#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 0.70 2.90 3.03 0.00 -1.26 -5.08 105.19 105.49 2hfv n GLY 2 Ca 0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 2hfv n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hfv n SER 3 N 0.00 3.56 -4.20 1.61 7.64 -1.26 -5.05 113.62 115.92 2hfv n SER 3 Ca 0.00 -3.23 -0.23 0.00 1.01 0.00 0.00 58.87 56.42 2hfv n SER 3 Cb 0.00 -0.85 -0.14 0.00 -1.01 0.00 0.00 64.21 62.22 2hfv n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hfv s SER 4 N -1.24 2.10 -0.29 6.43 0.01 -1.26 -5.12 113.70 114.33 2hfv s SER 4 Ca 0.28 -0.47 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 2hfv s SER 4 Cb -0.02 -0.17 0.09 0.00 0.21 0.00 0.00 66.02 66.13 2hfv s SER 4 CO -0.13 0.12 0.10 -2.28 0.41 0.00 0.00 173.24 171.45 2hfv s HIS 5 N -0.76 1.20 -0.05 2.43 5.65 -1.26 -5.11 115.29 117.39 2hfv s HIS 5 Ca 0.05 -1.35 -0.00 0.00 0.25 0.00 0.00 55.06 54.01 2hfv s HIS 5 Cb -0.08 -1.37 0.03 0.00 -1.18 0.00 0.00 32.58 29.97 2hfv s HIS 5 CO 0.01 -0.82 -0.02 -1.58 -0.65 0.00 0.00 174.74 171.68 2hfv s HIS 6 N 1.80 0.62 -0.15 3.88 2.46 -1.26 -5.13 115.29 117.51 2hfv s HIS 6 Ca 0.08 -0.14 -0.10 0.00 0.47 0.00 0.00 55.06 55.37 2hfv s HIS 6 Cb -0.17 -0.66 0.05 0.00 -0.13 0.00 0.00 32.58 31.67 2hfv s HIS 6 CO -0.26 -0.23 0.37 -3.38 -2.47 0.00 0.00 174.74 168.77 2hfv s HIS 7 N 1.35 -0.50 -0.21 3.88 0.00 -1.26 -5.14 115.29 113.41 2hfv s HIS 7 Ca -0.05 1.11 -0.02 0.00 -3.00 0.00 0.00 55.06 53.11 2hfv s HIS 7 Cb -0.13 0.19 0.06 0.00 -4.00 0.00 0.00 32.58 28.70 2hfv s HIS 7 CO -0.02 -0.28 0.03 -1.58 -1.00 0.00 0.00 174.74 171.88 2hfv s HIS 8 N 1.02 1.33 -0.30 0.38 2.46 -1.26 -5.08 115.29 113.83 2hfv s HIS 8 Ca -0.07 -1.10 0.02 0.00 0.47 0.00 0.00 55.06 54.39 2hfv s HIS 8 Cb -0.07 -1.19 0.16 0.00 -0.13 0.00 0.00 32.58 31.35 2hfv s HIS 8 CO -0.08 -0.67 0.42 -1.58 -2.47 0.00 0.00 174.74 170.36 2hfv s HIS 9 N 1.76 -0.96 -0.28 3.88 5.65 -1.26 -5.10 115.29 118.97 2hfv s HIS 9 Ca -0.01 0.19 -0.04 0.00 0.25 0.00 0.00 55.06 55.45 2hfv s HIS 9 Cb -0.17 -0.17 0.15 0.00 -1.18 0.00 0.00 32.58 31.21 2hfv s HIS 9 CO -0.10 -0.99 0.54 -1.58 -0.65 0.00 0.00 174.74 171.96 2hfv s HIS 10 N 2.39 -1.29 -0.02 3.88 5.65 -1.26 -5.15 115.29 119.49 2hfv s HIS 10 Ca 0.11 1.61 0.02 0.00 0.25 0.00 0.00 55.06 57.05 2hfv s HIS 10 Cb -0.12 0.46 0.00 0.00 -1.18 0.00 0.00 32.58 31.74 2hfv s HIS 10 CO -0.26 -0.76 -0.06 -1.12 -0.65 0.00 0.00 174.74 171.88 2hfv s SER 11 N 2.77 0.86 0.16 9.88 0.01 -1.26 -5.15 113.70 120.96 2hfv s SER 11 Ca 0.11 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 2hfv s SER 11 Cb -0.14 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2hfv s SER 11 CO -0.19 0.05 0.08 -0.44 0.41 0.00 0.00 173.24 173.15 2hfv s SER 12 N 0.12 0.33 0.00 2.44 0.01 -1.26 -5.11 113.70 110.23 2hfv s SER 12 Ca -0.01 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 55.97 2hfv s SER 12 Cb -0.06 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2hfv s SER 12 CO -0.00 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.50 2hfv n GLY 13 N -0.17 0.56 2.84 3.44 0.00 -1.26 -5.14 105.19 105.46 2hfv n GLY 13 Ca -0.03 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2hfv n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hfv s ARG 14 N 0.00 0.37 -0.20 1.61 1.70 -1.26 -5.14 118.95 116.02 2hfv s ARG 14 Ca 0.00 0.04 -0.28 0.00 -0.47 0.00 0.00 55.73 55.02 2hfv s ARG 14 Cb 0.00 -0.48 0.11 0.00 -0.57 0.00 0.00 34.95 34.01 2hfv s ARG 14 CO 0.00 -1.00 0.93 -2.00 -1.08 0.00 0.00 175.30 172.15 2hfv s GLU 15 N 2.46 0.66 0.00 3.89 -6.30 -1.26 -5.04 118.70 113.11 2hfv s GLU 15 Ca 0.10 0.44 0.00 0.00 -2.50 0.00 0.00 54.97 53.01 2hfv s GLU 15 Cb -0.13 0.32 0.00 0.00 0.00 0.00 0.00 34.13 34.31 2hfv s GLU 15 CO -0.30 -0.15 0.01 0.27 0.02 0.00 0.00 175.26 175.11 2hfv n ASN 16 N 1.57 0.00 -4.91 -1.70 6.94 -1.26 -5.17 115.26 110.73 2hfv n ASN 16 Ca -0.13 -0.02 -0.25 0.00 -0.02 0.00 0.00 54.58 54.16 2hfv n ASN 16 Cb 0.57 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.95 2hfv n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2hfv s LEU 17 N 0.00 4.18 0.00 -4.53 1.43 -1.26 -5.03 118.68 113.48 2hfv s LEU 17 Ca 0.00 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2hfv s LEU 17 Cb 0.00 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2hfv s LEU 17 CO 0.00 0.03 0.00 0.00 0.23 0.00 0.00 176.35 176.61 2hfv n TYR 18 N -0.72 -2.34 -1.59 0.29 9.36 -1.26 -5.04 117.16 115.86 2hfv n TYR 18 Ca -0.08 0.53 -0.01 0.00 3.32 0.00 0.00 57.90 61.67 2hfv n TYR 18 Cb 0.55 -0.95 0.00 0.00 -0.63 0.00 0.00 39.34 38.31 2hfv n TYR 18 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2hfv n PHE 19 N -1.90 -0.15 -3.92 2.98 3.72 -1.26 -5.11 117.46 111.83 2hfv n PHE 19 Ca 0.00 0.05 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 2hfv n PHE 19 Cb 0.19 -2.31 -0.12 0.00 -0.94 0.00 0.00 39.48 36.31 2hfv n PHE 19 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2hfv s GLN 20 N -3.05 0.27 0.00 -1.08 -0.21 -1.26 -5.01 119.66 109.32 2hfv s GLN 20 Ca 0.02 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.02 2hfv s GLN 20 Cb -0.00 0.10 0.00 0.00 1.00 0.00 0.00 33.01 34.11 2hfv s GLN 20 CO 0.04 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 2hfv n GLY 21 N 1.99 -0.68 2.62 3.09 0.00 -1.26 -5.03 105.19 105.93 2hfv n GLY 21 Ca -0.20 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 2hfv n GLY 21 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hfv n HIS 22 N 0.00 2.83 -1.25 1.61 8.25 -1.26 -5.05 115.22 120.35 2hfv n HIS 22 Ca 0.00 -4.12 0.15 0.00 -0.26 0.00 0.00 57.72 53.49 2hfv n HIS 22 Cb 0.00 -0.51 -0.08 0.00 1.12 0.00 0.00 29.99 30.52 2hfv n HIS 22 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2hfv n LEU 23 N 1.55 -0.87 -3.91 2.41 4.77 -1.26 -4.96 117.00 114.73 2hfv n LEU 23 Ca 0.25 2.01 -0.22 0.00 -0.03 0.00 0.00 56.01 58.02 2hfv n LEU 23 Cb 0.40 -3.04 -0.17 0.00 -2.33 0.00 0.00 43.42 38.28 2hfv n LEU 23 CO 0.30 -2.07 -0.42 -0.13 -1.33 0.00 0.00 177.39 173.74 2hfv s ARG 24 N -3.85 1.07 -0.08 3.23 1.81 -1.25 -4.94 118.95 114.93 2hfv s ARG 24 Ca 0.00 -0.16 -0.30 0.00 -1.72 0.00 0.00 55.73 53.55 2hfv s ARG 24 Cb 0.00 -1.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.40 2hfv s ARG 24 CO 0.00 -0.10 1.47 -2.00 -0.68 0.00 0.00 175.30 173.99 2hfv s GLU 25 N 1.07 4.22 -0.13 3.54 2.12 -1.26 -2.72 118.70 125.53 2hfv s GLU 25 Ca -0.08 1.96 -0.23 0.00 0.36 0.00 0.00 54.97 56.98 2hfv s GLU 25 Cb -0.14 -3.83 -0.21 0.00 0.26 0.00 0.00 34.13 30.21 2hfv s GLU 25 CO -0.01 -0.75 0.64 1.25 -0.54 0.00 0.00 175.26 175.86 2hfv h LEU 26 N 9.71 -0.00 -7.14 2.70 7.12 -0.98 -3.39 115.31 123.32 2hfv h LEU 26 Ca -0.34 -0.79 -0.06 0.00 0.13 0.00 0.00 57.88 56.82 2hfv h LEU 26 Cb 1.15 0.00 -0.16 0.00 -0.53 0.00 0.00 40.66 41.12 2hfv h LEU 26 CO 0.95 0.88 0.08 -1.48 -0.13 0.00 0.00 178.44 178.74 2hfv s LEU 27 N -8.32 -0.23 -0.19 2.25 2.34 -1.21 -0.03 118.68 113.29 2hfv s LEU 27 Ca -0.15 0.25 -0.02 0.00 0.06 0.00 0.00 54.13 54.27 2hfv s LEU 27 Cb -0.02 2.25 0.06 0.00 -0.56 0.00 0.00 46.19 47.91 2hfv s LEU 27 CO 0.56 -0.73 -0.00 -0.60 -1.06 0.00 0.00 176.35 174.52 2hfv s ARG 28 N -2.38 1.00 0.26 1.48 3.52 -1.26 -0.93 118.95 120.65 2hfv s ARG 28 Ca -0.06 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 55.06 2hfv s ARG 28 Cb -0.01 -2.14 -0.06 0.00 -1.56 0.00 0.00 34.95 31.19 2hfv s ARG 28 CO -0.01 -0.58 -0.05 -0.08 -0.81 0.00 0.00 175.30 173.77 2hfv s THR 29 N 1.72 1.51 -0.98 4.11 -1.32 -0.83 -4.98 115.64 114.88 2hfv s THR 29 Ca -0.02 -2.11 0.13 0.00 -1.21 0.00 0.00 61.69 58.49 2hfv s THR 29 Cb -0.17 -2.40 -0.06 0.00 -1.51 0.00 0.00 72.50 68.36 2hfv s THR 29 CO -0.07 -0.32 0.67 0.59 -2.21 0.00 0.00 174.62 173.28 2hfv n ASN 30 N -0.54 1.11 -4.78 8.08 4.13 -1.26 -1.80 115.26 120.20 2hfv n ASN 30 Ca -0.06 -1.05 -0.37 0.00 1.68 0.00 0.00 54.58 54.78 2hfv n ASN 30 Cb 0.63 0.69 -0.06 0.00 -1.54 0.00 0.00 39.78 39.50 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2hfv s ASP 31 N -1.90 6.56 0.12 6.41 2.15 -1.26 -4.83 116.67 123.92 2hfv s ASP 31 Ca 0.09 0.67 0.00 0.00 0.43 0.00 0.00 52.55 53.74 2hfv s ASP 31 Cb 0.10 -2.20 -0.16 0.00 -0.30 0.00 0.00 42.92 40.37 2hfv s ASP 31 CO 0.42 0.20 1.26 0.00 -0.17 0.00 0.00 175.17 176.88 2hfv h ALA 32 N 5.85 0.31 -0.26 3.66 0.00 -1.96 -3.17 119.26 123.69 2hfv h ALA 32 Ca -0.46 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.63 2hfv h ALA 32 Cb 1.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2hfv h ALA 32 CO 0.69 1.00 0.17 0.28 0.00 0.00 0.00 179.25 181.39 2hfv h VAL 33 N 0.08 1.06 -0.85 0.00 2.07 -2.00 0.07 116.25 116.69 2hfv h VAL 33 Ca -0.07 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2hfv h VAL 33 Cb 1.74 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2hfv h VAL 33 CO 0.16 0.06 0.42 0.25 0.02 0.00 0.00 177.57 178.49 2hfv h LEU 34 N 0.35 1.10 -0.60 2.57 5.85 -2.00 -2.58 115.31 120.00 2hfv h LEU 34 Ca 0.10 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2hfv h LEU 34 Cb -0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 2hfv h LEU 34 CO -0.02 0.92 0.33 -0.07 -0.34 0.00 0.00 178.44 179.25 2hfv h LEU 35 N 1.20 0.75 -0.93 2.25 3.38 -1.34 -0.07 115.31 120.55 2hfv h LEU 35 Ca 0.29 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2hfv h LEU 35 Cb 0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2hfv h LEU 35 CO -0.04 0.63 0.61 0.28 0.09 0.00 0.00 178.44 180.01 2hfv h SER 36 N 0.81 1.05 0.19 -0.43 0.02 -0.72 0.28 113.55 114.75 2hfv h SER 36 Ca 0.21 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2hfv h SER 36 Cb 0.05 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2hfv h SER 36 CO -0.03 0.74 -0.09 0.00 -1.14 0.00 0.00 176.83 176.31 2hfv h ALA 37 N 1.36 -0.26 -0.89 3.77 0.00 -1.07 -1.80 119.26 120.38 2hfv h ALA 37 Ca 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2hfv h ALA 37 Cb -0.09 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2hfv h ALA 37 CO -0.09 -0.34 0.51 0.28 0.00 0.00 0.00 179.25 179.60 2hfv h VAL 38 N -0.85 1.25 -0.09 0.00 2.07 -0.99 -1.88 116.25 115.76 2hfv h VAL 38 Ca -0.03 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2hfv h VAL 38 Cb 0.52 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2hfv h VAL 38 CO 0.04 0.27 0.05 1.23 0.02 0.00 0.00 177.57 179.18 2hfv h GLY 39 N 1.24 0.13 1.72 2.17 0.00 -0.49 -2.11 103.07 105.74 2hfv h GLY 39 Ca 0.32 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 2hfv h GLY 39 CO -0.05 0.06 -0.09 0.00 0.00 0.00 0.00 176.54 176.46 2hfv h ALA 40 N 0.94 1.44 0.13 3.60 0.00 -1.04 0.21 119.26 124.54 2hfv h ALA 40 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2hfv h ALA 40 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hfv h ALA 40 CO -0.00 0.39 -0.06 -0.07 0.00 0.00 0.00 179.25 179.50 2hfv h LEU 41 N 0.34 -0.15 -0.64 0.00 3.38 -1.10 0.32 115.31 117.46 2hfv h LEU 41 Ca 0.07 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 2hfv h LEU 41 Cb 0.37 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2hfv h LEU 41 CO 0.02 0.15 -0.53 -0.07 0.09 0.00 0.00 178.44 178.11 2hfv h LEU 42 N -0.46 0.00 0.15 1.67 3.38 -1.22 -2.36 115.31 116.46 2hfv h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2hfv h LEU 42 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2hfv h LEU 42 CO 0.03 0.53 -0.07 -0.78 0.09 0.00 0.00 178.44 178.23 2hfv h ASP 43 N 0.00 -0.17 -0.30 -0.43 1.82 -0.52 -0.54 116.42 116.29 2hfv h ASP 43 Ca -0.01 -0.32 -0.08 0.00 -0.39 0.00 0.00 57.03 56.24 2hfv h ASP 43 Cb 1.12 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 2hfv h ASP 43 CO 0.07 0.42 -0.07 1.23 -1.61 0.00 0.00 179.24 179.27 2hfv h GLY 44 N -0.94 0.74 0.78 -0.78 0.00 -0.41 -1.10 103.07 101.36 2hfv h GLY 44 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2hfv h GLY 44 CO 0.03 0.48 -0.02 0.00 0.00 0.00 0.00 176.54 177.03 2hfv n ALA 45 N -2.48 2.66 -2.13 3.60 0.00 -0.89 -4.89 120.51 116.38 2hfv n ALA 45 Ca 0.02 -0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 2hfv n ALA 45 Cb 0.33 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.81 -5.67 -0.25 0.00 2.03 -0.42 -4.86 116.55 106.57 2hfv n ASP 46 Ca 0.20 0.15 -0.05 0.00 0.52 0.00 0.00 54.79 55.60 2hfv n ASP 46 Cb 0.21 -4.77 0.09 0.00 -0.72 0.00 0.00 41.12 35.92 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 0.00 1.25 0.00 5.18 1.08 -1.34 -3.49 117.51 120.20 2hfv h ILE 47 Ca -0.46 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 2hfv h ILE 47 Cb 1.35 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2hfv h ILE 47 CO 0.58 0.34 0.00 0.61 -0.69 0.00 0.00 178.15 178.99 2hfv n GLY 48 N -0.83 2.72 2.91 5.37 0.00 -1.11 -4.78 105.19 109.47 2hfv n GLY 48 Ca 0.06 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 0.16 -0.67 1.61 -3.43 -1.26 -4.40 115.29 107.31 2hfv s HIS 49 Ca 0.00 -0.11 -0.05 0.00 -0.80 0.00 0.00 55.06 54.09 2hfv s HIS 49 Cb 0.00 -0.11 0.17 0.00 -1.43 0.00 0.00 32.58 31.22 2hfv s HIS 49 CO 0.00 -0.03 0.51 -1.17 -2.00 0.00 0.00 174.74 172.05 2hfv s LEU 50 N -0.30 5.58 0.00 5.38 1.98 0.19 -4.99 118.68 126.53 2hfv s LEU 50 Ca -0.02 -2.79 0.02 0.00 -2.89 0.00 0.00 54.13 48.44 2hfv s LEU 50 Cb -0.02 -1.94 -0.01 0.00 0.66 0.00 0.00 46.19 44.88 2hfv s LEU 50 CO -0.00 -0.42 0.07 1.33 -1.89 0.00 0.00 176.35 175.44 2hfv n VAL 51 N 3.63 0.00 -3.46 1.68 0.24 -1.26 -3.23 118.33 115.93 2hfv n VAL 51 Ca 0.09 -1.16 -0.14 0.00 -2.04 0.00 0.00 64.34 61.09 2hfv n VAL 51 Cb 0.40 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 2hfv n VAL 51 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2hfv s LEU 52 N 0.00 -0.59 0.43 1.34 2.96 -1.26 -5.12 118.68 116.44 2hfv s LEU 52 Ca 0.10 0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 54.01 2hfv s LEU 52 Cb 0.01 2.54 -0.08 0.00 0.50 0.00 0.00 46.19 49.16 2hfv s LEU 52 CO 0.07 -0.83 1.17 -0.62 -1.32 0.00 0.00 176.35 174.82 2hfv s ASP 53 N -2.21 6.33 -0.09 3.68 -1.08 -1.26 -4.96 116.67 117.08 2hfv s ASP 53 Ca -0.03 2.32 0.14 0.00 -0.52 0.00 0.00 52.55 54.46 2hfv s ASP 53 Cb -0.01 -2.61 0.21 0.00 -1.46 0.00 0.00 42.92 39.05 2hfv s ASP 53 CO -0.05 -0.80 1.10 0.00 0.52 0.00 0.00 175.17 175.93 2hfv n GLN 54 N -0.24 1.43 -3.78 4.34 -0.00 -1.26 -5.00 117.38 112.87 2hfv n GLN 54 Ca 0.06 -2.20 -0.13 0.00 -0.00 0.00 0.00 57.00 54.73 2hfv n GLN 54 Cb 0.47 -1.30 -0.12 0.00 -0.00 0.00 0.00 30.24 29.29 2hfv n GLN 54 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2hfv s ASN 55 N -2.32 -0.26 0.31 2.61 3.84 -1.26 -3.59 114.94 114.28 2hfv s ASN 55 Ca 0.23 0.50 -0.27 0.00 0.21 0.00 0.00 52.86 53.53 2hfv s ASN 55 Cb 0.20 0.48 -0.10 0.00 -0.55 0.00 0.00 41.25 41.29 2hfv s ASN 55 CO 0.02 -0.10 0.96 -0.04 -2.79 0.00 0.00 177.10 175.15 2hfv s MET 56 N 0.31 4.60 -1.46 0.43 -1.94 -1.26 -4.94 119.30 115.03 2hfv s MET 56 Ca -0.01 1.39 -0.10 0.00 -1.71 0.00 0.00 55.69 55.25 2hfv s MET 56 Cb -0.03 -2.87 0.03 0.00 2.01 0.00 0.00 34.83 33.97 2hfv s MET 56 CO -0.01 0.28 2.48 0.43 -0.01 0.00 0.00 175.02 178.19 2hfv n SER 57 N 0.68 6.88 -2.15 3.03 7.64 -1.26 -4.56 113.62 123.87 2hfv n SER 57 Ca 0.01 -2.86 -0.00 0.00 1.01 0.00 0.00 58.87 57.04 2hfv n SER 57 Cb 0.49 -1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2hfv n SER 57 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2hfv n ILE 58 N 3.45 -7.51 -3.15 0.44 2.08 -1.26 -5.09 119.36 108.31 2hfv n ILE 58 Ca 0.62 1.04 0.04 0.00 0.56 0.00 0.00 62.75 65.01 2hfv n ILE 58 Cb 0.29 -5.57 -0.00 0.00 -0.75 0.00 0.00 39.64 33.61 2hfv n ILE 58 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2hfv s LEU 59 N -0.85 -1.49 0.00 1.39 2.96 -1.26 -5.00 118.68 114.42 2hfv s LEU 59 Ca -0.01 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 2hfv s LEU 59 Cb 0.00 2.08 0.00 0.00 0.50 0.00 0.00 46.19 48.77 2hfv s LEU 59 CO 0.43 -0.28 0.00 -1.84 -1.32 0.00 0.00 176.35 173.34 2hfv n GLU 60 N 5.42 0.00 -3.71 1.98 0.28 -1.26 -4.61 120.64 118.74 2hfv n GLU 60 Ca 0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.64 2hfv n GLU 60 Cb 0.53 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.28 2hfv n GLU 60 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2hfv s GLY 61 N 0.00 1.83 0.14 -1.84 0.00 -1.26 -4.98 107.32 101.21 2hfv s GLY 61 Ca 0.00 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.08 2hfv s GLY 61 CO 0.00 0.70 1.69 1.76 0.00 0.00 0.00 173.10 177.24 2hfv h SER 62 N 8.29 0.59 -3.85 1.64 0.02 -1.94 -3.35 113.55 114.95 2hfv h SER 62 Ca -0.30 -0.17 -0.63 0.00 -0.84 0.00 0.00 61.79 59.85 2hfv h SER 62 Cb 1.13 -0.15 -0.41 0.00 0.14 0.00 0.00 62.40 63.11 2hfv h SER 62 CO 0.61 0.60 -0.67 -0.22 -1.14 0.00 0.00 176.83 176.02 2hfv s LEU 63 N -9.79 3.77 0.17 5.07 2.96 -1.26 -4.72 118.68 114.89 2hfv s LEU 63 Ca -0.13 -3.01 -0.10 0.00 -0.22 0.00 0.00 54.13 50.66 2hfv s LEU 63 Cb 0.10 -1.41 -0.07 0.00 0.50 0.00 0.00 46.19 45.32 2hfv s LEU 63 CO 0.76 -0.22 0.51 -0.83 -1.32 0.00 0.00 176.35 175.25 2hfv s GLY 64 N -0.24 2.34 -0.68 7.98 0.00 -1.26 -5.05 107.32 110.41 2hfv s GLY 64 Ca 0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.55 2hfv s GLY 64 CO -0.03 -0.09 0.55 0.14 0.00 0.00 0.00 173.10 173.67 2hfv s VAL 65 N -1.64 4.52 -0.42 1.40 1.01 -1.26 -4.83 120.40 119.18 2hfv s VAL 65 Ca 0.42 -2.60 -0.14 0.00 0.00 0.00 0.00 61.98 59.66 2hfv s VAL 65 Cb -0.13 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2hfv s VAL 65 CO 0.20 -0.92 0.30 -0.63 0.00 0.00 0.00 175.10 174.05 2hfv s ILE 66 N 0.24 5.07 -0.27 2.22 -1.09 -1.24 -5.05 121.20 121.08 2hfv s ILE 66 Ca 0.16 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.47 2hfv s ILE 66 Cb -0.17 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2hfv s ILE 66 CO -0.05 -0.36 1.80 -2.16 -1.23 0.00 0.00 174.94 172.94 2hfv s PRO 67 N 1.63 3.47 -0.10 2.79 0.04 -1.26 -4.83 135.00 136.74 2hfv s PRO 67 Ca 0.04 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.63 2hfv s PRO 67 Cb -0.20 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 2hfv s PRO 67 CO 0.08 -1.70 0.13 0.50 0.04 0.00 0.00 177.00 176.05 2hfv s ARG 68 N 5.43 3.38 0.05 4.56 6.06 -0.75 -4.88 118.95 132.81 2hfv s ARG 68 Ca 0.80 -0.19 0.06 0.00 -2.50 0.00 0.00 55.73 53.90 2hfv s ARG 68 Cb -0.25 -3.13 -0.04 0.00 0.06 0.00 0.00 34.95 31.60 2hfv s ARG 68 CO 0.33 0.76 -0.12 -0.98 -2.50 0.00 0.00 175.30 172.79 2hfv s ARG 69 N -1.13 2.21 -0.26 5.12 1.70 -1.26 -1.96 118.95 123.36 2hfv s ARG 69 Ca 0.16 -0.93 -0.05 0.00 -0.47 0.00 0.00 55.73 54.44 2hfv s ARG 69 Cb -0.12 -2.31 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 2hfv s ARG 69 CO 0.06 0.54 0.03 0.08 -1.08 0.00 0.00 175.30 174.93 2hfv s VAL 70 N -1.05 3.69 -0.13 4.99 1.01 -0.10 -4.66 120.40 124.15 2hfv s VAL 70 Ca 0.18 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2hfv s VAL 70 Cb -0.11 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2hfv s VAL 70 CO 0.09 0.21 0.08 -0.76 0.00 0.00 0.00 175.10 174.72 2hfv s LEU 71 N 1.48 4.03 0.51 3.92 1.02 -1.20 -0.37 118.68 128.07 2hfv s LEU 71 Ca 0.03 0.29 0.04 0.00 0.02 0.00 0.00 54.13 54.51 2hfv s LEU 71 Cb -0.16 -1.97 -0.00 0.00 0.02 0.00 0.00 46.19 44.07 2hfv s LEU 71 CO 0.00 0.35 0.19 0.68 0.02 0.00 0.00 176.35 177.59 2hfv s VAL 72 N -0.66 1.56 0.09 -1.59 -7.23 -1.10 -0.64 120.40 110.84 2hfv s VAL 72 Ca 0.12 -1.75 -0.31 0.00 -1.81 0.00 0.00 61.98 58.23 2hfv s VAL 72 Cb -0.12 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.44 2hfv s VAL 72 CO 0.02 0.00 1.37 -1.00 -0.31 0.00 0.00 175.10 175.18 2hfv s HIS 73 N -2.79 3.21 0.37 2.82 3.76 -1.26 -3.89 115.29 117.51 2hfv s HIS 73 Ca 0.23 0.97 0.06 0.00 -0.15 0.00 0.00 55.06 56.18 2hfv s HIS 73 Cb 0.01 -3.65 0.77 0.00 1.11 0.00 0.00 32.58 30.81 2hfv s HIS 73 CO 0.14 -2.27 1.97 1.05 -0.85 0.00 0.00 174.74 174.78 2hfv h GLU 74 N 6.95 0.70 0.00 1.40 4.11 -1.92 -0.01 114.58 125.82 2hfv h GLU 74 Ca -0.42 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2hfv h GLU 74 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2hfv h GLU 74 CO 0.86 0.46 0.00 -0.44 0.07 0.00 0.00 179.01 179.97 2hfv h ASP 75 N 0.72 0.00 -0.32 3.06 3.32 -1.95 -2.81 116.42 118.45 2hfv h ASP 75 Ca 0.30 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 2hfv h ASP 75 Cb 0.24 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 2hfv h ASP 75 CO -0.09 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.76 2hfv n ASP 76 N -2.60 3.39 -0.11 6.45 2.03 -0.04 -4.71 116.55 120.96 2hfv n ASP 76 Ca 0.03 -3.30 -0.05 0.00 0.52 0.00 0.00 54.79 51.99 2hfv n ASP 76 Cb 0.34 -0.59 0.01 0.00 -0.72 0.00 0.00 41.12 40.16 2hfv n ASP 76 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2hfv h LEU 77 N 1.48 -0.51 -1.18 -2.67 7.12 -1.22 -0.54 115.31 117.79 2hfv h LEU 77 Ca 0.10 0.13 -0.08 0.00 0.13 0.00 0.00 57.88 58.16 2hfv h LEU 77 Cb 1.57 0.30 -0.01 0.00 -0.53 0.00 0.00 40.66 41.99 2hfv h LEU 77 CO 0.31 -0.18 -0.38 0.00 -0.13 0.00 0.00 178.44 178.06 2hfv h ALA 78 N 1.26 1.21 0.24 1.25 0.00 -1.87 -3.03 119.26 118.32 2hfv h ALA 78 Ca 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2hfv h ALA 78 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hfv h ALA 78 CO -0.43 0.48 -0.12 0.78 0.00 0.00 0.00 179.25 179.96 2hfv h GLY 79 N 1.44 -0.34 1.01 0.00 0.00 -1.48 -2.72 103.07 100.99 2hfv h GLY 79 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2hfv h GLY 79 CO 0.05 -0.12 0.45 0.00 0.00 0.00 0.00 176.54 176.91 2hfv h ALA 80 N -0.72 0.89 -0.18 3.60 0.00 -1.38 -2.31 119.26 119.16 2hfv h ALA 80 Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2hfv h ALA 80 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hfv h ALA 80 CO 0.05 0.34 -0.28 0.07 0.00 0.00 0.00 179.25 179.43 2hfv h ARG 81 N 0.95 0.34 -0.63 0.00 0.11 -1.65 -2.55 114.38 110.95 2hfv h ARG 81 Ca 0.26 -0.13 -0.03 0.00 0.10 0.00 0.00 59.98 60.18 2hfv h ARG 81 Cb -0.08 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 30.95 2hfv h ARG 81 CO -0.05 0.59 0.27 -0.09 0.10 0.00 0.00 179.97 180.79 2hfv h ARG 82 N 0.30 0.94 -0.36 0.08 2.43 -1.09 0.78 114.38 117.46 2hfv h ARG 82 Ca 0.04 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 2hfv h ARG 82 Cb 0.65 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2hfv h ARG 82 CO 0.05 0.78 0.19 1.25 -1.51 0.00 0.00 179.97 180.72 2hfv h LEU 83 N 0.88 0.28 -0.98 3.80 5.85 -1.06 0.12 115.31 124.19 2hfv h LEU 83 Ca 0.21 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 2hfv h LEU 83 Cb 0.18 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2hfv h LEU 83 CO -0.02 0.21 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.84 2hfv h LEU 84 N 0.38 0.25 -0.55 2.25 3.38 -1.17 -1.72 115.31 118.14 2hfv h LEU 84 Ca 0.15 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2hfv h LEU 84 Cb 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2hfv h LEU 84 CO -0.09 0.62 -0.47 0.74 0.09 0.00 0.00 178.44 179.32 2hfv h THR 85 N 0.21 1.30 -0.41 0.22 2.02 -0.15 -0.50 112.91 115.60 2hfv h THR 85 Ca 0.02 -1.67 -0.14 0.00 0.77 0.00 0.00 66.41 65.39 2hfv h THR 85 Cb 0.77 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2hfv h THR 85 CO 0.06 0.53 -0.29 -0.78 0.37 0.00 0.00 175.52 175.41 2hfv h ASP 86 N 0.50 0.96 0.36 4.18 3.58 -0.56 -2.79 116.42 122.66 2hfv h ASP 86 Ca 0.03 -0.43 -0.08 0.00 0.42 0.00 0.00 57.03 56.97 2hfv h ASP 86 Cb 1.01 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2hfv h ASP 86 CO 0.09 1.19 -0.37 0.00 -2.88 0.00 0.00 179.24 177.28 2hfv h ALA 87 N 0.80 1.37 0.00 -0.78 0.00 -1.22 -3.47 119.26 115.96 2hfv h ALA 87 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2hfv h ALA 87 Cb 0.87 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2hfv h ALA 87 CO 0.08 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2hfv n GLY 88 N -0.45 1.33 0.00 0.00 0.00 -0.23 -4.91 105.19 100.93 2hfv n GLY 88 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2hfv n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hfv n LEU 89 N 0.00 0.00 -4.56 0.99 4.77 -1.05 -4.59 117.00 112.56 2hfv n LEU 89 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2hfv n LEU 89 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2hfv n LEU 89 CO 0.00 0.00 1.41 0.00 -1.33 0.00 0.00 177.39 177.47 2hfv s ALA 90 N -2.00 2.30 0.00 -1.18 0.00 -0.98 -4.31 121.76 115.60 2hfv s ALA 90 Ca 0.37 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2hfv s ALA 90 Cb 0.17 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.78 2hfv s ALA 90 CO 0.28 -4.04 0.00 1.58 0.00 0.00 0.00 175.76 173.58 2hfv n HIS 91 N 10.98 -0.00 0.18 0.00 -0.00 -1.26 -4.86 115.22 120.26 2hfv n HIS 91 Ca 0.33 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.96 2hfv n HIS 91 Cb 0.49 0.02 0.07 0.00 -0.00 0.00 0.00 29.99 30.57 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 -1.53 1.50 -1.90 1.57 4.71 -1.26 -4.95 120.64 118.77 2hfv n GLU 92 Ca 0.00 -1.11 -0.39 0.00 -0.01 0.00 0.00 57.16 55.65 2hfv n GLU 92 Cb 0.00 -1.45 0.02 0.00 -1.01 0.00 0.00 31.44 29.00 2hfv n GLU 92 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2hfv s LEU 93 N -1.21 3.98 0.35 -4.62 1.02 -1.26 -4.22 118.68 112.72 2hfv s LEU 93 Ca 0.21 2.71 0.03 0.00 0.02 0.00 0.00 54.13 57.10 2hfv s LEU 93 Cb 0.18 -4.14 -0.05 0.00 0.02 0.00 0.00 46.19 42.20 2hfv s LEU 93 CO 0.04 -1.28 0.09 -0.60 0.02 0.00 0.00 176.35 174.62 2hfv s ARG 94 N -2.68 1.74 -0.15 1.70 6.06 0.96 -4.95 118.95 121.62 2hfv s ARG 94 Ca 0.66 -2.01 -0.06 0.00 -2.50 0.00 0.00 55.73 51.83 2hfv s ARG 94 Cb -0.39 -0.71 0.07 0.00 0.06 0.00 0.00 34.95 33.98 2hfv s ARG 94 CO 0.48 -0.31 0.33 -1.12 -2.50 0.00 0.00 175.30 172.17 2hfv s SER 95 N -3.52 0.04 -0.78 -2.12 0.01 -1.26 -4.68 113.70 101.39 2hfv s SER 95 Ca 0.31 0.75 -0.11 0.00 1.31 0.00 0.00 55.95 58.21 2hfv s SER 95 Cb 0.06 0.91 0.20 0.00 0.21 0.00 0.00 66.02 67.41 2hfv s SER 95 CO 0.15 -0.23 0.68 -0.62 0.41 0.00 0.00 173.24 173.63 2hfv s ASP 96 N 2.33 6.37 0.00 2.44 2.15 -1.26 -5.08 116.67 123.62 2hfv s ASP 96 Ca -0.01 -2.73 0.00 0.00 0.43 0.00 0.00 52.55 50.23 2hfv s ASP 96 Cb -0.12 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2hfv s ASP 96 CO -0.10 -0.52 0.00 -0.90 -0.17 0.00 0.00 175.17 173.48