09 0.00 -2.06 0.00 0.00 59.70 57.66 1gkl h MET 1031Cb 0.34 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1gkl h MET 1031CO -0.00 0.90 0.48 0.87 1.06 0.00 0.00 176.91 180.22 1gkl h LYS 1032N 0.75 0.60 0.00 1.72 1.57 -0.69 -1.36 116.57 119.17 1gkl h LYS 1032Ca 0.13 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1gkl h LYS 1032Cb 0.60 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1gkl h LYS 1032CO 0.04 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.32 1gkl n ALA 1033N -2.47 1.82 -1.78 3.86 0.00 -1.10 -4.78 120.51 116.07 1gkl n ALA 1033Ca 0.12 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1gkl n ALA 1033Cb 0.33 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1gkl n ALA 1033CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gkl s LEU 1034N -4.46 4.25 0.24 0.00 1.43 -0.51 -4.93 118.68 114.70 1gkl s LEU 1034Ca 0.06 1.99 0.22 0.00 -1.03 0.00 0.00 54.13 55.37 1gkl s LEU 1034Cb 0.10 -4.07 0.95 0.00 0.03 0.00 0.00 46.19 43.21 1gkl s LEU 1034CO 0.44 -0.31 1.66 -0.81 0.23 0.00 0.00 176.35 177.56 1gkl n PRO 1035N 0.27 0.16 0.21 1.29 -0.04 -1.26 -2.93 135.00 132.70 1gkl n PRO 1035Ca 0.03 0.44 0.15 0.00 -0.04 0.00 0.00 63.50 64.08 1gkl n PRO 1035Cb 0.49 -1.84 0.57 0.00 -0.04 0.00 0.00 33.50 32.68 1gkl n PRO 1035CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gkl h HIS 1036N 0.00 0.00 -3.70 0.54 3.86 -1.91 -3.43 115.15 110.51 1gkl h HIS 1036Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1gkl h HIS 1036Cb 0.29 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.43 1gkl h HIS 1036CO 0.00 0.00 -0.85 -0.06 0.86 0.00 0.00 177.93 177.88 1gkl s PHE 1037N -3.48 2.04 -0.33 2.45 0.08 -1.15 -4.83 117.98 112.77 1gkl s PHE 1037Ca 0.03 -0.69 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 1gkl s PHE 1037Cb 0.09 -1.38 0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1gkl s PHE 1037CO 0.49 -0.26 0.08 -0.51 -0.10 0.00 0.00 175.22 174.91 1gkl s ASP 1038N 0.18 5.19 -0.29 1.36 1.01 -1.26 -4.83 116.67 118.03 1gkl s ASP 1038Ca -0.10 -1.14 -0.29 0.00 0.71 0.00 0.00 52.55 51.74 1gkl s ASP 1038Cb -0.14 -1.83 0.01 0.00 1.01 0.00 0.00 42.92 41.97 1gkl s ASP 1038CO 0.05 -0.30 1.10 -0.47 0.21 0.00 0.00 175.17 175.75 1gkl s TYR 1039N 1.37 3.14 0.00 4.23 5.04 -1.26 -1.31 117.35 128.57 1gkl s TYR 1039Ca -0.02 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 1gkl s TYR 1039Cb -0.19 -3.59 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1gkl s TYR 1039CO 0.02 -0.83 0.00 -2.37 -1.34 0.00 0.00 175.55 171.03 1gkl n THR 1040N 5.73 0.00 1.32 4.34 5.66 0.43 -4.95 114.28 126.81 1gkl n THR 1040Ca 0.12 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.26 1gkl n THR 1040Cb 0.47 0.00 0.62 0.00 -1.55 0.00 0.00 70.33 69.86 1gkl n THR 1040CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1gkl n SER 1041N 0.00 0.29 -4.52 1.09 3.41 -0.64 -3.64 113.62 109.61 1gkl n SER 1041Ca 0.00 -0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 57.90 1gkl n SER 1041Cb 0.00 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1gkl n SER 1041CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gkl s ASP 1042N -2.62 6.39 0.00 4.04 -1.08 -1.04 -4.70 116.67 117.67 1gkl s ASP 1042Ca 0.25 -1.24 0.20 0.00 -0.52 0.00 0.00 52.55 51.25 1gkl s ASP 1042Cb 0.20 -2.52 1.17 0.00 -1.46 0.00 0.00 42.92 40.31 1gkl s ASP 1042CO 0.50 -1.51 1.61 0.49 0.52 0.00 0.00 175.17 176.78 1gkl n PHE 1043N 8.45 0.00 0.76 -5.34 3.72 -1.26 -0.81 117.46 122.98 1gkl n PHE 1043Ca 0.19 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.72 1gkl n PHE 1043Cb 0.49 -0.07 0.45 0.00 -0.94 0.00 0.00 39.48 39.41 1gkl n PHE 1043CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1gkl n SER 1044N -1.07 0.54 0.00 4.37 3.41 -1.26 -4.14 113.62 115.46 1gkl n SER 1044Ca 0.14 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1gkl n SER 1044Cb 0.09 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1gkl n SER 1044CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1gkl n LYS 1045N -1.98 4.67 -0.29 4.33 5.02 0.01 -5.11 118.16 124.80 1gkl n LYS 1045Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1gkl n LYS 1045Cb 0.40 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 1gkl n LYS 1045CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gkl n GLY 1046N 0.69 2.68 0.37 0.72 0.00 -0.40 -4.99 105.19 104.26 1gkl n GLY 1046Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1gkl n GLY 1046CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gkl n ASN 1047N -0.28 0.00 -3.68 1.61 6.94 -0.43 -4.16 115.26 115.25 1gkl n ASN 1047Ca 0.00 -1.35 -0.10 0.00 -0.02 0.00 0.00 54.58 53.11 1gkl n ASN 1047Cb 0.00 -0.07 -0.10 0.00 -2.36 0.00 0.00 39.78 37.25 1gkl n ASN 1047CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1gkl s PHE 1048N 0.00 -0.69 0.02 -2.53 5.36 -1.10 -1.07 117.98 117.96 1gkl s PHE 1048Ca 0.00 1.44 -0.16 0.00 -0.96 0.00 0.00 56.93 57.25 1gkl s PHE 1048Cb 0.00 0.33 0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1gkl s PHE 1048CO 0.00 -0.39 0.34 -0.47 -1.46 0.00 0.00 175.22 173.25 1gkl s TYR 1049N 1.56 -0.19 -0.26 10.12 5.04 -0.45 -0.43 117.35 132.74 1gkl s TYR 1049Ca -0.09 0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.70 1gkl s TYR 1049Cb -0.08 0.13 0.08 0.00 0.35 0.00 0.00 41.96 42.44 1gkl s TYR 1049CO -0.14 -0.48 0.08 0.12 -1.34 0.00 0.00 175.55 173.79 1gkl s PHE 1050N -1.99 1.27 -0.19 4.97 5.36 -1.26 -0.99 117.98 125.15 1gkl s PHE 1050Ca -0.09 -1.29 -0.21 0.00 -0.96 0.00 0.00 56.93 54.38 1gkl s PHE 1050Cb -0.03 -1.34 -0.02 0.00 -0.34 0.00 0.00 43.02 41.29 1gkl s PHE 1050CO 0.00 -0.77 0.64 -1.17 -1.46 0.00 0.00 175.22 172.47 1gkl s LEU 1051N 1.77 4.15 -0.22 6.12 0.20 -0.28 -4.97 118.68 125.45 1gkl s LEU 1051Ca 0.05 0.86 -0.01 0.00 0.69 0.00 0.00 54.13 55.72 1gkl s LEU 1051Cb -0.17 -2.91 0.02 0.00 -0.43 0.00 0.00 46.19 42.69 1gkl s LEU 1051CO -0.20 -0.27 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.80 1gkl s VAL 1052N 1.88 2.78 -0.32 1.68 1.01 -1.26 -1.30 120.40 124.88 1gkl s VAL 1052Ca 0.29 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 1gkl s VAL 1052Cb -0.16 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1gkl s VAL 1052CO 0.11 0.34 0.68 0.00 0.00 0.00 0.00 175.10 176.23 1gkl s ALA 1053N 1.35 3.52 0.11 5.51 0.00 -0.20 -4.73 121.76 127.31 1gkl s ALA 1053Ca 0.03 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 1gkl s ALA 1053Cb -0.15 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1gkl s ALA 1053CO -0.06 -1.16 1.77 -2.14 0.00 0.00 0.00 175.76 174.16 1gkl s PRO 1054N 2.75 4.16 0.00 0.00 0.02 -1.26 -0.74 135.00 139.92 1gkl s PRO 1054Ca 0.27 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1gkl s PRO 1054Cb -0.15 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 30.79 1gkl s PRO 1054CO 0.13 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1gkl n GLY 1055N 4.15 1.78 3.76 0.52 0.00 -1.26 -4.85 105.19 109.29 1gkl n GLY 1055Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1gkl n GLY 1055CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gkl s ALA 1056N -2.96 3.32 0.51 4.61 0.00 -1.05 -4.60 121.76 121.58 1gkl s ALA 1056Ca 0.00 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.58 1gkl s ALA 1056Cb 0.00 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 20.00 1gkl s ALA 1056CO 0.00 0.21 0.52 0.95 0.00 0.00 0.00 175.76 177.44 1gkl s THR 1057N -1.31 2.16 -1.26 0.00 -4.23 -1.26 -1.23 115.64 108.51 1gkl s THR 1057Ca 0.43 -1.28 -0.19 0.00 -1.18 0.00 0.00 61.69 59.47 1gkl s THR 1057Cb -0.23 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.23 1gkl s THR 1057CO 0.29 0.00 1.72 -2.28 -0.54 0.00 0.00 174.62 173.80 1gkl s HIS 1058N -2.63 2.70 -0.25 3.99 2.46 -1.26 -4.74 115.29 115.55 1gkl s HIS 1058Ca 0.47 -1.41 -0.20 0.00 0.47 0.00 0.00 55.06 54.40 1gkl s HIS 1058Cb -0.04 -4.71 0.07 0.00 -0.13 0.00 0.00 32.58 27.77 1gkl s HIS 1058CO 0.29 -1.79 0.65 -0.46 -2.47 0.00 0.00 174.74 170.96 1gkl s TRP 1059N 4.72 -0.82 0.58 3.88 -0.00 -1.26 -5.04 118.94 121.01 1gkl s TRP 1059Ca 0.54 1.85 0.28 0.00 -0.00 0.00 0.00 56.10 58.77 1gkl s TRP 1059Cb 0.03 0.37 1.51 0.00 -0.00 0.00 0.00 33.47 35.38 1gkl s TRP 1059CO 0.06 -0.40 1.97 -1.49 -0.00 0.00 0.00 176.95 177.08 1gkl h TRP 1060N 5.81 0.00 -0.82 5.86 4.06 -1.91 -1.22 115.95 127.73 1gkl h TRP 1060Ca -0.30 0.00 0.11 0.00 2.06 0.00 0.00 58.89 60.76 1gkl h TRP 1060Cb 1.19 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.29 1gkl h TRP 1060CO 0.28 0.00 0.54 0.78 -3.56 0.00 0.00 178.44 176.47 1gkl h GLY 1061N 0.00 1.10 0.44 1.49 0.00 -1.94 -1.75 103.07 102.41 1gkl h GLY 1061Ca 0.19 -0.31 -0.30 0.00 0.00 0.00 0.00 47.33 46.91 1gkl h GLY 1061CO -0.00 0.16 -1.63 -0.97 0.00 0.00 0.00 176.54 174.10 1gkl h TYR 1062N 0.73 0.35 -0.24 5.60 0.05 -1.55 -3.41 116.97 118.50 1gkl h TYR 1062Ca 0.39 -0.25 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1gkl h TYR 1062Cb 0.51 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 1gkl h TYR 1062CO -0.00 1.64 0.08 0.28 -1.05 0.00 0.00 178.16 179.11 1gkl h VAL 1063N -0.32 1.11 -0.47 -2.88 2.07 -1.01 -0.58 116.25 114.17 1gkl h VAL 1063Ca -0.37 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 66.86 1gkl h VAL 1063Cb 1.76 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1gkl h VAL 1063CO 0.00 0.13 0.31 0.08 0.02 0.00 0.00 177.57 178.11 1gkl h ARG 1064N 0.33 0.36 0.00 1.57 0.11 -1.56 -0.37 114.38 114.84 1gkl h ARG 1064Ca 0.08 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.07 1gkl h ARG 1064Cb 0.10 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 1gkl h ARG 1064CO -0.01 0.24 -0.35 0.45 0.10 0.00 0.00 179.97 180.41 1gkl h HIS 1065N 0.38 0.00 -0.61 4.08 3.86 -1.35 -2.24 115.15 119.28 1gkl h HIS 1065Ca 0.20 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1gkl h HIS 1065Cb 0.33 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 1gkl h HIS 1065CO -0.00 0.35 0.11 1.88 0.86 0.00 0.00 177.93 181.13 1gkl h TYR 1066N 0.00 1.01 -0.42 2.45 0.05 -1.05 -0.36 116.97 118.65 1gkl h TYR 1066Ca -0.00 -0.12 -0.08 0.00 0.05 0.00 0.00 58.73 58.58 1gkl h TYR 1066Cb 0.81 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1gkl h TYR 1066CO 0.00 0.85 -0.05 0.82 -1.05 0.00 0.00 178.16 178.73 1gkl h ILE 1067N 0.92 1.27 -0.84 -2.88 2.04 -1.33 0.48 117.51 117.17 1gkl h ILE 1067Ca 0.19 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 65.01 1gkl h ILE 1067Cb 0.38 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1gkl h ILE 1067CO 0.01 0.38 0.50 0.22 0.00 0.00 0.00 178.15 179.26 1gkl h TYR 1068N 0.61 0.92 -0.16 1.37 3.20 -1.11 0.76 116.97 122.57 1gkl h TYR 1068Ca 0.11 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.80 1gkl h TYR 1068Cb 0.56 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.55 1gkl h TYR 1068CO 0.04 0.43 -0.75 -0.44 -1.64 0.00 0.00 178.16 175.80 1gkl h ASP 1069N 0.88 0.91 0.17 -2.11 3.32 -0.72 -3.39 116.42 115.48 1gkl h ASP 1069Ca 0.39 -0.58 -0.36 0.00 0.02 0.00 0.00 57.03 56.50 1gkl h ASP 1069Cb 0.27 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1gkl h ASP 1069CO -0.21 1.38 -2.02 0.00 -1.72 0.00 0.00 179.24 176.67 1gkl n ALA 1070N -2.59 1.08 -0.20 3.45 0.00 0.13 -4.37 120.51 118.01 1gkl n ALA 1070Ca -0.07 -0.71 0.04 0.00 0.00 0.00 0.00 53.44 52.70 1gkl n ALA 1070Cb 0.73 -0.63 0.30 0.00 0.00 0.00 0.00 19.45 19.86 1gkl n ALA 1070CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gkl h LEU 1071N 0.05 0.76 -2.23 0.00 5.85 -1.04 0.27 115.31 118.96 1gkl h LEU 1071Ca -0.42 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1gkl h LEU 1071Cb 2.02 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1gkl h LEU 1071CO 0.06 0.52 0.01 -0.65 -0.34 0.00 0.00 178.44 178.03 1gkl h PRO 1072N 0.88 0.00 0.00 5.25 0.11 -1.76 -1.41 132.00 135.06 1gkl h PRO 1072Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1gkl h PRO 1072Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1gkl h PRO 1072CO -0.09 0.00 -0.16 0.66 -0.21 0.00 0.00 178.00 178.19 1gkl n TYR 1073N -2.68 0.12 -3.30 0.65 4.02 0.08 -4.93 117.16 111.13 1gkl n TYR 1073Ca -0.02 0.03 -0.31 0.00 -0.01 0.00 0.00 57.90 57.59 1gkl n TYR 1073Cb 0.06 -0.49 -0.05 0.00 -0.02 0.00 0.00 39.34 38.84 1gkl n TYR 1073CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1gkl s PHE 1074N -3.02 3.43 -0.59 -0.72 0.40 -0.53 -4.55 117.98 112.39 1gkl s PHE 1074Ca 0.12 0.91 0.00 0.00 -0.60 0.00 0.00 56.93 57.37 1gkl s PHE 1074Cb 0.18 -2.30 0.00 0.00 0.51 0.00 0.00 43.02 41.41 1gkl s PHE 1074CO 0.59 0.18 0.00 1.19 0.70 0.00 0.00 175.22 177.88 1gkl n PHE 1075N -0.43 -0.18 0.31 0.36 3.72 -1.26 -4.92 117.46 115.07 1gkl n PHE 1075Ca 0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1gkl n PHE 1075Cb 0.53 -1.70 -0.12 0.00 -0.94 0.00 0.00 39.48 37.25 1gkl n PHE 1075CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1gkl n HIS 1076N -3.54 0.00 -2.72 1.38 8.25 -1.26 -4.59 115.22 112.74 1gkl n HIS 1076Ca -0.07 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 1gkl n HIS 1076Cb 0.42 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1gkl n HIS 1076CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1gkl s GLU 1077N -2.98 4.44 -1.73 -0.41 0.41 -1.26 -2.80 118.70 114.37 1gkl s GLU 1077Ca -0.01 1.35 0.00 0.00 -0.41 0.00 0.00 54.97 55.90 1gkl s GLU 1077Cb 0.12 -3.53 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1gkl s GLU 1077CO 0.72 -0.26 0.00 1.28 -0.49 0.00 0.00 175.26 176.51 1gkl n LEU 1078N 4.79 -1.82 -4.81 1.80 4.77 -1.26 -4.98 117.00 115.49 1gkl n LEU 1078Ca 0.08 0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.80 1gkl n LEU 1078Cb 0.49 -2.77 0.05 0.00 -2.33 0.00 0.00 43.42 38.87 1gkl n LEU 1078CO 0.52 -0.32 0.71 -1.83 -1.33 0.00 0.00 177.39 175.13 1gkl s GLU 1079N -4.78 2.87 0.16 3.23 -1.05 -1.12 -4.98 118.70 113.03 1gkl s GLU 1079Ca 0.00 0.98 0.23 0.00 -0.15 0.00 0.00 54.97 56.02 1gkl s GLU 1079Cb 0.00 -1.98 0.07 0.00 -0.44 0.00 0.00 34.13 31.78 1gkl s GLU 1079CO 0.00 -1.15 1.08 0.72 0.95 0.00 0.00 175.26 176.86 1gkl n HIS 1080N -3.17 0.76 -2.47 4.83 8.25 -1.26 -4.86 115.22 117.31 1gkl n HIS 1080Ca 0.08 0.22 -0.30 0.00 -0.26 0.00 0.00 57.72 57.46 1gkl n HIS 1080Cb 0.53 -0.81 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 1gkl n HIS 1080CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1gkl s HIS 1081N -3.31 3.53 -0.76 4.41 3.76 -1.26 -5.01 115.29 116.66 1gkl s HIS 1081Ca 0.01 1.12 -0.19 0.00 -0.15 0.00 0.00 55.06 55.85 1gkl s HIS 1081Cb 0.11 -2.54 0.12 0.00 1.11 0.00 0.00 32.58 31.38 1gkl s HIS 1081CO 0.78 -0.34 0.93 -1.58 -0.85 0.00 0.00 174.74 173.68 1gkl s HIS 1082N -2.72 3.04 0.10 1.40 2.46 -1.26 -5.01 115.29 113.30 1gkl s HIS 1082Ca 0.52 -1.12 0.08 0.00 0.47 0.00 0.00 55.06 55.02 1gkl s HIS 1082Cb -0.10 -4.17 -0.03 0.00 -0.13 0.00 0.00 32.58 28.14 1gkl s HIS 1082CO 0.41 -1.43 -0.21 -1.01 -2.47 0.00 0.00 174.74 170.03 1gkl s HIS 1083N 2.79 1.78 -0.29 3.88 4.02 -1.26 -5.12 115.29 121.09 1gkl s HIS 1083Ca 0.23 -0.42 -0.01 0.00 1.02 0.00 0.00 55.06 55.88 1gkl s HIS 1083Cb -0.14 -0.97 0.05 0.00 -1.02 0.00 0.00 32.58 30.50 1gkl s HIS 1083CO -0.00 0.20 -0.02 -1.01 1.02 0.00 0.00 174.74 174.93 1gkl s HIS 1084N -1.17 3.25 -0.60 1.40 3.76 -1.26 -5.16 115.29 115.52 1gkl s HIS 1084Ca 0.06 -1.94 0.05 0.00 -0.15 0.00 0.00 55.06 53.08 1gkl s HIS 1084Cb -0.10 -2.07 0.04 0.00 1.11 0.00 0.00 32.58 31.56 1gkl s HIS 1084CO 0.04 -0.82 0.65 0.72 -0.85 0.00 0.00 174.74 174.49