#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfv n GLY 2 N 0.00 1.64 3.72 3.03 0.00 -1.26 -5.17 105.19 107.15 2hfv n GLY 2 Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 2hfv n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hfv s SER 3 N 0.00 5.14 -1.10 1.61 0.01 -1.26 -5.03 113.70 113.07 2hfv s SER 3 Ca 0.00 -0.21 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 2hfv s SER 3 Cb 0.00 -1.24 0.02 0.00 0.21 0.00 0.00 66.02 65.01 2hfv s SER 3 CO 0.00 0.12 1.67 -0.44 0.41 0.00 0.00 173.24 175.00 2hfv s SER 4 N -2.73 6.20 -1.26 2.44 0.01 -1.26 -4.87 113.70 112.23 2hfv s SER 4 Ca 0.28 -1.64 -0.11 0.00 1.31 0.00 0.00 55.95 55.79 2hfv s SER 4 Cb -0.11 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.72 2hfv s SER 4 CO 0.20 -1.80 1.73 0.00 0.41 0.00 0.00 173.24 173.78 2hfv n HIS 5 N 10.25 3.62 -3.83 2.43 -0.00 -1.26 -4.90 115.22 121.53 2hfv n HIS 5 Ca 0.40 -2.98 -0.12 0.00 -0.00 0.00 0.00 57.72 55.03 2hfv n HIS 5 Cb 0.48 -2.03 -0.11 0.00 -0.00 0.00 0.00 29.99 28.33 2hfv n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2hfv s HIS 6 N 0.79 -0.11 -0.16 -1.40 5.04 -1.26 -5.14 115.29 113.05 2hfv s HIS 6 Ca 0.41 0.24 -0.01 0.00 -1.54 0.00 0.00 55.06 54.16 2hfv s HIS 6 Cb 0.06 0.03 0.04 0.00 0.04 0.00 0.00 32.58 32.75 2hfv s HIS 6 CO 0.00 -0.21 -0.03 -1.58 -2.34 0.00 0.00 174.74 170.58 2hfv s HIS 7 N -0.66 1.43 0.34 3.88 5.65 -1.26 -5.13 115.29 119.53 2hfv s HIS 7 Ca -0.08 -0.91 -0.26 0.00 0.25 0.00 0.00 55.06 54.07 2hfv s HIS 7 Cb -0.04 -1.19 -0.10 0.00 -1.18 0.00 0.00 32.58 30.07 2hfv s HIS 7 CO 0.01 -0.57 0.96 -3.38 -0.65 0.00 0.00 174.74 171.11 2hfv s HIS 8 N 1.72 3.61 -0.29 3.88 -0.00 -1.26 -5.05 115.29 117.91 2hfv s HIS 8 Ca 0.01 1.75 -0.11 0.00 -0.00 0.00 0.00 55.06 56.71 2hfv s HIS 8 Cb -0.15 -2.96 0.12 0.00 -0.00 0.00 0.00 32.58 29.58 2hfv s HIS 8 CO -0.07 0.05 0.65 -1.58 -0.00 0.00 0.00 174.74 173.79 2hfv s HIS 9 N -1.64 -1.25 -0.24 0.38 5.65 -1.26 -5.14 115.29 111.80 2hfv s HIS 9 Ca 0.52 2.24 0.00 0.00 0.25 0.00 0.00 55.06 58.07 2hfv s HIS 9 Cb -0.19 0.74 0.04 0.00 -1.18 0.00 0.00 32.58 31.98 2hfv s HIS 9 CO 0.24 -0.62 -0.10 -1.58 -0.65 0.00 0.00 174.74 172.03 2hfv s HIS 10 N 2.56 3.08 -0.43 3.88 2.46 -1.26 -5.02 115.29 120.56 2hfv s HIS 10 Ca -0.07 -1.83 0.05 0.00 0.47 0.00 0.00 55.06 53.68 2hfv s HIS 10 Cb -0.10 -1.99 0.17 0.00 -0.13 0.00 0.00 32.58 30.53 2hfv s HIS 10 CO -0.19 -0.80 0.52 -1.12 -2.47 0.00 0.00 174.74 170.68 2hfv s SER 11 N 1.24 -0.08 -0.07 9.88 0.01 -1.26 -5.13 113.70 118.29 2hfv s SER 11 Ca -0.02 -1.70 -0.30 0.00 1.31 0.00 0.00 55.95 55.24 2hfv s SER 11 Cb -0.17 1.06 0.09 0.00 0.21 0.00 0.00 66.02 67.21 2hfv s SER 11 CO -0.06 -0.17 0.78 -0.55 0.41 0.00 0.00 173.24 173.64 2hfv s SER 12 N 1.14 -0.56 0.00 2.44 0.15 -1.26 -5.17 113.70 110.44 2hfv s SER 12 Ca 0.23 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2hfv s SER 12 Cb -0.06 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2hfv s SER 12 CO -0.07 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2hfv n GLY 13 N 0.75 4.16 1.89 9.45 0.00 -1.26 -5.18 105.19 115.00 2hfv n GLY 13 Ca -0.16 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2hfv n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfv n ARG 14 N -1.52 0.50 -3.85 1.61 1.74 -1.26 -5.13 116.66 108.75 2hfv n ARG 14 Ca 0.00 -1.95 -0.30 0.00 -0.77 0.00 0.00 57.85 54.83 2hfv n ARG 14 Cb 0.00 1.30 -0.15 0.00 -1.02 0.00 0.00 32.46 32.59 2hfv n ARG 14 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2hfv s GLU 15 N -2.84 1.07 -0.97 5.56 2.02 -1.26 -5.06 118.70 117.22 2hfv s GLU 15 Ca 0.17 -1.30 -0.24 0.00 0.02 0.00 0.00 54.97 53.63 2hfv s GLU 15 Cb 0.01 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.80 2hfv s GLU 15 CO 0.12 -0.91 1.59 1.21 0.02 0.00 0.00 175.26 177.29 2hfv s ASN 16 N 1.37 6.08 -0.52 -0.19 2.47 -1.26 -4.93 114.94 117.96 2hfv s ASN 16 Ca 0.08 -1.16 -0.15 0.00 0.42 0.00 0.00 52.86 52.05 2hfv s ASN 16 Cb -0.18 -2.57 0.12 0.00 -1.45 0.00 0.00 41.25 37.18 2hfv s ASN 16 CO -0.17 -1.89 0.46 -0.22 -3.72 0.00 0.00 177.10 171.57 2hfv s LEU 17 N 6.54 6.05 -0.45 3.21 1.98 -1.26 -4.91 118.68 129.83 2hfv s LEU 17 Ca 0.53 -1.76 0.05 0.00 -2.89 0.00 0.00 54.13 50.06 2hfv s LEU 17 Cb -0.02 -2.17 0.18 0.00 0.66 0.00 0.00 46.19 44.83 2hfv s LEU 17 CO -0.06 -0.81 0.53 -0.47 -1.89 0.00 0.00 176.35 173.65 2hfv s TYR 18 N 1.57 -0.45 -0.34 5.38 5.04 -1.26 -5.11 117.35 122.17 2hfv s TYR 18 Ca 0.03 -1.21 -0.14 0.00 -2.44 0.00 0.00 57.07 53.32 2hfv s TYR 18 Cb -0.29 -0.23 -0.02 0.00 0.35 0.00 0.00 41.96 41.77 2hfv s TYR 18 CO 0.03 -1.07 0.28 0.12 -1.34 0.00 0.00 175.55 173.57 2hfv s PHE 19 N 0.70 3.22 -0.13 4.97 5.36 -1.26 -4.94 117.98 125.90 2hfv s PHE 19 Ca 0.29 -0.13 -0.11 0.00 -0.96 0.00 0.00 56.93 56.02 2hfv s PHE 19 Cb -0.01 -2.54 0.04 0.00 -0.34 0.00 0.00 43.02 40.17 2hfv s PHE 19 CO -0.10 -0.38 0.34 -1.14 -1.46 0.00 0.00 175.22 172.48 2hfv s GLN 20 N 1.83 0.37 -0.30 10.12 2.00 -1.26 -5.08 119.66 127.34 2hfv s GLN 20 Ca 0.08 0.53 0.14 0.00 -2.00 0.00 0.00 55.36 54.12 2hfv s GLN 20 Cb -0.17 0.12 0.48 0.00 0.80 0.00 0.00 33.01 34.24 2hfv s GLN 20 CO 0.11 -0.08 1.12 0.41 -0.50 0.00 0.00 175.29 176.35 2hfv n GLY 21 N 3.28 3.94 3.90 2.59 0.00 -1.26 -3.71 105.19 113.93 2hfv n GLY 21 Ca -0.16 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 2hfv n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hfv s HIS 22 N -3.62 2.35 0.01 1.61 3.76 -1.26 -4.95 115.29 113.18 2hfv s HIS 22 Ca 0.38 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 54.77 2hfv s HIS 22 Cb 0.38 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 2hfv s HIS 22 CO -0.02 -0.31 -0.20 -0.51 -0.85 0.00 0.00 174.74 172.85 2hfv s LEU 23 N -4.22 2.44 -0.03 0.89 1.02 -1.26 -1.29 118.68 116.23 2hfv s LEU 23 Ca 0.47 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 54.22 2hfv s LEU 23 Cb -0.03 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.74 2hfv s LEU 23 CO 0.28 0.29 -0.07 -0.13 0.02 0.00 0.00 176.35 176.74 2hfv s ARG 24 N -1.07 0.88 -0.21 1.70 1.81 0.77 -4.95 118.95 117.88 2hfv s ARG 24 Ca 0.12 -0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.62 2hfv s ARG 24 Cb -0.10 -0.83 -0.03 0.00 -0.45 0.00 0.00 34.95 33.53 2hfv s ARG 24 CO 0.02 0.04 1.67 -2.00 -0.68 0.00 0.00 175.30 174.36 2hfv s GLU 25 N 0.44 3.76 -0.15 3.54 2.12 -1.26 -0.61 118.70 126.53 2hfv s GLU 25 Ca -0.06 1.72 -0.15 0.00 0.36 0.00 0.00 54.97 56.84 2hfv s GLU 25 Cb -0.10 -4.07 -0.13 0.00 0.26 0.00 0.00 34.13 30.09 2hfv s GLU 25 CO 0.00 -1.34 0.23 1.25 -0.54 0.00 0.00 175.26 174.86 2hfv h LEU 26 N 11.89 0.00 -7.77 2.70 7.12 -0.56 -3.41 115.31 125.28 2hfv h LEU 26 Ca -0.35 -0.40 -0.08 0.00 0.13 0.00 0.00 57.88 57.18 2hfv h LEU 26 Cb 1.16 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.16 2hfv h LEU 26 CO 1.00 0.95 -0.31 -1.48 -0.13 0.00 0.00 178.44 178.46 2hfv s LEU 27 N -8.22 1.18 -0.05 2.25 2.34 -1.15 -0.08 118.68 114.95 2hfv s LEU 27 Ca -0.16 -0.62 -0.02 0.00 0.06 0.00 0.00 54.13 53.39 2hfv s LEU 27 Cb 0.01 1.20 0.04 0.00 -0.56 0.00 0.00 46.19 46.88 2hfv s LEU 27 CO 0.39 -0.77 0.09 -0.60 -1.06 0.00 0.00 176.35 174.39 2hfv s ARG 28 N -3.86 -0.03 0.34 1.48 3.52 -0.58 -1.06 118.95 118.77 2hfv s ARG 28 Ca 0.06 0.39 -0.05 0.00 -0.13 0.00 0.00 55.73 56.00 2hfv s ARG 28 Cb 0.04 -0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.07 2hfv s ARG 28 CO -0.10 -0.28 0.53 -0.08 -0.81 0.00 0.00 175.30 174.56 2hfv s THR 29 N 1.92 0.00 0.00 4.11 -1.32 -1.25 -4.84 115.64 114.26 2hfv s THR 29 Ca 0.01 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.00 2hfv s THR 29 Cb -0.12 -2.64 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 2hfv s THR 29 CO -0.04 0.00 0.23 -0.46 -2.21 0.00 0.00 174.62 172.14 2hfv n ASN 30 N -1.32 0.46 -4.68 8.08 0.23 -1.26 -3.77 115.26 112.99 2hfv n ASN 30 Ca -0.01 -0.75 -0.41 0.00 -0.53 0.00 0.00 54.58 52.88 2hfv n ASN 30 Cb 0.61 0.31 -0.04 0.00 -2.08 0.00 0.00 39.78 38.58 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2hfv s ASP 31 N -0.31 6.93 0.14 0.53 2.15 -1.26 -4.95 116.67 119.90 2hfv s ASP 31 Ca 0.00 1.14 -0.12 0.00 0.43 0.00 0.00 52.55 54.00 2hfv s ASP 31 Cb 0.00 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2hfv s ASP 31 CO 0.00 -0.32 1.51 0.00 -0.17 0.00 0.00 175.17 176.19 2hfv h ALA 32 N 7.22 0.59 -0.54 3.66 0.00 -1.99 -2.62 119.26 125.58 2hfv h ALA 32 Ca -0.32 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 2hfv h ALA 32 Cb 1.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2hfv h ALA 32 CO 0.81 0.58 0.21 0.28 0.00 0.00 0.00 179.25 181.12 2hfv h VAL 33 N 0.71 1.22 -0.48 0.00 2.07 -2.00 -1.55 116.25 116.22 2hfv h VAL 33 Ca 0.09 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2hfv h VAL 33 Cb 0.80 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2hfv h VAL 33 CO 0.07 0.27 0.23 0.25 0.02 0.00 0.00 177.57 178.41 2hfv h LEU 34 N 0.73 0.62 -1.05 2.57 5.85 -1.98 -2.46 115.31 119.60 2hfv h LEU 34 Ca 0.18 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2hfv h LEU 34 Cb 0.21 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2hfv h LEU 34 CO -0.01 0.57 0.64 -0.07 -0.34 0.00 0.00 178.44 179.23 2hfv h LEU 35 N 0.63 1.09 -0.97 2.25 3.38 -1.08 -1.00 115.31 119.60 2hfv h LEU 35 Ca 0.16 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2hfv h LEU 35 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2hfv h LEU 35 CO -0.02 0.77 0.34 0.28 0.09 0.00 0.00 178.44 179.89 2hfv h SER 36 N 1.27 0.98 -0.07 -0.43 0.02 -0.99 0.11 113.55 114.43 2hfv h SER 36 Ca 0.37 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2hfv h SER 36 Cb -0.08 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.21 2hfv h SER 36 CO -0.10 0.84 -0.01 0.00 -1.14 0.00 0.00 176.83 176.43 2hfv h ALA 37 N 1.30 0.10 -0.92 3.77 0.00 -0.87 -2.05 119.26 120.60 2hfv h ALA 37 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2hfv h ALA 37 Cb 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2hfv h ALA 37 CO -0.03 -0.20 0.52 0.28 0.00 0.00 0.00 179.25 179.82 2hfv h VAL 38 N -0.18 1.26 -0.46 0.00 2.07 -1.04 -2.56 116.25 115.35 2hfv h VAL 38 Ca 0.02 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 66.94 2hfv h VAL 38 Cb 0.38 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2hfv h VAL 38 CO 0.01 0.29 0.29 1.23 0.02 0.00 0.00 177.57 179.40 2hfv h GLY 39 N 1.28 0.64 2.00 2.17 0.00 -0.67 -1.32 103.07 107.17 2hfv h GLY 39 Ca 0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2hfv h GLY 39 CO -0.06 0.21 -0.21 0.00 0.00 0.00 0.00 176.54 176.49 2hfv h ALA 40 N 1.18 1.56 0.05 3.60 0.00 -1.05 -0.21 119.26 124.38 2hfv h ALA 40 Ca 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hfv h ALA 40 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2hfv h ALA 40 CO -0.05 0.26 -0.02 -0.07 0.00 0.00 0.00 179.25 179.37 2hfv h LEU 41 N 0.00 -0.05 -0.64 0.00 3.38 -1.04 -1.85 115.31 115.12 2hfv h LEU 41 Ca -0.00 -0.58 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 2hfv h LEU 41 Cb 0.39 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2hfv h LEU 41 CO 0.03 0.59 -0.07 -0.07 0.09 0.00 0.00 178.44 179.01 2hfv h LEU 42 N -0.74 0.99 -0.56 1.67 3.38 -1.07 -1.82 115.31 117.16 2hfv h LEU 42 Ca -0.01 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 2hfv h LEU 42 Cb 0.63 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2hfv h LEU 42 CO 0.01 1.08 -0.45 0.44 0.09 0.00 0.00 178.44 179.61 2hfv h ASP 43 N 0.90 0.69 0.17 -0.43 5.19 -1.14 0.25 116.42 122.05 2hfv h ASP 43 Ca 0.15 -0.33 -0.09 0.00 -0.62 0.00 0.00 57.03 56.14 2hfv h ASP 43 Cb 0.62 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2hfv h ASP 43 CO 0.04 1.04 -0.32 1.23 -3.12 0.00 0.00 179.24 178.12 2hfv h GLY 44 N 0.99 0.25 -1.95 2.75 0.00 -1.06 -2.53 103.07 101.52 2hfv h GLY 44 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2hfv h GLY 44 CO 0.09 0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.82 2hfv n ALA 45 N -2.48 2.60 -2.42 3.60 0.00 -0.71 -4.90 120.51 116.20 2hfv n ALA 45 Ca -0.01 -0.93 -0.20 0.00 0.00 0.00 0.00 53.44 52.30 2hfv n ALA 45 Cb 0.41 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 2hfv n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hfv n ASP 46 N 0.84 -5.78 0.01 0.00 2.03 -0.95 -4.87 116.55 107.82 2hfv n ASP 46 Ca 0.17 -0.01 -0.21 0.00 0.52 0.00 0.00 54.79 55.26 2hfv n ASP 46 Cb 0.49 -4.82 -0.14 0.00 -0.72 0.00 0.00 41.12 35.94 2hfv n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2hfv h ILE 47 N -0.04 1.22 0.00 5.18 2.04 -0.75 -3.50 117.51 121.67 2hfv h ILE 47 Ca -0.48 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 62.95 2hfv h ILE 47 Cb 1.36 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 2hfv h ILE 47 CO 0.57 0.68 0.00 0.61 0.00 0.00 0.00 178.15 180.01 2hfv n GLY 48 N 1.69 -1.19 3.02 5.37 0.00 -1.00 -4.79 105.19 108.29 2hfv n GLY 48 Ca -0.21 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 2hfv n GLY 48 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2hfv s HIS 49 N -1.58 2.39 -0.62 1.61 -3.43 -1.26 -4.76 115.29 107.64 2hfv s HIS 49 Ca 0.00 -1.48 -0.14 0.00 -0.80 0.00 0.00 55.06 52.64 2hfv s HIS 49 Cb 0.00 -1.66 0.16 0.00 -1.43 0.00 0.00 32.58 29.64 2hfv s HIS 49 CO 0.00 -0.73 0.55 -0.51 -2.00 0.00 0.00 174.74 172.06 2hfv s LEU 50 N 1.41 6.24 -0.23 5.38 1.43 -1.06 -4.83 118.68 127.01 2hfv s LEU 50 Ca 0.02 -2.14 0.04 0.00 -1.03 0.00 0.00 54.13 51.02 2hfv s LEU 50 Cb -0.15 -2.16 -0.17 0.00 0.03 0.00 0.00 46.19 43.75 2hfv s LEU 50 CO -0.10 -0.72 -0.18 1.33 0.23 0.00 0.00 176.35 176.91 2hfv n VAL 51 N 4.72 1.37 -1.78 -1.59 0.24 -1.24 -0.89 118.33 119.17 2hfv n VAL 51 Ca -0.04 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 2hfv n VAL 51 Cb 0.42 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 2hfv n VAL 51 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2hfv n LEU 52 N -3.14 -5.32 0.44 1.34 7.94 -1.26 -3.26 117.00 113.73 2hfv n LEU 52 Ca -0.41 2.63 -0.19 0.00 -1.11 0.00 0.00 56.01 56.93 2hfv n LEU 52 Cb 0.97 -2.75 -0.09 0.00 0.53 0.00 0.00 43.42 42.09 2hfv n LEU 52 CO 0.26 -1.47 0.58 -0.78 -1.11 0.00 0.00 177.39 174.87 2hfv h ASP 53 N 3.49 -0.93 -6.78 1.96 3.58 -1.99 -3.44 116.42 112.31 2hfv h ASP 53 Ca 0.00 0.03 -0.56 0.00 0.42 0.00 0.00 57.03 56.91 2hfv h ASP 53 Cb 0.00 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2hfv h ASP 53 CO 0.00 -0.65 -1.00 1.67 -2.88 0.00 0.00 179.24 176.39 2hfv n GLN 54 N -5.55 -0.52 -2.52 0.28 7.27 -1.26 -4.82 117.38 110.25 2hfv n GLN 54 Ca -0.15 0.16 -0.43 0.00 0.07 0.00 0.00 57.00 56.65 2hfv n GLN 54 Cb 0.44 -2.93 0.00 0.00 2.41 0.00 0.00 30.24 30.16 2hfv n GLN 54 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2hfv n ASN 55 N -2.30 4.91 -0.10 1.69 2.85 -1.26 -4.62 115.26 116.43 2hfv n ASN 55 Ca -0.12 -2.97 -0.16 0.00 -0.11 0.00 0.00 54.58 51.22 2hfv n ASN 55 Cb 0.57 -1.61 -0.07 0.00 1.24 0.00 0.00 39.78 39.91 2hfv n ASN 55 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2hfv n MET 56 N 6.02 0.53 -2.50 1.20 2.81 -1.26 -4.56 117.12 119.36 2hfv n MET 56 Ca 0.43 0.50 -0.43 0.00 -1.81 0.00 0.00 57.70 56.39 2hfv n MET 56 Cb 0.41 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2hfv n MET 56 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2hfv n SER 57 N -4.48 4.87 -4.56 7.83 7.64 -1.26 -4.92 113.62 118.75 2hfv n SER 57 Ca -0.25 -2.96 -0.38 0.00 1.01 0.00 0.00 58.87 56.29 2hfv n SER 57 Cb 0.55 -1.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 2hfv n SER 57 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2hfv s ILE 58 N 2.46 3.76 -0.27 0.44 1.10 -1.26 -4.90 121.20 122.53 2hfv s ILE 58 Ca 0.46 -0.42 -0.01 0.00 -0.51 0.00 0.00 60.65 60.18 2hfv s ILE 58 Cb 0.05 -4.76 0.08 0.00 0.15 0.00 0.00 42.46 37.98 2hfv s ILE 58 CO 0.01 -1.67 0.06 -0.22 -2.11 0.00 0.00 174.94 171.02 2hfv s LEU 59 N 6.37 1.99 0.00 8.50 1.98 -1.26 -5.06 118.68 131.20 2hfv s LEU 59 Ca 0.50 -1.36 0.00 0.00 -2.89 0.00 0.00 54.13 50.39 2hfv s LEU 59 Cb -0.04 -0.83 0.00 0.00 0.66 0.00 0.00 46.19 45.99 2hfv s LEU 59 CO -0.02 -0.36 0.36 1.21 -1.89 0.00 0.00 176.35 175.65 2hfv n GLU 60 N 4.88 0.00 0.00 1.98 2.13 -1.26 -3.81 120.64 124.57 2hfv n GLU 60 Ca -0.05 0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2hfv n GLU 60 Cb 0.44 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 31.23 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hfv n GLY 61 N 0.62 1.26 1.21 8.31 0.00 -1.26 -1.21 105.19 114.13 2hfv n GLY 61 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2hfv n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hfv n SER 62 N 2.76 0.06 0.00 1.61 7.64 -1.26 -4.97 113.62 119.46 2hfv n SER 62 Ca 0.00 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2hfv n SER 62 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2hfv n SER 62 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hfv n LEU 63 N -2.94 1.93 -1.22 -3.43 4.77 -1.12 -5.08 117.00 109.92 2hfv n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hfv n LEU 63 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2hfv n LEU 63 CO 0.00 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2hfv n GLY 64 N 3.21 -0.15 3.52 -0.72 0.00 -0.35 -4.90 105.19 105.80 2hfv n GLY 64 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2hfv n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfv s VAL 65 N -2.43 4.08 -0.50 1.61 1.01 -1.26 -4.94 120.40 117.97 2hfv s VAL 65 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 2hfv s VAL 65 Cb 0.00 -4.89 0.13 0.00 0.00 0.00 0.00 36.38 31.61 2hfv s VAL 65 CO 0.00 -1.75 0.40 -0.63 0.00 0.00 0.00 175.10 173.13 2hfv s ILE 66 N 4.64 4.53 -0.46 2.22 1.09 -1.26 -5.01 121.20 126.95 2hfv s ILE 66 Ca 0.36 -1.74 -0.28 0.00 -1.10 0.00 0.00 60.65 57.88 2hfv s ILE 66 Cb -0.07 -3.96 -0.01 0.00 -1.06 0.00 0.00 42.46 37.37 2hfv s ILE 66 CO 0.02 -0.81 1.64 -2.84 -0.10 0.00 0.00 174.94 172.85 2hfv s PRO 67 N 1.37 3.22 -0.02 2.79 0.02 -1.26 -4.98 135.00 136.15 2hfv s PRO 67 Ca 0.05 0.93 -0.22 0.00 0.02 0.00 0.00 61.00 61.78 2hfv s PRO 67 Cb -0.27 -4.19 -0.05 0.00 0.02 0.00 0.00 34.50 30.02 2hfv s PRO 67 CO 0.00 -2.00 0.64 1.03 -0.33 0.00 0.00 177.00 176.34 2hfv s ARG 68 N 5.77 4.38 -0.04 5.54 0.52 -1.25 -4.99 118.95 128.89 2hfv s ARG 68 Ca 0.67 0.81 0.07 0.00 -0.52 0.00 0.00 55.73 56.76 2hfv s ARG 68 Cb -0.16 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 2hfv s ARG 68 CO 0.29 0.27 -0.26 1.03 0.02 0.00 0.00 175.30 176.65 2hfv s ARG 69 N 0.11 2.30 -0.46 3.54 0.52 -1.20 -3.79 118.95 119.97 2hfv s ARG 69 Ca 0.34 -0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 54.47 2hfv s ARG 69 Cb -0.18 -2.09 0.06 0.00 0.52 0.00 0.00 34.95 33.26 2hfv s ARG 69 CO 0.18 0.48 0.38 0.08 0.02 0.00 0.00 175.30 176.45 2hfv s VAL 70 N -0.41 5.24 -0.20 3.52 1.01 -0.22 -3.60 120.40 125.74 2hfv s VAL 70 Ca 0.04 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2hfv s VAL 70 Cb -0.12 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2hfv s VAL 70 CO 0.01 -0.54 0.07 -0.76 0.00 0.00 0.00 175.10 173.88 2hfv s LEU 71 N 1.66 3.73 0.00 3.92 1.02 -0.07 0.16 118.68 129.11 2hfv s LEU 71 Ca 0.04 0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.24 2hfv s LEU 71 Cb -0.23 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.05 2hfv s LEU 71 CO 0.07 0.13 0.26 1.33 0.02 0.00 0.00 176.35 178.16 2hfv n VAL 72 N 3.85 0.00 -4.02 -1.59 0.24 0.22 -2.58 118.33 114.45 2hfv n VAL 72 Ca -0.16 -1.35 -0.22 0.00 -2.04 0.00 0.00 64.34 60.57 2hfv n VAL 72 Cb 0.52 -0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.63 2hfv n VAL 72 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2hfv s HIS 73 N -1.68 2.95 0.63 6.34 3.76 -1.26 -0.16 115.29 125.87 2hfv s HIS 73 Ca 0.20 -0.22 0.36 0.00 -0.15 0.00 0.00 55.06 55.25 2hfv s HIS 73 Cb -0.02 -1.55 2.08 0.00 1.11 0.00 0.00 32.58 34.21 2hfv s HIS 73 CO 0.13 0.39 2.29 0.93 -0.85 0.00 0.00 174.74 177.62 2hfv h GLU 74 N 1.44 0.00 -0.99 1.40 4.39 -1.41 -2.57 114.58 116.84 2hfv h GLU 74 Ca -0.46 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.48 2hfv h GLU 74 Cb 1.25 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.81 2hfv h GLU 74 CO 0.60 0.00 0.64 0.22 -1.16 0.00 0.00 179.01 179.31 2hfv h ASP 75 N 0.00 0.46 -0.02 1.42 3.58 -1.83 -3.08 116.42 116.95 2hfv h ASP 75 Ca 0.01 0.07 -0.18 0.00 0.42 0.00 0.00 57.03 57.35 2hfv h ASP 75 Cb 0.06 -0.01 -0.37 0.00 1.72 0.00 0.00 39.33 40.73 2hfv h ASP 75 CO -0.00 0.13 -0.99 -0.67 -2.88 0.00 0.00 179.24 174.83 2hfv n ASP 76 N -4.59 0.88 -0.10 2.28 -0.08 -1.00 -4.91 116.55 109.03 2hfv n ASP 76 Ca 0.23 -2.00 -0.07 0.00 -1.51 0.00 0.00 54.79 51.44 2hfv n ASP 76 Cb 0.79 -0.26 0.01 0.00 2.34 0.00 0.00 41.12 43.99 2hfv n ASP 76 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2hfv h LEU 77 N 1.02 0.21 -0.34 -2.67 7.12 -1.39 0.28 115.31 119.54 2hfv h LEU 77 Ca -0.25 0.02 -0.16 0.00 0.13 0.00 0.00 57.88 57.62 2hfv h LEU 77 Cb 1.83 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.94 2hfv h LEU 77 CO 0.08 0.16 -0.42 0.00 -0.13 0.00 0.00 178.44 178.12 2hfv h ALA 78 N 1.19 0.51 -0.11 1.25 0.00 -1.90 -2.61 119.26 117.59 2hfv h ALA 78 Ca 0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2hfv h ALA 78 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2hfv h ALA 78 CO -0.12 0.63 -0.00 0.78 0.00 0.00 0.00 179.25 180.54 2hfv h GLY 79 N 0.68 0.21 0.68 0.00 0.00 -1.82 -2.55 103.07 100.27 2hfv h GLY 79 Ca 0.04 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.29 2hfv h GLY 79 CO 0.10 0.14 0.57 0.00 0.00 0.00 0.00 176.54 177.35 2hfv h ALA 80 N 0.73 1.27 0.34 3.60 0.00 -0.51 0.41 119.26 125.11 2hfv h ALA 80 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2hfv h ALA 80 Cb 0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hfv h ALA 80 CO 0.01 0.30 -0.20 0.00 0.00 0.00 0.00 179.25 179.35 2hfv h ARG 81 N 1.01 -0.50 -0.58 0.00 3.08 -1.31 -0.38 114.38 115.69 2hfv h ARG 81 Ca 0.40 0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.42 2hfv h ARG 81 Cb 0.22 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2hfv h ARG 81 CO -0.19 -0.33 0.09 0.00 -1.07 0.00 0.00 179.97 178.46 2hfv h ARG 82 N -0.52 0.94 -0.26 0.04 3.08 -1.12 0.13 114.38 116.67 2hfv h ARG 82 Ca -0.04 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 59.80 2hfv h ARG 82 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2hfv h ARG 82 CO 0.04 0.87 0.12 1.25 -1.07 0.00 0.00 179.97 181.19 2hfv h LEU 83 N 0.89 0.17 -0.76 3.04 5.85 -0.71 0.92 115.31 124.72 2hfv h LEU 83 Ca 0.18 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 2hfv h LEU 83 Cb 0.40 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2hfv h LEU 83 CO 0.01 0.14 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.62 2hfv h LEU 84 N 0.26 0.00 -0.23 2.25 4.07 -0.80 -2.41 115.31 118.44 2hfv h LEU 84 Ca 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 2hfv h LEU 84 Cb 0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2hfv h LEU 84 CO -0.08 0.56 -0.01 0.74 -1.08 0.00 0.00 178.44 178.57 2hfv h THR 85 N 0.00 1.26 -0.11 0.22 2.02 -0.15 -2.66 112.91 113.49 2hfv h THR 85 Ca -0.01 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 2hfv h THR 85 Cb 1.07 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2hfv h THR 85 CO 0.07 0.28 -0.22 -0.78 0.37 0.00 0.00 175.52 175.25 2hfv h ASP 86 N 0.18 0.19 0.39 4.18 3.58 -0.77 -1.69 116.42 122.48 2hfv h ASP 86 Ca 0.07 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2hfv h ASP 86 Cb 0.42 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2hfv h ASP 86 CO 0.01 0.42 -0.21 0.00 -2.88 0.00 0.00 179.24 176.58 2hfv h ALA 87 N 1.60 1.36 0.00 -0.78 0.00 -1.26 -3.46 119.26 116.71 2hfv h ALA 87 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2hfv h ALA 87 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hfv h ALA 87 CO 0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2hfv n GLY 88 N -0.61 2.05 0.31 0.00 0.00 -0.63 -4.90 105.19 101.42 2hfv n GLY 88 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2hfv n GLY 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2hfv n LEU 89 N 0.00 0.90 -4.57 0.99 -0.00 -1.19 -4.70 117.00 108.43 2hfv n LEU 89 Ca 0.00 -0.44 -0.21 0.00 -0.00 0.00 0.00 56.01 55.36 2hfv n LEU 89 Cb 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 43.42 43.25 2hfv n LEU 89 CO 0.00 0.22 1.30 0.00 -0.00 0.00 0.00 177.39 178.91 2hfv s ALA 90 N -1.79 1.22 0.00 1.47 0.00 -1.10 -3.41 121.76 118.16 2hfv s ALA 90 Ca 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.67 2hfv s ALA 90 Cb 0.07 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2hfv s ALA 90 CO 0.09 -5.54 0.00 1.58 0.00 0.00 0.00 175.76 171.89 2hfv n HIS 91 N 16.28 0.00 1.97 0.00 -0.00 -1.26 -4.89 115.22 127.32 2hfv n HIS 91 Ca 0.43 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 58.25 2hfv n HIS 91 Cb 0.46 0.00 0.55 0.00 -0.00 0.00 0.00 29.99 31.00 2hfv n HIS 91 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2hfv n GLU 92 N -1.06 1.03 -2.05 1.57 -0.58 -1.22 -4.89 120.64 113.45 2hfv n GLU 92 Ca 0.00 -0.05 -0.39 0.00 -0.42 0.00 0.00 57.16 56.30 2hfv n GLU 92 Cb 0.00 -1.30 -0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2hfv n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2hfv s LEU 93 N -1.59 4.20 -0.68 -4.62 1.02 -1.26 -1.52 118.68 114.23 2hfv s LEU 93 Ca 0.28 2.65 0.05 0.00 0.02 0.00 0.00 54.13 57.14 2hfv s LEU 93 Cb 0.13 -3.92 0.24 0.00 0.02 0.00 0.00 46.19 42.66 2hfv s LEU 93 CO 0.22 -0.88 0.76 0.54 0.02 0.00 0.00 176.35 177.02 2hfv n ARG 94 N 0.08 2.57 -0.17 1.70 3.00 0.88 -4.83 116.66 119.89 2hfv n ARG 94 Ca 0.04 -4.64 -0.02 0.00 -0.01 0.00 0.00 57.85 53.21 2hfv n ARG 94 Cb 0.44 -2.28 0.02 0.00 0.00 0.00 0.00 32.46 30.63 2hfv n ARG 94 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2hfv n SER 95 N 1.05 3.39 -0.53 0.55 3.41 -1.26 -4.08 113.62 116.16 2hfv n SER 95 Ca 0.28 -2.20 0.07 0.00 -0.26 0.00 0.00 58.87 56.77 2hfv n SER 95 Cb 0.40 -0.61 0.26 0.00 -0.26 0.00 0.00 64.21 64.00 2hfv n SER 95 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2hfv n ASP 96 N 0.47 1.56 -0.83 4.04 9.92 -1.26 -5.19 116.55 125.26 2hfv n ASP 96 Ca 0.05 -1.85 0.13 0.00 -0.53 0.00 0.00 54.79 52.59 2hfv n ASP 96 Cb 0.59 -0.15 0.22 0.00 -0.64 0.00 0.00 41.12 41.14 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66