#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcv s ILE 1 N 0.00 3.39 0.11 1.12 1.01 -1.26 -5.02 121.20 120.55 3hcv s ILE 1 Ca 0.00 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.65 3hcv s ILE 1 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 3hcv s ILE 1 CO 0.00 0.04 -0.14 -1.10 0.00 0.00 0.00 174.94 173.74 3hcv s GLN 2 N 1.76 1.98 -0.06 2.79 -0.21 -1.26 -4.81 119.66 119.84 3hcv s GLN 2 Ca 0.66 -1.09 0.02 0.00 0.02 0.00 0.00 55.36 54.97 3hcv s GLN 2 Cb -0.35 -2.22 0.01 0.00 1.00 0.00 0.00 33.01 31.45 3hcv s GLN 2 CO 0.29 0.50 -0.12 1.03 -2.12 0.00 0.00 175.29 174.87 3hcv s ARG 3 N -2.15 1.70 0.30 2.91 0.52 -0.00 -4.91 118.95 117.31 3hcv s ARG 3 Ca 0.20 -0.42 -0.28 0.00 -0.52 0.00 0.00 55.73 54.71 3hcv s ARG 3 Cb -0.11 -1.40 -0.09 0.00 0.52 0.00 0.00 34.95 33.86 3hcv s ARG 3 CO 0.12 0.03 1.01 -0.08 0.02 0.00 0.00 175.30 176.40 3hcv s THR 4 N 0.65 3.88 0.25 0.02 -1.32 -1.26 -1.08 115.64 116.77 3hcv s THR 4 Ca -0.14 1.72 -0.30 0.00 -1.21 0.00 0.00 61.69 61.76 3hcv s THR 4 Cb -0.16 -4.03 -0.10 0.00 -1.51 0.00 0.00 72.50 66.71 3hcv s THR 4 CO 0.04 0.28 1.35 -2.16 -2.21 0.00 0.00 174.62 171.91 3hcv s PRO 5 N -1.71 4.35 0.41 7.08 0.04 -1.26 -4.33 135.00 139.57 3hcv s PRO 5 Ca 0.47 2.16 -0.24 0.00 0.04 0.00 0.00 61.00 63.44 3hcv s PRO 5 Cb -0.25 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 3hcv s PRO 5 CO 0.32 -0.28 1.04 0.15 0.04 0.00 0.00 177.00 178.26 3hcv s LYS 6 N -0.58 4.16 -0.05 4.56 1.02 0.79 -4.90 119.74 124.73 3hcv s LYS 6 Ca 0.56 1.46 0.00 0.00 0.02 0.00 0.00 55.97 58.01 3hcv s LYS 6 Cb -0.39 -2.49 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3hcv s LYS 6 CO 0.43 -0.14 -0.02 0.42 -0.92 0.00 0.00 175.35 175.12 3hcv s ILE 7 N -1.72 0.45 -0.05 2.17 1.01 -1.26 -1.86 121.20 119.93 3hcv s ILE 7 Ca 0.59 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.25 3hcv s ILE 7 Cb -0.20 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.74 3hcv s ILE 7 CO 0.26 0.23 -0.15 -1.10 0.00 0.00 0.00 174.94 174.17 3hcv s GLN 8 N 1.31 1.76 -0.11 2.79 -0.21 -0.36 -5.00 119.66 119.85 3hcv s GLN 8 Ca -0.05 -0.53 0.04 0.00 0.02 0.00 0.00 55.36 54.84 3hcv s GLN 8 Cb -0.13 -1.49 0.00 0.00 1.00 0.00 0.00 33.01 32.39 3hcv s GLN 8 CO -0.02 0.15 -0.23 0.08 -2.12 0.00 0.00 175.29 173.15 3hcv s VAL 9 N 0.29 2.01 0.10 1.09 1.01 -1.26 -0.42 120.40 123.22 3hcv s VAL 9 Ca -0.08 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 3hcv s VAL 9 Cb -0.13 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.58 3hcv s VAL 9 CO 0.03 0.55 0.95 -0.72 0.00 0.00 0.00 175.10 175.91 3hcv s TYR 10 N 0.45 -0.19 0.15 5.22 1.13 -0.60 -4.49 117.35 119.02 3hcv s TYR 10 Ca -0.16 -0.06 0.01 0.00 -1.41 0.00 0.00 57.07 55.45 3hcv s TYR 10 Cb -0.17 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 3hcv s TYR 10 CO 0.07 -0.72 0.31 -1.54 -2.51 0.00 0.00 175.55 171.15 3hcv s SER 11 N -2.81 6.37 0.09 -0.18 1.04 -1.26 0.22 113.70 117.16 3hcv s SER 11 Ca 0.10 0.28 -0.20 0.00 0.48 0.00 0.00 55.95 56.61 3hcv s SER 11 Cb -0.01 -1.96 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 3hcv s SER 11 CO -0.01 0.05 1.62 -0.09 0.98 0.00 0.00 173.24 175.78 3hcv h ARG 12 N 2.31 0.26 -6.20 4.02 2.43 -1.41 -3.44 114.38 112.35 3hcv h ARG 12 Ca -0.48 -0.05 -0.53 0.00 -0.81 0.00 0.00 59.98 58.12 3hcv h ARG 12 Cb 1.19 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 3hcv h ARG 12 CO 0.70 0.35 -0.57 -1.01 -1.51 0.00 0.00 179.97 177.92 3hcv s HIS 13 N -5.51 2.96 0.26 2.20 3.76 -1.26 -5.03 115.29 112.66 3hcv s HIS 13 Ca -0.14 -0.15 -0.30 0.00 -0.15 0.00 0.00 55.06 54.32 3hcv s HIS 13 Cb 0.07 -1.33 -0.14 0.00 1.11 0.00 0.00 32.58 32.29 3hcv s HIS 13 CO 0.70 0.56 1.29 -2.30 -0.85 0.00 0.00 174.74 174.14 3hcv n PRO 14 N -1.02 1.82 -2.30 8.40 -0.02 -1.26 -4.87 135.00 135.75 3hcv n PRO 14 Ca -0.07 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3hcv n PRO 14 Cb 0.58 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3hcv n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hcv s ALA 15 N -0.42 3.48 -0.12 3.55 0.00 -1.26 -5.03 121.76 121.96 3hcv s ALA 15 Ca 0.65 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 3hcv s ALA 15 Cb -0.67 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.03 3hcv s ALA 15 CO 0.54 -0.48 0.06 -1.21 0.00 0.00 0.00 175.76 174.67 3hcv s GLU 16 N 0.33 0.20 0.09 0.00 2.02 -1.26 -5.12 118.70 114.96 3hcv s GLU 16 Ca 0.57 0.02 -0.36 0.00 0.02 0.00 0.00 54.97 55.23 3hcv s GLU 16 Cb -0.34 -1.37 -0.15 0.00 0.10 0.00 0.00 34.13 32.37 3hcv s GLU 16 CO 0.34 -0.51 1.46 0.09 0.02 0.00 0.00 175.26 176.67 3hcv n ASN 17 N 5.23 2.26 0.00 -0.19 3.02 -1.26 -1.26 115.26 123.06 3hcv n ASN 17 Ca -0.06 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 3hcv n ASN 17 Cb 0.49 -1.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 3hcv n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hcv n GLY 18 N 2.99 0.88 3.45 7.41 0.00 -0.29 -5.00 105.19 114.63 3hcv n GLY 18 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3hcv n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hcv s LYS 19 N -0.13 3.57 0.45 1.61 2.20 -0.38 -5.02 119.74 122.04 3hcv s LYS 19 Ca 0.00 -0.58 -0.25 0.00 -0.36 0.00 0.00 55.97 54.78 3hcv s LYS 19 Cb 0.00 -2.82 -0.08 0.00 -1.51 0.00 0.00 37.83 33.42 3hcv s LYS 19 CO 0.00 0.23 1.45 0.45 -0.36 0.00 0.00 175.35 177.12 3hcv s SER 20 N 0.35 5.84 0.17 1.43 0.15 -1.26 -4.21 113.70 116.17 3hcv s SER 20 Ca -0.07 2.96 -0.05 0.00 0.70 0.00 0.00 55.95 59.50 3hcv s SER 20 Cb -0.15 -2.66 0.02 0.00 -1.71 0.00 0.00 66.02 61.53 3hcv s SER 20 CO 0.04 -1.20 0.31 -3.20 1.20 0.00 0.00 173.24 170.38 3hcv n ASN 21 N -0.20 -0.89 -4.11 5.45 2.85 0.84 -4.99 115.26 114.22 3hcv n ASN 21 Ca 0.05 -1.74 -0.27 0.00 -0.11 0.00 0.00 54.58 52.51 3hcv n ASN 21 Cb 0.41 1.52 -0.17 0.00 1.24 0.00 0.00 39.78 42.79 3hcv n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3hcv s PHE 22 N -5.48 1.84 -0.22 1.20 0.40 -1.26 -0.80 117.98 113.66 3hcv s PHE 22 Ca 0.09 -0.67 -0.13 0.00 -0.60 0.00 0.00 56.93 55.62 3hcv s PHE 22 Cb -0.02 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 3hcv s PHE 22 CO 0.06 -0.29 0.28 -1.17 0.70 0.00 0.00 175.22 174.81 3hcv s LEU 23 N 0.40 4.14 -0.05 -0.37 2.96 0.50 -0.91 118.68 125.35 3hcv s LEU 23 Ca -0.13 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 3hcv s LEU 23 Cb -0.15 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 3hcv s LEU 23 CO 0.05 -0.00 -0.15 0.20 -1.32 0.00 0.00 176.35 175.13 3hcv s ASN 24 N 1.03 4.00 -0.23 3.68 0.01 0.13 -1.88 114.94 121.68 3hcv s ASN 24 Ca 0.13 -0.20 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 3hcv s ASN 24 Cb -0.14 -0.83 0.05 0.00 0.41 0.00 0.00 41.25 40.74 3hcv s ASN 24 CO 0.06 0.34 -0.10 0.00 -1.51 0.00 0.00 177.10 175.90 3hcv s TYR 26 N 1.26 3.16 -0.10 0.00 5.04 0.44 -0.86 117.35 126.28 3hcv s TYR 26 Ca -0.05 -0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 3hcv s TYR 26 Cb -0.18 -2.33 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 3hcv s TYR 26 CO -0.07 -0.29 -0.14 0.14 -1.34 0.00 0.00 175.55 173.85 3hcv s VAL 27 N 1.68 2.99 0.24 3.14 -7.23 -0.39 -1.22 120.40 119.61 3hcv s VAL 27 Ca 0.06 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 3hcv s VAL 27 Cb -0.16 -2.22 -0.00 0.00 0.56 0.00 0.00 36.38 34.56 3hcv s VAL 27 CO 0.07 0.55 0.50 -0.94 -0.31 0.00 0.00 175.10 174.97 3hcv s SER 28 N 0.02 -0.11 -1.00 4.85 1.04 -0.78 -0.51 113.70 117.22 3hcv s SER 28 Ca -0.05 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3hcv s SER 28 Cb -0.14 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3hcv s SER 28 CO 0.04 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3hcv n GLY 29 N -0.38 1.07 3.75 7.32 0.00 -0.63 -0.15 105.19 116.18 3hcv n GLY 29 Ca -0.03 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 3hcv n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hcv s PHE 30 N -2.24 3.08 -0.19 1.61 -0.71 -1.18 -4.40 117.98 113.94 3hcv s PHE 30 Ca 0.00 -0.02 -0.17 0.00 -1.04 0.00 0.00 56.93 55.70 3hcv s PHE 30 Cb 0.00 -1.52 0.05 0.00 -1.21 0.00 0.00 43.02 40.34 3hcv s PHE 30 CO 0.00 0.51 0.51 -1.58 -1.34 0.00 0.00 175.22 173.33 3hcv s HIS 31 N -1.60 -0.59 0.92 3.49 2.46 -0.24 -1.47 115.29 118.27 3hcv s HIS 31 Ca 0.29 1.40 -0.15 0.00 0.47 0.00 0.00 55.06 57.07 3hcv s HIS 31 Cb -0.11 0.21 0.23 0.00 -0.13 0.00 0.00 32.58 32.79 3hcv s HIS 31 CO 0.21 -0.29 0.79 -0.35 -2.47 0.00 0.00 174.74 172.63 3hcv n PRO 32 N 2.97 -2.71 0.14 2.88 -0.04 -1.26 -0.82 135.00 136.16 3hcv n PRO 32 Ca -0.14 -1.26 0.12 0.00 -0.04 0.00 0.00 63.50 62.18 3hcv n PRO 32 Cb 0.56 -1.21 0.25 0.00 -0.04 0.00 0.00 33.50 33.06 3hcv n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hcv h SER 33 N -2.35 0.00 -2.66 3.54 4.64 -1.99 -3.45 113.55 111.29 3hcv h SER 33 Ca -0.30 -0.03 -0.54 0.00 -0.47 0.00 0.00 61.79 60.46 3hcv h SER 33 Cb 0.92 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.03 3hcv h SER 33 CO 0.19 0.01 1.03 -1.81 -0.87 0.00 0.00 176.83 175.38 3hcv s ASP 34 N -5.21 6.60 -0.03 4.97 1.01 -1.26 -4.97 116.67 117.79 3hcv s ASP 34 Ca 0.08 2.46 -0.19 0.00 0.71 0.00 0.00 52.55 55.60 3hcv s ASP 34 Cb 0.09 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.50 3hcv s ASP 34 CO 0.66 -0.90 0.42 -0.51 0.21 0.00 0.00 175.17 175.04 3hcv s ILE 35 N 2.97 0.04 -0.19 0.77 2.07 -1.26 -4.64 121.20 120.96 3hcv s ILE 35 Ca 0.75 -0.32 0.01 0.00 -1.41 0.00 0.00 60.65 59.67 3hcv s ILE 35 Cb -0.39 -0.72 0.02 0.00 0.13 0.00 0.00 42.46 41.50 3hcv s ILE 35 CO 0.32 -0.18 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.29 3hcv s GLU 36 N -1.19 3.00 -0.10 3.50 2.12 -0.06 -4.99 118.70 120.98 3hcv s GLU 36 Ca -0.12 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.40 3hcv s GLU 36 Cb -0.04 -2.62 0.01 0.00 0.26 0.00 0.00 34.13 31.75 3hcv s GLU 36 CO 0.06 -0.22 -0.14 0.08 -0.54 0.00 0.00 175.26 174.49 3hcv s VAL 37 N 1.30 1.40 -0.02 3.70 1.01 -1.26 -0.55 120.40 125.98 3hcv s VAL 37 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.51 3hcv s VAL 37 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3hcv s VAL 37 CO -0.12 0.42 -0.25 -1.81 0.00 0.00 0.00 175.10 173.34 3hcv s ASP 38 N 0.96 2.97 -0.09 3.32 1.01 0.46 -4.99 116.67 120.31 3hcv s ASP 38 Ca -0.08 -0.46 -0.12 0.00 0.71 0.00 0.00 52.55 52.61 3hcv s ASP 38 Cb -0.15 -0.37 -0.05 0.00 1.01 0.00 0.00 42.92 43.36 3hcv s ASP 38 CO -0.01 0.31 0.28 -0.76 0.21 0.00 0.00 175.17 175.19 3hcv s LEU 39 N -0.56 4.37 -0.04 1.23 1.43 -1.26 0.11 118.68 123.96 3hcv s LEU 39 Ca 0.09 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 3hcv s LEU 39 Cb -0.10 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3hcv s LEU 39 CO -0.01 0.29 -0.16 -0.76 0.23 0.00 0.00 176.35 175.94 3hcv s LEU 40 N -0.58 2.61 -0.27 1.79 1.43 0.94 -0.72 118.68 123.89 3hcv s LEU 40 Ca 0.18 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3hcv s LEU 40 Cb -0.14 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.61 3hcv s LEU 40 CO 0.07 0.34 -0.06 -0.75 0.23 0.00 0.00 176.35 176.19 3hcv s LYS 41 N -0.71 2.56 -1.33 1.70 2.20 0.86 -2.03 119.74 123.00 3hcv s LYS 41 Ca 0.11 -1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 54.51 3hcv s LYS 41 Cb -0.11 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.20 3hcv s LYS 41 CO 0.00 -0.51 0.54 0.09 -0.36 0.00 0.00 175.35 175.11 3hcv n ASN 42 N 4.60 -1.53 0.00 1.43 3.02 0.17 -2.10 115.26 120.85 3hcv n ASN 42 Ca -0.15 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 3hcv n ASN 42 Cb 0.45 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 3hcv n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hcv n GLY 43 N -1.87 2.94 3.79 7.41 0.00 -1.26 -5.01 105.19 111.19 3hcv n GLY 43 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3hcv n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hcv s GLU 44 N -0.06 3.03 0.06 1.61 0.41 -0.89 -5.00 118.70 117.86 3hcv s GLU 44 Ca 0.00 -0.55 -0.31 0.00 -0.41 0.00 0.00 54.97 53.70 3hcv s GLU 44 Cb 0.00 -2.83 -0.07 0.00 -1.78 0.00 0.00 34.13 29.45 3hcv s GLU 44 CO 0.00 0.62 1.45 0.50 -0.49 0.00 0.00 175.26 177.34 3hcv s ARG 45 N -2.02 4.28 0.12 1.61 3.52 -1.26 -0.10 118.95 125.10 3hcv s ARG 45 Ca 0.26 2.10 -0.30 0.00 -0.13 0.00 0.00 55.73 57.66 3hcv s ARG 45 Cb -0.12 -3.44 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 3hcv s ARG 45 CO 0.18 -0.56 1.05 0.42 -0.81 0.00 0.00 175.30 175.58 3hcv s ILE 46 N 1.91 4.22 0.40 4.11 1.01 0.10 -4.86 121.20 128.09 3hcv s ILE 46 Ca 0.66 1.81 -0.09 0.00 0.00 0.00 0.00 60.65 63.03 3hcv s ILE 46 Cb -0.36 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 3hcv s ILE 46 CO 0.29 0.26 0.75 -1.61 0.00 0.00 0.00 174.94 174.63 3hcv s GLU 47 N 0.06 3.73 -1.59 2.79 2.02 -1.26 -4.39 118.70 120.06 3hcv s GLU 47 Ca 0.50 0.38 -0.00 0.00 0.02 0.00 0.00 54.97 55.87 3hcv s GLU 47 Cb -0.26 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3hcv s GLU 47 CO 0.32 -0.03 0.01 1.63 0.02 0.00 0.00 175.26 177.21 3hcv n LYS 48 N -1.39 -1.57 -2.17 1.61 5.02 -1.26 -4.96 118.16 113.44 3hcv n LYS 48 Ca 0.02 0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 56.79 3hcv n LYS 48 Cb 0.54 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 3hcv n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hcv s VAL 49 N -2.94 3.27 0.37 -0.18 1.01 -1.26 -5.00 120.40 115.67 3hcv s VAL 49 Ca 0.01 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.92 3hcv s VAL 49 Cb -0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3hcv s VAL 49 CO 0.01 0.08 0.58 -1.61 0.00 0.00 0.00 175.10 174.16 3hcv s GLU 50 N 0.89 3.40 0.05 2.72 2.02 -0.69 -4.91 118.70 122.19 3hcv s GLU 50 Ca 0.63 -0.36 -0.08 0.00 0.02 0.00 0.00 54.97 55.19 3hcv s GLU 50 Cb -0.37 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.22 3hcv s GLU 50 CO 0.32 0.06 0.17 -3.38 0.02 0.00 0.00 175.26 172.44 3hcv s HIS 51 N -2.37 0.12 0.76 1.61 -3.43 -1.26 -0.72 115.29 110.00 3hcv s HIS 51 Ca 0.42 -0.43 -0.11 0.00 -0.80 0.00 0.00 55.06 54.14 3hcv s HIS 51 Cb -0.10 -0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.03 3hcv s HIS 51 CO 0.37 -0.45 1.08 -1.54 -2.00 0.00 0.00 174.74 172.20 3hcv s SER 52 N -2.33 4.70 0.33 7.38 1.04 -0.22 -5.00 113.70 119.59 3hcv s SER 52 Ca -0.02 1.67 -0.27 0.00 0.48 0.00 0.00 55.95 57.81 3hcv s SER 52 Cb 0.01 -2.43 -0.09 0.00 0.10 0.00 0.00 66.02 63.60 3hcv s SER 52 CO -0.06 -1.89 1.02 -1.81 0.98 0.00 0.00 173.24 171.48 3hcv s ASP 53 N -3.58 7.16 0.04 7.02 1.01 -1.26 -4.74 116.67 122.32 3hcv s ASP 53 Ca 0.60 2.03 -0.36 0.00 0.71 0.00 0.00 52.55 55.54 3hcv s ASP 53 Cb -0.16 -2.60 -0.15 0.00 1.01 0.00 0.00 42.92 41.03 3hcv s ASP 53 CO 0.56 -0.20 1.58 -0.11 0.21 0.00 0.00 175.17 177.20 3hcv n LEU 54 N 0.63 2.62 -4.15 1.23 7.94 -1.26 -4.95 117.00 119.06 3hcv n LEU 54 Ca 0.02 1.07 -0.16 0.00 -1.11 0.00 0.00 56.01 55.83 3hcv n LEU 54 Cb 0.48 -1.31 -0.06 0.00 0.53 0.00 0.00 43.42 43.06 3hcv n LEU 54 CO 0.48 -0.50 0.04 -0.55 -1.11 0.00 0.00 177.39 175.75 3hcv s SER 55 N 1.62 1.04 0.07 1.96 0.15 -1.24 -5.07 113.70 112.23 3hcv s SER 55 Ca 0.85 -1.54 -0.08 0.00 0.70 0.00 0.00 55.95 55.88 3hcv s SER 55 Cb -0.81 0.61 -0.00 0.00 -1.71 0.00 0.00 66.02 64.10 3hcv s SER 55 CO 0.46 -1.19 0.17 0.72 1.20 0.00 0.00 173.24 174.60 3hcv s PHE 56 N -3.29 0.15 0.68 3.44 -0.12 -1.26 -1.81 117.98 115.77 3hcv s PHE 56 Ca 0.34 -0.53 -0.04 0.00 -0.05 0.00 0.00 56.93 56.65 3hcv s PHE 56 Cb 0.01 -0.08 0.08 0.00 -0.63 0.00 0.00 43.02 42.40 3hcv s PHE 56 CO 0.21 -0.49 0.96 -1.12 -0.05 0.00 0.00 175.22 174.73 3hcv s SER 57 N -2.61 4.72 0.52 1.98 0.01 -0.23 -4.92 113.70 113.17 3hcv s SER 57 Ca 0.02 0.13 0.20 0.00 1.31 0.00 0.00 55.95 57.61 3hcv s SER 57 Cb 0.03 -0.75 1.31 0.00 0.21 0.00 0.00 66.02 66.82 3hcv s SER 57 CO -0.09 -1.60 2.07 0.11 0.41 0.00 0.00 173.24 174.14 3hcv h LYS 58 N -0.47 0.03 -0.19 12.44 1.57 -2.02 0.17 116.57 128.10 3hcv h LYS 58 Ca -0.42 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3hcv h LYS 58 Cb 1.29 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3hcv h LYS 58 CO 0.52 0.02 0.00 -0.40 -0.57 0.00 0.00 179.45 179.02 3hcv n ASP 59 N -4.47 0.80 0.00 0.86 5.68 -1.26 -4.90 116.55 113.26 3hcv n ASP 59 Ca 0.03 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 3hcv n ASP 59 Cb 0.33 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3hcv n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3hcv n TRP 60 N -0.09 0.00 -2.28 2.11 7.02 0.60 -5.02 117.44 119.78 3hcv n TRP 60 Ca 0.05 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.16 3hcv n TRP 60 Cb 0.13 -0.20 -0.01 0.00 -2.42 0.00 0.00 31.31 28.82 3hcv n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3hcv s SER 61 N -3.42 6.14 0.34 -0.99 1.04 -1.26 -4.67 113.70 110.88 3hcv s SER 61 Ca 0.00 2.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.63 3hcv s SER 61 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 3hcv s SER 61 CO 0.00 -0.94 0.63 -0.36 0.98 0.00 0.00 173.24 173.55 3hcv s PHE 62 N -1.60 3.49 0.02 5.02 0.08 -0.54 -1.07 117.98 123.38 3hcv s PHE 62 Ca 0.65 0.72 -0.02 0.00 0.12 0.00 0.00 56.93 58.41 3hcv s PHE 62 Cb -0.27 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 3hcv s PHE 62 CO 0.33 0.05 0.01 1.52 -0.10 0.00 0.00 175.22 177.03 3hcv s TYR 63 N -2.24 0.21 -0.01 0.36 -0.85 -0.75 -1.61 117.35 112.46 3hcv s TYR 63 Ca 0.46 -0.45 -0.05 0.00 -0.52 0.00 0.00 57.07 56.50 3hcv s TYR 63 Cb -0.10 -0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.08 3hcv s TYR 63 CO 0.32 -0.22 0.11 -0.51 -1.52 0.00 0.00 175.55 173.74 3hcv s LEU 64 N -1.47 1.64 -0.19 -3.49 1.43 0.34 -3.66 118.68 113.29 3hcv s LEU 64 Ca -0.15 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3hcv s LEU 64 Cb -0.09 0.50 -0.00 0.00 0.03 0.00 0.00 46.19 46.63 3hcv s LEU 64 CO -0.01 -0.24 -0.11 -0.22 0.23 0.00 0.00 176.35 176.01 3hcv s LEU 65 N -0.85 2.62 -0.11 1.79 2.96 -1.26 -1.27 118.68 122.56 3hcv s LEU 65 Ca -0.09 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3hcv s LEU 65 Cb -0.05 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3hcv s LEU 65 CO 0.01 0.02 0.03 -0.31 -1.32 0.00 0.00 176.35 174.78 3hcv s TYR 66 N 1.20 3.24 -0.06 5.38 1.51 -0.04 -1.06 117.35 127.52 3hcv s TYR 66 Ca 0.02 0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 56.08 3hcv s TYR 66 Cb -0.14 -1.88 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3hcv s TYR 66 CO -0.04 0.42 0.42 1.52 -1.11 0.00 0.00 175.55 176.76 3hcv s TYR 67 N -0.60 -0.36 -0.05 2.71 1.13 0.10 -0.05 117.35 120.24 3hcv s TYR 67 Ca 0.10 0.67 -0.12 0.00 -1.41 0.00 0.00 57.07 56.31 3hcv s TYR 67 Cb -0.12 0.18 0.02 0.00 -1.10 0.00 0.00 41.96 40.95 3hcv s TYR 67 CO 0.02 -0.41 0.28 -0.08 -2.51 0.00 0.00 175.55 172.85 3hcv s THR 68 N -0.95 0.04 0.31 -3.49 -1.32 -0.79 -1.70 115.64 107.74 3hcv s THR 68 Ca -0.10 -0.33 -0.29 0.00 -1.21 0.00 0.00 61.69 59.76 3hcv s THR 68 Cb -0.04 -0.51 -0.10 0.00 -1.51 0.00 0.00 72.50 70.34 3hcv s THR 68 CO 0.05 -0.18 1.35 -0.70 -2.21 0.00 0.00 174.62 172.93 3hcv s GLU 69 N -0.77 4.31 0.06 7.08 2.56 -1.26 -0.37 118.70 130.32 3hcv s GLU 69 Ca -0.09 2.26 -0.19 0.00 0.00 0.00 0.00 54.97 56.96 3hcv s GLU 69 Cb -0.04 -3.08 0.04 0.00 2.00 0.00 0.00 34.13 33.05 3hcv s GLU 69 CO 0.02 -0.27 0.44 -0.59 -0.56 0.00 0.00 175.26 174.30 3hcv s PHE 70 N -0.82 -0.30 -0.37 5.30 -0.71 0.02 -4.83 117.98 116.28 3hcv s PHE 70 Ca 0.52 0.23 0.04 0.00 -1.04 0.00 0.00 56.93 56.68 3hcv s PHE 70 Cb -0.41 0.26 0.10 0.00 -1.21 0.00 0.00 43.02 41.77 3hcv s PHE 70 CO 0.51 -0.62 0.08 0.99 -1.34 0.00 0.00 175.22 174.84 3hcv s THR 71 N -2.74 2.29 0.51 -4.49 2.01 -1.26 -0.11 115.64 111.84 3hcv s THR 71 Ca -0.04 -2.48 -0.22 0.00 0.31 0.00 0.00 61.69 59.27 3hcv s THR 71 Cb -0.00 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.77 3hcv s THR 71 CO -0.04 -0.63 1.25 -2.16 -0.69 0.00 0.00 174.62 172.35 3hcv s PRO 72 N 0.73 3.44 0.29 4.92 0.04 -1.26 -4.75 135.00 138.41 3hcv s PRO 72 Ca 0.12 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.17 3hcv s PRO 72 Cb -0.20 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 3hcv s PRO 72 CO -0.07 -0.87 0.10 0.95 0.04 0.00 0.00 177.00 177.15 3hcv s THR 73 N -1.44 0.65 0.25 1.26 -4.23 -1.26 -1.14 115.64 109.74 3hcv s THR 73 Ca 0.68 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 3hcv s THR 73 Cb -0.34 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 70.94 3hcv s THR 73 CO 0.40 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 176.10 3hcv h GLU 74 N 2.24 0.65 0.11 3.99 4.57 -1.98 -3.31 114.58 120.85 3hcv h GLU 74 Ca -0.38 -0.23 -0.19 0.00 -1.18 0.00 0.00 59.36 57.38 3hcv h GLU 74 Cb 1.25 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.81 3hcv h GLU 74 CO 0.61 0.79 -0.80 1.57 -1.18 0.00 0.00 179.01 180.01 3hcv h LYS 75 N 0.58 0.35 -6.61 1.92 2.10 -2.02 -3.47 116.57 109.43 3hcv h LYS 75 Ca 0.09 -0.52 -0.53 0.00 -2.00 0.00 0.00 60.65 57.69 3hcv h LYS 75 Cb 0.64 0.18 0.04 0.00 -0.90 0.00 0.00 32.23 32.19 3hcv h LYS 75 CO 0.05 1.22 0.80 -0.51 -2.00 0.00 0.00 179.45 179.00 3hcv s ASP 76 N -6.95 6.69 -0.14 7.07 1.01 -1.25 -5.02 116.67 118.09 3hcv s ASP 76 Ca -0.13 2.52 -0.06 0.00 0.71 0.00 0.00 52.55 55.59 3hcv s ASP 76 Cb 0.02 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3hcv s ASP 76 CO 0.84 -0.74 0.07 -1.61 0.21 0.00 0.00 175.17 173.94 3hcv s GLU 77 N 0.85 3.55 0.16 8.23 2.02 -1.26 -4.70 118.70 127.55 3hcv s GLU 77 Ca 0.66 -0.30 0.10 0.00 0.02 0.00 0.00 54.97 55.46 3hcv s GLU 77 Cb -0.41 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 3hcv s GLU 77 CO 0.33 0.54 -0.23 0.71 0.02 0.00 0.00 175.26 176.63 3hcv s TYR 78 N -0.39 2.14 0.22 1.61 2.02 -1.26 0.45 117.35 122.14 3hcv s TYR 78 Ca 0.09 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.22 3hcv s TYR 78 Cb -0.12 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.37 3hcv s TYR 78 CO 0.02 0.39 0.58 0.00 -1.57 0.00 0.00 175.55 174.96 3hcv s ALA 79 N -1.52 -0.98 -0.10 3.71 0.00 -0.86 0.12 121.76 122.13 3hcv s ALA 79 Ca 0.16 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.89 3hcv s ALA 79 Cb -0.08 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3hcv s ALA 79 CO 0.07 -0.87 -0.23 0.00 0.00 0.00 0.00 175.76 174.74 3hcv s ARG 81 N 0.39 3.53 -0.07 0.00 3.52 0.12 -0.75 118.95 125.69 3hcv s ARG 81 Ca -0.18 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 54.86 3hcv s ARG 81 Cb -0.18 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.36 3hcv s ARG 81 CO 0.08 0.13 -0.14 0.08 -0.81 0.00 0.00 175.30 174.64 3hcv s VAL 82 N 0.62 1.28 0.01 7.11 1.01 -0.01 -0.40 120.40 130.00 3hcv s VAL 82 Ca -0.04 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.45 3hcv s VAL 82 Cb -0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 3hcv s VAL 82 CO 0.03 0.39 -0.22 0.21 0.00 0.00 0.00 175.10 175.50 3hcv s ASN 83 N 0.59 2.64 0.04 3.32 3.84 0.28 -0.68 114.94 124.98 3hcv s ASN 83 Ca -0.15 -0.46 -0.19 0.00 0.21 0.00 0.00 52.86 52.27 3hcv s ASN 83 Cb -0.16 -0.27 0.04 0.00 -0.55 0.00 0.00 41.25 40.31 3hcv s ASN 83 CO 0.04 0.24 0.44 -2.28 -2.79 0.00 0.00 177.10 172.76 3hcv s HIS 84 N -0.63 -0.31 0.55 0.43 5.65 -1.26 -0.88 115.29 118.84 3hcv s HIS 84 Ca 0.09 0.30 0.28 0.00 0.25 0.00 0.00 55.06 55.97 3hcv s HIS 84 Cb -0.09 0.25 1.45 0.00 -1.18 0.00 0.00 32.58 33.01 3hcv s HIS 84 CO 0.00 -0.59 1.96 -0.24 -0.65 0.00 0.00 174.74 175.22 3hcv h VAL 85 N 2.95 0.61 0.00 0.89 3.04 -1.95 -0.44 116.25 121.35 3hcv h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3hcv h VAL 85 Cb 1.21 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3hcv h VAL 85 CO 0.43 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.34 3hcv n THR 86 N -4.20 0.70 -3.68 3.17 -2.24 -1.26 -4.77 114.28 102.00 3hcv n THR 86 Ca 0.11 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.51 3hcv n THR 86 Cb 0.68 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.96 3hcv n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hcv s LEU 87 N -4.43 4.15 0.38 3.22 1.43 -0.18 -4.97 118.68 118.29 3hcv s LEU 87 Ca 0.08 0.17 0.17 0.00 -1.03 0.00 0.00 54.13 53.52 3hcv s LEU 87 Cb 0.11 -2.12 0.77 0.00 0.03 0.00 0.00 46.19 44.99 3hcv s LEU 87 CO 0.49 0.10 1.80 0.77 0.23 0.00 0.00 176.35 179.74 3hcv h SER 88 N 7.19 0.00 -5.16 2.29 4.64 -1.86 -3.44 113.55 117.21 3hcv h SER 88 Ca -0.39 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.84 3hcv h SER 88 Cb 1.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 3hcv h SER 88 CO 0.70 0.36 -0.34 0.00 -0.87 0.00 0.00 176.83 176.67 3hcv s GLN 89 N -3.87 0.89 0.23 4.77 -2.07 -1.26 -5.14 119.66 113.22 3hcv s GLN 89 Ca -0.01 -0.96 -0.32 0.00 -1.82 0.00 0.00 55.36 52.25 3hcv s GLN 89 Cb 0.12 0.35 -0.13 0.00 -1.09 0.00 0.00 33.01 32.27 3hcv s GLN 89 CO 0.69 -0.29 1.54 -2.30 -1.32 0.00 0.00 175.29 173.61 3hcv n PRO 90 N -0.09 2.34 -3.29 9.60 -0.02 -1.26 -4.94 135.00 137.35 3hcv n PRO 90 Ca -0.14 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.79 3hcv n PRO 90 Cb 0.63 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 3hcv n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3hcv s LYS 91 N 0.10 4.21 -0.21 -0.52 2.20 0.15 -4.88 119.74 120.78 3hcv s LYS 91 Ca 0.71 0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 56.64 3hcv s LYS 91 Cb -0.60 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.17 3hcv s LYS 91 CO 0.44 -0.08 -0.02 0.42 -0.36 0.00 0.00 175.35 175.76 3hcv s ILE 92 N 1.40 3.69 -0.21 5.43 1.01 -1.26 -0.83 121.20 130.43 3hcv s ILE 92 Ca 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.46 3hcv s ILE 92 Cb -0.15 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3hcv s ILE 92 CO 0.09 0.42 -0.09 -0.69 0.00 0.00 0.00 174.94 174.68 3hcv s VAL 93 N 1.21 2.97 0.37 2.92 1.01 0.08 -4.97 120.40 123.99 3hcv s VAL 93 Ca 0.03 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 3hcv s VAL 93 Cb -0.14 -2.33 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 3hcv s VAL 93 CO 0.00 0.46 1.04 -0.54 0.00 0.00 0.00 175.10 176.06 3hcv s LYS 94 N 1.41 4.30 -0.01 2.72 1.02 -1.26 -0.16 119.74 127.76 3hcv s LYS 94 Ca 0.05 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.25 3hcv s LYS 94 Cb -0.14 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 3hcv s LYS 94 CO -0.06 -0.02 1.13 -0.46 -0.92 0.00 0.00 175.35 175.02 3hcv s TRP 95 N -1.59 3.42 -0.16 3.18 -0.00 0.12 -4.84 118.94 119.06 3hcv s TRP 95 Ca 0.55 1.39 -0.00 0.00 -0.00 0.00 0.00 56.10 58.04 3hcv s TRP 95 Cb -0.23 -3.33 0.04 0.00 -0.00 0.00 0.00 33.47 29.95 3hcv s TRP 95 CO 0.28 -0.89 -0.06 0.34 -0.00 0.00 0.00 176.95 176.62 3hcv s ASP 96 N 1.19 2.71 0.11 5.86 -1.08 -1.26 -4.71 116.67 119.49 3hcv s ASP 96 Ca 0.55 -0.59 0.13 0.00 -0.52 0.00 0.00 52.55 52.12 3hcv s ASP 96 Cb -0.25 -0.91 0.60 0.00 -1.46 0.00 0.00 42.92 40.90 3hcv s ASP 96 CO 0.25 -0.17 1.40 -2.11 0.52 0.00 0.00 175.17 175.07 3hcv n ARG 97 N 4.88 0.06 0.00 4.34 1.85 -1.26 -1.27 116.66 125.27 3hcv n ARG 97 Ca -0.12 0.44 0.14 0.00 -1.00 0.00 0.00 57.85 57.31 3hcv n ARG 97 Cb 0.48 -1.66 0.57 0.00 -1.05 0.00 0.00 32.46 30.80 3hcv n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3hcv n ASP 98 N -1.79 0.93 0.00 2.89 8.00 -1.26 -4.91 116.55 120.42 3hcv n ASP 98 Ca 0.01 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3hcv n ASP 98 Cb 0.10 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3hcv n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04