#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 3.53 0.11 6.43 1.01 -1.26 -4.83 116.67 121.66 1gtf s ASP 8 Ca 0.00 1.81 -0.01 0.00 0.71 0.00 0.00 52.55 55.07 1gtf s ASP 8 Cb 0.00 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1gtf s ASP 8 CO 0.00 -2.65 0.02 0.72 0.21 0.00 0.00 175.17 173.47 1gtf s PHE 9 N -2.81 0.80 0.03 4.23 -0.12 -1.26 -2.03 117.98 116.82 1gtf s PHE 9 Ca 0.64 -1.15 0.07 0.00 -0.05 0.00 0.00 56.93 56.44 1gtf s PHE 9 Cb -0.19 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 1gtf s PHE 9 CO 0.57 -0.43 -0.20 0.08 -0.05 0.00 0.00 175.22 175.19 1gtf s VAL 10 N -3.96 2.65 -0.17 -2.49 1.01 0.43 -4.62 120.40 113.25 1gtf s VAL 10 Ca 0.19 -1.19 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1gtf s VAL 10 Cb 0.07 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1gtf s VAL 10 CO -0.02 0.37 0.04 -0.69 0.00 0.00 0.00 175.10 174.80 1gtf s VAL 11 N -0.87 4.55 -0.12 2.92 1.01 0.06 -1.22 120.40 126.73 1gtf s VAL 11 Ca 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1gtf s VAL 11 Cb -0.10 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1gtf s VAL 11 CO 0.04 0.47 -0.14 -0.63 0.00 0.00 0.00 175.10 174.84 1gtf s ILE 12 N 0.36 1.45 -0.18 2.22 1.01 0.86 -0.90 121.20 126.02 1gtf s ILE 12 Ca 0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1gtf s ILE 12 Cb -0.13 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1gtf s ILE 12 CO 0.01 0.43 -0.09 -0.75 0.00 0.00 0.00 174.94 174.54 1gtf s LYS 13 N 1.21 3.35 0.16 2.79 2.20 0.34 -0.77 119.74 129.01 1gtf s LYS 13 Ca -0.02 -0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1gtf s LYS 13 Cb -0.14 -2.83 -0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1gtf s LYS 13 CO -0.05 -0.05 1.21 0.00 -0.36 0.00 0.00 175.35 176.10 1gtf s ALA 14 N 1.05 3.43 -1.90 3.13 0.00 -0.58 -1.00 121.76 125.90 1gtf s ALA 14 Ca 0.00 0.94 0.16 0.00 0.00 0.00 0.00 51.96 53.05 1gtf s ALA 14 Cb -0.15 -3.43 0.17 0.00 0.00 0.00 0.00 23.12 19.72 1gtf s ALA 14 CO -0.01 -0.39 1.05 1.28 0.00 0.00 0.00 175.76 177.69 1gtf n LEU 15 N 2.87 2.46 -3.79 0.00 4.77 0.10 -0.93 117.00 122.49 1gtf n LEU 15 Ca 0.06 -1.14 -0.09 0.00 -0.03 0.00 0.00 56.01 54.81 1gtf n LEU 15 Cb 0.45 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1gtf n LEU 15 CO 0.56 0.47 0.24 -1.83 -1.33 0.00 0.00 177.39 175.50 1gtf s GLU 16 N -1.28 1.39 0.61 3.23 -1.05 -1.23 -4.90 118.70 115.47 1gtf s GLU 16 Ca 0.21 -0.93 -0.18 0.00 -0.15 0.00 0.00 54.97 53.92 1gtf s GLU 16 Cb 0.14 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.31 1gtf s GLU 16 CO 0.20 -0.58 1.17 -0.51 0.95 0.00 0.00 175.26 176.49 1gtf s ASP 17 N -2.90 5.16 0.00 0.83 1.01 -1.26 -3.27 116.67 116.25 1gtf s ASP 17 Ca 0.11 2.25 0.00 0.00 0.71 0.00 0.00 52.55 55.62 1gtf s ASP 17 Cb -0.01 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1gtf s ASP 17 CO -0.01 -1.60 0.00 0.61 0.21 0.00 0.00 175.17 174.37 1gtf n GLY 18 N 0.20 0.50 3.76 0.21 0.00 -0.95 -4.89 105.19 104.02 1gtf n GLY 18 Ca 0.12 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 2.57 -0.17 1.61 1.01 -0.61 -4.81 120.40 118.00 1gtf s VAL 19 Ca 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 1gtf s VAL 19 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1gtf s VAL 19 CO 0.00 0.10 -0.06 0.20 0.00 0.00 0.00 175.10 175.34 1gtf s ASN 20 N 0.04 4.46 -0.28 3.32 0.02 -0.53 -0.27 114.94 121.69 1gtf s ASN 20 Ca 0.55 -0.27 -0.06 0.00 -1.02 0.00 0.00 52.86 52.06 1gtf s ASN 20 Cb -0.42 -1.73 0.00 0.00 0.02 0.00 0.00 41.25 39.12 1gtf s ASN 20 CO 0.49 0.10 0.06 -0.69 0.02 0.00 0.00 177.10 177.08 1gtf s VAL 21 N 0.78 3.90 -0.16 1.60 1.01 -0.18 -1.31 120.40 126.05 1gtf s VAL 21 Ca -0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1gtf s VAL 21 Cb -0.15 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1gtf s VAL 21 CO 0.02 0.14 -0.07 -0.63 0.00 0.00 0.00 175.10 174.56 1gtf s ILE 22 N 1.50 3.51 -0.15 2.22 1.01 0.52 -0.80 121.20 129.01 1gtf s ILE 22 Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1gtf s ILE 22 Cb -0.17 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1gtf s ILE 22 CO 0.02 0.49 0.30 -0.83 0.00 0.00 0.00 174.94 174.91 1gtf s GLY 23 N 0.62 2.22 -0.07 6.18 0.00 -0.12 -0.59 107.32 115.57 1gtf s GLY 23 Ca -0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 44.72 44.21 1gtf s GLY 23 CO 0.03 0.41 0.06 1.08 0.00 0.00 0.00 173.10 174.68 1gtf s LEU 24 N 0.38 3.88 0.24 0.66 1.02 0.11 -0.87 118.68 124.10 1gtf s LEU 24 Ca 0.17 0.23 -0.30 0.00 0.02 0.00 0.00 54.13 54.25 1gtf s LEU 24 Cb -0.13 -2.01 -0.10 0.00 0.02 0.00 0.00 46.19 43.97 1gtf s LEU 24 CO 0.04 0.36 1.36 0.42 0.02 0.00 0.00 176.35 178.55 1gtf s THR 25 N -1.01 2.89 0.33 5.49 -4.23 -0.40 -2.25 115.64 116.46 1gtf s THR 25 Ca 0.16 0.76 -0.27 0.00 -1.18 0.00 0.00 61.69 61.17 1gtf s THR 25 Cb -0.12 -3.49 -0.09 0.00 1.34 0.00 0.00 72.50 70.14 1gtf s THR 25 CO 0.06 0.13 1.08 -0.60 -0.54 0.00 0.00 174.62 174.75 1gtf s ARG 26 N -0.53 4.44 0.00 3.99 3.52 -0.93 -4.62 118.95 124.82 1gtf s ARG 26 Ca 0.56 1.68 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1gtf s ARG 26 Cb -0.39 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1gtf s ARG 26 CO 0.43 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 1gtf n GLY 27 N 0.85 0.51 0.21 8.12 0.00 -1.26 -4.77 105.19 108.85 1gtf n GLY 27 Ca 0.01 -2.21 0.05 0.00 0.00 0.00 0.00 46.02 43.87 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 1.48 -2.87 4.61 0.00 -2.05 -3.42 119.26 117.01 1gtf h ALA 28 Ca 0.00 -0.25 -0.64 0.00 0.00 0.00 0.00 54.91 54.02 1gtf h ALA 28 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1gtf h ALA 28 CO 0.00 0.34 -0.50 0.34 0.00 0.00 0.00 179.25 179.43 1gtf s ASP 29 N -6.86 6.29 -0.22 0.00 2.15 -1.26 -5.09 116.67 111.67 1gtf s ASP 29 Ca -0.03 0.30 0.01 0.00 0.43 0.00 0.00 52.55 53.26 1gtf s ASP 29 Cb 0.15 -1.95 0.05 0.00 -0.30 0.00 0.00 42.92 40.87 1gtf s ASP 29 CO 0.70 0.24 -0.10 -0.89 -0.17 0.00 0.00 175.17 174.94 1gtf s THR 30 N -1.37 1.80 0.14 1.71 2.01 -1.26 -4.61 115.64 114.07 1gtf s THR 30 Ca 0.29 -1.23 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 1gtf s THR 30 Cb -0.13 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1gtf s THR 30 CO 0.21 0.09 0.25 0.00 -0.69 0.00 0.00 174.62 174.48 1gtf s ARG 31 N 1.30 1.07 0.10 4.92 1.70 -1.26 -4.94 118.95 121.83 1gtf s ARG 31 Ca -0.04 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 53.79 1gtf s ARG 31 Cb -0.18 0.36 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 1gtf s ARG 31 CO -0.07 -0.38 1.08 -0.06 -1.08 0.00 0.00 175.30 174.79 1gtf s PHE 32 N -3.94 3.60 -0.30 5.89 0.08 -1.26 -1.27 117.98 120.77 1gtf s PHE 32 Ca 0.14 1.57 0.11 0.00 0.12 0.00 0.00 56.93 58.87 1gtf s PHE 32 Cb 0.04 -3.25 -0.14 0.00 -0.57 0.00 0.00 43.02 39.10 1gtf s PHE 32 CO -0.03 -0.55 0.36 -2.39 -0.10 0.00 0.00 175.22 172.51 1gtf n HIS 33 N 3.19 0.00 -3.63 0.36 1.44 -0.05 -4.92 115.22 111.60 1gtf n HIS 33 Ca 0.05 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.64 1gtf n HIS 33 Cb 0.48 -0.10 -0.07 0.00 0.12 0.00 0.00 29.99 30.41 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 -2.31 -0.70 -0.20 -1.40 5.65 -1.24 -5.01 115.29 110.07 1gtf s HIS 34 Ca 0.01 1.71 0.01 0.00 0.25 0.00 0.00 55.06 57.04 1gtf s HIS 34 Cb 0.08 0.30 0.04 0.00 -1.18 0.00 0.00 32.58 31.82 1gtf s HIS 34 CO 0.44 -0.34 -0.11 0.45 -0.65 0.00 0.00 174.74 174.54 1gtf s SER 35 N 0.35 3.49 -0.29 9.88 0.15 -1.26 -0.94 113.70 125.08 1gtf s SER 35 Ca 0.01 -0.93 -0.22 0.00 0.70 0.00 0.00 55.95 55.51 1gtf s SER 35 Cb -0.05 -1.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.99 1gtf s SER 35 CO -0.01 -0.15 0.71 -0.70 1.20 0.00 0.00 173.24 174.29 1gtf s GLU 36 N 1.37 4.01 -0.13 5.44 2.56 0.02 -4.91 118.70 127.05 1gtf s GLU 36 Ca -0.02 0.54 -0.24 0.00 0.00 0.00 0.00 54.97 55.26 1gtf s GLU 36 Cb -0.16 -3.70 -0.03 0.00 2.00 0.00 0.00 34.13 32.24 1gtf s GLU 36 CO -0.08 -0.57 0.74 0.21 -0.56 0.00 0.00 175.26 175.00 1gtf s LYS 37 N 2.74 4.33 -0.09 4.30 2.20 -1.26 -1.01 119.74 130.95 1gtf s LYS 37 Ca 0.29 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1gtf s LYS 37 Cb -0.15 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1gtf s LYS 37 CO 0.11 -0.16 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.35 1gtf s LEU 38 N 1.58 3.09 0.44 5.43 1.43 0.62 -4.96 118.68 126.31 1gtf s LEU 38 Ca 0.36 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1gtf s LEU 38 Cb -0.17 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1gtf s LEU 38 CO 0.14 0.30 0.62 -1.81 0.23 0.00 0.00 176.35 175.84 1gtf s ASP 39 N -0.45 5.67 0.09 2.29 1.01 -1.26 -1.58 116.67 122.44 1gtf s ASP 39 Ca 0.07 -0.10 -0.35 0.00 0.71 0.00 0.00 52.55 52.88 1gtf s ASP 39 Cb -0.12 -1.06 -0.14 0.00 1.01 0.00 0.00 42.92 42.61 1gtf s ASP 39 CO 0.02 -0.77 1.60 1.17 0.21 0.00 0.00 175.17 177.40 1gtf n LYS 40 N -1.98 1.95 0.00 8.23 4.81 -1.20 -1.63 118.16 128.33 1gtf n LYS 40 Ca 0.04 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1gtf n LYS 40 Cb 0.59 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.17 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 3.47 2.31 3.77 3.14 0.00 -0.11 -4.96 105.19 112.81 1gtf n GLY 41 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.62 3.83 -0.05 1.61 2.02 -0.65 -4.77 118.70 120.09 1gtf s GLU 42 Ca 0.00 1.70 0.06 0.00 0.02 0.00 0.00 54.97 56.75 1gtf s GLU 42 Cb 0.00 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 1gtf s GLU 42 CO 0.00 -0.47 -0.24 0.08 0.02 0.00 0.00 175.26 174.65 1gtf s VAL 43 N -1.59 1.99 -0.09 2.63 1.01 -1.26 -1.53 120.40 121.55 1gtf s VAL 43 Ca 0.63 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1gtf s VAL 43 Cb -0.27 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1gtf s VAL 43 CO 0.32 0.56 -0.21 -0.22 0.00 0.00 0.00 175.10 175.55 1gtf s LEU 44 N -0.27 1.97 -0.26 3.92 2.96 0.05 -4.99 118.68 122.06 1gtf s LEU 44 Ca 0.00 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 1gtf s LEU 44 Cb -0.12 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.35 1gtf s LEU 44 CO 0.02 0.12 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.47 1gtf s ILE 45 N 0.44 2.54 -0.05 6.68 1.09 -1.26 -0.09 121.20 130.54 1gtf s ILE 45 Ca -0.17 -1.35 0.03 0.00 -1.10 0.00 0.00 60.65 58.06 1gtf s ILE 45 Cb -0.17 -2.39 0.00 0.00 -1.06 0.00 0.00 42.46 38.84 1gtf s ILE 45 CO 0.07 0.07 -0.15 0.00 -0.10 0.00 0.00 174.94 174.83 1gtf s ALA 46 N 1.21 1.43 0.43 9.38 0.00 -0.35 -4.95 121.76 128.92 1gtf s ALA 46 Ca -0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1gtf s ALA 46 Cb -0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1gtf s ALA 46 CO -0.05 0.21 0.71 -0.65 0.00 0.00 0.00 175.76 175.98 1gtf s GLN 47 N 0.31 3.55 0.37 0.00 -0.21 -1.26 -0.43 119.66 121.99 1gtf s GLN 47 Ca -0.09 0.08 -0.26 0.00 0.02 0.00 0.00 55.36 55.11 1gtf s GLN 47 Cb -0.13 -2.46 -0.09 0.00 1.00 0.00 0.00 33.01 31.32 1gtf s GLN 47 CO 0.03 -0.08 1.10 -0.06 -2.12 0.00 0.00 175.29 174.16 1gtf s PHE 48 N -2.57 3.28 0.34 0.91 0.08 -0.86 -4.94 117.98 114.22 1gtf s PHE 48 Ca 0.46 1.63 -0.00 0.00 0.12 0.00 0.00 56.93 59.14 1gtf s PHE 48 Cb -0.10 -3.25 -0.01 0.00 -0.57 0.00 0.00 43.02 39.09 1gtf s PHE 48 CO 0.41 -0.83 0.42 0.95 -0.10 0.00 0.00 175.22 176.07 1gtf s THR 49 N -1.45 0.00 0.43 0.64 -4.23 -0.46 -4.73 115.64 105.83 1gtf s THR 49 Ca 0.54 -1.70 0.15 0.00 -1.18 0.00 0.00 61.69 59.50 1gtf s THR 49 Cb -0.27 -2.60 0.35 0.00 1.34 0.00 0.00 72.50 71.31 1gtf s THR 49 CO 0.34 0.00 1.94 -0.08 -0.54 0.00 0.00 174.62 176.28 1gtf h GLU 50 N 2.12 0.42 0.00 3.99 4.81 -2.02 -2.75 114.58 121.15 1gtf h GLU 50 Ca -0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1gtf h GLU 50 Cb 1.24 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1gtf h GLU 50 CO 0.38 0.28 -1.41 0.72 -0.73 0.00 0.00 179.01 178.24 1gtf n HIS 51 N -4.48 0.08 -3.88 0.92 8.25 -1.26 -4.64 115.22 110.21 1gtf n HIS 51 Ca 0.13 0.02 -0.30 0.00 -0.26 0.00 0.00 57.72 57.32 1gtf n HIS 51 Cb 0.48 -0.32 -0.16 0.00 1.12 0.00 0.00 29.99 31.11 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 -3.26 1.25 -1.27 1.59 2.01 -1.04 -2.18 115.64 112.74 1gtf s THR 52 Ca 0.00 -1.06 0.11 0.00 0.31 0.00 0.00 61.69 61.06 1gtf s THR 52 Cb 0.15 -1.60 0.06 0.00 0.01 0.00 0.00 72.50 71.12 1gtf s THR 52 CO 0.87 -0.15 0.79 -1.54 -0.69 0.00 0.00 174.62 173.90 1gtf n SER 53 N 4.77 1.71 -3.62 3.53 3.41 -0.95 -1.35 113.62 121.11 1gtf n SER 53 Ca -0.11 -1.36 -0.15 0.00 -0.26 0.00 0.00 58.87 56.99 1gtf n SER 53 Cb 0.45 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.11 -1.45 -0.04 7.33 0.00 -1.24 -5.02 121.76 120.22 1gtf s ALA 54 Ca 0.12 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1gtf s ALA 54 Cb 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1gtf s ALA 54 CO 0.19 -0.32 -0.11 0.42 0.00 0.00 0.00 175.76 175.94 1gtf s ILE 55 N -0.69 1.01 -0.09 0.00 1.01 -1.26 -0.71 121.20 120.46 1gtf s ILE 55 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1gtf s ILE 55 Cb -0.03 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1gtf s ILE 55 CO 0.06 0.31 -0.12 -0.75 0.00 0.00 0.00 174.94 174.44 1gtf s LYS 56 N 0.40 2.96 -0.17 2.79 2.20 0.24 -4.95 119.74 123.22 1gtf s LYS 56 Ca -0.08 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 54.87 1gtf s LYS 56 Cb -0.12 -2.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 1gtf s LYS 56 CO 0.02 0.45 -0.12 0.08 -0.36 0.00 0.00 175.35 175.42 1gtf s VAL 57 N -0.27 2.93 -0.09 4.02 1.01 -1.26 -0.35 120.40 126.40 1gtf s VAL 57 Ca 0.02 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1gtf s VAL 57 Cb -0.13 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 1gtf s VAL 57 CO 0.03 0.49 -0.24 -0.60 0.00 0.00 0.00 175.10 174.78 1gtf s ARG 58 N 0.90 2.89 0.00 2.72 3.52 -0.42 -4.95 118.95 123.62 1gtf s ARG 58 Ca -0.03 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 54.69 1gtf s ARG 58 Cb -0.15 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.97 1gtf s ARG 58 CO -0.01 0.25 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 1gtf n GLY 59 N 3.32 1.14 3.65 8.12 0.00 -1.26 -1.45 105.19 118.70 1gtf n GLY 59 Ca -0.18 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.49 4.16 0.07 1.61 2.20 -1.26 -3.81 119.74 121.22 1gtf s LYS 60 Ca 0.00 1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 56.81 1gtf s LYS 60 Cb 0.00 -3.72 0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1gtf s LYS 60 CO 0.00 -0.77 0.32 0.00 -0.36 0.00 0.00 175.35 174.53 1gtf s ALA 61 N 3.52 -0.70 -0.19 3.13 0.00 -0.91 -0.72 121.76 125.89 1gtf s ALA 61 Ca 0.48 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 1gtf s ALA 61 Cb -0.16 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1gtf s ALA 61 CO 0.12 -0.48 -0.01 -0.47 0.00 0.00 0.00 175.76 174.93 1gtf s TYR 62 N -3.00 3.05 -0.06 0.00 5.04 -0.17 -1.69 117.35 120.52 1gtf s TYR 62 Ca -0.02 -0.37 0.05 0.00 -2.44 0.00 0.00 57.07 54.29 1gtf s TYR 62 Cb 0.01 -2.04 -0.01 0.00 0.35 0.00 0.00 41.96 40.27 1gtf s TYR 62 CO -0.06 -0.15 -0.21 0.42 -1.34 0.00 0.00 175.55 174.21 1gtf s ILE 63 N 0.76 1.79 -0.07 3.14 1.01 -0.30 -0.50 121.20 127.02 1gtf s ILE 63 Ca -0.00 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1gtf s ILE 63 Cb -0.14 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1gtf s ILE 63 CO 0.02 0.50 -0.24 -1.10 0.00 0.00 0.00 174.94 174.12 1gtf s GLN 64 N 0.02 2.71 0.24 2.79 -0.21 -0.08 -1.03 119.66 124.10 1gtf s GLN 64 Ca -0.06 -0.89 0.03 0.00 0.02 0.00 0.00 55.36 54.46 1gtf s GLN 64 Cb -0.14 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 1gtf s GLN 64 CO 0.04 0.31 0.11 0.25 -2.12 0.00 0.00 175.29 173.88 1gtf n THR 65 N 3.16 0.00 0.30 -0.19 -2.24 -0.21 -0.76 114.28 114.34 1gtf n THR 65 Ca -0.18 -1.45 0.16 0.00 -2.27 0.00 0.00 64.05 60.31 1gtf n THR 65 Cb 0.52 0.58 0.92 0.00 -2.10 0.00 0.00 70.33 70.26 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 -0.04 -0.78 2.43 -2.01 -0.97 114.38 113.02 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 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1gtf h ARG 66 CO 0.28 0.03 0.00 0.72 -1.51 0.00 0.00 179.97 179.48 1gtf n HIS 67 N -3.67 0.03 0.00 2.20 8.25 -1.26 -5.05 115.22 115.72 1gtf n HIS 67 Ca -0.03 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1gtf n HIS 67 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 1.14 0.25 3.89 -1.41 0.00 -0.37 -5.06 105.19 103.64 1gtf n GLY 68 Ca 0.19 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 5.40 0.06 1.61 1.01 -1.26 -1.04 120.40 126.18 1gtf s VAL 69 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1gtf s VAL 69 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.89 1gtf s VAL 69 CO 0.00 0.37 0.23 -0.51 0.00 0.00 0.00 175.10 175.18 1gtf s ILE 70 N -1.28 0.11 -0.07 2.22 1.10 -0.19 -5.02 121.20 118.08 1gtf s ILE 70 Ca 0.25 -0.91 0.03 0.00 -0.51 0.00 0.00 60.65 59.51 1gtf s ILE 70 Cb -0.12 -1.06 0.01 0.00 0.15 0.00 0.00 42.46 41.43 1gtf s ILE 70 CO 0.17 -0.50 -0.15 -1.61 -2.11 0.00 0.00 174.94 170.73 1gtf s GLU 71 N -3.02 1.96 0.37 3.50 2.02 -1.26 -1.15 118.70 121.12 1gtf s GLU 71 Ca -0.02 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.35 1gtf s GLU 71 Cb 0.01 -1.60 -0.06 0.00 0.10 0.00 0.00 34.13 32.58 1gtf s GLU 71 CO -0.06 0.11 0.70 -1.54 0.02 0.00 0.00 175.26 174.48 1gtf s SER 72 N 0.45 6.48 0.04 -0.19 1.04 -0.68 -4.94 113.70 115.90 1gtf s SER 72 Ca -0.13 0.98 0.06 0.00 0.48 0.00 0.00 55.95 57.34 1gtf s SER 72 Cb -0.15 -2.26 -0.02 0.00 0.10 0.00 0.00 66.02 63.69 1gtf s SER 72 CO 0.04 -0.34 -0.18 -1.61 0.98 0.00 0.00 173.24 172.13 1gtf s GLU 73 N -3.80 1.23 0.57 4.02 2.02 -1.25 -2.14 118.70 119.35 1gtf s GLU 73 Ca 0.48 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.53 1gtf s GLU 73 Cb -0.10 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 1gtf s GLU 73 CO 0.32 0.33 0.95 0.20 0.02 0.00 0.00 175.26 177.08 1gtf s GLY 74 N -1.09 1.64 0.00 -1.39 0.00 -1.26 -4.29 107.32 100.94 1gtf s GLY 74 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1gtf s GLY 74 CO 0.01 0.05 0.33 1.17 0.00 0.00 0.00 173.10 174.66