#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 1.48 3.74 3.03 0.00 -1.26 -5.12 105.19 107.07 2hfv n GLY 2 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2hfv n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hfv s SER 3 N 0.00 4.23 -0.76 1.61 1.04 -1.26 -4.91 113.70 113.65 2hfv s SER 3 Ca 0.00 2.02 -0.26 0.00 0.48 0.00 0.00 55.95 58.19 2hfv s SER 3 Cb 0.00 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.58 2hfv s SER 3 CO 0.00 -2.23 1.53 -0.44 0.98 0.00 0.00 173.24 173.09 2hfv s SER 4 N -2.86 5.87 -0.82 7.02 0.01 -1.26 -4.93 113.70 116.73 2hfv s SER 4 Ca 0.66 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 2hfv s SER 4 Cb -0.21 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.59 2hfv s SER 4 CO 0.52 -2.02 1.02 -1.00 0.41 0.00 0.00 173.24 172.16 2hfv s HIS 5 N 6.96 3.03 -0.34 2.43 4.02 -1.26 -4.97 115.29 125.16 2hfv s HIS 5 Ca 0.49 -1.17 0.03 0.00 1.02 0.00 0.00 55.06 55.43 2hfv s HIS 5 Cb -0.08 -4.23 0.10 0.00 -1.02 0.00 0.00 32.58 27.35 2hfv s HIS 5 CO 0.11 -1.48 0.08 -1.58 1.02 0.00 0.00 174.74 172.89 2hfv s HIS 6 N 2.89 3.22 0.41 1.40 5.65 -1.26 -5.10 115.29 122.50 2hfv s HIS 6 Ca 0.27 -2.71 0.08 0.00 0.25 0.00 0.00 55.06 52.95 2hfv s HIS 6 Cb -0.10 -2.62 -0.04 0.00 -1.18 0.00 0.00 32.58 28.64 2hfv s HIS 6 CO -0.03 -0.92 0.26 -1.01 -0.65 0.00 0.00 174.74 172.40 2hfv s HIS 7 N 1.00 2.67 -0.20 3.88 4.02 -1.26 -5.15 115.29 120.25 2hfv s HIS 7 Ca 0.11 -0.52 -0.11 0.00 1.02 0.00 0.00 55.06 55.56 2hfv s HIS 7 Cb -0.19 -2.02 0.06 0.00 -1.02 0.00 0.00 32.58 29.41 2hfv s HIS 7 CO -0.11 0.07 0.48 -3.38 1.02 0.00 0.00 174.74 172.81 2hfv s HIS 8 N -2.52 -0.70 -0.15 1.40 0.00 -1.26 -5.13 115.29 106.92 2hfv s HIS 8 Ca 0.44 1.48 -0.04 0.00 -3.00 0.00 0.00 55.06 53.94 2hfv s HIS 8 Cb 0.00 0.34 0.07 0.00 -4.00 0.00 0.00 32.58 28.99 2hfv s HIS 8 CO 0.25 -0.38 0.16 -1.58 -1.00 0.00 0.00 174.74 172.19 2hfv s HIS 9 N 1.36 -0.10 -0.36 0.38 5.04 -1.26 -5.12 115.29 115.23 2hfv s HIS 9 Ca -0.09 0.17 -0.11 0.00 -1.54 0.00 0.00 55.06 53.49 2hfv s HIS 9 Cb -0.07 -0.43 0.01 0.00 0.04 0.00 0.00 32.58 32.13 2hfv s HIS 9 CO -0.13 -0.47 0.20 -1.01 -2.34 0.00 0.00 174.74 170.99 2hfv s HIS 10 N 2.26 3.22 -0.19 3.88 0.09 -1.26 -5.03 115.29 118.26 2hfv s HIS 10 Ca 0.04 -0.77 -0.06 0.00 -0.00 0.00 0.00 55.06 54.28 2hfv s HIS 10 Cb -0.15 -2.43 0.09 0.00 -0.00 0.00 0.00 32.58 30.09 2hfv s HIS 10 CO -0.09 -0.57 0.37 -1.12 -0.00 0.00 0.00 174.74 173.33 2hfv s SER 11 N 1.59 0.01 -0.41 1.40 0.01 -1.26 -5.10 113.70 109.95 2hfv s SER 11 Ca 0.03 0.74 0.01 0.00 1.31 0.00 0.00 55.95 58.04 2hfv s SER 11 Cb -0.18 1.14 0.14 0.00 0.21 0.00 0.00 66.02 67.33 2hfv s SER 11 CO 0.07 -0.25 0.24 -0.55 0.41 0.00 0.00 173.24 173.17 2hfv s SER 12 N 2.55 3.19 -0.44 2.44 0.15 -1.26 -4.99 113.70 115.34 2hfv s SER 12 Ca 0.02 -2.52 0.10 0.00 0.70 0.00 0.00 55.95 54.25 2hfv s SER 12 Cb -0.13 -0.73 0.37 0.00 -1.71 0.00 0.00 66.02 63.82 2hfv s SER 12 CO -0.12 -0.27 0.86 0.61 1.20 0.00 0.00 173.24 175.52 2hfv n GLY 13 N 3.64 4.23 3.24 9.45 0.00 -1.26 -5.00 105.19 119.50 2hfv n GLY 13 Ca 0.12 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 2hfv n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hfv n ARG 14 N 0.00 3.40 0.00 1.61 0.00 -1.26 -4.63 116.66 115.78 2hfv n ARG 14 Ca 0.26 -3.61 0.11 0.00 -0.00 0.00 0.00 57.85 54.61 2hfv n ARG 14 Cb 0.59 -3.07 -0.05 0.00 0.00 0.00 0.00 32.46 29.93 2hfv n ARG 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2hfv n GLU 15 N 5.42 0.08 -2.15 -0.14 0.28 -1.26 -4.81 120.64 118.06 2hfv n GLU 15 Ca 0.40 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.16 56.98 2hfv n GLU 15 Cb 0.41 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.74 2hfv n GLU 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2hfv s ASN 16 N -3.22 5.76 0.00 -1.84 2.47 -1.26 -4.81 114.94 112.03 2hfv s ASN 16 Ca 0.07 0.61 0.24 0.00 0.42 0.00 0.00 52.86 54.20 2hfv s ASN 16 Cb 0.16 -2.53 0.26 0.00 -1.45 0.00 0.00 41.25 37.68 2hfv s ASN 16 CO 0.84 -1.94 1.30 0.18 -3.72 0.00 0.00 177.10 173.75 2hfv n LEU 17 N 10.90 3.13 0.00 3.21 4.77 -1.26 -4.97 117.00 132.78 2hfv n LEU 17 Ca 0.18 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2hfv n LEU 17 Cb 0.50 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2hfv n LEU 17 CO 0.70 0.57 0.00 -1.22 -1.33 0.00 0.00 177.39 176.12 2hfv n TYR 18 N 1.39 0.00 -1.93 -1.77 4.01 -1.26 -5.04 117.16 112.56 2hfv n TYR 18 Ca 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.88 2hfv n TYR 18 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 2hfv n TYR 18 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2hfv n PHE 19 N 0.00 -0.99 -3.01 -0.72 3.01 -1.26 -4.99 117.46 109.50 2hfv n PHE 19 Ca 0.00 0.39 -0.44 0.00 1.01 0.00 0.00 57.45 58.41 2hfv n PHE 19 Cb 0.00 -2.29 -0.03 0.00 -0.01 0.00 0.00 39.48 37.15 2hfv n PHE 19 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2hfv s GLN 20 N -2.11 3.42 0.00 -1.08 0.74 -1.26 -4.86 119.66 114.51 2hfv s GLN 20 Ca 0.04 -1.64 0.00 0.00 0.05 0.00 0.00 55.36 53.81 2hfv s GLN 20 Cb -0.01 -4.61 0.00 0.00 1.10 0.00 0.00 33.01 29.49 2hfv s GLN 20 CO 0.23 -1.66 0.00 0.41 -0.55 0.00 0.00 175.29 173.72 2hfv n GLY 21 N 5.20 1.06 0.00 2.59 0.00 -1.26 -5.09 105.19 107.69 2hfv n GLY 21 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.00 -4.19 1.61 -0.00 -1.26 -5.06 115.22 106.32 2hfv n HIS 22 Ca 0.00 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.02 2hfv n HIS 22 Cb 0.00 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 29.73 2hfv n HIS 22 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2hfv s LEU 23 N 0.00 2.10 0.04 0.27 1.43 -1.26 -1.39 118.68 119.86 2hfv s LEU 23 Ca 0.00 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2hfv s LEU 23 Cb 0.00 -0.31 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 2hfv s LEU 23 CO 0.00 -0.00 -0.09 -0.13 0.23 0.00 0.00 176.35 176.35 2hfv s ARG 24 N -0.65 0.61 0.13 1.70 0.52 -1.20 -4.95 118.95 115.11 2hfv s ARG 24 Ca -0.01 -0.71 -0.28 0.00 -0.52 0.00 0.00 55.73 54.21 2hfv s ARG 24 Cb -0.05 -0.48 -0.07 0.00 0.52 0.00 0.00 34.95 34.88 2hfv s ARG 24 CO 0.00 0.10 0.87 -2.00 0.02 0.00 0.00 175.30 174.30 2hfv s GLU 25 N -1.34 4.65 -0.04 3.54 2.12 -1.26 -2.93 118.70 123.45 2hfv s GLU 25 Ca -0.06 1.31 -0.05 0.00 0.36 0.00 0.00 54.97 56.53 2hfv s GLU 25 Cb -0.09 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 2hfv s GLU 25 CO 0.01 0.35 -0.10 1.28 -0.54 0.00 0.00 175.26 176.26 2hfv n LEU 26 N 2.33 0.69 -4.11 2.70 4.32 0.52 -4.50 117.00 118.95 2hfv n LEU 26 Ca -0.01 0.11 -0.15 0.00 -0.02 0.00 0.00 56.01 55.94 2hfv n LEU 26 Cb 0.49 -0.44 -0.05 0.00 -1.62 0.00 0.00 43.42 41.80 2hfv n LEU 26 CO 0.49 -0.47 0.09 -1.48 -1.22 0.00 0.00 177.39 174.80 2hfv s LEU 27 N -6.08 1.04 0.04 2.23 2.34 -1.06 0.69 118.68 117.88 2hfv s LEU 27 Ca -0.08 -1.46 -0.12 0.00 0.06 0.00 0.00 54.13 52.53 2hfv s LEU 27 Cb 0.01 1.33 0.01 0.00 -0.56 0.00 0.00 46.19 46.98 2hfv s LEU 27 CO 0.12 -1.23 0.26 0.00 -1.06 0.00 0.00 176.35 174.43 2hfv s ARG 28 N -3.25 0.74 0.00 1.48 1.70 -1.26 0.29 118.95 118.65 2hfv s ARG 28 Ca 0.31 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 2hfv s ARG 28 Cb 0.00 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2hfv s ARG 28 CO 0.19 -0.22 0.00 -2.37 -1.08 0.00 0.00 175.30 171.82 2hfv n THR 29 N 0.71 0.00 0.30 4.99 5.66 -0.49 -5.00 114.28 120.46 2hfv n THR 29 Ca -0.19 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 60.85 2hfv n THR 29 Cb 0.59 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.40 2hfv n THR 29 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2hfv n ASN 30 N 0.00 1.58 -4.64 1.09 6.94 -1.26 -1.19 115.26 117.79 2hfv n ASN 30 Ca 0.00 -1.29 -0.43 0.00 -0.02 0.00 0.00 54.58 52.84 2hfv n ASN 30 Cb 0.00 0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.41 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 -0.62 6.67 0.39 0.53 -1.08 -1.26 -4.90 116.67 116.40 2hfv s ASP 31 Ca 0.08 1.48 0.07 0.00 -0.52 0.00 0.00 52.55 53.66 2hfv s ASP 31 Cb 0.06 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.78 2hfv s ASP 31 CO 0.09 -1.03 2.00 0.00 0.52 0.00 0.00 175.17 176.75 2hfv h ALA 32 N 9.37 1.60 -0.06 3.66 0.00 -1.98 -0.35 119.26 131.51 2hfv h ALA 32 Ca -0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2hfv h ALA 32 Cb 1.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2hfv h ALA 32 CO 1.01 0.32 -0.16 0.28 0.00 0.00 0.00 179.25 180.69 2hfv h VAL 33 N 0.49 1.44 -0.85 0.00 2.07 -1.99 -1.53 116.25 115.88 2hfv h VAL 33 Ca 0.12 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 2hfv h VAL 33 Cb 0.09 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2hfv h VAL 33 CO -0.01 0.43 0.48 0.25 0.02 0.00 0.00 177.57 178.73 2hfv h LEU 34 N -0.31 1.04 -1.53 2.57 5.85 -1.92 -0.43 115.31 120.58 2hfv h LEU 34 Ca -0.00 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2hfv h LEU 34 Cb 0.78 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2hfv h LEU 34 CO 0.04 0.83 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.66 2hfv h LEU 35 N 1.17 0.00 -0.03 2.25 3.38 -1.04 -0.99 115.31 120.06 2hfv h LEU 35 Ca 0.30 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.01 2hfv h LEU 35 Cb 0.01 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 2hfv h LEU 35 CO -0.05 0.24 -1.04 0.28 0.09 0.00 0.00 178.44 177.96 2hfv h SER 36 N 0.00 0.84 0.31 -0.43 0.02 -0.36 -2.29 113.55 111.63 2hfv h SER 36 Ca -0.00 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.26 2hfv h SER 36 Cb 0.45 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2hfv h SER 36 CO 0.03 1.48 -0.15 0.00 -1.14 0.00 0.00 176.83 177.05 2hfv h ALA 37 N 0.46 -0.41 -0.81 3.77 0.00 -0.65 -0.84 119.26 120.78 2hfv h ALA 37 Ca -0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2hfv h ALA 37 Cb 1.69 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 2hfv h ALA 37 CO 0.20 -0.62 0.50 0.28 0.00 0.00 0.00 179.25 179.61 2hfv h VAL 38 N -0.64 1.22 -0.14 0.00 2.07 -1.32 -2.01 116.25 115.44 2hfv h VAL 38 Ca -0.04 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2hfv h VAL 38 Cb 0.45 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2hfv h VAL 38 CO 0.07 0.22 0.06 1.23 0.02 0.00 0.00 177.57 179.18 2hfv h GLY 39 N 1.12 0.21 1.55 2.17 0.00 -1.29 -2.29 103.07 104.54 2hfv h GLY 39 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 2hfv h GLY 39 CO -0.06 0.10 0.11 0.00 0.00 0.00 0.00 176.54 176.69 2hfv h ALA 40 N 0.93 1.46 0.12 3.60 0.00 -0.84 0.84 119.26 125.36 2hfv h ALA 40 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2hfv h ALA 40 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hfv h ALA 40 CO -0.01 0.40 -0.06 -0.07 0.00 0.00 0.00 179.25 179.52 2hfv h LEU 41 N 0.56 -0.13 -0.32 0.00 3.38 -1.16 0.15 115.31 117.80 2hfv h LEU 41 Ca 0.13 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2hfv h LEU 41 Cb 0.19 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2hfv h LEU 41 CO -0.01 0.12 -0.37 -0.07 0.09 0.00 0.00 178.44 178.21 2hfv h LEU 42 N -0.39 0.87 -0.69 1.67 3.38 -1.20 -2.85 115.31 116.11 2hfv h LEU 42 Ca -0.02 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 2hfv h LEU 42 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2hfv h LEU 42 CO 0.03 1.18 0.03 -0.78 0.09 0.00 0.00 178.44 178.99 2hfv h ASP 43 N 0.58 1.01 0.45 -0.43 3.58 -0.85 0.38 116.42 121.14 2hfv h ASP 43 Ca 0.04 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 2hfv h ASP 43 Cb 0.96 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 2hfv h ASP 43 CO 0.09 1.05 -0.15 1.23 -2.88 0.00 0.00 179.24 178.57 2hfv h GLY 44 N 1.01 0.00 -2.32 -0.78 0.00 -0.62 -1.99 103.07 98.37 2hfv h GLY 44 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 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 -2.29 2.37 -2.44 3.60 0.00 -1.03 -4.95 120.51 115.77 2hfv n ALA 45 Ca -0.02 -1.16 -0.20 0.00 0.00 0.00 0.00 53.44 52.07 2hfv n ALA 45 Cb 0.28 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.41 -5.64 -4.65 0.00 2.03 -0.75 -4.95 116.55 104.01 2hfv n ASP 46 Ca 0.20 -0.05 -0.42 0.00 0.52 0.00 0.00 54.79 55.05 2hfv n ASP 46 Cb 0.58 -4.65 -0.04 0.00 -0.72 0.00 0.00 41.12 36.29 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 -2.99 4.86 -0.31 5.18 1.01 0.08 -4.97 121.20 124.05 2hfv s ILE 47 Ca 0.03 1.56 -0.28 0.00 0.00 0.00 0.00 60.65 61.96 2hfv s ILE 47 Cb -0.01 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2hfv s ILE 47 CO 0.04 -0.03 2.12 -0.83 0.00 0.00 0.00 174.94 176.24 2hfv s GLY 48 N 1.28 0.42 0.29 6.18 0.00 -1.26 -4.58 107.32 109.66 2hfv s GLY 48 Ca 0.35 0.46 0.05 0.00 0.00 0.00 0.00 44.72 45.59 2hfv s GLY 48 CO 0.09 3.70 -0.01 -2.38 0.00 0.00 0.00 173.10 174.50 2hfv s HIS 49 N 8.59 1.94 -0.24 1.90 -3.43 -1.26 -0.49 115.29 122.31 2hfv s HIS 49 Ca 0.93 -0.80 -0.04 0.00 -0.80 0.00 0.00 55.06 54.35 2hfv s HIS 49 Cb -0.27 -1.18 0.08 0.00 -1.43 0.00 0.00 32.58 29.79 2hfv s HIS 49 CO 0.33 0.17 0.10 -1.17 -2.00 0.00 0.00 174.74 172.17 2hfv s LEU 50 N -3.45 0.71 0.00 5.38 2.96 0.21 -4.93 118.68 119.56 2hfv s LEU 50 Ca 0.32 -1.04 0.11 0.00 -0.22 0.00 0.00 54.13 53.30 2hfv s LEU 50 Cb 0.06 -0.39 0.14 0.00 0.50 0.00 0.00 46.19 46.49 2hfv s LEU 50 CO 0.13 -0.39 0.94 1.33 -1.32 0.00 0.00 176.35 177.04 2hfv n VAL 51 N 5.20 0.24 -3.23 1.68 0.24 -1.26 -0.02 118.33 121.18 2hfv n VAL 51 Ca -0.06 -0.62 -0.45 0.00 -2.04 0.00 0.00 64.34 61.17 2hfv n VAL 51 Cb 0.45 1.06 -0.01 0.00 -1.47 0.00 0.00 33.84 33.87 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 -0.93 6.06 -0.05 1.34 2.96 -1.26 -4.22 118.68 122.58 2hfv s LEU 52 Ca 0.15 -3.23 -0.01 0.00 -0.22 0.00 0.00 54.13 50.82 2hfv s LEU 52 Cb 0.10 -2.26 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 2hfv s LEU 52 CO 0.14 -0.48 -0.02 -0.78 -1.32 0.00 0.00 176.35 173.90 2hfv h ASP 53 N 7.08 0.00 -4.94 3.68 3.58 -1.89 -3.49 116.42 120.43 2hfv h ASP 53 Ca 0.20 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.46 2hfv h ASP 53 Cb 0.91 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.75 2hfv h ASP 53 CO 1.03 0.24 -0.71 -1.10 -2.88 0.00 0.00 179.24 175.82 2hfv s GLN 54 N -1.30 0.35 -0.12 0.28 -0.21 -1.26 -5.07 119.66 112.32 2hfv s GLN 54 Ca -0.02 -0.64 -0.01 0.00 0.02 0.00 0.00 55.36 54.72 2hfv s GLN 54 Cb 0.00 0.04 0.03 0.00 1.00 0.00 0.00 33.01 34.08 2hfv s GLN 54 CO 0.02 -0.03 -0.06 1.21 -2.12 0.00 0.00 175.29 174.31 2hfv s ASN 55 N -1.48 2.22 0.41 5.90 2.47 -1.26 -4.73 114.94 118.47 2hfv s ASN 55 Ca -0.15 -0.34 -0.23 0.00 0.42 0.00 0.00 52.86 52.56 2hfv s ASN 55 Cb -0.10 -0.78 -0.09 0.00 -1.45 0.00 0.00 41.25 38.83 2hfv s ASN 55 CO -0.01 -0.15 1.02 -0.32 -3.72 0.00 0.00 177.10 173.92 2hfv s MET 56 N 1.74 4.14 0.69 0.43 -2.45 -1.26 -5.01 119.30 117.59 2hfv s MET 56 Ca 0.04 1.40 -0.17 0.00 -1.25 0.00 0.00 55.69 55.72 2hfv s MET 56 Cb -0.13 -2.42 0.02 0.00 1.25 0.00 0.00 34.83 33.55 2hfv s MET 56 CO -0.08 -0.14 1.26 -1.12 1.05 0.00 0.00 175.02 176.00 2hfv s SER 57 N -1.75 4.33 0.00 1.11 0.01 -1.26 -4.87 113.70 111.27 2hfv s SER 57 Ca 0.60 2.54 0.15 0.00 1.31 0.00 0.00 55.95 60.54 2hfv s SER 57 Cb -0.18 -2.61 0.90 0.00 0.21 0.00 0.00 66.02 64.33 2hfv s SER 57 CO 0.23 -2.18 1.41 0.00 0.41 0.00 0.00 173.24 173.11 2hfv n ILE 58 N -2.30 0.00 -2.62 1.44 0.13 -1.26 -4.42 119.36 110.33 2hfv n ILE 58 Ca 0.15 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.38 2hfv n ILE 58 Cb 0.49 -0.44 -0.01 0.00 -0.84 0.00 0.00 39.64 38.84 2hfv n ILE 58 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 2hfv s LEU 59 N -1.62 3.89 -0.14 9.51 1.98 -1.26 -4.59 118.68 126.44 2hfv s LEU 59 Ca 0.23 -2.12 -0.02 0.00 -2.89 0.00 0.00 54.13 49.32 2hfv s LEU 59 Cb 0.10 -2.55 0.01 0.00 0.66 0.00 0.00 46.19 44.41 2hfv s LEU 59 CO 0.17 -1.25 0.05 1.21 -1.89 0.00 0.00 176.35 174.64 2hfv n GLU 60 N 8.24 -2.38 -1.05 1.98 2.13 -1.26 -4.94 120.64 123.36 2hfv n GLU 60 Ca 0.41 2.06 -0.31 0.00 0.66 0.00 0.00 57.16 59.98 2hfv n GLU 60 Cb 0.48 -3.25 0.12 0.00 0.27 0.00 0.00 31.44 29.07 2hfv n GLU 60 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2hfv s GLY 61 N -0.99 1.67 0.46 8.31 0.00 -1.26 -5.04 107.32 110.47 2hfv s GLY 61 Ca -0.06 0.34 -0.07 0.00 0.00 0.00 0.00 44.72 44.93 2hfv s GLY 61 CO 0.42 0.73 0.63 -1.14 0.00 0.00 0.00 173.10 173.74 2hfv n SER 62 N -3.82 0.09 0.02 1.64 3.41 -1.26 -5.02 113.62 108.68 2hfv n SER 62 Ca 0.10 -1.26 -0.19 0.00 -0.26 0.00 0.00 58.87 57.26 2hfv n SER 62 Cb 0.53 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.39 -4.35 1.04 4.07 -1.99 -3.45 115.31 111.03 2hfv h LEU 63 Ca -0.20 -0.77 -0.10 0.00 0.08 0.00 0.00 57.88 56.89 2hfv h LEU 63 Cb 0.57 -0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.10 2hfv h LEU 63 CO 0.15 1.67 -0.10 0.61 -1.08 0.00 0.00 178.44 179.69 2hfv n GLY 64 N 1.87 0.40 0.11 0.83 0.00 -1.26 -4.98 105.19 102.16 2hfv n GLY 64 Ca -0.26 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 2hfv n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hfv h VAL 65 N 1.67 0.79 -3.59 1.61 2.07 -1.99 -3.44 116.25 113.38 2hfv h VAL 65 Ca -0.31 -2.57 -0.67 0.00 0.82 0.00 0.00 66.70 63.98 2hfv h VAL 65 Cb 1.19 2.50 -0.38 0.00 -1.52 0.00 0.00 31.29 33.08 2hfv h VAL 65 CO -0.12 0.70 -0.65 -0.63 0.02 0.00 0.00 177.57 176.90 2hfv s ILE 66 N -2.58 2.65 0.04 4.57 -1.09 -1.26 -5.09 121.20 118.43 2hfv s ILE 66 Ca -0.13 -2.43 -0.16 0.00 -2.23 0.00 0.00 60.65 55.71 2hfv s ILE 66 Cb 0.07 -2.89 -0.06 0.00 -1.58 0.00 0.00 42.46 38.01 2hfv s ILE 66 CO 0.81 -0.66 0.46 -2.16 -1.23 0.00 0.00 174.94 172.16 2hfv s PRO 67 N 0.76 3.99 0.26 2.79 0.04 -1.26 -4.81 135.00 136.77 2hfv s PRO 67 Ca 0.11 0.50 0.07 0.00 0.04 0.00 0.00 61.00 61.72 2hfv s PRO 67 Cb -0.21 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2hfv s PRO 67 CO -0.06 0.65 0.25 1.03 0.04 0.00 0.00 177.00 178.92 2hfv s ARG 68 N -1.20 3.03 -0.00 4.56 0.52 -0.33 -4.51 118.95 121.02 2hfv s ARG 68 Ca 0.27 -1.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 2hfv s ARG 68 Cb -0.17 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.65 2hfv s ARG 68 CO 0.16 0.37 -0.08 -0.98 0.02 0.00 0.00 175.30 174.78 2hfv s ARG 69 N -3.90 0.67 -0.31 3.54 1.70 -1.26 -1.39 118.95 118.00 2hfv s ARG 69 Ca 0.34 -0.34 -0.10 0.00 -0.47 0.00 0.00 55.73 55.17 2hfv s ARG 69 Cb -0.08 -0.64 -0.01 0.00 -0.57 0.00 0.00 34.95 33.65 2hfv s ARG 69 CO 0.26 0.17 0.16 0.08 -1.08 0.00 0.00 175.30 174.89 2hfv s VAL 70 N -0.28 4.71 0.30 4.99 1.01 0.15 -4.15 120.40 127.13 2hfv s VAL 70 Ca 0.02 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.78 2hfv s VAL 70 Cb -0.04 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2hfv s VAL 70 CO -0.00 0.10 -0.09 -0.76 0.00 0.00 0.00 175.10 174.34 2hfv s LEU 71 N 1.64 2.82 0.19 3.92 1.02 0.97 -0.36 118.68 128.88 2hfv s LEU 71 Ca 0.05 -0.99 0.00 0.00 0.02 0.00 0.00 54.13 53.22 2hfv s LEU 71 Cb -0.17 -1.25 -0.04 0.00 0.02 0.00 0.00 46.19 44.75 2hfv s LEU 71 CO 0.07 -0.08 0.07 0.68 0.02 0.00 0.00 176.35 177.11 2hfv s VAL 72 N -2.50 0.33 0.24 -1.59 -7.23 -1.15 0.67 120.40 109.16 2hfv s VAL 72 Ca 0.32 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 2hfv s VAL 72 Cb -0.03 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.50 2hfv s VAL 72 CO 0.17 -0.24 1.16 -1.00 -0.31 0.00 0.00 175.10 174.88 2hfv s HIS 73 N -3.91 3.47 -0.84 2.82 3.76 0.36 -3.23 115.29 117.73 2hfv s HIS 73 Ca 0.31 1.55 0.11 0.00 -0.15 0.00 0.00 55.06 56.88 2hfv s HIS 73 Cb 0.07 -3.38 0.51 0.00 1.11 0.00 0.00 32.58 30.89 2hfv s HIS 73 CO 0.08 -0.94 1.35 0.39 -0.85 0.00 0.00 174.74 174.77 2hfv n GLU 74 N 1.81 0.04 -0.34 1.40 1.02 -0.49 -1.14 120.64 122.96 2hfv n GLU 74 Ca 0.02 0.41 0.06 0.00 -0.02 0.00 0.00 57.16 57.63 2hfv n GLU 74 Cb 0.45 -1.60 0.25 0.00 -0.02 0.00 0.00 31.44 30.52 2hfv n GLU 74 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2hfv h ASP 75 N 0.00 0.90 -0.23 1.62 5.19 -1.91 -3.02 116.42 118.98 2hfv h ASP 75 Ca 0.00 0.03 -0.21 0.00 -0.62 0.00 0.00 57.03 56.24 2hfv h ASP 75 Cb 0.15 -0.15 -0.27 0.00 0.18 0.00 0.00 39.33 39.23 2hfv h ASP 75 CO 0.00 0.52 -0.83 0.47 -3.12 0.00 0.00 179.24 176.27 2hfv n ASP 76 N -4.56 2.13 0.26 6.45 8.00 -0.29 -4.89 116.55 123.65 2hfv n ASP 76 Ca 0.17 -2.98 -0.16 0.00 0.71 0.00 0.00 54.79 52.53 2hfv n ASP 76 Cb 0.31 -0.42 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 2hfv n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2hfv h LEU 77 N 1.53 -0.99 -1.23 0.64 7.12 -1.18 0.26 115.31 121.44 2hfv h LEU 77 Ca -0.02 0.08 -0.08 0.00 0.13 0.00 0.00 57.88 57.99 2hfv h LEU 77 Cb 1.42 0.32 -0.01 0.00 -0.53 0.00 0.00 40.66 41.86 2hfv h LEU 77 CO 0.21 -0.53 -0.35 0.00 -0.13 0.00 0.00 178.44 177.64 2hfv h ALA 78 N -0.40 1.37 -0.14 1.25 0.00 -1.89 -2.80 119.26 116.64 2hfv h ALA 78 Ca -0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2hfv h ALA 78 Cb 0.70 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2hfv h ALA 78 CO -0.03 0.47 -0.10 0.78 0.00 0.00 0.00 179.25 180.37 2hfv h GLY 79 N 1.09 0.34 0.95 0.00 0.00 -1.74 0.04 103.07 103.76 2hfv h GLY 79 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2hfv h GLY 79 CO 0.05 0.30 0.16 0.00 0.00 0.00 0.00 176.54 177.04 2hfv h ALA 80 N 0.64 0.57 -0.18 3.60 0.00 -0.48 0.33 119.26 123.74 2hfv h ALA 80 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2hfv h ALA 80 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2hfv h ALA 80 CO 0.03 0.20 -0.29 0.00 0.00 0.00 0.00 179.25 179.18 2hfv h ARG 81 N 0.57 0.35 -0.24 0.00 3.08 -1.51 -0.58 114.38 116.04 2hfv h ARG 81 Ca 0.14 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2hfv h ARG 81 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2hfv h ARG 81 CO -0.01 0.61 0.12 -0.09 -1.07 0.00 0.00 179.97 179.53 2hfv h ARG 82 N 0.31 0.34 0.32 0.04 9.65 -0.53 -1.70 114.38 122.80 2hfv h ARG 82 Ca 0.04 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2hfv h ARG 82 Cb 0.67 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 2hfv h ARG 82 CO 0.05 0.33 -0.15 1.25 2.80 0.00 0.00 179.97 184.24 2hfv h LEU 83 N 0.26 -0.36 -2.07 3.80 5.85 -0.49 0.25 115.31 122.55 2hfv h LEU 83 Ca 0.08 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2hfv h LEU 83 Cb 0.09 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2hfv h LEU 83 CO -0.01 -0.24 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.75 2hfv h LEU 84 N -0.45 0.00 0.03 2.25 3.38 -1.09 0.85 115.31 120.28 2hfv h LEU 84 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2hfv h LEU 84 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2hfv h LEU 84 CO 0.07 0.02 -0.82 0.74 0.09 0.00 0.00 178.44 178.55 2hfv h THR 85 N 0.00 1.28 -0.07 0.22 2.02 -1.03 0.23 112.91 115.56 2hfv h THR 85 Ca -0.00 -2.29 -0.15 0.00 0.77 0.00 0.00 66.41 64.74 2hfv h THR 85 Cb 0.04 2.77 0.01 0.00 -1.74 0.00 0.00 68.15 69.23 2hfv h THR 85 CO 0.00 0.50 -0.53 -0.78 0.37 0.00 0.00 175.52 175.09 2hfv h ASP 86 N -0.85 0.58 0.00 4.18 3.58 -0.29 -3.38 116.42 120.24 2hfv h ASP 86 Ca -0.21 -0.68 -0.11 0.00 0.42 0.00 0.00 57.03 56.45 2hfv h ASP 86 Cb 1.29 -0.17 -0.24 0.00 1.72 0.00 0.00 39.33 41.92 2hfv h ASP 86 CO -0.07 1.17 -0.84 0.00 -2.88 0.00 0.00 179.24 176.62 2hfv n ALA 87 N -2.56 2.85 -1.00 -0.78 0.00 0.25 -4.92 120.51 114.35 2hfv n ALA 87 Ca -0.09 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.64 2hfv n ALA 87 Cb 0.62 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2hfv n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hfv n GLY 88 N -0.10 0.24 0.56 0.00 0.00 -0.94 -4.87 105.19 100.07 2hfv n GLY 88 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.00 0.00 -2.76 0.99 -0.00 0.74 -5.00 117.00 109.97 2hfv n LEU 89 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 2hfv n LEU 89 Cb 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 43.42 43.54 2hfv n LEU 89 CO 0.00 -0.14 -0.52 0.00 -0.00 0.00 0.00 177.39 176.73 2hfv n ALA 90 N -1.66 -3.20 0.12 1.47 0.00 -0.80 -4.96 120.51 111.49 2hfv n ALA 90 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 53.44 54.59 2hfv n ALA 90 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 1.33 -3.42 0.54 0.00 -0.00 -1.26 -4.95 115.22 107.45 2hfv n HIS 91 Ca -0.16 0.79 0.03 0.00 -0.00 0.00 0.00 57.72 58.38 2hfv n HIS 91 Cb 0.31 2.17 0.14 0.00 -0.00 0.00 0.00 29.99 32.61 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 -3.00 2.22 -2.38 1.57 -0.58 -1.26 -4.90 120.64 112.31 2hfv n GLU 92 Ca 0.00 -1.14 -0.42 0.00 -0.42 0.00 0.00 57.16 55.18 2hfv n GLU 92 Cb 0.00 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.23 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 -1.03 4.31 0.37 -4.62 1.43 -1.26 -4.19 118.68 113.68 2hfv s LEU 93 Ca 0.20 1.95 0.08 0.00 -1.03 0.00 0.00 54.13 55.33 2hfv s LEU 93 Cb 0.14 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2hfv s LEU 93 CO 0.08 -0.60 0.02 -0.60 0.23 0.00 0.00 176.35 175.48 2hfv s ARG 94 N 2.04 2.04 0.50 1.70 6.06 0.22 -4.99 118.95 126.51 2hfv s ARG 94 Ca 0.59 -1.86 0.07 0.00 -2.50 0.00 0.00 55.73 52.03 2hfv s ARG 94 Cb -0.28 -1.85 0.02 0.00 0.06 0.00 0.00 34.95 32.91 2hfv s ARG 94 CO 0.25 0.06 0.47 -1.54 -2.50 0.00 0.00 175.30 172.03 2hfv s SER 95 N -3.73 4.89 -1.36 -2.12 1.04 -1.26 -4.53 113.70 106.63 2hfv s SER 95 Ca 0.35 -0.97 -0.13 0.00 0.48 0.00 0.00 55.95 55.68 2hfv s SER 95 Cb 0.03 0.00 0.10 0.00 0.10 0.00 0.00 66.02 66.25 2hfv s SER 95 CO 0.19 -0.97 1.97 -0.90 0.98 0.00 0.00 173.24 174.51 2hfv n ASP 96 N -1.77 4.55 -0.87 7.02 5.75 -1.26 -4.89 116.55 125.08 2hfv n ASP 96 Ca 0.04 -2.95 0.12 0.00 -0.01 0.00 0.00 54.79 51.99 2hfv n ASP 96 Cb 0.63 -1.61 0.18 0.00 -1.03 0.00 0.00 41.12 39.29 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19