#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gtf s ASP 8 N 0.00 4.37 0.17 -3.46 1.01 -1.26 -4.86 116.67 112.64 1gtf s ASP 8 Ca 0.00 1.96 -0.01 0.00 0.71 0.00 0.00 52.55 55.21 1gtf s ASP 8 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1gtf s ASP 8 CO 0.00 -2.13 0.09 0.72 0.21 0.00 0.00 175.17 174.06 1gtf s PHE 9 N -2.67 1.07 0.04 4.23 -0.12 -1.26 -1.92 117.98 117.34 1gtf s PHE 9 Ca 0.64 -1.29 0.07 0.00 -0.05 0.00 0.00 56.93 56.30 1gtf s PHE 9 Cb -0.20 -0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 41.62 1gtf s PHE 9 CO 0.52 -0.55 -0.20 0.08 -0.05 0.00 0.00 175.22 175.02 1gtf s VAL 10 N -4.07 1.57 -0.15 -2.49 1.01 -0.11 -4.60 120.40 111.57 1gtf s VAL 10 Ca 0.32 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1gtf s VAL 10 Cb 0.07 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1gtf s VAL 10 CO 0.08 0.20 -0.02 -0.69 0.00 0.00 0.00 175.10 174.67 1gtf s VAL 11 N -0.77 4.09 -0.12 2.92 1.01 -0.23 -0.83 120.40 126.46 1gtf s VAL 11 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1gtf s VAL 11 Cb -0.09 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1gtf s VAL 11 CO 0.01 0.50 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 1gtf s ILE 12 N 0.21 1.31 -0.20 2.22 1.09 0.47 -0.90 121.20 125.39 1gtf s ILE 12 Ca -0.01 -0.49 -0.03 0.00 -1.10 0.00 0.00 60.65 59.02 1gtf s ILE 12 Cb -0.13 -1.26 -0.01 0.00 -1.06 0.00 0.00 42.46 40.00 1gtf s ILE 12 CO 0.02 0.41 -0.06 -0.75 -0.10 0.00 0.00 174.94 174.46 1gtf s LYS 13 N 1.43 3.36 -0.00 2.79 2.20 -0.12 -0.64 119.74 128.77 1gtf s LYS 13 Ca 0.02 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 1gtf s LYS 13 Cb -0.13 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 1gtf s LYS 13 CO -0.07 -0.13 1.40 0.00 -0.36 0.00 0.00 175.35 176.19 1gtf s ALA 14 N 1.29 3.58 -2.59 3.13 0.00 -0.80 -0.67 121.76 125.71 1gtf s ALA 14 Ca 0.03 0.88 0.23 0.00 0.00 0.00 0.00 51.96 53.10 1gtf s ALA 14 Cb -0.14 -3.60 0.32 0.00 0.00 0.00 0.00 23.12 19.70 1gtf s ALA 14 CO -0.03 -0.92 1.32 1.28 0.00 0.00 0.00 175.76 177.41 1gtf n LEU 15 N 5.41 3.22 -3.73 0.00 4.77 0.05 -0.59 117.00 126.12 1gtf n LEU 15 Ca 0.13 -1.30 -0.09 0.00 -0.03 0.00 0.00 56.01 54.72 1gtf n LEU 15 Cb 0.44 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1gtf n LEU 15 CO 0.59 0.64 0.35 -1.83 -1.33 0.00 0.00 177.39 175.80 1gtf s GLU 16 N -1.64 1.49 0.57 3.23 -1.05 -1.24 -4.90 118.70 115.15 1gtf s GLU 16 Ca 0.33 -0.85 -0.19 0.00 -0.15 0.00 0.00 54.97 54.11 1gtf s GLU 16 Cb 0.21 0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 34.41 1gtf s GLU 16 CO 0.30 -0.65 1.18 -0.51 0.95 0.00 0.00 175.26 176.53 1gtf s ASP 17 N -2.87 5.41 0.00 0.83 1.01 -1.26 -3.48 116.67 116.30 1gtf s ASP 17 Ca 0.09 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.68 1gtf s ASP 17 Cb -0.02 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1gtf s ASP 17 CO -0.01 -1.44 0.00 0.61 0.21 0.00 0.00 175.17 174.54 1gtf n GLY 18 N 0.40 0.48 3.75 0.21 0.00 -0.90 -4.90 105.19 104.24 1gtf n GLY 18 Ca 0.13 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1gtf n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gtf s VAL 19 N -2.00 2.93 -0.13 1.61 1.01 -0.38 -4.81 120.40 118.63 1gtf s VAL 19 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 62.80 1gtf s VAL 19 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1gtf s VAL 19 CO 0.00 0.15 -0.10 0.20 0.00 0.00 0.00 175.10 175.35 1gtf s ASN 20 N -0.00 4.24 -0.25 3.32 0.01 -0.14 -0.25 114.94 121.88 1gtf s ASN 20 Ca 0.54 -0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 52.40 1gtf s ASN 20 Cb -0.39 -1.57 0.01 0.00 0.41 0.00 0.00 41.25 39.71 1gtf s ASN 20 CO 0.45 0.19 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.51 1gtf s VAL 21 N 0.20 3.34 -0.12 1.60 1.01 -0.49 -1.51 120.40 124.43 1gtf s VAL 21 Ca -0.06 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1gtf s VAL 21 Cb -0.15 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1gtf s VAL 21 CO 0.04 0.28 -0.16 -0.63 0.00 0.00 0.00 175.10 174.63 1gtf s ILE 22 N 1.44 2.77 -0.13 2.22 1.01 0.27 -0.48 121.20 128.29 1gtf s ILE 22 Ca 0.03 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 1gtf s ILE 22 Cb -0.16 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1gtf s ILE 22 CO -0.02 0.53 0.25 -0.83 0.00 0.00 0.00 174.94 174.87 1gtf s GLY 23 N 0.36 2.21 -0.11 6.18 0.00 -0.20 -0.63 107.32 115.13 1gtf s GLY 23 Ca -0.13 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.05 1gtf s GLY 23 CO 0.06 0.18 0.08 1.08 0.00 0.00 0.00 173.10 174.51 1gtf s LEU 24 N -0.07 4.05 0.35 0.66 1.02 0.09 -1.12 118.68 123.66 1gtf s LEU 24 Ca 0.16 0.32 -0.28 0.00 0.02 0.00 0.00 54.13 54.35 1gtf s LEU 24 Cb -0.13 -1.97 -0.10 0.00 0.02 0.00 0.00 46.19 44.01 1gtf s LEU 24 CO 0.04 0.38 1.36 0.42 0.02 0.00 0.00 176.35 178.58 1gtf s THR 25 N -0.88 2.50 0.35 5.49 -4.23 0.10 -2.36 115.64 116.61 1gtf s THR 25 Ca 0.14 0.50 -0.26 0.00 -1.18 0.00 0.00 61.69 60.88 1gtf s THR 25 Cb -0.12 -3.31 -0.09 0.00 1.34 0.00 0.00 72.50 70.31 1gtf s THR 25 CO 0.03 0.12 1.01 -0.60 -0.54 0.00 0.00 174.62 174.63 1gtf s ARG 26 N -1.93 4.42 0.00 3.99 3.52 -0.81 -4.60 118.95 123.55 1gtf s ARG 26 Ca 0.51 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 1gtf s ARG 26 Cb -0.42 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1gtf s ARG 26 CO 0.56 0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.56 1gtf n GLY 27 N 0.55 0.46 0.25 8.12 0.00 -1.26 -4.74 105.19 108.56 1gtf n GLY 27 Ca 0.03 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.98 1gtf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gtf h ALA 28 N 0.00 1.02 -2.94 4.61 0.00 -2.05 -3.41 119.26 116.48 1gtf h ALA 28 Ca 0.00 -0.12 -0.62 0.00 0.00 0.00 0.00 54.91 54.17 1gtf h ALA 28 Cb 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1gtf h ALA 28 CO 0.00 0.16 -0.41 0.34 0.00 0.00 0.00 179.25 179.34 1gtf s ASP 29 N -6.00 6.40 -0.21 0.00 -1.08 -1.26 -5.08 116.67 109.43 1gtf s ASP 29 Ca 0.01 0.46 0.01 0.00 -0.52 0.00 0.00 52.55 52.52 1gtf s ASP 29 Cb 0.10 -2.12 0.04 0.00 -1.46 0.00 0.00 42.92 39.47 1gtf s ASP 29 CO 0.60 0.26 -0.13 -0.89 0.52 0.00 0.00 175.17 175.53 1gtf s THR 30 N -0.26 1.87 0.22 1.71 2.01 -1.26 -4.57 115.64 115.37 1gtf s THR 30 Ca 0.14 -1.15 -0.12 0.00 0.31 0.00 0.00 61.69 60.87 1gtf s THR 30 Cb -0.12 -1.89 -0.00 0.00 0.01 0.00 0.00 72.50 70.49 1gtf s THR 30 CO 0.03 0.21 0.43 0.00 -0.69 0.00 0.00 174.62 174.60 1gtf s ARG 31 N 1.30 1.43 0.12 4.92 1.70 -1.26 -4.95 118.95 122.20 1gtf s ARG 31 Ca -0.02 -1.20 -0.30 0.00 -0.47 0.00 0.00 55.73 53.74 1gtf s ARG 31 Cb -0.16 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 1gtf s ARG 31 CO -0.09 -0.58 1.05 -0.06 -1.08 0.00 0.00 175.30 174.55 1gtf s PHE 32 N -3.99 3.65 -0.18 5.89 0.08 -1.26 -0.72 117.98 121.44 1gtf s PHE 32 Ca 0.20 1.64 0.07 0.00 0.12 0.00 0.00 56.93 58.96 1gtf s PHE 32 Cb 0.00 -3.20 -0.09 0.00 -0.57 0.00 0.00 43.02 39.17 1gtf s PHE 32 CO 0.06 -0.35 0.23 -2.39 -0.10 0.00 0.00 175.22 172.66 1gtf n HIS 33 N 2.94 0.00 -3.64 0.36 1.44 -0.27 -4.89 115.22 111.15 1gtf n HIS 33 Ca 0.04 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 1gtf n HIS 33 Cb 0.48 -0.07 -0.07 0.00 0.12 0.00 0.00 29.99 30.45 1gtf n HIS 33 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1gtf s HIS 34 N -2.00 -0.70 -0.19 -1.40 5.65 -1.24 -5.00 115.29 110.40 1gtf s HIS 34 Ca 0.00 1.65 0.01 0.00 0.25 0.00 0.00 55.06 56.98 1gtf s HIS 34 Cb 0.05 0.26 0.04 0.00 -1.18 0.00 0.00 32.58 31.75 1gtf s HIS 34 CO 0.28 -0.37 -0.12 0.45 -0.65 0.00 0.00 174.74 174.33 1gtf s SER 35 N 0.14 3.35 -0.25 9.88 0.15 -1.26 -1.03 113.70 124.69 1gtf s SER 35 Ca -0.01 -0.85 -0.14 0.00 0.70 0.00 0.00 55.95 55.65 1gtf s SER 35 Cb -0.04 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.96 1gtf s SER 35 CO 0.02 -0.13 0.31 -0.70 1.20 0.00 0.00 173.24 173.94 1gtf s GLU 36 N 1.38 4.04 -0.13 5.44 2.56 0.37 -4.91 118.70 127.45 1gtf s GLU 36 Ca -0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 54.97 54.70 1gtf s GLU 36 Cb -0.16 -3.62 -0.03 0.00 2.00 0.00 0.00 34.13 32.32 1gtf s GLU 36 CO -0.09 -0.16 0.65 0.21 -0.56 0.00 0.00 175.26 175.31 1gtf s LYS 37 N 1.72 4.33 -0.14 4.30 2.20 -1.26 -1.40 119.74 129.49 1gtf s LYS 37 Ca 0.13 0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 56.44 1gtf s LYS 37 Cb -0.15 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1gtf s LYS 37 CO 0.09 -0.06 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.42 1gtf s LEU 38 N 1.28 2.97 0.54 5.43 1.43 0.66 -4.96 118.68 126.03 1gtf s LEU 38 Ca 0.32 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1gtf s LEU 38 Cb -0.16 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.40 1gtf s LEU 38 CO 0.13 0.17 0.75 -1.81 0.23 0.00 0.00 176.35 175.83 1gtf s ASP 39 N 0.31 5.26 0.21 2.29 1.01 -1.26 -1.25 116.67 123.24 1gtf s ASP 39 Ca -0.07 -0.17 -0.32 0.00 0.71 0.00 0.00 52.55 52.70 1gtf s ASP 39 Cb -0.15 -0.70 -0.11 0.00 1.01 0.00 0.00 42.92 42.97 1gtf s ASP 39 CO 0.04 -1.14 1.65 -0.75 0.21 0.00 0.00 175.17 175.19 1gtf s LYS 40 N -4.71 4.16 0.00 8.23 2.20 -1.23 -1.58 119.74 126.81 1gtf s LYS 40 Ca 0.58 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.71 1gtf s LYS 40 Cb -0.10 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1gtf s LYS 40 CO 0.38 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1gtf n GLY 41 N 3.63 3.37 3.79 5.54 0.00 0.24 -4.97 105.19 116.79 1gtf n GLY 41 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1gtf n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gtf s GLU 42 N -0.75 3.86 -0.05 1.61 2.02 -0.61 -4.81 118.70 119.97 1gtf s GLU 42 Ca 0.00 1.44 0.05 0.00 0.02 0.00 0.00 54.97 56.48 1gtf s GLU 42 Cb 0.00 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 32.00 1gtf s GLU 42 CO 0.00 -0.39 -0.20 0.08 0.02 0.00 0.00 175.26 174.77 1gtf s VAL 43 N -1.86 1.67 -0.10 2.63 1.01 -1.26 -1.90 120.40 120.58 1gtf s VAL 43 Ca 0.65 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1gtf s VAL 43 Cb -0.19 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1gtf s VAL 43 CO 0.23 0.47 -0.19 -0.22 0.00 0.00 0.00 175.10 175.39 1gtf s LEU 44 N 0.01 2.38 -0.26 3.92 2.96 0.19 -4.99 118.68 122.90 1gtf s LEU 44 Ca -0.05 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1gtf s LEU 44 Cb -0.13 -1.49 0.05 0.00 0.50 0.00 0.00 46.19 45.12 1gtf s LEU 44 CO 0.03 0.19 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.53 1gtf s ILE 45 N 0.17 2.44 -0.08 6.68 1.01 -1.26 -0.40 121.20 129.77 1gtf s ILE 45 Ca -0.11 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.17 1gtf s ILE 45 Cb -0.16 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.96 1gtf s ILE 45 CO 0.06 0.06 -0.18 0.00 0.00 0.00 0.00 174.94 174.88 1gtf s ALA 46 N 1.19 1.68 0.48 9.38 0.00 -0.01 -4.94 121.76 129.55 1gtf s ALA 46 Ca -0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 1gtf s ALA 46 Cb -0.19 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1gtf s ALA 46 CO -0.05 0.21 0.82 -0.65 0.00 0.00 0.00 175.76 176.09 1gtf s GLN 47 N 0.44 3.62 0.36 0.00 -0.21 -1.26 -0.93 119.66 121.68 1gtf s GLN 47 Ca -0.15 0.37 -0.25 0.00 0.02 0.00 0.00 55.36 55.34 1gtf s GLN 47 Cb -0.16 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.43 1gtf s GLN 47 CO 0.06 -0.22 1.05 -0.06 -2.12 0.00 0.00 175.29 174.00 1gtf s PHE 48 N -2.72 3.38 0.33 0.91 0.08 -0.81 -4.94 117.98 114.22 1gtf s PHE 48 Ca 0.50 1.67 0.00 0.00 0.12 0.00 0.00 56.93 59.22 1gtf s PHE 48 Cb -0.10 -3.14 -0.01 0.00 -0.57 0.00 0.00 43.02 39.19 1gtf s PHE 48 CO 0.43 -0.52 0.40 0.95 -0.10 0.00 0.00 175.22 176.38 1gtf s THR 49 N -1.53 0.00 0.50 0.64 -4.23 -0.52 -4.72 115.64 105.77 1gtf s THR 49 Ca 0.54 -1.73 0.23 0.00 -1.18 0.00 0.00 61.69 59.55 1gtf s THR 49 Cb -0.24 -2.59 0.40 0.00 1.34 0.00 0.00 72.50 71.41 1gtf s THR 49 CO 0.30 0.00 1.96 -0.08 -0.54 0.00 0.00 174.62 176.26 1gtf h GLU 50 N 2.14 0.13 0.00 3.99 4.81 -2.03 -3.01 114.58 120.61 1gtf h GLU 50 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1gtf h GLU 50 Cb 1.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1gtf h GLU 50 CO 0.39 0.08 -1.59 0.72 -0.73 0.00 0.00 179.01 177.88 1gtf n HIS 51 N -4.40 0.00 -3.92 0.92 8.25 -1.26 -4.62 115.22 110.20 1gtf n HIS 51 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 1gtf n HIS 51 Cb 0.63 -0.30 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 1gtf n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1gtf s THR 52 N -3.31 1.35 -0.86 1.59 2.01 -1.14 -1.91 115.64 113.36 1gtf s THR 52 Ca -0.02 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1gtf s THR 52 Cb 0.15 -1.55 0.09 0.00 0.01 0.00 0.00 72.50 71.20 1gtf s THR 52 CO 0.89 0.04 0.84 -1.54 -0.69 0.00 0.00 174.62 174.16 1gtf n SER 53 N 4.77 1.85 -3.64 3.53 3.41 -1.00 -1.43 113.62 121.11 1gtf n SER 53 Ca -0.12 -1.47 -0.15 0.00 -0.26 0.00 0.00 58.87 56.86 1gtf n SER 53 Cb 0.46 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.30 1gtf n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gtf s ALA 54 N -0.71 -1.34 -0.04 7.33 0.00 -1.24 -5.02 121.76 120.74 1gtf s ALA 54 Ca 0.10 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1gtf s ALA 54 Cb 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1gtf s ALA 54 CO 0.10 -0.31 -0.10 0.42 0.00 0.00 0.00 175.76 175.87 1gtf s ILE 55 N -0.89 0.93 -0.04 0.00 1.01 -1.26 -0.74 121.20 120.22 1gtf s ILE 55 Ca -0.09 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.21 1gtf s ILE 55 Cb -0.03 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1gtf s ILE 55 CO 0.06 0.29 -0.22 -0.75 0.00 0.00 0.00 174.94 174.32 1gtf s LYS 56 N 0.39 2.32 -0.15 2.79 2.20 0.20 -4.95 119.74 122.53 1gtf s LYS 56 Ca -0.07 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.69 1gtf s LYS 56 Cb -0.12 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1gtf s LYS 56 CO 0.02 0.54 -0.17 0.08 -0.36 0.00 0.00 175.35 175.45 1gtf s VAL 57 N -0.54 2.52 -0.10 4.02 1.01 -1.26 -0.57 120.40 125.48 1gtf s VAL 57 Ca 0.07 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1gtf s VAL 57 Cb -0.11 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1gtf s VAL 57 CO 0.00 0.52 -0.21 -0.60 0.00 0.00 0.00 175.10 174.82 1gtf s ARG 58 N 0.84 2.72 0.00 2.72 3.52 -0.57 -4.94 118.95 123.24 1gtf s ARG 58 Ca -0.05 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.79 1gtf s ARG 58 Cb -0.15 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1gtf s ARG 58 CO -0.01 0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 1gtf n GLY 59 N 3.77 1.79 3.65 8.12 0.00 -1.26 -0.96 105.19 120.30 1gtf n GLY 59 Ca -0.20 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 1gtf n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gtf s LYS 60 N -1.83 4.18 0.06 1.61 2.20 -1.26 -3.77 119.74 120.93 1gtf s LYS 60 Ca 0.00 1.36 -0.10 0.00 -0.36 0.00 0.00 55.97 56.86 1gtf s LYS 60 Cb 0.00 -3.71 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1gtf s LYS 60 CO 0.00 -0.75 0.23 0.00 -0.36 0.00 0.00 175.35 174.47 1gtf s ALA 61 N 3.48 -0.42 -0.22 3.13 0.00 -0.88 -0.77 121.76 126.08 1gtf s ALA 61 Ca 0.48 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1gtf s ALA 61 Cb -0.16 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1gtf s ALA 61 CO 0.12 -0.43 0.07 -0.47 0.00 0.00 0.00 175.76 175.04 1gtf s TYR 62 N -3.04 3.16 -0.05 0.00 5.04 0.16 -1.65 117.35 120.96 1gtf s TYR 62 Ca -0.01 -0.16 0.05 0.00 -2.44 0.00 0.00 57.07 54.51 1gtf s TYR 62 Cb 0.01 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 1gtf s TYR 62 CO -0.06 -0.11 -0.22 0.42 -1.34 0.00 0.00 175.55 174.24 1gtf s ILE 63 N 1.05 1.78 -0.04 3.14 1.01 0.27 -0.95 121.20 127.47 1gtf s ILE 63 Ca 0.04 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1gtf s ILE 63 Cb -0.14 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1gtf s ILE 63 CO 0.03 0.50 -0.20 -1.10 0.00 0.00 0.00 174.94 174.17 1gtf s GLN 64 N -0.08 2.35 0.32 2.79 -0.21 -0.08 -1.26 119.66 123.49 1gtf s GLN 64 Ca -0.04 -0.82 0.05 0.00 0.02 0.00 0.00 55.36 54.58 1gtf s GLN 64 Cb -0.13 -2.21 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 1gtf s GLN 64 CO 0.03 0.57 0.19 0.25 -2.12 0.00 0.00 175.29 174.20 1gtf n THR 65 N 2.45 0.00 0.31 -0.19 -2.24 -0.49 -1.07 114.28 113.05 1gtf n THR 65 Ca -0.17 -2.08 0.19 0.00 -2.27 0.00 0.00 64.05 59.72 1gtf n THR 65 Cb 0.52 0.90 1.05 0.00 -2.10 0.00 0.00 70.33 70.70 1gtf n THR 65 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1gtf h ARG 66 N 0.00 0.00 -0.01 -0.78 2.43 -2.01 -1.48 114.38 112.53 1gtf h ARG 66 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1gtf h ARG 66 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1gtf h ARG 66 CO 0.36 0.00 -0.17 0.72 -1.51 0.00 0.00 179.97 179.37 1gtf n HIS 67 N -3.45 0.00 0.00 2.20 8.25 -1.26 -5.03 115.22 115.93 1gtf n HIS 67 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1gtf n HIS 67 Cb 0.11 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1gtf n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gtf n GLY 68 N 1.29 0.60 3.87 -1.41 0.00 -0.56 -5.06 105.19 103.92 1gtf n GLY 68 Ca 0.14 -2.18 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 1gtf n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gtf s VAL 69 N -0.64 5.13 0.02 1.61 -7.23 -1.26 -1.39 120.40 116.64 1gtf s VAL 69 Ca 0.00 -0.41 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 1gtf s VAL 69 Cb 0.00 -3.45 -0.00 0.00 0.56 0.00 0.00 36.38 33.48 1gtf s VAL 69 CO 0.00 0.21 0.12 -0.51 -0.31 0.00 0.00 175.10 174.61 1gtf s ILE 70 N -1.40 0.11 -0.06 -0.62 2.07 -0.39 -5.02 121.20 115.90 1gtf s ILE 70 Ca 0.30 -0.90 0.05 0.00 -1.41 0.00 0.00 60.65 58.69 1gtf s ILE 70 Cb -0.13 -0.67 -0.00 0.00 0.13 0.00 0.00 42.46 41.79 1gtf s ILE 70 CO 0.23 -0.49 -0.21 -1.61 -1.91 0.00 0.00 174.94 170.94 1gtf s GLU 71 N -2.04 2.28 0.29 3.50 2.02 -1.26 -0.56 118.70 122.93 1gtf s GLU 71 Ca -0.10 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 1gtf s GLU 71 Cb -0.04 -1.90 -0.06 0.00 0.10 0.00 0.00 34.13 32.22 1gtf s GLU 71 CO -0.02 0.27 0.59 -1.54 0.02 0.00 0.00 175.26 174.59 1gtf s SER 72 N 0.05 6.52 -0.03 -0.19 1.04 -0.66 -4.94 113.70 115.48 1gtf s SER 72 Ca -0.07 0.86 0.05 0.00 0.48 0.00 0.00 55.95 57.27 1gtf s SER 72 Cb -0.14 -2.20 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 1gtf s SER 72 CO 0.04 -0.19 -0.17 -1.61 0.98 0.00 0.00 173.24 172.29 1gtf s GLU 73 N -3.34 1.63 0.00 4.02 2.02 -1.25 -2.07 118.70 119.72 1gtf s GLU 73 Ca 0.46 -0.60 0.24 0.00 0.02 0.00 0.00 54.97 55.10 1gtf s GLU 73 Cb -0.11 -1.47 1.44 0.00 0.10 0.00 0.00 34.13 34.09 1gtf s GLU 73 CO 0.27 0.28 1.80 0.41 0.02 0.00 0.00 175.26 178.04