#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 -0.84 0.28 -5.12 0.00 -1.26 -5.01 105.19 93.24 2hfv n GLY 2 Ca 0.00 0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.49 2hfv n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hfv n SER 3 N -0.06 1.13 -3.85 1.61 3.41 -1.26 -4.69 113.62 109.91 2hfv n SER 3 Ca -0.15 -0.98 -0.42 0.00 -0.26 0.00 0.00 58.87 57.06 2hfv n SER 3 Cb 0.71 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.78 2hfv n SER 3 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2hfv n SER 4 N -0.53 3.52 -3.58 4.04 3.41 -1.26 -4.76 113.62 114.46 2hfv n SER 4 Ca 0.13 -2.79 -0.01 0.00 -0.26 0.00 0.00 58.87 55.94 2hfv n SER 4 Cb 0.36 -1.50 -0.04 0.00 -0.26 0.00 0.00 64.21 62.76 2hfv n SER 4 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2hfv s HIS 5 N 4.41 -1.10 0.00 7.33 0.00 -1.26 -5.13 115.29 119.54 2hfv s HIS 5 Ca 0.53 1.93 0.00 0.00 -3.00 0.00 0.00 55.06 54.51 2hfv s HIS 5 Cb 0.12 0.66 0.00 0.00 -4.00 0.00 0.00 32.58 29.36 2hfv s HIS 5 CO 0.01 -0.54 0.00 0.72 -1.00 0.00 0.00 174.74 173.93 2hfv n HIS 6 N 5.15 0.00 -2.21 0.38 -0.00 -1.26 -5.00 115.22 112.27 2hfv n HIS 6 Ca -0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.42 2hfv n HIS 6 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.48 2hfv n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2hfv n HIS 7 N 0.00 -0.72 -3.87 4.41 -0.00 -1.26 -4.95 115.22 108.83 2hfv n HIS 7 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2hfv n HIS 7 Cb 0.00 -3.49 -0.13 0.00 -0.00 0.00 0.00 29.99 26.37 2hfv n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2hfv s HIS 8 N -2.86 3.43 -0.29 1.57 0.09 -1.26 -5.04 115.29 110.93 2hfv s HIS 8 Ca 0.00 -2.17 -0.14 0.00 -0.00 0.00 0.00 55.06 52.75 2hfv s HIS 8 Cb 0.00 -2.60 0.10 0.00 -0.00 0.00 0.00 32.58 30.08 2hfv s HIS 8 CO 0.00 -0.88 0.70 -3.38 -0.00 0.00 0.00 174.74 171.18 2hfv s HIS 9 N 1.18 -1.12 -0.49 1.40 0.00 -1.26 -5.09 115.29 109.92 2hfv s HIS 9 Ca 0.01 2.12 0.06 0.00 -3.00 0.00 0.00 55.06 54.25 2hfv s HIS 9 Cb -0.21 0.67 0.24 0.00 -4.00 0.00 0.00 32.58 29.28 2hfv s HIS 9 CO -0.03 -0.55 0.90 1.58 -1.00 0.00 0.00 174.74 175.63 2hfv n HIS 10 N 4.65 -3.31 -3.31 0.38 -0.00 -1.26 -5.10 115.22 107.27 2hfv n HIS 10 Ca -0.17 -1.73 -0.45 0.00 0.46 0.00 0.00 57.72 55.83 2hfv n HIS 10 Cb 0.56 1.56 -0.06 0.00 -0.12 0.00 0.00 29.99 31.93 2hfv n HIS 10 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2hfv s SER 11 N -1.65 6.18 -0.42 0.26 1.04 -1.26 -4.95 113.70 112.89 2hfv s SER 11 Ca 0.32 -1.63 0.05 0.00 0.48 0.00 0.00 55.95 55.17 2hfv s SER 11 Cb 0.23 -2.21 0.17 0.00 0.10 0.00 0.00 66.02 64.30 2hfv s SER 11 CO -0.25 -0.83 0.51 -0.44 0.98 0.00 0.00 173.24 173.21 2hfv s SER 12 N 3.35 0.01 -0.22 7.02 0.01 -1.26 -4.99 113.70 117.62 2hfv s SER 12 Ca 0.04 -1.67 0.18 0.00 1.31 0.00 0.00 55.95 55.81 2hfv s SER 12 Cb -0.28 1.03 0.47 0.00 0.21 0.00 0.00 66.02 67.45 2hfv s SER 12 CO 0.04 -0.18 1.15 0.61 0.41 0.00 0.00 173.24 175.28 2hfv n GLY 13 N 3.76 3.23 2.21 3.44 0.00 -1.26 -4.83 105.19 111.74 2hfv n GLY 13 Ca 0.16 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.49 2.54 -2.80 1.61 1.74 -1.26 -4.95 116.66 113.05 2hfv n ARG 14 Ca 0.18 -3.24 -0.42 0.00 -0.77 0.00 0.00 57.85 53.59 2hfv n ARG 14 Cb 0.89 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 2hfv n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2hfv s GLU 15 N -3.60 3.93 -0.37 5.56 -1.05 -1.26 -4.91 118.70 117.00 2hfv s GLU 15 Ca 0.60 0.71 -0.03 0.00 -0.15 0.00 0.00 54.97 56.10 2hfv s GLU 15 Cb 0.49 -3.77 0.19 0.00 -0.44 0.00 0.00 34.13 30.61 2hfv s GLU 15 CO 0.03 -0.86 0.95 1.21 0.95 0.00 0.00 175.26 177.54 2hfv s ASN 16 N 1.75 -0.67 -0.29 0.83 3.84 -1.26 -5.13 114.94 114.00 2hfv s ASN 16 Ca 0.38 -0.53 0.01 0.00 0.21 0.00 0.00 52.86 52.93 2hfv s ASN 16 Cb -0.13 0.87 0.19 0.00 -0.55 0.00 0.00 41.25 41.64 2hfv s ASN 16 CO 0.16 -0.05 0.58 -0.22 -2.79 0.00 0.00 177.10 174.78 2hfv s LEU 17 N 1.52 -1.41 -0.34 3.21 1.98 -1.26 -5.12 118.68 117.26 2hfv s LEU 17 Ca 0.19 0.62 0.06 0.00 -2.89 0.00 0.00 54.13 52.12 2hfv s LEU 17 Cb 0.04 2.05 0.18 0.00 0.66 0.00 0.00 46.19 49.13 2hfv s LEU 17 CO -0.11 -0.28 0.56 -0.47 -1.89 0.00 0.00 176.35 174.17 2hfv s TYR 18 N 2.83 -1.56 -0.50 5.38 5.04 -1.26 -5.07 117.35 122.21 2hfv s TYR 18 Ca 0.17 0.49 -0.17 0.00 -2.44 0.00 0.00 57.07 55.12 2hfv s TYR 18 Cb -0.14 0.19 0.07 0.00 0.35 0.00 0.00 41.96 42.43 2hfv s TYR 18 CO -0.22 -1.10 0.52 -0.06 -1.34 0.00 0.00 175.55 173.35 2hfv s PHE 19 N 2.28 3.14 0.01 4.97 0.08 -1.26 -5.01 117.98 122.19 2hfv s PHE 19 Ca 0.13 -0.76 -0.18 0.00 0.12 0.00 0.00 56.93 56.24 2hfv s PHE 19 Cb -0.08 -3.40 -0.06 0.00 -0.57 0.00 0.00 43.02 38.90 2hfv s PHE 19 CO -0.17 -0.94 0.52 -1.14 -0.10 0.00 0.00 175.22 173.39 2hfv s GLN 20 N 2.15 4.19 0.00 0.44 0.74 -1.26 -2.29 119.66 123.63 2hfv s GLN 20 Ca 0.10 0.62 0.00 0.00 0.05 0.00 0.00 55.36 56.12 2hfv s GLN 20 Cb -0.22 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.60 2hfv s GLN 20 CO 0.09 0.51 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 2hfv n GLY 21 N 2.17 -0.95 0.04 2.59 0.00 -1.26 -5.03 105.19 102.74 2hfv n GLY 21 Ca -0.10 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.16 -1.64 1.61 8.25 -1.26 -4.97 115.22 117.05 2hfv n HIS 22 Ca 0.00 -0.03 -0.45 0.00 -0.26 0.00 0.00 57.72 56.98 2hfv n HIS 22 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 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 0.00 3.63 -4.61 2.41 4.77 -1.26 -4.41 117.00 117.52 2hfv n LEU 23 Ca 0.00 0.72 -0.34 0.00 -0.03 0.00 0.00 56.01 56.35 2hfv n LEU 23 Cb 0.01 -1.47 -0.10 0.00 -2.33 0.00 0.00 43.42 39.52 2hfv n LEU 23 CO 0.00 -0.14 -0.29 -0.13 -1.33 0.00 0.00 177.39 175.50 2hfv s ARG 24 N 4.95 3.60 -0.46 3.23 1.81 -1.17 -4.95 118.95 125.96 2hfv s ARG 24 Ca 0.94 -0.41 -0.29 0.00 -1.72 0.00 0.00 55.73 54.26 2hfv s ARG 24 Cb -0.51 -3.01 0.03 0.00 -0.45 0.00 0.00 34.95 31.01 2hfv s ARG 24 CO 0.44 0.40 1.12 -2.00 -0.68 0.00 0.00 175.30 174.57 2hfv s GLU 25 N -0.02 3.75 -0.15 3.54 2.12 -1.26 -1.79 118.70 124.88 2hfv s GLU 25 Ca 0.04 0.59 -0.15 0.00 0.36 0.00 0.00 54.97 55.81 2hfv s GLU 25 Cb -0.13 -3.89 -0.12 0.00 0.26 0.00 0.00 34.13 30.25 2hfv s GLU 25 CO 0.02 -1.33 0.21 1.25 -0.54 0.00 0.00 175.26 174.87 2hfv h LEU 26 N 11.08 0.00 -7.94 2.70 7.12 -1.14 -3.45 115.31 123.68 2hfv h LEU 26 Ca -0.23 -0.38 -0.14 0.00 0.13 0.00 0.00 57.88 57.26 2hfv h LEU 26 Cb 1.06 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 41.01 2hfv h LEU 26 CO 1.11 0.92 -0.58 -1.48 -0.13 0.00 0.00 178.44 178.29 2hfv s LEU 27 N -8.23 1.96 -0.02 2.25 2.34 -1.21 -1.61 118.68 114.16 2hfv s LEU 27 Ca -0.15 -0.55 0.00 0.00 0.06 0.00 0.00 54.13 53.49 2hfv s LEU 27 Cb 0.01 0.45 0.03 0.00 -0.56 0.00 0.00 46.19 46.12 2hfv s LEU 27 CO 0.37 -0.46 0.03 -0.60 -1.06 0.00 0.00 176.35 174.63 2hfv s ARG 28 N -2.41 -0.03 0.19 1.48 3.00 -1.07 -1.12 118.95 118.98 2hfv s ARG 28 Ca -0.07 0.17 -0.23 0.00 -1.00 0.00 0.00 55.73 54.61 2hfv s ARG 28 Cb -0.03 -0.23 0.07 0.00 0.00 0.00 0.00 34.95 34.76 2hfv s ARG 28 CO -0.04 -0.16 0.99 -0.08 0.00 0.00 0.00 175.30 176.02 2hfv s THR 29 N 0.99 0.00 -0.06 4.11 -1.32 -1.24 -4.88 115.64 113.25 2hfv s THR 29 Ca -0.08 -0.64 0.01 0.00 -1.21 0.00 0.00 61.69 59.76 2hfv s THR 29 Cb -0.12 -2.55 0.01 0.00 -1.51 0.00 0.00 72.50 68.33 2hfv s THR 29 CO -0.03 0.00 0.72 0.59 -2.21 0.00 0.00 174.62 173.69 2hfv n ASN 30 N -0.95 1.45 -4.55 8.08 5.03 -1.26 -3.64 115.26 119.42 2hfv n ASN 30 Ca -0.05 -1.42 -0.43 0.00 0.87 0.00 0.00 54.58 53.55 2hfv n ASN 30 Cb 0.60 -0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.31 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2hfv s ASP 31 N -0.43 6.43 0.32 6.41 2.15 -1.26 -4.91 116.67 125.38 2hfv s ASP 31 Ca 0.01 -0.08 0.02 0.00 0.43 0.00 0.00 52.55 52.93 2hfv s ASP 31 Cb 0.01 -2.44 0.55 0.00 -0.30 0.00 0.00 42.92 40.73 2hfv s ASP 31 CO 0.01 -1.13 1.90 0.00 -0.17 0.00 0.00 175.17 175.78 2hfv h ALA 32 N 9.18 1.37 0.18 3.66 0.00 -1.98 -1.43 119.26 130.23 2hfv h ALA 32 Ca -0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2hfv h ALA 32 Cb 1.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2hfv h ALA 32 CO 1.05 0.46 -0.09 0.28 0.00 0.00 0.00 179.25 180.96 2hfv h VAL 33 N 0.72 0.87 -0.57 0.00 2.07 -2.00 -0.53 116.25 116.81 2hfv h VAL 33 Ca 0.17 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2hfv h VAL 33 Cb 0.18 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2hfv h VAL 33 CO -0.01 0.05 0.15 0.25 0.02 0.00 0.00 177.57 178.03 2hfv h LEU 34 N -0.34 0.86 -1.11 2.57 5.85 -1.94 -2.14 115.31 119.05 2hfv h LEU 34 Ca -0.02 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2hfv h LEU 34 Cb 0.27 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2hfv h LEU 34 CO 0.04 0.86 0.60 -0.07 -0.34 0.00 0.00 178.44 179.53 2hfv h LEU 35 N 0.82 1.01 -0.70 2.25 3.38 -1.13 0.13 115.31 121.08 2hfv h LEU 35 Ca 0.18 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2hfv h LEU 35 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2hfv h LEU 35 CO 0.00 0.71 -0.06 0.28 0.09 0.00 0.00 178.44 179.46 2hfv h SER 36 N 1.19 0.93 -0.23 -0.43 0.02 -0.74 -0.01 113.55 114.28 2hfv h SER 36 Ca 0.35 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2hfv h SER 36 Cb -0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 2hfv h SER 36 CO -0.09 1.02 0.03 0.00 -1.14 0.00 0.00 176.83 176.65 2hfv h ALA 37 N 1.07 0.31 -0.66 3.77 0.00 -0.70 -1.52 119.26 121.53 2hfv h ALA 37 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2hfv h ALA 37 Cb 0.59 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2hfv h ALA 37 CO 0.04 -0.00 0.43 0.28 0.00 0.00 0.00 179.25 179.99 2hfv h VAL 38 N 0.19 1.14 -0.65 0.00 2.07 -0.83 -0.28 116.25 117.90 2hfv h VAL 38 Ca 0.07 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2hfv h VAL 38 Cb 0.33 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2hfv h VAL 38 CO 0.01 0.16 0.42 1.23 0.02 0.00 0.00 177.57 179.40 2hfv h GLY 39 N 0.87 0.93 1.44 2.17 0.00 -0.85 0.15 103.07 107.78 2hfv h GLY 39 Ca 0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 2hfv h GLY 39 CO -0.07 0.29 -0.06 0.00 0.00 0.00 0.00 176.54 176.70 2hfv h ALA 40 N 1.26 1.14 0.17 3.60 0.00 -0.75 0.94 119.26 125.63 2hfv h ALA 40 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hfv h ALA 40 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2hfv h ALA 40 CO -0.08 0.54 -0.08 -0.07 0.00 0.00 0.00 179.25 179.56 2hfv h LEU 41 N 0.63 -0.19 -0.99 0.00 3.38 -0.45 0.34 115.31 118.03 2hfv h LEU 41 Ca 0.12 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2hfv h LEU 41 Cb 0.48 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2hfv h LEU 41 CO 0.03 0.10 0.05 -0.07 0.09 0.00 0.00 178.44 178.63 2hfv h LEU 42 N -0.50 0.73 -0.69 1.67 3.38 -0.87 -1.69 115.31 117.35 2hfv h LEU 42 Ca -0.02 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2hfv h LEU 42 Cb 0.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2hfv h LEU 42 CO 0.04 0.77 0.12 -0.78 0.09 0.00 0.00 178.44 178.68 2hfv h ASP 43 N 0.74 1.08 0.80 -0.43 1.82 -0.77 0.16 116.42 119.81 2hfv h ASP 43 Ca 0.15 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2hfv h ASP 43 Cb 0.38 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 2hfv h ASP 43 CO 0.01 1.06 -0.06 1.23 -1.61 0.00 0.00 179.24 179.87 2hfv h GLY 44 N 1.06 0.00 -1.82 -0.78 0.00 -0.17 -1.22 103.07 100.14 2hfv h GLY 44 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2hfv h GLY 44 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2hfv n ALA 45 N -2.14 2.46 -2.41 3.60 0.00 -0.71 -4.96 120.51 116.34 2hfv n ALA 45 Ca -0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 2hfv n ALA 45 Cb 0.30 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 1.26 -5.86 -4.63 0.00 2.03 -0.08 -4.93 116.55 104.34 2hfv n ASP 46 Ca 0.14 -0.01 -0.43 0.00 0.52 0.00 0.00 54.79 55.00 2hfv n ASP 46 Cb 0.55 -4.88 -0.02 0.00 -0.72 0.00 0.00 41.12 36.05 2hfv n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2hfv s ILE 47 N -3.03 4.41 -0.22 5.18 1.01 0.36 -4.95 121.20 123.95 2hfv s ILE 47 Ca 0.01 1.58 -0.30 0.00 0.00 0.00 0.00 60.65 61.94 2hfv s ILE 47 Cb -0.00 -4.44 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 2hfv s ILE 47 CO 0.01 -0.60 2.20 0.61 0.00 0.00 0.00 174.94 177.15 2hfv n GLY 48 N 4.13 0.99 3.04 6.18 0.00 -1.26 -4.67 105.19 113.60 2hfv n GLY 48 Ca 0.12 0.81 -0.21 0.00 0.00 0.00 0.00 46.02 46.75 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 7.84 1.03 0.05 1.61 -3.43 -1.26 -1.04 115.29 120.09 2hfv s HIS 49 Ca 1.02 -0.23 0.05 0.00 -0.80 0.00 0.00 55.06 55.10 2hfv s HIS 49 Cb -0.44 -0.70 -0.04 0.00 -1.43 0.00 0.00 32.58 29.97 2hfv s HIS 49 CO 0.38 -0.06 -0.10 -0.51 -2.00 0.00 0.00 174.74 172.45 2hfv s LEU 50 N -0.04 3.02 0.00 5.38 1.43 0.19 -4.95 118.68 123.70 2hfv s LEU 50 Ca 0.01 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2hfv s LEU 50 Cb -0.07 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2hfv s LEU 50 CO 0.00 0.24 0.00 1.33 0.23 0.00 0.00 176.35 178.15 2hfv n VAL 51 N 1.23 0.00 -4.21 -1.59 0.24 -1.26 -0.30 118.33 112.44 2hfv n VAL 51 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2hfv n VAL 51 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2hfv n VAL 51 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2hfv n LEU 52 N 0.00 0.00 0.02 1.34 4.77 -1.26 -5.00 117.00 116.88 2hfv n LEU 52 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hfv n LEU 52 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hfv n LEU 52 CO 0.00 -0.28 0.00 -0.67 -1.33 0.00 0.00 177.39 175.11 2hfv n ASP 53 N 0.08 -0.43 -3.96 -1.43 -0.08 -1.26 -4.63 116.55 104.83 2hfv n ASP 53 Ca 0.00 0.38 -0.18 0.00 -1.51 0.00 0.00 54.79 53.49 2hfv n ASP 53 Cb 0.00 0.71 -0.15 0.00 2.34 0.00 0.00 41.12 44.02 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2hfv s GLN 54 N -2.00 0.61 0.19 -0.67 -0.21 -1.26 -5.16 119.66 111.15 2hfv s GLN 54 Ca 0.00 -0.21 0.11 0.00 0.02 0.00 0.00 55.36 55.28 2hfv s GLN 54 Cb 0.00 -0.60 -0.04 0.00 1.00 0.00 0.00 33.01 33.36 2hfv s GLN 54 CO 0.00 0.09 -0.23 1.21 -2.12 0.00 0.00 175.29 174.25 2hfv s ASN 55 N 0.09 3.52 -0.19 5.90 2.47 -1.26 -5.02 114.94 120.45 2hfv s ASN 55 Ca -0.01 -0.82 -0.30 0.00 0.42 0.00 0.00 52.86 52.15 2hfv s ASN 55 Cb -0.05 -0.30 0.14 0.00 -1.45 0.00 0.00 41.25 39.59 2hfv s ASN 55 CO -0.00 0.12 1.09 -0.32 -3.72 0.00 0.00 177.10 174.27 2hfv s MET 56 N -2.63 0.45 0.13 0.43 -2.45 -1.26 -5.13 119.30 108.84 2hfv s MET 56 Ca 0.21 0.11 -0.31 0.00 -1.25 0.00 0.00 55.69 54.45 2hfv s MET 56 Cb -0.08 0.21 -0.10 0.00 1.25 0.00 0.00 34.83 36.11 2hfv s MET 56 CO 0.10 -0.14 1.71 -1.12 1.05 0.00 0.00 175.02 176.62 2hfv s SER 57 N -1.08 6.50 0.34 1.11 0.01 -1.26 -4.88 113.70 114.45 2hfv s SER 57 Ca 0.01 2.67 0.21 0.00 1.31 0.00 0.00 55.95 60.14 2hfv s SER 57 Cb -0.01 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 63.84 2hfv s SER 57 CO -0.01 -0.93 1.43 0.40 0.41 0.00 0.00 173.24 174.54 2hfv h ILE 58 N 4.46 0.21 0.00 1.44 1.08 -2.01 -3.48 117.51 119.21 2hfv h ILE 58 Ca -0.44 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.72 2hfv h ILE 58 Cb 1.21 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 2hfv h ILE 58 CO 0.94 0.12 0.00 0.18 -0.69 0.00 0.00 178.15 178.70 2hfv n LEU 59 N -3.04 0.00 0.00 1.44 4.77 -1.26 -3.21 117.00 115.70 2hfv n LEU 59 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2hfv n LEU 59 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2hfv n LEU 59 CO 0.37 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.59 2hfv n GLU 60 N 0.00 0.00 0.00 3.23 0.28 -1.26 -5.14 120.64 117.75 2hfv n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2hfv n GLU 60 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hfv n GLY 61 N -0.25 1.10 3.64 -1.84 0.00 -1.20 -5.18 105.19 101.46 2hfv n GLY 61 Ca 0.00 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 2hfv n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hfv s SER 62 N 0.00 -0.39 -0.38 1.61 0.15 -1.26 -5.13 113.70 108.31 2hfv s SER 62 Ca 0.00 -0.35 -0.26 0.00 0.70 0.00 0.00 55.95 56.05 2hfv s SER 62 Cb 0.00 0.66 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 2hfv s SER 62 CO 0.00 -1.16 0.92 -0.76 1.20 0.00 0.00 173.24 173.44 2hfv s LEU 63 N -2.85 4.00 0.00 3.45 1.02 -1.26 -4.82 118.68 118.23 2hfv s LEU 63 Ca 0.07 0.51 0.00 0.00 0.02 0.00 0.00 54.13 54.73 2hfv s LEU 63 Cb -0.03 -3.24 0.00 0.00 0.02 0.00 0.00 46.19 42.94 2hfv s LEU 63 CO -0.02 -0.87 0.00 0.61 0.02 0.00 0.00 176.35 176.08 2hfv n GLY 64 N 4.46 1.19 3.63 -3.19 0.00 -1.26 -5.13 105.19 104.90 2hfv n GLY 64 Ca 0.07 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 5.18 -0.25 1.61 1.01 -1.26 -5.05 120.40 121.64 2hfv s VAL 65 Ca 0.00 0.63 -0.25 0.00 0.00 0.00 0.00 61.98 62.36 2hfv s VAL 65 Cb 0.00 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2hfv s VAL 65 CO 0.00 0.19 0.86 -0.63 0.00 0.00 0.00 175.10 175.52 2hfv s ILE 66 N 1.78 4.80 -0.45 2.22 1.09 -1.26 -4.98 121.20 124.40 2hfv s ILE 66 Ca 0.17 1.58 -0.27 0.00 -1.10 0.00 0.00 60.65 61.03 2hfv s ILE 66 Cb -0.15 -4.15 -0.06 0.00 -1.06 0.00 0.00 42.46 37.04 2hfv s ILE 66 CO 0.09 -0.12 2.27 -2.84 -0.10 0.00 0.00 174.94 174.24 2hfv s PRO 67 N 2.93 2.41 -0.34 2.79 0.02 -1.26 -4.93 135.00 136.61 2hfv s PRO 67 Ca 0.36 1.41 -0.09 0.00 0.02 0.00 0.00 61.00 62.69 2hfv s PRO 67 Cb -0.15 -4.50 0.02 0.00 0.02 0.00 0.00 34.50 29.88 2hfv s PRO 67 CO 0.08 -2.94 0.16 0.50 -0.33 0.00 0.00 177.00 174.47 2hfv s ARG 68 N 7.64 2.99 0.25 5.54 3.52 -1.24 -4.76 118.95 132.90 2hfv s ARG 68 Ca 0.93 -0.95 0.10 0.00 -0.13 0.00 0.00 55.73 55.68 2hfv s ARG 68 Cb -0.19 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2hfv s ARG 68 CO 0.27 -0.57 -0.08 -0.98 -0.81 0.00 0.00 175.30 173.13 2hfv s ARG 69 N 1.55 2.06 -0.25 5.12 3.03 -1.26 -3.59 118.95 125.61 2hfv s ARG 69 Ca 0.02 -1.50 -0.06 0.00 2.03 0.00 0.00 55.73 56.23 2hfv s ARG 69 Cb -0.18 -2.04 -0.01 0.00 -1.03 0.00 0.00 34.95 31.69 2hfv s ARG 69 CO 0.05 0.37 0.03 0.08 -1.13 0.00 0.00 175.30 174.70 2hfv s VAL 70 N -2.26 3.81 -0.14 4.99 1.01 -0.27 -4.08 120.40 123.46 2hfv s VAL 70 Ca 0.30 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2hfv s VAL 70 Cb -0.06 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 2hfv s VAL 70 CO 0.17 0.28 -0.02 -0.76 0.00 0.00 0.00 175.10 174.77 2hfv s LEU 71 N 1.52 3.40 0.06 3.92 1.02 0.59 -0.54 118.68 128.65 2hfv s LEU 71 Ca 0.05 -0.04 -0.13 0.00 0.02 0.00 0.00 54.13 54.03 2hfv s LEU 71 Cb -0.16 -1.81 -0.06 0.00 0.02 0.00 0.00 46.19 44.18 2hfv s LEU 71 CO 0.01 0.22 0.44 0.68 0.02 0.00 0.00 176.35 177.72 2hfv s VAL 72 N 0.05 5.00 -1.37 -1.59 -7.23 -0.74 0.53 120.40 115.05 2hfv s VAL 72 Ca 0.01 0.72 -0.07 0.00 -1.81 0.00 0.00 61.98 60.83 2hfv s VAL 72 Cb -0.13 -3.70 0.09 0.00 0.56 0.00 0.00 36.38 33.19 2hfv s VAL 72 CO 0.02 0.40 2.43 1.57 -0.31 0.00 0.00 175.10 179.22 2hfv n HIS 73 N 1.27 2.61 -3.96 2.82 -0.00 -0.21 -3.04 115.22 114.72 2hfv n HIS 73 Ca -0.10 -2.87 0.00 0.00 0.46 0.00 0.00 57.72 55.21 2hfv n HIS 73 Cb 0.52 -1.97 0.00 0.00 -0.12 0.00 0.00 29.99 28.42 2hfv n HIS 73 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2hfv n GLU 74 N 2.34 0.00 0.00 1.57 4.71 -1.26 -4.74 120.64 123.26 2hfv n GLU 74 Ca 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 2hfv n GLU 74 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.69 2hfv n GLU 74 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2hfv n ASP 75 N -3.21 0.00 -1.76 1.62 -0.08 -0.97 -3.94 116.55 108.21 2hfv n ASP 75 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 2hfv n ASP 75 Cb 0.00 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.51 2hfv n ASP 75 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2hfv n ASP 76 N 1.12 5.34 0.04 1.67 -0.08 -1.26 -4.46 116.55 118.92 2hfv n ASP 76 Ca 0.00 -2.92 -0.11 0.00 -1.51 0.00 0.00 54.79 50.25 2hfv n ASP 76 Cb 0.00 -0.92 -0.05 0.00 2.34 0.00 0.00 41.12 42.49 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 2.01 -0.26 -0.85 -2.67 7.12 -1.95 -1.26 115.31 117.46 2hfv h LEU 77 Ca 0.28 0.04 -0.10 0.00 0.13 0.00 0.00 57.88 58.23 2hfv h LEU 77 Cb 1.24 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.47 2hfv h LEU 77 CO 0.64 -0.13 -0.48 0.00 -0.13 0.00 0.00 178.44 178.34 2hfv h ALA 78 N 0.87 0.98 0.27 1.25 0.00 -1.96 -3.10 119.26 117.56 2hfv h ALA 78 Ca 0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2hfv h ALA 78 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2hfv h ALA 78 CO -0.11 0.60 -0.13 0.78 0.00 0.00 0.00 179.25 180.39 2hfv h GLY 79 N 2.00 -0.38 0.98 0.00 0.00 -1.65 0.42 103.07 104.45 2hfv h GLY 79 Ca -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 2hfv h GLY 79 CO 0.06 -0.14 0.26 0.00 0.00 0.00 0.00 176.54 176.73 2hfv h ALA 80 N 0.27 0.68 -0.83 3.60 0.00 -1.31 0.24 119.26 121.91 2hfv h ALA 80 Ca -0.04 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2hfv h ALA 80 Cb 0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2hfv h ALA 80 CO 0.06 0.23 0.54 0.00 0.00 0.00 0.00 179.25 180.08 2hfv h ARG 81 N 0.71 1.04 -0.02 0.00 3.08 -1.46 -2.19 114.38 115.54 2hfv h ARG 81 Ca 0.18 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2hfv h ARG 81 Cb 0.10 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2hfv h ARG 81 CO -0.02 0.69 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.46 2hfv h ARG 82 N 1.07 0.04 -0.27 0.04 9.65 -0.46 -3.07 114.38 121.37 2hfv h ARG 82 Ca 0.32 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.23 2hfv h ARG 82 Cb -0.04 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 2hfv h ARG 82 CO -0.10 0.47 0.02 1.25 2.80 0.00 0.00 179.97 184.42 2hfv h LEU 83 N -0.40 -0.05 -1.40 3.80 5.85 -0.29 0.96 115.31 123.78 2hfv h LEU 83 Ca 0.00 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2hfv h LEU 83 Cb 0.46 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2hfv h LEU 83 CO 0.00 0.01 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.76 2hfv h LEU 84 N 0.11 0.00 -0.20 2.25 4.07 -1.51 0.85 115.31 120.88 2hfv h LEU 84 Ca 0.13 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.97 2hfv h LEU 84 Cb 0.15 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 2hfv h LEU 84 CO -0.19 0.28 -0.34 0.74 -1.08 0.00 0.00 178.44 177.85 2hfv h THR 85 N 0.00 1.33 -0.82 0.22 2.02 -1.11 -2.80 112.91 111.75 2hfv h THR 85 Ca -0.00 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.59 2hfv h THR 85 Cb 0.60 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 2hfv h THR 85 CO 0.04 0.48 0.36 0.44 0.37 0.00 0.00 175.52 177.21 2hfv h ASP 86 N 0.27 1.10 -0.70 4.18 3.32 -0.31 -2.93 116.42 121.35 2hfv h ASP 86 Ca 0.02 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.96 2hfv h ASP 86 Cb 0.92 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 2hfv h ASP 86 CO 0.08 0.94 0.42 0.00 -1.72 0.00 0.00 179.24 178.96 2hfv h ALA 87 N 1.21 0.92 0.00 3.45 0.00 -0.82 -3.47 119.26 120.56 2hfv h ALA 87 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2hfv h ALA 87 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hfv h ALA 87 CO -0.03 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2hfv n GLY 88 N -1.29 4.50 0.00 0.00 0.00 -1.07 -5.04 105.19 102.29 2hfv n GLY 88 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -4.23 0.99 -0.00 -1.22 -4.86 117.00 107.67 2hfv n LEU 89 Ca 0.00 0.70 -0.34 0.00 -0.00 0.00 0.00 56.01 56.38 2hfv n LEU 89 Cb 0.00 -0.20 -0.05 0.00 -0.00 0.00 0.00 43.42 43.17 2hfv n LEU 89 CO 0.00 -0.20 -0.19 0.00 -0.00 0.00 0.00 177.39 177.00 2hfv n ALA 90 N -1.15 -1.58 0.01 1.47 0.00 -1.14 -4.84 120.51 113.27 2hfv n ALA 90 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 2hfv n ALA 90 Cb 0.00 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.13 2hfv n ALA 90 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hfv n HIS 91 N -4.37 0.00 1.66 0.00 -0.00 -1.26 -4.65 115.22 106.59 2hfv n HIS 91 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.63 2hfv n HIS 91 Cb 0.57 -0.12 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 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 -3.49 0.84 -2.67 1.57 -0.58 -1.26 -4.76 120.64 110.29 2hfv n GLU 92 Ca -0.05 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.26 2hfv n GLU 92 Cb 0.28 -1.01 -0.02 0.00 -0.57 0.00 0.00 31.44 30.12 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 -0.97 4.00 -1.12 -4.62 1.43 -1.26 -2.60 118.68 113.54 2hfv s LEU 93 Ca 0.00 1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 54.15 2hfv s LEU 93 Cb 0.00 -3.51 0.28 0.00 0.03 0.00 0.00 46.19 42.99 2hfv s LEU 93 CO 0.00 -0.78 1.16 -1.14 0.23 0.00 0.00 176.35 175.82 2hfv n ARG 94 N 6.62 3.62 0.17 1.70 0.63 -0.63 -4.85 116.66 123.92 2hfv n ARG 94 Ca 0.11 -4.45 0.04 0.00 -0.92 0.00 0.00 57.85 52.64 2hfv n ARG 94 Cb 0.47 -2.56 0.47 0.00 0.45 0.00 0.00 32.46 31.28 2hfv n ARG 94 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2hfv h SER 95 N 6.55 0.13 0.00 6.15 0.02 -1.89 -3.43 113.55 121.08 2hfv h SER 95 Ca 0.19 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2hfv h SER 95 Cb 0.85 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2hfv h SER 95 CO 1.05 0.25 0.00 -0.67 -1.14 0.00 0.00 176.83 176.33 2hfv n ASP 96 N -4.34 0.00 -0.49 3.07 2.03 -1.26 -5.14 116.55 110.42 2hfv n ASP 96 Ca -0.01 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.44 2hfv n ASP 96 Cb 0.22 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 41.13 2hfv n ASP 96 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75