#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 -0.81 3.57 3.03 0.00 -1.26 -4.97 105.19 104.75 2hfv n GLY 2 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.01 5.66 -0.10 1.61 0.01 -1.26 -4.96 113.70 114.65 2hfv s SER 3 Ca 0.00 0.70 0.04 0.00 1.31 0.00 0.00 55.95 57.99 2hfv s SER 3 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2hfv s SER 3 CO 0.00 -2.00 -0.24 -0.94 0.41 0.00 0.00 173.24 170.47 2hfv s SER 4 N 6.67 3.07 0.00 2.44 1.04 -1.26 -4.94 113.70 120.72 2hfv s SER 4 Ca 0.69 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.57 2hfv s SER 4 Cb -0.16 -1.40 0.02 0.00 0.10 0.00 0.00 66.02 64.58 2hfv s SER 4 CO 0.26 0.15 0.83 0.00 0.98 0.00 0.00 173.24 175.47 2hfv n HIS 5 N 3.58 0.00 -3.81 5.02 -0.00 -1.26 -5.07 115.22 113.67 2hfv n HIS 5 Ca -0.19 -0.03 -0.36 0.00 -0.00 0.00 0.00 57.72 57.13 2hfv n HIS 5 Cb 0.53 0.06 -0.13 0.00 -0.00 0.00 0.00 29.99 30.45 2hfv n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2hfv s HIS 6 N 0.00 3.09 -0.13 -1.40 0.09 -1.26 -5.06 115.29 110.61 2hfv s HIS 6 Ca 0.01 -0.94 -0.01 0.00 -0.00 0.00 0.00 55.06 54.12 2hfv s HIS 6 Cb 0.02 -2.20 0.04 0.00 -0.00 0.00 0.00 32.58 30.44 2hfv s HIS 6 CO -0.01 -0.55 -0.02 -3.38 -0.00 0.00 0.00 174.74 170.79 2hfv s HIS 7 N 1.50 1.14 -0.06 1.40 0.00 -1.26 -5.13 115.29 112.87 2hfv s HIS 7 Ca 0.04 -0.64 -0.03 0.00 -3.00 0.00 0.00 55.06 51.43 2hfv s HIS 7 Cb -0.16 -1.05 0.04 0.00 -4.00 0.00 0.00 32.58 27.41 2hfv s HIS 7 CO 0.01 -0.49 0.13 -1.58 -1.00 0.00 0.00 174.74 171.81 2hfv s HIS 8 N 1.82 -0.13 -0.25 0.38 5.65 -1.26 -5.13 115.29 116.37 2hfv s HIS 8 Ca 0.03 0.47 -0.33 0.00 0.25 0.00 0.00 55.06 55.48 2hfv s HIS 8 Cb -0.14 -0.18 0.16 0.00 -1.18 0.00 0.00 32.58 31.24 2hfv s HIS 8 CO -0.07 -0.19 1.28 -3.38 -0.65 0.00 0.00 174.74 171.73 2hfv s HIS 9 N 1.56 -0.09 -0.40 3.88 0.00 -1.26 -5.12 115.29 113.85 2hfv s HIS 9 Ca -0.05 0.12 0.05 0.00 -3.00 0.00 0.00 55.06 52.18 2hfv s HIS 9 Cb -0.12 0.50 0.17 0.00 -4.00 0.00 0.00 32.58 29.13 2hfv s HIS 9 CO -0.05 -0.11 0.50 -1.01 -1.00 0.00 0.00 174.74 173.06 2hfv s HIS 10 N -1.62 -0.91 0.34 0.38 0.09 -1.26 -5.15 115.29 107.17 2hfv s HIS 10 Ca 0.08 -0.44 -0.26 0.00 -0.00 0.00 0.00 55.06 54.44 2hfv s HIS 10 Cb -0.01 -0.09 -0.09 0.00 -0.00 0.00 0.00 32.58 32.39 2hfv s HIS 10 CO -0.05 -1.07 1.06 -1.54 -0.00 0.00 0.00 174.74 173.15 2hfv s SER 11 N 1.50 7.00 -0.32 1.40 1.04 -1.26 -5.03 113.70 118.04 2hfv s SER 11 Ca 0.18 2.13 -0.00 0.00 0.48 0.00 0.00 55.95 58.74 2hfv s SER 11 Cb -0.09 -2.60 0.13 0.00 0.10 0.00 0.00 66.02 63.56 2hfv s SER 11 CO -0.05 -0.32 0.27 -0.44 0.98 0.00 0.00 173.24 173.68 2hfv s SER 12 N -1.27 2.15 -0.30 7.02 0.01 -1.26 -5.11 113.70 114.95 2hfv s SER 12 Ca 0.52 -1.27 -0.17 0.00 1.31 0.00 0.00 55.95 56.34 2hfv s SER 12 Cb -0.26 0.20 0.20 0.00 0.21 0.00 0.00 66.02 66.37 2hfv s SER 12 CO 0.33 -0.36 1.24 -0.83 0.41 0.00 0.00 173.24 174.03 2hfv s GLY 13 N 1.90 0.49 0.00 3.44 0.00 -1.26 -5.05 107.32 106.84 2hfv s GLY 13 Ca 0.12 3.73 0.00 0.00 0.00 0.00 0.00 44.72 48.57 2hfv s GLY 13 CO -0.22 2.91 0.00 -2.13 0.00 0.00 0.00 173.10 173.66 2hfv n ARG 14 N 3.51 0.00 -2.85 2.90 0.63 -1.26 -5.08 116.66 114.51 2hfv n ARG 14 Ca -0.15 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.37 2hfv n ARG 14 Cb 0.56 -0.22 -0.04 0.00 0.45 0.00 0.00 32.46 33.21 2hfv n ARG 14 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2hfv s GLU 15 N -1.00 4.36 -0.42 -0.14 2.12 -1.26 -4.96 118.70 117.40 2hfv s GLU 15 Ca 0.00 1.12 0.08 0.00 0.36 0.00 0.00 54.97 56.53 2hfv s GLU 15 Cb 0.00 -3.54 0.29 0.00 0.26 0.00 0.00 34.13 31.14 2hfv s GLU 15 CO 0.00 -0.26 0.79 0.27 -0.54 0.00 0.00 175.26 175.52 2hfv n ASN 16 N 4.91 -0.91 -4.54 -1.70 6.94 -1.26 -5.10 115.26 113.60 2hfv n ASN 16 Ca 0.05 -3.13 -0.40 0.00 -0.02 0.00 0.00 54.58 51.07 2hfv n ASN 16 Cb 0.49 0.49 -0.10 0.00 -2.36 0.00 0.00 39.78 38.30 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 -1.63 4.41 -1.25 -4.53 1.02 -1.26 -5.00 118.68 110.45 2hfv s LEU 17 Ca 0.33 -0.30 -0.20 0.00 0.02 0.00 0.00 54.13 53.98 2hfv s LEU 17 Cb 0.26 -2.18 0.03 0.00 0.02 0.00 0.00 46.19 44.31 2hfv s LEU 17 CO -0.12 -0.22 1.77 -0.31 0.02 0.00 0.00 176.35 177.49 2hfv s TYR 18 N 1.79 2.54 -0.45 0.29 2.02 -1.26 -4.79 117.35 117.49 2hfv s TYR 18 Ca 0.08 -1.02 0.03 0.00 -0.37 0.00 0.00 57.07 55.79 2hfv s TYR 18 Cb -0.17 -4.55 0.16 0.00 -0.40 0.00 0.00 41.96 36.99 2hfv s TYR 18 CO 0.11 -1.67 0.32 -0.06 -1.57 0.00 0.00 175.55 172.68 2hfv s PHE 19 N 6.07 1.61 -0.35 2.71 0.40 -1.26 -4.91 117.98 122.25 2hfv s PHE 19 Ca 0.57 -2.39 0.23 0.00 -0.60 0.00 0.00 56.93 54.74 2hfv s PHE 19 Cb 0.02 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 2hfv s PHE 19 CO 0.08 -0.77 0.93 0.00 0.70 0.00 0.00 175.22 176.15 2hfv n GLN 20 N 3.05 0.48 -1.72 0.44 0.00 -1.26 -3.75 117.38 114.62 2hfv n GLN 20 Ca 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 57.00 57.16 2hfv n GLN 20 Cb 0.41 -1.67 0.01 0.00 0.00 0.00 0.00 30.24 28.99 2hfv n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hfv n GLY 21 N 1.27 2.38 1.01 2.61 0.00 -1.26 -4.72 105.19 106.49 2hfv n GLY 21 Ca -0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2hfv n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hfv n HIS 22 N -1.09 -1.76 -4.42 1.61 -0.00 -1.26 -4.19 115.22 104.10 2hfv n HIS 22 Ca 0.02 1.05 -0.31 0.00 -0.00 0.00 0.00 57.72 58.48 2hfv n HIS 22 Cb 0.15 -2.57 -0.11 0.00 -0.00 0.00 0.00 29.99 27.46 2hfv n HIS 22 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2hfv s LEU 23 N -0.30 3.01 0.02 0.27 1.02 -1.26 -2.95 118.68 118.49 2hfv s LEU 23 Ca 0.00 -0.29 0.05 0.00 0.02 0.00 0.00 54.13 53.91 2hfv s LEU 23 Cb 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2hfv s LEU 23 CO 0.00 0.24 -0.13 -0.13 0.02 0.00 0.00 176.35 176.35 2hfv s ARG 24 N -1.70 2.32 -0.43 1.70 0.52 -0.52 -4.92 118.95 115.92 2hfv s ARG 24 Ca 0.18 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 2hfv s ARG 24 Cb -0.11 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.04 2hfv s ARG 24 CO 0.09 0.57 1.29 -2.00 0.02 0.00 0.00 175.30 175.28 2hfv s GLU 25 N -1.39 3.67 -0.13 3.54 2.12 -1.26 -2.15 118.70 123.10 2hfv s GLU 25 Ca 0.16 0.82 -0.21 0.00 0.36 0.00 0.00 54.97 56.09 2hfv s GLU 25 Cb -0.11 -3.96 -0.19 0.00 0.26 0.00 0.00 34.13 30.13 2hfv s GLU 25 CO 0.06 -1.45 0.57 1.25 -0.54 0.00 0.00 175.26 175.16 2hfv h LEU 26 N 11.68 -0.00 -7.37 2.70 7.12 -1.12 -3.40 115.31 124.91 2hfv h LEU 26 Ca -0.25 -0.74 -0.10 0.00 0.13 0.00 0.00 57.88 56.92 2hfv h LEU 26 Cb 1.09 0.00 -0.19 0.00 -0.53 0.00 0.00 40.66 41.02 2hfv h LEU 26 CO 1.10 0.87 -0.14 -1.48 -0.13 0.00 0.00 178.44 178.65 2hfv s LEU 27 N -8.31 0.43 -0.09 2.25 2.34 -1.23 -1.17 118.68 112.91 2hfv s LEU 27 Ca -0.14 0.22 -0.01 0.00 0.06 0.00 0.00 54.13 54.26 2hfv s LEU 27 Cb -0.02 1.63 0.03 0.00 -0.56 0.00 0.00 46.19 47.27 2hfv s LEU 27 CO 0.51 -0.52 -0.04 0.00 -1.06 0.00 0.00 176.35 175.24 2hfv s ARG 28 N -1.47 1.07 0.40 1.48 1.70 -1.24 -0.80 118.95 120.09 2hfv s ARG 28 Ca -0.12 -0.09 0.08 0.00 -0.47 0.00 0.00 55.73 55.12 2hfv s ARG 28 Cb -0.03 -1.24 -0.07 0.00 -0.57 0.00 0.00 34.95 33.03 2hfv s ARG 28 CO 0.05 -0.25 0.01 -0.08 -1.08 0.00 0.00 175.30 173.95 2hfv s THR 29 N 1.68 2.10 -0.33 4.99 -1.32 0.54 -4.89 115.64 118.42 2hfv s THR 29 Ca 0.02 -2.01 0.03 0.00 -1.21 0.00 0.00 61.69 58.53 2hfv s THR 29 Cb -0.13 -2.93 0.08 0.00 -1.51 0.00 0.00 72.50 68.02 2hfv s THR 29 CO -0.05 -0.04 0.99 -0.46 -2.21 0.00 0.00 174.62 172.84 2hfv n ASN 30 N -0.96 2.09 -4.74 8.08 6.94 -1.26 0.01 115.26 125.42 2hfv n ASN 30 Ca -0.05 -1.83 -0.34 0.00 -0.02 0.00 0.00 54.58 52.35 2hfv n ASN 30 Cb 0.66 -0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.94 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2hfv s ASP 31 N -0.86 5.50 -0.00 0.53 -1.08 -1.26 -4.98 116.67 114.53 2hfv s ASP 31 Ca 0.07 0.16 0.19 0.00 -0.52 0.00 0.00 52.55 52.45 2hfv s ASP 31 Cb 0.04 -1.58 -0.20 0.00 -1.46 0.00 0.00 42.92 39.72 2hfv s ASP 31 CO 0.05 0.33 0.59 0.00 0.52 0.00 0.00 175.17 176.67 2hfv n ALA 32 N 1.70 2.15 0.09 3.66 0.00 -1.26 -4.02 120.51 122.84 2hfv n ALA 32 Ca -0.16 -0.67 -0.16 0.00 0.00 0.00 0.00 53.44 52.44 2hfv n ALA 32 Cb 0.53 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 2hfv n ALA 32 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hfv h VAL 33 N 0.00 1.41 -0.43 0.00 2.07 -2.00 -3.00 116.25 114.29 2hfv h VAL 33 Ca -0.18 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 64.63 2hfv h VAL 33 Cb 1.50 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.94 2hfv h VAL 33 CO 0.02 0.80 0.22 0.25 0.02 0.00 0.00 177.57 178.88 2hfv h LEU 34 N 0.17 0.53 -1.20 2.57 5.85 -2.01 -1.87 115.31 119.35 2hfv h LEU 34 Ca -0.13 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2hfv h LEU 34 Cb 1.82 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 2hfv h LEU 34 CO 0.20 0.44 0.10 -0.07 -0.34 0.00 0.00 178.44 178.77 2hfv h LEU 35 N 0.60 0.61 -1.31 2.25 3.38 -1.66 0.07 115.31 119.25 2hfv h LEU 35 Ca 0.15 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2hfv h LEU 35 Cb 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2hfv h LEU 35 CO -0.02 0.61 -0.32 0.28 0.09 0.00 0.00 178.44 179.08 2hfv h SER 36 N 0.64 0.00 0.00 -0.43 0.02 -1.27 0.52 113.55 113.03 2hfv h SER 36 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2hfv h SER 36 Cb 0.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 2hfv h SER 36 CO -0.00 0.32 -0.14 0.00 -1.14 0.00 0.00 176.83 175.86 2hfv h ALA 37 N 1.68 0.03 -0.27 3.77 0.00 -1.05 -3.11 119.26 120.32 2hfv h ALA 37 Ca -0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2hfv h ALA 37 Cb 0.66 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2hfv h ALA 37 CO 0.04 0.08 -0.15 -0.24 0.00 0.00 0.00 179.25 178.99 2hfv h VAL 38 N -1.00 1.23 -0.16 0.00 3.04 -1.03 -2.99 116.25 115.35 2hfv h VAL 38 Ca -0.04 -1.05 -0.01 0.00 -1.01 0.00 0.00 66.70 64.60 2hfv h VAL 38 Cb 0.93 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2hfv h VAL 38 CO -0.02 0.34 0.06 1.23 -1.01 0.00 0.00 177.57 178.17 2hfv h GLY 39 N 0.93 0.25 2.00 3.17 0.00 -1.01 -1.49 103.07 106.92 2hfv h GLY 39 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2hfv h GLY 39 CO 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 176.54 176.66 2hfv h ALA 40 N 0.91 1.45 0.05 3.60 0.00 -1.45 0.26 119.26 124.07 2hfv h ALA 40 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2hfv h ALA 40 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2hfv h ALA 40 CO -0.00 0.06 -0.03 -0.07 0.00 0.00 0.00 179.25 179.21 2hfv h LEU 41 N 0.00 -0.06 -0.07 0.00 3.38 -1.32 -2.58 115.31 114.66 2hfv h LEU 41 Ca -0.00 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 2hfv h LEU 41 Cb 0.12 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2hfv h LEU 41 CO 0.01 0.64 0.03 -0.07 0.09 0.00 0.00 178.44 179.14 2hfv h LEU 42 N -0.85 0.09 -1.79 1.67 3.38 -0.74 -2.61 115.31 114.46 2hfv h LEU 42 Ca -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2hfv h LEU 42 Cb 0.65 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2hfv h LEU 42 CO 0.01 0.23 -0.15 0.44 0.09 0.00 0.00 178.44 179.07 2hfv h ASP 43 N -0.05 0.00 1.25 -0.43 3.32 -0.66 -0.21 116.42 119.64 2hfv h ASP 43 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2hfv h ASP 43 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2hfv h ASP 43 CO -0.00 0.15 0.00 1.23 -1.72 0.00 0.00 179.24 178.90 2hfv h GLY 44 N 0.57 0.00 -0.89 2.75 0.00 -1.09 -3.13 103.07 101.29 2hfv h GLY 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hfv h GLY 44 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2hfv n ALA 45 N -2.01 2.44 -0.94 3.60 0.00 -0.40 -4.95 120.51 118.24 2hfv n ALA 45 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.64 2hfv n ALA 45 Cb 0.36 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.42 -3.15 -4.61 0.00 2.03 -0.95 -4.94 116.55 104.51 2hfv n ASP 46 Ca 0.14 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.02 2hfv n ASP 46 Cb 0.60 -1.59 -0.02 0.00 -0.72 0.00 0.00 41.12 39.38 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 -1.88 3.71 0.18 5.18 1.01 -0.23 -4.95 121.20 124.23 2hfv s ILE 47 Ca 0.00 0.76 -0.31 0.00 0.00 0.00 0.00 60.65 61.10 2hfv s ILE 47 Cb 0.00 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 2hfv s ILE 47 CO 0.00 -0.46 1.54 -0.83 0.00 0.00 0.00 174.94 175.18 2hfv s GLY 48 N 4.63 1.72 0.02 6.18 0.00 -1.26 -4.31 107.32 114.31 2hfv s GLY 48 Ca 0.70 1.35 0.01 0.00 0.00 0.00 0.00 44.72 46.79 2hfv s GLY 48 CO 0.31 2.55 -0.04 -2.38 0.00 0.00 0.00 173.10 173.54 2hfv s HIS 49 N 0.93 0.36 -0.05 1.90 -3.43 -1.26 -4.50 115.29 109.24 2hfv s HIS 49 Ca 0.68 -0.39 -0.01 0.00 -0.80 0.00 0.00 55.06 54.54 2hfv s HIS 49 Cb -0.43 -0.23 -0.00 0.00 -1.43 0.00 0.00 32.58 30.48 2hfv s HIS 49 CO 0.33 -0.11 -0.02 -0.07 -2.00 0.00 0.00 174.74 172.88 2hfv h LEU 50 N 4.99 0.00 -2.44 5.38 3.38 -1.85 -3.49 115.31 121.29 2hfv h LEU 50 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2hfv h LEU 50 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2hfv h LEU 50 CO 0.43 0.23 -0.35 0.52 0.09 0.00 0.00 178.44 179.36 2hfv n VAL 51 N -3.16 -9.14 -3.16 1.22 0.31 -1.19 -5.00 118.33 98.21 2hfv n VAL 51 Ca -0.01 0.61 0.00 0.00 -0.01 0.00 0.00 64.34 64.94 2hfv n VAL 51 Cb 0.03 -6.59 0.00 0.00 -0.91 0.00 0.00 33.84 26.37 2hfv n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hfv n LEU 52 N -0.48 0.00 0.00 7.52 -0.00 -0.99 -4.93 117.00 118.11 2hfv n LEU 52 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 2hfv n LEU 52 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2hfv n LEU 52 CO 0.38 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 177.10 2hfv n ASP 53 N -0.28 0.00 -4.35 1.45 -0.08 -1.26 0.61 116.55 112.63 2hfv n ASP 53 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2hfv n ASP 53 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2hfv s GLN 54 N 0.00 2.81 -0.12 -0.67 -0.44 -1.26 -5.04 119.66 114.94 2hfv s GLN 54 Ca 0.00 -1.27 -0.29 0.00 -2.50 0.00 0.00 55.36 51.30 2hfv s GLN 54 Cb 0.00 -3.88 -0.03 0.00 -1.64 0.00 0.00 33.01 27.46 2hfv s GLN 54 CO 0.00 -0.87 1.32 -0.80 0.50 0.00 0.00 175.29 175.44 2hfv s ASN 55 N 2.02 6.91 -0.29 6.67 -0.87 -1.26 -4.92 114.94 123.20 2hfv s ASN 55 Ca 0.03 1.83 -0.36 0.00 -1.57 0.00 0.00 52.86 52.79 2hfv s ASN 55 Cb -0.22 -2.54 -0.12 0.00 -0.02 0.00 0.00 41.25 38.35 2hfv s ASN 55 CO 0.06 -0.75 2.07 1.15 -2.57 0.00 0.00 177.10 177.05 2hfv n MET 56 N 6.33 1.28 -0.02 -0.60 0.00 -1.26 -4.82 117.12 118.03 2hfv n MET 56 Ca 0.14 0.40 -0.04 0.00 0.00 0.00 0.00 57.70 58.19 2hfv n MET 56 Cb 0.45 -2.45 -0.01 0.00 0.00 0.00 0.00 33.22 31.21 2hfv n MET 56 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2hfv n SER 57 N 8.64 1.37 0.00 3.17 7.64 -1.26 -4.99 113.62 128.19 2hfv n SER 57 Ca 0.36 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2hfv n SER 57 Cb 0.23 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 -3.83 0.00 0.02 0.44 -0.00 -1.26 -4.99 119.36 109.74 2hfv n ILE 58 Ca -0.07 0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.99 2hfv n ILE 58 Cb 0.24 -1.20 0.00 0.00 -0.00 0.00 0.00 39.64 38.68 2hfv n ILE 58 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2hfv n LEU 59 N -1.92 0.35 -4.75 1.39 7.94 -1.26 -5.09 117.00 113.66 2hfv n LEU 59 Ca 0.00 0.06 -0.22 0.00 -1.11 0.00 0.00 56.01 54.74 2hfv n LEU 59 Cb 0.00 -0.09 -0.06 0.00 0.53 0.00 0.00 43.42 43.80 2hfv n LEU 59 CO 0.00 -0.30 -0.23 -0.70 -1.11 0.00 0.00 177.39 175.05 2hfv s GLU 60 N -2.00 2.67 0.00 1.96 -6.30 -1.26 -4.92 118.70 108.85 2hfv s GLU 60 Ca 0.00 -1.21 0.00 0.00 -2.50 0.00 0.00 54.97 51.26 2hfv s GLU 60 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 34.13 31.73 2hfv s GLU 60 CO 0.00 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.07 2hfv n GLY 61 N -1.07 0.00 0.00 -1.50 0.00 -1.26 -4.23 105.19 97.14 2hfv n GLY 61 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2hfv n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hfv n SER 62 N 0.00 0.01 -0.04 1.61 3.41 -1.26 -4.73 113.62 112.63 2hfv n SER 62 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 2hfv n SER 62 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 2hfv n SER 62 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2hfv h LEU 63 N 0.00 0.72 0.00 1.04 4.07 -1.97 -3.46 115.31 115.72 2hfv h LEU 63 Ca 0.00 -0.61 -0.38 0.00 0.08 0.00 0.00 57.88 56.97 2hfv h LEU 63 Cb 0.00 -0.21 0.16 0.00 1.08 0.00 0.00 40.66 41.70 2hfv h LEU 63 CO 0.00 1.22 0.28 0.61 -1.08 0.00 0.00 178.44 179.47 2hfv n GLY 64 N 0.63 -1.91 3.36 0.83 0.00 -1.26 -4.99 105.19 101.84 2hfv n GLY 64 Ca -0.07 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.33 5.24 -0.27 1.61 1.01 -1.26 -5.00 120.40 118.41 2hfv s VAL 65 Ca 0.66 -1.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 2hfv s VAL 65 Cb -0.03 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2hfv s VAL 65 CO 0.48 -1.12 0.52 -0.63 0.00 0.00 0.00 175.10 174.36 2hfv s ILE 66 N 1.33 5.06 1.06 2.22 1.09 -1.26 -5.07 121.20 125.63 2hfv s ILE 66 Ca 0.17 0.84 -0.12 0.00 -1.10 0.00 0.00 60.65 60.45 2hfv s ILE 66 Cb -0.15 -3.85 0.23 0.00 -1.06 0.00 0.00 42.46 37.63 2hfv s ILE 66 CO -0.04 0.05 1.06 -2.16 -0.10 0.00 0.00 174.94 173.75 2hfv s PRO 67 N 2.34 -0.12 -0.10 2.79 0.04 -1.26 -4.95 135.00 133.73 2hfv s PRO 67 Ca 0.21 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2hfv s PRO 67 Cb -0.16 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.76 2hfv s PRO 67 CO 0.10 -3.20 -0.08 1.03 0.04 0.00 0.00 177.00 174.88 2hfv s ARG 68 N -4.64 1.46 -0.09 4.56 1.81 0.10 -4.31 118.95 117.85 2hfv s ARG 68 Ca 0.67 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 2hfv s ARG 68 Cb -0.23 -1.47 -0.02 0.00 -0.45 0.00 0.00 34.95 32.78 2hfv s ARG 68 CO 0.61 -0.20 -0.11 -0.98 -0.68 0.00 0.00 175.30 173.94 2hfv s ARG 69 N 1.47 2.91 -0.34 3.54 1.70 0.20 -0.34 118.95 128.10 2hfv s ARG 69 Ca 0.00 -0.64 -0.08 0.00 -0.47 0.00 0.00 55.73 54.54 2hfv s ARG 69 Cb -0.13 -2.55 0.02 0.00 -0.57 0.00 0.00 34.95 31.72 2hfv s ARG 69 CO -0.05 0.49 0.14 0.08 -1.08 0.00 0.00 175.30 174.88 2hfv s VAL 70 N -0.37 4.18 -0.10 4.99 1.01 0.02 -2.36 120.40 127.78 2hfv s VAL 70 Ca 0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2hfv s VAL 70 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2hfv s VAL 70 CO 0.02 -0.12 0.05 -0.76 0.00 0.00 0.00 175.10 174.29 2hfv s LEU 71 N 1.50 3.85 0.28 3.92 1.02 -1.26 -0.46 118.68 127.53 2hfv s LEU 71 Ca 0.01 0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.44 2hfv s LEU 71 Cb -0.19 -1.90 -0.06 0.00 0.02 0.00 0.00 46.19 44.06 2hfv s LEU 71 CO 0.04 0.38 0.05 0.68 0.02 0.00 0.00 176.35 177.53 2hfv s VAL 72 N -0.91 1.02 0.64 -1.59 -7.23 -0.91 -2.98 120.40 108.44 2hfv s VAL 72 Ca 0.14 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 2hfv s VAL 72 Cb -0.12 -2.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 2hfv s VAL 72 CO 0.03 -0.09 1.00 -1.00 -0.31 0.00 0.00 175.10 174.73 2hfv s HIS 73 N -3.43 3.39 0.56 2.82 3.76 -1.26 -1.44 115.29 119.70 2hfv s HIS 73 Ca 0.35 0.97 0.25 0.00 -0.15 0.00 0.00 55.06 56.47 2hfv s HIS 73 Cb 0.08 -2.84 1.61 0.00 1.11 0.00 0.00 32.58 32.54 2hfv s HIS 73 CO 0.13 -0.90 2.19 0.93 -0.85 0.00 0.00 174.74 176.25 2hfv h GLU 74 N -0.37 0.00 -0.67 1.40 4.39 -1.70 -2.95 114.58 114.68 2hfv h GLU 74 Ca -0.45 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.32 2hfv h GLU 74 Cb 1.24 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.78 2hfv h GLU 74 CO 0.62 0.00 -0.54 -0.44 -1.16 0.00 0.00 179.01 177.49 2hfv h ASP 75 N 0.00 -1.89 -0.50 1.42 5.19 -1.86 -2.67 116.42 116.11 2hfv h ASP 75 Ca 0.02 0.28 -0.35 0.00 -0.62 0.00 0.00 57.03 56.36 2hfv h ASP 75 Cb 0.09 0.82 -0.24 0.00 0.18 0.00 0.00 39.33 40.18 2hfv h ASP 75 CO -0.00 -0.33 -0.44 -0.67 -3.12 0.00 0.00 179.24 174.68 2hfv n ASP 76 N -5.34 3.85 0.23 6.45 2.03 -1.17 -4.74 116.55 117.86 2hfv n ASP 76 Ca -0.00 -3.80 -0.15 0.00 0.52 0.00 0.00 54.79 51.35 2hfv n ASP 76 Cb 0.32 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 40.13 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 1.62 -0.47 -1.13 -2.67 7.12 -1.30 0.20 115.31 118.68 2hfv h LEU 77 Ca 0.27 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 58.21 2hfv h LEU 77 Cb 1.37 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.61 2hfv h LEU 77 CO 0.57 -0.32 -0.42 0.00 -0.13 0.00 0.00 178.44 178.14 2hfv h ALA 78 N 0.10 1.28 -0.03 1.25 0.00 -1.85 -2.08 119.26 117.92 2hfv h ALA 78 Ca -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2hfv h ALA 78 Cb 0.41 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2hfv h ALA 78 CO 0.07 0.54 -0.01 0.78 0.00 0.00 0.00 179.25 180.63 2hfv h GLY 79 N 1.26 0.08 1.11 0.00 0.00 -1.78 -0.24 103.07 103.51 2hfv h GLY 79 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2hfv h GLY 79 CO 0.06 0.06 0.14 0.00 0.00 0.00 0.00 176.54 176.79 2hfv h ALA 80 N 0.63 0.97 -0.30 3.60 0.00 -0.58 0.11 119.26 123.68 2hfv h ALA 80 Ca 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2hfv h ALA 80 Cb 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2hfv h ALA 80 CO 0.00 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.02 2hfv h ARG 81 N 1.03 0.24 -0.01 0.00 3.08 -1.32 -1.17 114.38 116.23 2hfv h ARG 81 Ca 0.21 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.26 2hfv h ARG 81 Cb 0.40 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2hfv h ARG 81 CO 0.01 0.16 -0.07 -0.09 -1.07 0.00 0.00 179.97 178.91 2hfv h ARG 82 N 0.25 -0.11 0.12 0.04 9.65 -0.64 -1.48 114.38 122.21 2hfv h ARG 82 Ca 0.13 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2hfv h ARG 82 Cb 0.09 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 2hfv h ARG 82 CO -0.13 -0.07 -0.12 1.25 2.80 0.00 0.00 179.97 183.69 2hfv h LEU 83 N -0.11 -0.33 -0.87 3.80 5.85 -0.70 0.19 115.31 123.13 2hfv h LEU 83 Ca 0.03 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 2hfv h LEU 83 Cb 0.15 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2hfv h LEU 83 CO -0.08 -0.19 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.36 2hfv h LEU 84 N -0.27 0.35 -0.33 2.25 4.07 -1.21 0.62 115.31 120.78 2hfv h LEU 84 Ca 0.01 -0.15 -0.20 0.00 0.08 0.00 0.00 57.88 57.62 2hfv h LEU 84 Cb 0.26 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 2hfv h LEU 84 CO -0.04 0.72 -0.73 0.74 -1.08 0.00 0.00 178.44 178.05 2hfv h THR 85 N 0.28 1.34 -0.02 0.22 2.02 -0.99 -2.97 112.91 112.79 2hfv h THR 85 Ca 0.03 -2.06 -0.18 0.00 0.77 0.00 0.00 66.41 64.97 2hfv h THR 85 Cb 0.83 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2hfv h THR 85 CO 0.07 0.63 -0.77 -0.78 0.37 0.00 0.00 175.52 175.03 2hfv h ASP 86 N 0.37 0.26 -0.47 4.18 1.82 -0.42 -3.26 116.42 118.90 2hfv h ASP 86 Ca -0.03 -0.19 -0.02 0.00 -0.39 0.00 0.00 57.03 56.40 2hfv h ASP 86 Cb 1.32 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.23 2hfv h ASP 86 CO 0.14 0.94 0.23 0.00 -1.61 0.00 0.00 179.24 178.93 2hfv h ALA 87 N 1.05 0.60 0.00 -0.78 0.00 -0.83 -3.48 119.26 115.83 2hfv h ALA 87 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2hfv h ALA 87 Cb 1.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2hfv h ALA 87 CO 0.12 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.94 2hfv n GLY 88 N -0.91 2.64 0.00 0.00 0.00 -1.13 -5.05 105.19 100.74 2hfv n GLY 88 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.23 -4.81 117.00 107.73 2hfv n LEU 89 Ca 0.00 0.71 -0.37 0.00 -0.00 0.00 0.00 56.01 56.36 2hfv n LEU 89 Cb 0.00 -0.21 -0.06 0.00 -0.00 0.00 0.00 43.42 43.15 2hfv n LEU 89 CO 0.00 -0.21 -0.11 0.00 -0.00 0.00 0.00 177.39 177.07 2hfv n ALA 90 N -1.36 -1.19 0.00 1.47 0.00 -1.18 -4.68 120.51 113.56 2hfv n ALA 90 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2hfv n ALA 90 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 -4.00 0.00 0.46 0.00 -0.00 -1.26 -4.76 115.22 105.66 2hfv n HIS 91 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.92 2hfv n HIS 91 Cb 0.47 0.21 0.44 0.00 -0.00 0.00 0.00 29.99 31.11 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 -2.39 0.14 -1.86 1.57 4.71 -1.26 -4.63 120.64 116.92 2hfv n GLU 92 Ca 0.00 0.35 -0.31 0.00 -0.01 0.00 0.00 57.16 57.18 2hfv n GLU 92 Cb 0.18 -1.75 -0.04 0.00 -1.01 0.00 0.00 31.44 28.81 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 -4.04 3.22 -0.30 -4.62 1.02 -1.26 -3.71 118.68 108.99 2hfv s LEU 93 Ca 0.06 0.21 -0.21 0.00 0.02 0.00 0.00 54.13 54.21 2hfv s LEU 93 Cb 0.10 -2.53 0.20 0.00 0.02 0.00 0.00 46.19 43.98 2hfv s LEU 93 CO 0.38 -2.82 1.36 -0.60 0.02 0.00 0.00 176.35 174.69 2hfv s ARG 94 N 7.60 0.05 0.00 1.70 3.52 -0.31 -4.93 118.95 126.58 2hfv s ARG 94 Ca 0.79 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 2hfv s ARG 94 Cb -0.12 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 2hfv s ARG 94 CO 0.15 -0.01 0.00 0.43 -0.81 0.00 0.00 175.30 175.06 2hfv n SER 95 N 2.29 0.00 -0.05 -2.12 7.64 -1.26 -3.61 113.62 116.51 2hfv n SER 95 Ca -0.14 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.81 2hfv n SER 95 Cb 0.57 0.35 0.35 0.00 -1.01 0.00 0.00 64.21 64.46 2hfv n SER 95 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2hfv n ASP 96 N -2.22 0.14 0.00 6.43 2.03 -1.26 -5.12 116.55 116.55 2hfv n ASP 96 Ca 0.00 -1.64 0.00 0.00 0.52 0.00 0.00 54.79 53.67 2hfv n ASP 96 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61