#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gtf s SER 7 N 0.00 5.77 0.89 6.41 0.01 -1.26 -5.03 113.70 120.50 1gtf s SER 7 Ca 0.00 1.83 -0.13 0.00 1.31 0.00 0.00 55.95 58.97 1gtf s SER 7 Cb 0.00 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.75 1gtf s SER 7 CO 0.00 -1.17 0.71 0.47 0.41 0.00 0.00 173.24 173.66 1gtf n ASP 8 N -2.00 -0.95 -4.18 2.44 8.00 -1.26 -4.82 116.55 113.78 1gtf n ASP 8 Ca 0.09 0.42 -0.11 0.00 0.71 0.00 0.00 54.79 55.90 1gtf n ASP 8 Cb 0.53 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.21 1gtf n ASP 8 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gtf s PHE 9 N -2.35 0.96 0.10 1.24 -0.12 -1.26 -2.16 117.98 114.39 1gtf s PHE 9 Ca 0.63 -1.11 0.09 0.00 -0.05 0.00 0.00 56.93 56.48 1gtf s PHE 9 Cb -0.25 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.56 1gtf s PHE 9 CO 0.62 -0.36 -0.22 0.14 -0.05 0.00 0.00 175.22 175.35 1gtf s VAL 10 N -3.85 1.79 -0.14 -2.49 -7.23 0.02 -4.66 120.40 103.84 1gtf s VAL 10 Ca 0.21 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 1gtf s VAL 10 Cb 0.07 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 1gtf s VAL 10 CO 0.01 -0.00 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.05 1gtf s VAL 11 N -1.10 3.73 -0.12 1.32 1.01 -0.07 -1.31 120.40 123.86 1gtf s VAL 11 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1gtf s VAL 11 Cb -0.10 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1gtf s VAL 11 CO 0.04 0.52 -0.14 -0.63 0.00 0.00 0.00 175.10 174.89 1gtf s ILE 12 N 0.15 1.44 -0.19 2.22 1.01 0.25 -0.90 121.20 125.18 1gtf s ILE 12 Ca -0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1gtf s ILE 12 Cb -0.14 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1gtf s ILE 12 CO 0.03 0.43 -0.07 -0.75 0.00 0.00 0.00 174.94 174.58 1gtf s LYS 13 N 1.26 3.39 0.09 2.79 2.20 0.24 -0.77 119.74 128.93 1gtf s LYS 13 Ca -0.01 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 1gtf s LYS 13 Cb -0.14 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.24 1gtf s LYS 13 CO -0.06 -0.05 1.20 0.00 -0.36 0.00 0.00 175.35 176.08 1gtf s ALA 14 N 1.07 3.40 -2.20 3.13 0.00 -0.67 -0.97 121.76 125.53 1gtf s ALA 14 Ca 0.01 0.87 0.19 0.00 0.00 0.00 0.00 51.96 53.02 1gtf s ALA 14 Cb -0.15 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.65 1gtf s ALA 14 CO -0.01 -0.42 1.06 1.28 0.00 0.00 0.00 175.76 177.67 1gtf n LEU 15 N 3.63 2.38 -3.84 0.00 4.77 0.15 -1.14 117.00 122.95 1gtf n LEU 15 Ca 0.08 -0.94 -0.10 0.00 -0.03 0.00 0.00 56.01 55.02 1gtf n LEU 15 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1gtf n LEU 15 CO 0.56 0.42 0.10 -1.83 -1.33 0.00 0.00 177.39 175.31 1gtf s GLU 16 N -1.70 1.22 0.64 3.23 -1.05 -1.23 -4.89 118.70 114.91 1gtf s GLU 16 Ca 0.20 -1.00 -0.18 0.00 -0.15 0.00 0.00 54.97 53.84 1gtf s GLU 16 Cb 0.15 0.44 -0.01 0.00 -0.44 0.00 0.00 34.13 34.27 1gtf s GLU 16 CO 0.29 -0.48 1.24 -0.51 0.95 0.00 0.00 175.26 176.75 1gtf s ASP 17 N -2.91 4.81 0.00 0.83 1.01 -1.26 -3.31 116.67 115.84 1gtf s ASP 17 Ca 0.12 2.46 0.00 0.00 0.71 0.00 0.00 52.55 55.84 1gtf s ASP 17 Cb 0.02 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1gtf s ASP 17 CO -0.03 -1.86 0.00 0.61 0.21 0.00 0.00 175.17 174.11 1gtf n GLY 18 N 0.60 0.43 3.76 0.21 0.00 -1.01 -4.89 105.19 104.29 1gtf n GLY 18 Ca 0.14 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 2.53 -0.15 1.61 1.01 -0.70 -4.80 120.40 117.90 1gtf s VAL 19 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 1gtf s VAL 19 Cb 0.00 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 1gtf s VAL 19 CO 0.00 0.09 -0.12 0.20 0.00 0.00 0.00 175.10 175.27 1gtf s ASN 20 N 0.13 3.99 -0.33 3.32 0.01 -0.21 -0.38 114.94 121.47 1gtf s ASN 20 Ca 0.57 -0.37 -0.10 0.00 -0.71 0.00 0.00 52.86 52.25 1gtf s ASN 20 Cb -0.43 -1.63 0.01 0.00 0.41 0.00 0.00 41.25 39.62 1gtf s ASN 20 CO 0.48 0.11 0.16 -0.69 -1.51 0.00 0.00 177.10 175.65 1gtf s VAL 21 N 0.69 4.48 -0.20 1.60 1.01 -0.18 -1.17 120.40 126.62 1gtf s VAL 21 Ca -0.06 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1gtf s VAL 21 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1gtf s VAL 21 CO 0.02 -0.03 -0.01 -0.63 0.00 0.00 0.00 175.10 174.45 1gtf s ILE 22 N 1.57 3.86 -0.08 2.22 1.01 0.49 -0.25 121.20 130.02 1gtf s ILE 22 Ca 0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 1gtf s ILE 22 Cb -0.18 -2.74 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1gtf s ILE 22 CO 0.06 0.43 0.44 -0.83 0.00 0.00 0.00 174.94 175.04 1gtf s GLY 23 N 0.98 2.41 -0.09 6.18 0.00 -0.27 -0.94 107.32 115.60 1gtf s GLY 23 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 1gtf s GLY 23 CO 0.01 0.55 0.01 1.08 0.00 0.00 0.00 173.10 174.75 1gtf s LEU 24 N 0.05 3.62 0.32 0.66 1.43 -0.22 -1.07 118.68 123.47 1gtf s LEU 24 Ca 0.24 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 1gtf s LEU 24 Cb -0.16 -1.83 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 1gtf s LEU 24 CO 0.11 0.38 1.29 0.42 0.23 0.00 0.00 176.35 178.78 1gtf s THR 25 N -0.89 2.81 0.43 5.49 -4.23 -0.59 -2.44 115.64 116.22 1gtf s THR 25 Ca 0.13 0.80 -0.23 0.00 -1.18 0.00 0.00 61.69 61.22 1gtf s THR 25 Cb -0.11 -3.51 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 1gtf s THR 25 CO 0.02 0.19 1.07 -0.60 -0.54 0.00 0.00 174.62 174.76 1gtf s ARG 26 N -1.62 4.01 0.00 3.99 3.52 -0.92 -4.60 118.95 123.33 1gtf s ARG 26 Ca 0.49 1.53 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1gtf s ARG 26 Cb -0.39 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1gtf s ARG 26 CO 0.51 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.12 1gtf n GLY 27 N 0.23 0.34 0.16 8.12 0.00 -1.26 -4.76 105.19 108.02 1gtf n GLY 27 Ca 0.06 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 1.17 -2.66 4.61 0.00 -2.05 -3.42 119.26 116.91 1gtf h ALA 28 Ca 0.00 -0.45 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 1gtf h ALA 28 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1gtf h ALA 28 CO 0.00 0.62 -0.22 0.34 0.00 0.00 0.00 179.25 179.99 1gtf s ASP 29 N -6.89 6.71 -0.22 0.00 2.15 -1.26 -5.09 116.67 112.07 1gtf s ASP 29 Ca -0.02 0.87 -0.00 0.00 0.43 0.00 0.00 52.55 53.82 1gtf s ASP 29 Cb 0.13 -2.21 0.06 0.00 -0.30 0.00 0.00 42.92 40.60 1gtf s ASP 29 CO 0.75 0.22 -0.04 -0.89 -0.17 0.00 0.00 175.17 175.03 1gtf s THR 30 N -1.30 1.30 0.19 1.71 2.01 -1.26 -4.63 115.64 113.66 1gtf s THR 30 Ca 0.30 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 1gtf s THR 30 Cb -0.15 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.77 1gtf s THR 30 CO 0.17 -0.07 0.36 0.00 -0.69 0.00 0.00 174.62 174.38 1gtf s ARG 31 N 1.51 1.30 0.05 4.92 1.70 -1.26 -4.96 118.95 122.21 1gtf s ARG 31 Ca -0.04 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 53.74 1gtf s ARG 31 Cb -0.18 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 1gtf s ARG 31 CO -0.07 -0.51 0.94 -0.06 -1.08 0.00 0.00 175.30 174.52 1gtf s PHE 32 N -3.98 3.73 -0.04 5.89 0.08 -1.26 -1.54 117.98 120.86 1gtf s PHE 32 Ca 0.19 1.70 0.13 0.00 0.12 0.00 0.00 56.93 59.07 1gtf s PHE 32 Cb 0.02 -3.05 -0.19 0.00 -0.57 0.00 0.00 43.02 39.23 1gtf s PHE 32 CO 0.03 0.12 0.24 -2.39 -0.10 0.00 0.00 175.22 173.12 1gtf n HIS 33 N 3.28 0.00 -3.70 0.36 1.44 -0.23 -4.92 115.22 111.46 1gtf n HIS 33 Ca 0.03 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.60 1gtf n HIS 33 Cb 0.50 -0.35 -0.09 0.00 0.12 0.00 0.00 29.99 30.17 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 -2.79 -0.46 -0.15 -1.40 5.65 -1.24 -5.01 115.29 109.89 1gtf s HIS 34 Ca -0.05 1.01 -0.01 0.00 0.25 0.00 0.00 55.06 56.26 1gtf s HIS 34 Cb 0.07 0.19 0.04 0.00 -1.18 0.00 0.00 32.58 31.71 1gtf s HIS 34 CO 0.53 -0.34 -0.02 0.45 -0.65 0.00 0.00 174.74 174.71 1gtf s SER 35 N -0.35 2.60 -0.16 9.88 0.15 -1.26 -1.12 113.70 123.44 1gtf s SER 35 Ca -0.05 -0.58 -0.16 0.00 0.70 0.00 0.00 55.95 55.86 1gtf s SER 35 Cb -0.03 -0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 1gtf s SER 35 CO 0.03 -0.21 0.38 -0.70 1.20 0.00 0.00 173.24 173.94 1gtf s GLU 36 N 1.74 4.26 -0.22 5.44 2.56 0.65 -4.89 118.70 128.24 1gtf s GLU 36 Ca 0.01 0.23 -0.12 0.00 0.00 0.00 0.00 54.97 55.10 1gtf s GLU 36 Cb -0.15 -3.46 -0.05 0.00 2.00 0.00 0.00 34.13 32.47 1gtf s GLU 36 CO -0.07 0.13 0.20 0.21 -0.56 0.00 0.00 175.26 175.17 1gtf s LYS 37 N 0.77 4.13 -0.13 4.30 2.20 -1.26 -1.01 119.74 128.73 1gtf s LYS 37 Ca 0.20 -0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 55.63 1gtf s LYS 37 Cb -0.14 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1gtf s LYS 37 CO 0.07 0.10 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.62 1gtf s LEU 38 N 0.92 3.31 0.54 5.43 1.43 0.49 -4.95 118.68 125.85 1gtf s LEU 38 Ca 0.10 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1gtf s LEU 38 Cb -0.13 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1gtf s LEU 38 CO 0.04 0.23 0.78 -1.81 0.23 0.00 0.00 176.35 175.82 1gtf s ASP 39 N 0.02 5.41 0.02 2.29 1.01 -1.26 -1.72 116.67 122.44 1gtf s ASP 39 Ca 0.01 0.19 -0.34 0.00 0.71 0.00 0.00 52.55 53.12 1gtf s ASP 39 Cb -0.13 -1.16 -0.13 0.00 1.01 0.00 0.00 42.92 42.51 1gtf s ASP 39 CO 0.03 -1.07 1.75 1.17 0.21 0.00 0.00 175.17 177.26 1gtf n LYS 40 N -2.36 2.16 0.00 8.23 4.81 -1.21 -1.42 118.16 128.38 1gtf n LYS 40 Ca 0.06 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1gtf n LYS 40 Cb 0.59 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1gtf n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gtf n GLY 41 N 3.97 2.42 3.79 3.14 0.00 -0.29 -4.96 105.19 113.25 1gtf n GLY 41 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.79 3.76 -0.03 1.61 2.02 -0.51 -4.78 118.70 119.98 1gtf s GLU 42 Ca 0.00 1.46 0.07 0.00 0.02 0.00 0.00 54.97 56.52 1gtf s GLU 42 Cb 0.00 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 1gtf s GLU 42 CO 0.00 -0.48 -0.23 0.08 0.02 0.00 0.00 175.26 174.65 1gtf s VAL 43 N -1.86 2.27 -0.07 2.63 1.01 -1.26 -1.67 120.40 121.45 1gtf s VAL 43 Ca 0.67 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1gtf s VAL 43 Cb -0.19 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1gtf s VAL 43 CO 0.23 0.58 -0.18 -0.22 0.00 0.00 0.00 175.10 175.51 1gtf s LEU 44 N -0.57 1.90 -0.22 3.92 2.96 0.05 -4.99 118.68 121.72 1gtf s LEU 44 Ca 0.08 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1gtf s LEU 44 Cb -0.11 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.51 1gtf s LEU 44 CO -0.00 0.12 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.40 1gtf s ILE 45 N 0.33 2.49 -0.06 6.68 1.01 -1.26 -0.59 121.20 129.80 1gtf s ILE 45 Ca -0.13 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.47 1gtf s ILE 45 Cb -0.15 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.12 1gtf s ILE 45 CO 0.05 0.29 -0.07 0.00 0.00 0.00 0.00 174.94 175.21 1gtf s ALA 46 N 1.28 0.95 0.49 9.38 0.00 -0.42 -4.94 121.76 128.50 1gtf s ALA 46 Ca 0.01 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1gtf s ALA 46 Cb -0.16 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.34 1gtf s ALA 46 CO -0.08 -0.04 0.93 -0.65 0.00 0.00 0.00 175.76 175.92 1gtf s GLN 47 N 0.98 3.89 0.40 0.00 -0.21 -1.26 -0.80 119.66 122.66 1gtf s GLN 47 Ca -0.10 0.81 -0.25 0.00 0.02 0.00 0.00 55.36 55.84 1gtf s GLN 47 Cb -0.15 -2.20 -0.08 0.00 1.00 0.00 0.00 33.01 31.58 1gtf s GLN 47 CO 0.00 -0.22 1.17 -0.06 -2.12 0.00 0.00 175.29 174.06 1gtf s PHE 48 N -2.58 3.05 0.35 0.91 0.08 -0.92 -4.94 117.98 113.93 1gtf s PHE 48 Ca 0.57 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 59.13 1gtf s PHE 48 Cb -0.10 -3.40 0.01 0.00 -0.57 0.00 0.00 43.02 38.95 1gtf s PHE 48 CO 0.32 -1.36 0.50 0.95 -0.10 0.00 0.00 175.22 175.54 1gtf s THR 49 N -1.42 0.00 0.45 0.64 -4.23 -0.44 -4.75 115.64 105.89 1gtf s THR 49 Ca 0.57 -1.55 0.20 0.00 -1.18 0.00 0.00 61.69 59.74 1gtf s THR 49 Cb -0.31 -2.66 0.39 0.00 1.34 0.00 0.00 72.50 71.26 1gtf s THR 49 CO 0.39 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.28 1gtf h GLU 50 N 2.09 0.28 0.00 3.99 4.81 -2.03 -2.50 114.58 121.23 1gtf h GLU 50 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1gtf h GLU 50 Cb 1.24 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1gtf h GLU 50 CO 0.39 0.19 -1.35 0.72 -0.73 0.00 0.00 179.01 178.22 1gtf n HIS 51 N -4.45 0.00 -3.91 0.92 8.25 -1.26 -4.59 115.22 110.18 1gtf n HIS 51 Ca 0.17 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.33 1gtf n HIS 51 Cb 0.69 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.99 1.40 -1.44 1.59 2.01 -0.94 -2.17 115.64 113.10 1gtf s THR 52 Ca -0.00 -1.14 0.12 0.00 0.31 0.00 0.00 61.69 60.98 1gtf s THR 52 Cb 0.13 -1.70 0.09 0.00 0.01 0.00 0.00 72.50 71.03 1gtf s THR 52 CO 0.75 -0.12 0.87 -1.54 -0.69 0.00 0.00 174.62 173.90 1gtf n SER 53 N 4.72 1.98 -3.63 3.53 3.41 -1.02 -1.33 113.62 121.27 1gtf n SER 53 Ca -0.12 -1.49 -0.16 0.00 -0.26 0.00 0.00 58.87 56.85 1gtf n SER 53 Cb 0.44 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.97 -1.30 -0.03 7.33 0.00 -1.25 -5.02 121.76 120.54 1gtf s ALA 54 Ca 0.14 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1gtf s ALA 54 Cb 0.10 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1gtf s ALA 54 CO 0.15 -0.33 -0.10 0.42 0.00 0.00 0.00 175.76 175.89 1gtf s ILE 55 N -1.37 0.86 -0.05 0.00 1.01 -1.26 -1.06 121.20 119.34 1gtf s ILE 55 Ca -0.12 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1gtf s ILE 55 Cb -0.02 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1gtf s ILE 55 CO 0.06 0.27 -0.21 -0.75 0.00 0.00 0.00 174.94 174.31 1gtf s LYS 56 N 0.18 2.48 -0.12 2.79 2.20 -0.11 -4.96 119.74 122.19 1gtf s LYS 56 Ca -0.03 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 1gtf s LYS 56 Cb -0.09 -2.23 -0.01 0.00 -1.51 0.00 0.00 37.83 34.00 1gtf s LYS 56 CO 0.01 0.49 -0.17 0.08 -0.36 0.00 0.00 175.35 175.39 1gtf s VAL 57 N -0.42 2.61 -0.12 4.02 1.01 -1.26 -0.38 120.40 125.87 1gtf s VAL 57 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1gtf s VAL 57 Cb -0.12 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1gtf s VAL 57 CO 0.02 0.54 -0.15 -0.13 0.00 0.00 0.00 175.10 175.37 1gtf s ARG 58 N 0.45 2.29 0.00 2.72 0.52 -0.32 -4.95 118.95 119.66 1gtf s ARG 58 Ca -0.12 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1gtf s ARG 58 Cb -0.16 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1gtf s ARG 58 CO 0.06 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1gtf n GLY 59 N 4.34 2.21 3.63 -3.53 0.00 -1.26 -1.04 105.19 109.54 1gtf n GLY 59 Ca -0.18 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 -2.10 3.89 0.09 1.61 2.20 -1.26 -3.57 119.74 120.60 1gtf s LYS 60 Ca 0.00 1.45 -0.12 0.00 -0.36 0.00 0.00 55.97 56.94 1gtf s LYS 60 Cb 0.00 -3.94 0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1gtf s LYS 60 CO 0.00 -1.16 0.28 0.00 -0.36 0.00 0.00 175.35 174.11 1gtf s ALA 61 N 4.64 -0.55 -0.21 3.13 0.00 -0.80 -0.67 121.76 127.30 1gtf s ALA 61 Ca 0.62 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 1gtf s ALA 61 Cb -0.20 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1gtf s ALA 61 CO 0.25 -0.54 0.10 -0.47 0.00 0.00 0.00 175.76 175.10 1gtf s TYR 62 N -3.63 3.28 -0.05 0.00 5.04 -0.14 -1.39 117.35 120.46 1gtf s TYR 62 Ca 0.03 0.12 0.04 0.00 -2.44 0.00 0.00 57.07 54.81 1gtf s TYR 62 Cb 0.03 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1gtf s TYR 62 CO -0.10 0.11 -0.16 0.42 -1.34 0.00 0.00 175.55 174.48 1gtf s ILE 63 N 0.66 1.34 -0.04 3.14 1.01 -0.27 -0.60 121.20 126.45 1gtf s ILE 63 Ca 0.05 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.12 1gtf s ILE 63 Cb -0.13 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1gtf s ILE 63 CO 0.01 0.39 -0.25 -1.10 0.00 0.00 0.00 174.94 174.00 1gtf s GLN 64 N 0.19 2.27 0.24 2.79 -0.21 -0.08 -1.48 119.66 123.38 1gtf s GLN 64 Ca -0.06 -0.90 0.05 0.00 0.02 0.00 0.00 55.36 54.46 1gtf s GLN 64 Cb -0.12 -2.06 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 1gtf s GLN 64 CO 0.03 0.46 0.17 0.25 -2.12 0.00 0.00 175.29 174.08 1gtf n THR 65 N 2.70 0.00 0.29 -0.19 -2.24 -0.53 -0.89 114.28 113.41 1gtf n THR 65 Ca -0.17 -1.66 0.15 0.00 -2.27 0.00 0.00 64.05 60.10 1gtf n THR 65 Cb 0.52 0.77 0.89 0.00 -2.10 0.00 0.00 70.33 70.41 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 -0.00 -0.78 2.43 -2.01 -1.49 114.38 112.53 1gtf h ARG 66 Ca -0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1gtf h ARG 66 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1gtf h ARG 66 CO 0.26 0.04 -0.28 0.72 -1.51 0.00 0.00 179.97 179.20 1gtf n HIS 67 N -3.67 0.00 0.00 2.20 8.25 -1.26 -5.05 115.22 115.68 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 0.14 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 1.40 0.57 3.89 -1.41 0.00 -0.56 -5.06 105.19 104.01 1gtf n GLY 68 Ca 0.10 -2.11 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 1gtf n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gtf s VAL 69 N -0.84 5.36 0.05 1.61 1.01 -1.26 -1.46 120.40 124.87 1gtf s VAL 69 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1gtf s VAL 69 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1gtf s VAL 69 CO 0.00 0.42 0.11 -0.51 0.00 0.00 0.00 175.10 175.12 1gtf s ILE 70 N -1.24 0.14 -0.07 2.22 2.07 -0.55 -5.02 121.20 118.76 1gtf s ILE 70 Ca 0.25 -1.18 0.03 0.00 -1.41 0.00 0.00 60.65 58.34 1gtf s ILE 70 Cb -0.13 -1.06 0.00 0.00 0.13 0.00 0.00 42.46 41.41 1gtf s ILE 70 CO 0.14 -0.65 -0.18 -1.61 -1.91 0.00 0.00 174.94 170.73 1gtf s GLU 71 N -3.00 2.28 0.39 3.50 2.02 -1.26 -1.12 118.70 121.52 1gtf s GLU 71 Ca -0.02 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.28 1gtf s GLU 71 Cb 0.01 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.38 1gtf s GLU 71 CO -0.06 0.14 0.68 -1.54 0.02 0.00 0.00 175.26 174.49 1gtf s SER 72 N 0.40 6.35 -0.00 -0.19 1.04 -0.49 -4.94 113.70 115.87 1gtf s SER 72 Ca -0.14 0.80 0.03 0.00 0.48 0.00 0.00 55.95 57.12 1gtf s SER 72 Cb -0.16 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.77 1gtf s SER 72 CO 0.06 -0.40 -0.09 -1.61 0.98 0.00 0.00 173.24 172.18 1gtf s GLU 73 N -4.23 0.68 0.95 4.02 2.02 -1.23 -1.91 118.70 119.00 1gtf s GLU 73 Ca 0.45 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 54.93 1gtf s GLU 73 Cb -0.10 -0.65 0.22 0.00 0.10 0.00 0.00 34.13 33.70 1gtf s GLU 73 CO 0.37 0.18 1.24 0.41 0.02 0.00 0.00 175.26 177.48 1gtf n GLY 74 N 2.74 -1.59 0.00 -1.39 0.00 -1.26 -4.32 105.19 99.37 1gtf n GLY 74 Ca -0.14 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.22 1gtf n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60