#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 2.25 2.71 -5.12 0.00 -1.26 -5.10 105.19 98.67 2hfv n GLY 2 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.41 -0.30 1.61 1.04 -1.26 -5.13 113.70 109.26 2hfv s SER 3 Ca 0.00 -1.97 -0.21 0.00 0.48 0.00 0.00 55.95 54.25 2hfv s SER 3 Cb 0.00 1.14 -0.01 0.00 0.10 0.00 0.00 66.02 67.26 2hfv s SER 3 CO 0.00 -0.12 0.66 -0.94 0.98 0.00 0.00 173.24 173.82 2hfv s SER 4 N 0.82 6.54 -0.15 7.02 1.04 -1.26 -5.01 113.70 122.70 2hfv s SER 4 Ca 0.28 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 57.18 2hfv s SER 4 Cb -0.01 -2.35 0.06 0.00 0.10 0.00 0.00 66.02 63.82 2hfv s SER 4 CO -0.09 -0.49 0.08 -1.00 0.98 0.00 0.00 173.24 172.73 2hfv s HIS 5 N 2.66 0.27 -0.27 5.02 4.02 -1.26 -5.11 115.29 120.61 2hfv s HIS 5 Ca 0.27 -0.29 -0.01 0.00 1.02 0.00 0.00 55.06 56.05 2hfv s HIS 5 Cb -0.15 -0.70 0.15 0.00 -1.02 0.00 0.00 32.58 30.86 2hfv s HIS 5 CO 0.11 -0.48 0.43 -3.38 1.02 0.00 0.00 174.74 172.45 2hfv s HIS 6 N 2.11 -1.05 -0.28 1.40 -0.00 -1.26 -5.10 115.29 111.11 2hfv s HIS 6 Ca 0.02 0.88 0.00 0.00 -0.00 0.00 0.00 55.06 55.97 2hfv s HIS 6 Cb -0.16 0.09 0.15 0.00 -0.00 0.00 0.00 32.58 32.66 2hfv s HIS 6 CO -0.08 -0.82 0.37 -1.01 -0.00 0.00 0.00 174.74 173.20 2hfv s HIS 7 N 2.61 -0.83 -0.06 0.38 0.09 -1.26 -5.12 115.29 111.10 2hfv s HIS 7 Ca 0.13 0.31 -0.03 0.00 -0.00 0.00 0.00 55.06 55.48 2hfv s HIS 7 Cb -0.14 -0.19 0.04 0.00 -0.00 0.00 0.00 32.58 32.28 2hfv s HIS 7 CO -0.20 -0.91 0.09 -3.38 -0.00 0.00 0.00 174.74 170.33 2hfv s HIS 8 N 2.50 0.02 -0.33 1.40 -0.00 -1.26 -5.11 115.29 112.51 2hfv s HIS 8 Ca 0.10 0.28 0.01 0.00 -0.00 0.00 0.00 55.06 55.45 2hfv s HIS 8 Cb -0.13 -0.45 0.14 0.00 -0.00 0.00 0.00 32.58 32.13 2hfv s HIS 8 CO -0.27 -0.24 0.30 -1.58 -0.00 0.00 0.00 174.74 172.94 2hfv s HIS 9 N 2.20 -0.21 -0.40 0.38 5.65 -1.26 -4.99 115.29 116.67 2hfv s HIS 9 Ca 0.04 -0.64 0.12 0.00 0.25 0.00 0.00 55.06 54.83 2hfv s HIS 9 Cb -0.12 -0.53 0.41 0.00 -1.18 0.00 0.00 32.58 31.16 2hfv s HIS 9 CO -0.04 -0.92 0.95 1.58 -0.65 0.00 0.00 174.74 175.66 2hfv n HIS 10 N 4.76 1.99 -2.18 3.88 -0.00 -1.26 -5.04 115.22 117.36 2hfv n HIS 10 Ca 0.04 -3.24 -0.31 0.00 -0.00 0.00 0.00 57.72 54.21 2hfv n HIS 10 Cb 0.44 -0.32 -0.04 0.00 -0.00 0.00 0.00 29.99 30.07 2hfv n HIS 10 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2hfv s SER 11 N -3.15 5.50 0.42 0.26 0.01 -1.26 -4.91 113.70 110.56 2hfv s SER 11 Ca 0.38 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2hfv s SER 11 Cb 0.40 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 64.07 2hfv s SER 11 CO -0.07 -2.40 0.02 -1.54 0.41 0.00 0.00 173.24 169.65 2hfv n SER 12 N 12.57 2.93 0.00 2.44 3.41 -1.26 -5.07 113.62 128.64 2hfv n SER 12 Ca 0.36 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 2hfv n SER 12 Cb 0.48 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 2hfv n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hfv n GLY 13 N -0.16 0.43 0.06 5.00 0.00 -1.26 -5.07 105.19 104.19 2hfv n GLY 13 Ca -0.16 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 2hfv n GLY 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2hfv h ARG 14 N 0.00 -0.11 -0.44 1.61 2.43 -2.05 -3.48 114.38 112.34 2hfv h ARG 14 Ca 0.00 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.40 2hfv h ARG 14 Cb 0.00 0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 29.36 2hfv h ARG 14 CO 0.00 -0.07 0.12 -2.00 -1.51 0.00 0.00 179.97 176.51 2hfv s GLU 15 N -1.80 0.23 -0.30 0.20 2.12 -1.26 -5.15 118.70 112.74 2hfv s GLU 15 Ca -0.02 0.42 -0.13 0.00 0.36 0.00 0.00 54.97 55.61 2hfv s GLU 15 Cb 0.00 0.24 0.14 0.00 0.26 0.00 0.00 34.13 34.77 2hfv s GLU 15 CO 0.05 -0.22 0.82 1.21 -0.54 0.00 0.00 175.26 176.57 2hfv s ASN 16 N 2.87 -0.86 -0.59 -1.70 3.84 -1.26 -5.12 114.94 112.12 2hfv s ASN 16 Ca 0.01 1.20 -0.18 0.00 0.21 0.00 0.00 52.86 54.10 2hfv s ASN 16 Cb -0.10 1.92 0.12 0.00 -0.55 0.00 0.00 41.25 42.64 2hfv s ASN 16 CO -0.13 -0.17 0.64 -0.76 -2.79 0.00 0.00 177.10 173.90 2hfv s LEU 17 N 2.55 5.74 -0.41 3.21 1.43 -1.26 -4.98 118.68 124.97 2hfv s LEU 17 Ca -0.05 -1.64 0.03 0.00 -1.03 0.00 0.00 54.13 51.44 2hfv s LEU 17 Cb -0.09 -2.27 0.11 0.00 0.03 0.00 0.00 46.19 43.98 2hfv s LEU 17 CO -0.18 -1.00 0.15 -0.72 0.23 0.00 0.00 176.35 174.83 2hfv s TYR 18 N 2.17 3.16 0.00 0.29 -0.85 -1.26 -5.01 117.35 115.85 2hfv s TYR 18 Ca 0.09 -2.88 0.00 0.00 -0.52 0.00 0.00 57.07 53.76 2hfv s TYR 18 Cb -0.25 -2.66 0.00 0.00 0.38 0.00 0.00 41.96 39.43 2hfv s TYR 18 CO 0.04 -0.85 0.00 1.19 -1.52 0.00 0.00 175.55 174.41 2hfv n PHE 19 N 3.81 0.00 0.00 -3.49 3.72 -1.26 -4.88 117.46 115.36 2hfv n PHE 19 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2hfv n PHE 19 Cb 0.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2hfv n PHE 19 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2hfv n GLN 20 N -0.19 0.00 0.00 -1.08 6.02 -1.26 -4.65 117.38 116.22 2hfv n GLN 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2hfv n GLN 20 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2hfv n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hfv n GLY 21 N 0.00 3.87 0.06 1.08 0.00 -1.26 -5.03 105.19 103.91 2hfv n GLY 21 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.37 0.00 -1.03 1.61 -0.00 -1.26 -5.13 115.22 108.05 2hfv n HIS 22 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 2hfv n HIS 22 Cb 0.00 -0.57 -0.03 0.00 -0.00 0.00 0.00 29.99 29.39 2hfv n HIS 22 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2hfv n LEU 23 N -2.51 -0.94 -4.38 2.41 4.32 -1.26 -4.95 117.00 109.69 2hfv n LEU 23 Ca -0.20 1.80 -0.33 0.00 -0.02 0.00 0.00 56.01 57.27 2hfv n LEU 23 Cb 0.86 -1.93 -0.14 0.00 -1.62 0.00 0.00 43.42 40.59 2hfv n LEU 23 CO 0.23 -0.97 -0.47 -0.13 -1.22 0.00 0.00 177.39 174.83 2hfv s ARG 24 N -4.47 3.04 0.08 3.23 1.81 -0.99 -4.84 118.95 116.80 2hfv s ARG 24 Ca 0.00 -0.73 -0.31 0.00 -1.72 0.00 0.00 55.73 52.98 2hfv s ARG 24 Cb 0.00 -2.49 -0.08 0.00 -0.45 0.00 0.00 34.95 31.93 2hfv s ARG 24 CO 0.00 0.34 1.53 -2.00 -0.68 0.00 0.00 175.30 174.48 2hfv s GLU 25 N 0.01 4.24 -0.11 3.54 2.12 -1.26 -1.22 118.70 126.03 2hfv s GLU 25 Ca -0.05 2.20 -0.12 0.00 0.36 0.00 0.00 54.97 57.36 2hfv s GLU 25 Cb -0.14 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.76 2hfv s GLU 25 CO 0.04 -0.61 -0.24 -0.11 -0.54 0.00 0.00 175.26 173.80 2hfv n LEU 26 N 4.92 1.61 -4.02 2.70 7.94 0.10 -4.82 117.00 125.43 2hfv n LEU 26 Ca 0.14 0.26 -0.10 0.00 -1.11 0.00 0.00 56.01 55.20 2hfv n LEU 26 Cb 0.41 -0.60 -0.07 0.00 0.53 0.00 0.00 43.42 43.70 2hfv n LEU 26 CO 0.61 -0.29 0.01 -1.48 -1.11 0.00 0.00 177.39 175.13 2hfv s LEU 27 N -7.50 0.75 -0.07 -1.96 0.05 -1.18 -1.07 118.68 107.69 2hfv s LEU 27 Ca -0.21 -0.99 -0.11 0.00 0.05 0.00 0.00 54.13 52.87 2hfv s LEU 27 Cb 0.04 1.25 0.02 0.00 -2.05 0.00 0.00 46.19 45.46 2hfv s LEU 27 CO 0.29 -0.98 0.28 0.00 -0.55 0.00 0.00 176.35 175.39 2hfv s ARG 28 N -4.02 0.44 -0.11 1.48 1.04 -1.20 0.32 118.95 116.91 2hfv s ARG 28 Ca 0.23 0.14 -0.33 0.00 -1.04 0.00 0.00 55.73 54.74 2hfv s ARG 28 Cb 0.02 0.20 0.13 0.00 -2.04 0.00 0.00 34.95 33.27 2hfv s ARG 28 CO 0.06 -0.09 1.18 -0.08 -0.04 0.00 0.00 175.30 176.33 2hfv s THR 29 N -0.44 0.00 -2.15 4.99 -1.32 0.26 -4.93 115.64 112.05 2hfv s THR 29 Ca -0.05 -0.09 0.23 0.00 -1.21 0.00 0.00 61.69 60.56 2hfv s THR 29 Cb -0.04 -1.32 0.01 0.00 -1.51 0.00 0.00 72.50 69.65 2hfv s THR 29 CO 0.02 0.00 1.11 -0.46 -2.21 0.00 0.00 174.62 173.07 2hfv n ASN 30 N -0.23 2.15 -4.65 8.08 6.94 -1.26 -1.70 115.26 124.59 2hfv n ASN 30 Ca -0.03 -1.57 -0.43 0.00 -0.02 0.00 0.00 54.58 52.53 2hfv n ASN 30 Cb 0.60 0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 38.42 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 -2.42 6.83 0.11 0.53 -1.08 -1.26 -4.91 116.67 114.47 2hfv s ASP 31 Ca 0.19 1.45 -0.10 0.00 -0.52 0.00 0.00 52.55 53.57 2hfv s ASP 31 Cb 0.18 -2.54 -0.13 0.00 -1.46 0.00 0.00 42.92 38.97 2hfv s ASP 31 CO 0.54 -0.90 1.29 0.00 0.52 0.00 0.00 175.17 176.62 2hfv h ALA 32 N 8.67 0.31 -0.28 3.66 0.00 -1.99 -2.86 119.26 126.77 2hfv h ALA 32 Ca -0.26 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 53.99 2hfv h ALA 32 Cb 1.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2hfv h ALA 32 CO 1.00 0.72 0.11 0.28 0.00 0.00 0.00 179.25 181.36 2hfv h VAL 33 N 0.41 1.18 -0.92 0.00 2.07 -1.99 -0.54 116.25 116.46 2hfv h VAL 33 Ca -0.08 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2hfv h VAL 33 Cb 1.50 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 2hfv h VAL 33 CO 0.17 0.19 0.52 0.25 0.02 0.00 0.00 177.57 178.72 2hfv h LEU 34 N 0.30 1.13 -1.00 2.57 5.85 -1.98 -2.19 115.31 119.99 2hfv h LEU 34 Ca 0.09 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2hfv h LEU 34 Cb 0.20 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2hfv h LEU 34 CO -0.01 0.90 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.64 2hfv h LEU 35 N 1.28 0.00 -0.55 2.25 3.38 -1.22 -1.60 115.31 118.84 2hfv h LEU 35 Ca 0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 2hfv h LEU 35 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2hfv h LEU 35 CO -0.05 0.28 -0.57 0.28 0.09 0.00 0.00 178.44 178.47 2hfv h SER 36 N 0.00 0.00 0.06 -0.43 0.02 -0.49 0.15 113.55 112.86 2hfv h SER 36 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2hfv h SER 36 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2hfv h SER 36 CO 0.04 0.57 -0.03 0.00 -1.14 0.00 0.00 176.83 176.27 2hfv h ALA 37 N 1.43 -0.09 -0.37 3.77 0.00 -1.00 -3.10 119.26 119.90 2hfv h ALA 37 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2hfv h ALA 37 Cb 1.19 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2hfv h ALA 37 CO 0.07 -0.13 -0.04 -0.24 0.00 0.00 0.00 179.25 178.91 2hfv h VAL 38 N -0.92 1.22 -0.88 0.00 3.04 -1.38 -2.73 116.25 114.60 2hfv h VAL 38 Ca -0.01 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.75 2hfv h VAL 38 Cb 0.59 0.98 -0.04 0.00 -2.01 0.00 0.00 31.29 30.81 2hfv h VAL 38 CO 0.01 0.32 0.56 1.23 -1.01 0.00 0.00 177.57 178.69 2hfv h GLY 39 N 0.92 1.26 2.00 3.17 0.00 -1.07 -1.68 103.07 107.66 2hfv h GLY 39 Ca 0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2hfv h GLY 39 CO 0.02 0.48 -0.25 0.00 0.00 0.00 0.00 176.54 176.79 2hfv h ALA 40 N 1.41 1.59 -0.03 3.60 0.00 -1.40 0.21 119.26 124.64 2hfv h ALA 40 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2hfv h ALA 40 Cb -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2hfv h ALA 40 CO -0.07 0.31 -0.03 -0.07 0.00 0.00 0.00 179.25 179.40 2hfv h LEU 41 N 0.00 0.08 -1.00 0.00 3.38 -1.27 0.18 115.31 116.68 2hfv h LEU 41 Ca -0.00 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 2hfv h LEU 41 Cb 0.44 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2hfv h LEU 41 CO 0.03 0.53 -0.15 -0.07 0.09 0.00 0.00 178.44 178.88 2hfv h LEU 42 N -0.37 0.53 0.17 1.67 3.38 -1.09 -1.57 115.31 118.04 2hfv h LEU 42 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2hfv h LEU 42 Cb 0.51 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2hfv h LEU 42 CO 0.01 0.71 -0.08 0.44 0.09 0.00 0.00 178.44 179.60 2hfv h ASP 43 N 0.50 -0.20 0.49 -0.43 3.32 -0.55 -1.08 116.42 118.47 2hfv h ASP 43 Ca 0.09 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2hfv h ASP 43 Cb 0.55 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2hfv h ASP 43 CO 0.04 0.13 -0.26 1.23 -1.72 0.00 0.00 179.24 178.66 2hfv h GLY 44 N -0.54 0.00 -1.71 2.75 0.00 -0.45 -2.36 103.07 100.76 2hfv h GLY 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2hfv h GLY 44 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 2hfv n ALA 45 N -2.35 2.43 -2.31 3.60 0.00 -0.61 -4.91 120.51 116.37 2hfv n ALA 45 Ca -0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 53.44 52.41 2hfv n ALA 45 Cb 0.36 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 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 0.89 -5.64 -0.04 0.00 2.03 -0.89 -4.88 116.55 108.01 2hfv n ASP 46 Ca 0.16 0.03 -0.19 0.00 0.52 0.00 0.00 54.79 55.31 2hfv n ASP 46 Cb 0.41 -4.69 -0.13 0.00 -0.72 0.00 0.00 41.12 35.99 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 1.32 0.00 5.18 2.04 -1.44 -3.50 117.51 121.11 2hfv h ILE 47 Ca -0.46 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.05 2hfv h ILE 47 Cb 1.34 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 2hfv h ILE 47 CO 0.56 0.57 0.00 0.61 0.00 0.00 0.00 178.15 179.89 2hfv n GLY 48 N 1.61 0.26 3.63 5.37 0.00 -0.88 -4.00 105.19 111.17 2hfv n GLY 48 Ca -0.20 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 2hfv n GLY 48 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2hfv s HIS 49 N -1.73 -0.41 -0.53 1.61 -3.43 -1.26 -4.35 115.29 105.19 2hfv s HIS 49 Ca 0.00 0.95 -0.17 0.00 -0.80 0.00 0.00 55.06 55.03 2hfv s HIS 49 Cb 0.00 0.39 0.09 0.00 -1.43 0.00 0.00 32.58 31.64 2hfv s HIS 49 CO 0.00 -0.23 0.57 -1.17 -2.00 0.00 0.00 174.74 171.91 2hfv s LEU 50 N -0.07 5.57 0.17 5.38 1.98 0.12 -4.97 118.68 126.86 2hfv s LEU 50 Ca 0.03 -1.40 0.04 0.00 -2.89 0.00 0.00 54.13 49.91 2hfv s LEU 50 Cb -0.04 -2.28 -0.05 0.00 0.66 0.00 0.00 46.19 44.48 2hfv s LEU 50 CO -0.05 -0.90 -0.07 0.68 -1.89 0.00 0.00 176.35 174.11 2hfv s VAL 51 N 2.16 1.13 0.27 1.68 -7.23 -1.26 -3.29 120.40 113.85 2hfv s VAL 51 Ca 0.08 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2hfv s VAL 51 Cb -0.25 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2hfv s VAL 51 CO 0.07 -0.62 0.00 0.18 -0.31 0.00 0.00 175.10 174.42 2hfv n LEU 52 N -0.26 -0.49 0.00 1.32 4.77 -1.26 -5.05 117.00 116.03 2hfv n LEU 52 Ca -0.09 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2hfv n LEU 52 Cb 0.62 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.05 2hfv n LEU 52 CO 0.34 -1.75 0.00 -0.67 -1.33 0.00 0.00 177.39 173.97 2hfv n ASP 53 N -3.49 0.00 0.21 -1.43 2.03 -1.26 -5.00 116.55 107.62 2hfv n ASP 53 Ca -0.02 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.14 2hfv n ASP 53 Cb 0.38 0.13 -0.07 0.00 -0.72 0.00 0.00 41.12 40.84 2hfv n ASP 53 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2hfv h GLN 54 N 0.00 -0.58 0.00 -0.67 4.15 -2.02 -3.45 115.11 112.54 2hfv h GLN 54 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2hfv h GLN 54 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2hfv h GLN 54 CO 0.00 -0.39 0.00 -1.71 -1.93 0.00 0.00 178.83 174.80 2hfv n ASN 55 N -5.39 0.00 -4.77 -0.69 4.05 -1.26 -4.90 115.26 102.30 2hfv n ASN 55 Ca -0.10 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.64 2hfv n ASN 55 Cb 0.29 0.00 0.13 0.00 1.23 0.00 0.00 39.78 41.44 2hfv n ASN 55 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 2hfv s MET 56 N 0.00 1.19 0.78 1.20 -1.94 -1.26 -5.05 119.30 114.22 2hfv s MET 56 Ca 0.00 0.43 -0.11 0.00 -1.71 0.00 0.00 55.69 54.29 2hfv s MET 56 Cb 0.00 -1.83 0.06 0.00 2.01 0.00 0.00 34.83 35.07 2hfv s MET 56 CO 0.00 -2.19 1.09 -1.54 -0.01 0.00 0.00 175.02 172.37 2hfv s SER 57 N -3.86 4.66 -0.56 3.03 1.04 -1.26 -4.95 113.70 111.80 2hfv s SER 57 Ca 0.63 1.33 -0.27 0.00 0.48 0.00 0.00 55.95 58.12 2hfv s SER 57 Cb -0.16 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2hfv s SER 57 CO 0.54 -1.87 1.59 -0.51 0.98 0.00 0.00 173.24 173.98 2hfv s ILE 58 N -3.16 3.61 -0.19 -1.02 1.10 -1.26 -4.97 121.20 115.32 2hfv s ILE 58 Ca 0.60 0.49 -0.06 0.00 -0.51 0.00 0.00 60.65 61.18 2hfv s ILE 58 Cb -0.14 -4.21 -0.03 0.00 0.15 0.00 0.00 42.46 38.22 2hfv s ILE 58 CO 0.54 -1.04 0.01 -0.22 -2.11 0.00 0.00 174.94 172.13 2hfv s LEU 59 N 7.04 3.44 0.10 8.50 1.98 -1.26 -5.06 118.68 133.42 2hfv s LEU 59 Ca 0.59 -0.10 -0.31 0.00 -2.89 0.00 0.00 54.13 51.43 2hfv s LEU 59 Cb -0.13 -1.86 -0.10 0.00 0.66 0.00 0.00 46.19 44.76 2hfv s LEU 59 CO 0.24 0.12 1.84 -1.83 -1.89 0.00 0.00 176.35 174.83 2hfv s GLU 60 N 0.69 4.14 0.00 1.98 -1.05 -1.26 -2.00 118.70 121.21 2hfv s GLU 60 Ca 0.01 2.57 0.00 0.00 -0.15 0.00 0.00 54.97 57.40 2hfv s GLU 60 Cb -0.14 -3.70 0.00 0.00 -0.44 0.00 0.00 34.13 29.85 2hfv s GLU 60 CO 0.02 -0.86 0.00 0.41 0.95 0.00 0.00 175.26 175.78 2hfv n GLY 61 N 4.27 1.60 3.29 -3.83 0.00 -1.26 -5.05 105.19 104.21 2hfv n GLY 61 Ca 0.18 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 2hfv n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hfv s SER 62 N -0.44 5.77 -1.10 1.61 1.04 -0.85 -5.02 113.70 114.71 2hfv s SER 62 Ca 0.00 -1.51 -0.18 0.00 0.48 0.00 0.00 55.95 54.74 2hfv s SER 62 Cb 0.00 -2.04 0.12 0.00 0.10 0.00 0.00 66.02 64.20 2hfv s SER 62 CO 0.00 -0.58 1.39 -0.76 0.98 0.00 0.00 173.24 174.27 2hfv s LEU 63 N 1.47 4.55 -0.24 2.42 1.02 -1.26 -4.70 118.68 121.94 2hfv s LEU 63 Ca 0.03 -2.31 0.01 0.00 0.02 0.00 0.00 54.13 51.89 2hfv s LEU 63 Cb -0.24 -2.46 0.06 0.00 0.02 0.00 0.00 46.19 43.57 2hfv s LEU 63 CO 0.03 -1.06 -0.06 -0.83 0.02 0.00 0.00 176.35 174.44 2hfv s GLY 64 N 3.74 1.36 0.18 -3.19 0.00 -1.26 -4.89 107.32 103.26 2hfv s GLY 64 Ca 0.42 -1.45 0.24 0.00 0.00 0.00 0.00 44.72 43.93 2hfv s GLY 64 CO -0.03 0.88 1.39 -2.08 0.00 0.00 0.00 173.10 173.26 2hfv h VAL 65 N 6.69 0.00 -5.37 1.40 2.07 -2.01 -3.50 116.25 115.53 2hfv h VAL 65 Ca -0.18 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 2hfv h VAL 65 Cb 1.06 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2hfv h VAL 65 CO 0.42 0.00 -0.82 -0.38 0.02 0.00 0.00 177.57 176.81 2hfv n ILE 66 N -2.31-10.54 -2.01 4.57 -0.00 -1.26 -4.84 119.36 102.97 2hfv n ILE 66 Ca 0.03 1.29 -0.27 0.00 -0.00 0.00 0.00 62.75 63.81 2hfv n ILE 66 Cb 0.46 -6.62 -0.05 0.00 -0.00 0.00 0.00 39.64 33.44 2hfv n ILE 66 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2hfv s PRO 67 N -2.02 2.49 -0.03 0.38 0.04 -1.26 -4.71 135.00 129.89 2hfv s PRO 67 Ca 0.12 -0.15 -0.30 0.00 0.04 0.00 0.00 61.00 60.71 2hfv s PRO 67 Cb -0.03 -4.98 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 2hfv s PRO 67 CO 0.73 -3.40 1.17 1.03 0.04 0.00 0.00 177.00 176.57 2hfv s ARG 68 N 7.15 4.39 -0.12 4.56 0.52 -0.69 -4.84 118.95 129.92 2hfv s ARG 68 Ca 0.72 1.65 -0.00 0.00 -0.52 0.00 0.00 55.73 57.58 2hfv s ARG 68 Cb -0.08 -3.51 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 2hfv s ARG 68 CO 0.02 -0.38 -0.11 -0.98 0.02 0.00 0.00 175.30 173.87 2hfv s ARG 69 N 1.90 3.32 -0.38 3.54 1.70 -1.26 -0.58 118.95 127.19 2hfv s ARG 69 Ca 0.56 -0.65 -0.13 0.00 -0.47 0.00 0.00 55.73 55.03 2hfv s ARG 69 Cb -0.25 -2.65 0.01 0.00 -0.57 0.00 0.00 34.95 31.49 2hfv s ARG 69 CO 0.23 0.28 0.25 0.08 -1.08 0.00 0.00 175.30 175.07 2hfv s VAL 70 N 0.19 5.04 -0.06 4.99 1.01 0.15 -4.69 120.40 127.04 2hfv s VAL 70 Ca -0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2hfv s VAL 70 Cb -0.15 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2hfv s VAL 70 CO 0.05 -0.20 0.10 -0.76 0.00 0.00 0.00 175.10 174.29 2hfv s LEU 71 N 1.65 4.07 0.46 3.92 1.02 -1.21 0.01 118.68 128.61 2hfv s LEU 71 Ca 0.04 0.28 0.04 0.00 0.02 0.00 0.00 54.13 54.52 2hfv s LEU 71 Cb -0.19 -2.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.80 2hfv s LEU 71 CO 0.09 0.34 0.01 0.68 0.02 0.00 0.00 176.35 177.48 2hfv s VAL 72 N -1.10 1.58 0.02 -1.59 -7.23 -0.36 0.12 120.40 111.84 2hfv s VAL 72 Ca 0.19 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.04 2hfv s VAL 72 Cb -0.12 -2.57 -0.11 0.00 0.56 0.00 0.00 36.38 34.14 2hfv s VAL 72 CO 0.09 0.00 1.88 1.57 -0.31 0.00 0.00 175.10 178.34 2hfv n HIS 73 N -1.12 2.45 -1.47 2.82 -0.00 -1.26 -2.34 115.22 114.31 2hfv n HIS 73 Ca -0.12 -0.14 -0.34 0.00 0.46 0.00 0.00 57.72 57.57 2hfv n HIS 73 Cb 0.67 -2.72 0.09 0.00 -0.12 0.00 0.00 29.99 27.91 2hfv n HIS 73 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2hfv s GLU 74 N 3.69 2.20 0.00 1.57 2.02 -1.26 -2.03 118.70 124.89 2hfv s GLU 74 Ca 0.88 1.75 0.00 0.00 0.02 0.00 0.00 54.97 57.62 2hfv s GLU 74 Cb -0.56 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2hfv s GLU 74 CO 0.44 -1.79 0.00 -3.47 0.02 0.00 0.00 175.26 170.47 2hfv n ASP 75 N -2.66 0.00 -1.37 -0.19 -0.08 -1.26 -4.77 116.55 106.22 2hfv n ASP 75 Ca 0.13 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.49 2hfv n ASP 75 Cb 0.50 -0.04 0.32 0.00 2.34 0.00 0.00 41.12 44.24 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 0.00 4.58 -0.00 1.67 -0.08 -0.86 -4.57 116.55 117.28 2hfv n ASP 76 Ca 0.00 -2.67 -0.11 0.00 -1.51 0.00 0.00 54.79 50.50 2hfv n ASP 76 Cb 0.00 -0.56 -0.06 0.00 2.34 0.00 0.00 41.12 42.85 2hfv n ASP 76 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2hfv h LEU 77 N 3.23 0.10 -2.01 -2.67 -0.00 -1.86 0.92 115.31 113.03 2hfv h LEU 77 Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2hfv h LEU 77 Cb 1.50 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 42.13 2hfv h LEU 77 CO 0.27 0.12 -0.07 0.00 -0.00 0.00 0.00 178.44 178.76 2hfv h ALA 78 N 0.99 1.14 0.00 1.53 0.00 -1.96 -2.10 119.26 118.85 2hfv h ALA 78 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2hfv h ALA 78 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2hfv h ALA 78 CO -0.01 0.08 -0.37 0.78 0.00 0.00 0.00 179.25 179.74 2hfv h GLY 79 N 1.02 0.00 0.99 0.00 0.00 -1.68 -3.25 103.07 100.14 2hfv h GLY 79 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2hfv h GLY 79 CO 0.01 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.85 2hfv h ALA 80 N -0.70 0.67 -0.56 3.60 0.00 -0.82 -0.65 119.26 120.80 2hfv h ALA 80 Ca -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2hfv h ALA 80 Cb 0.59 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2hfv h ALA 80 CO -0.04 0.17 0.18 0.00 0.00 0.00 0.00 179.25 179.56 2hfv h ARG 81 N 0.70 0.84 -0.28 0.00 3.08 -1.58 -2.25 114.38 114.88 2hfv h ARG 81 Ca 0.19 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2hfv h ARG 81 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2hfv h ARG 81 CO -0.03 0.72 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.36 2hfv h ARG 82 N 0.82 0.60 -0.20 0.04 9.65 -1.46 -2.15 114.38 121.68 2hfv h ARG 82 Ca 0.19 -0.26 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 2hfv h ARG 82 Cb 0.23 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 2hfv h ARG 82 CO -0.01 0.83 -0.04 1.25 2.80 0.00 0.00 179.97 184.80 2hfv h LEU 83 N 0.34 -0.16 -1.34 3.80 5.85 -0.75 0.32 115.31 123.38 2hfv h LEU 83 Ca 0.06 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2hfv h LEU 83 Cb 0.65 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2hfv h LEU 83 CO 0.04 -0.05 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.70 2hfv h LEU 84 N 0.01 0.00 0.25 2.25 4.07 -1.41 -1.30 115.31 119.18 2hfv h LEU 84 Ca 0.09 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.71 2hfv h LEU 84 Cb 0.14 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.91 2hfv h LEU 84 CO -0.19 0.32 -1.54 0.74 -1.08 0.00 0.00 178.44 176.68 2hfv h THR 85 N 0.00 1.21 -0.08 0.22 2.02 -0.66 -1.12 112.91 114.50 2hfv h THR 85 Ca -0.00 -2.66 -0.18 0.00 0.77 0.00 0.00 66.41 64.33 2hfv h THR 85 Cb 0.63 2.99 0.01 0.00 -1.74 0.00 0.00 68.15 70.04 2hfv h THR 85 CO 0.04 0.82 -0.67 -0.78 0.37 0.00 0.00 175.52 175.30 2hfv h ASP 86 N 0.14 0.73 -1.38 4.18 3.58 -0.26 -3.42 116.42 119.99 2hfv h ASP 86 Ca -0.28 -0.67 -0.24 0.00 0.42 0.00 0.00 57.03 56.26 2hfv h ASP 86 Cb 2.16 -0.22 -0.23 0.00 1.72 0.00 0.00 39.33 42.77 2hfv h ASP 86 CO 0.26 1.29 -0.59 0.00 -2.88 0.00 0.00 179.24 177.32 2hfv s ALA 87 N -3.56 -1.32 0.00 -0.78 0.00 -0.50 -5.05 121.76 110.54 2hfv s ALA 87 Ca -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2hfv s ALA 87 Cb 0.06 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2hfv s ALA 87 CO 0.86 -2.18 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2hfv n GLY 88 N 3.45 -1.31 2.55 0.00 0.00 -1.11 -4.61 105.19 104.15 2hfv n GLY 88 Ca 0.17 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.82 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 -1.12 -4.56 0.99 -0.00 -0.46 -5.03 117.00 106.82 2hfv n LEU 89 Ca 0.00 -1.93 -0.30 0.00 -0.00 0.00 0.00 56.01 53.78 2hfv n LEU 89 Cb 0.00 0.76 -0.04 0.00 -0.00 0.00 0.00 43.42 44.13 2hfv n LEU 89 CO 0.00 1.22 1.45 0.00 -0.00 0.00 0.00 177.39 180.06 2hfv s ALA 90 N 0.05 1.74 0.00 1.47 0.00 -0.98 -4.14 121.76 119.90 2hfv s ALA 90 Ca 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2hfv s ALA 90 Cb 0.10 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2hfv s ALA 90 CO -0.02 -4.60 0.00 1.58 0.00 0.00 0.00 175.76 172.72 2hfv n HIS 91 N 14.09 -1.10 1.65 0.00 -0.00 -1.26 -4.88 115.22 123.72 2hfv n HIS 91 Ca 0.34 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.19 2hfv n HIS 91 Cb 0.49 0.40 0.79 0.00 -0.00 0.00 0.00 29.99 31.66 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 -2.29 0.81 -2.11 1.57 4.71 -1.26 -4.83 120.64 117.24 2hfv n GLU 92 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 2hfv n GLU 92 Cb 0.00 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 28.91 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 -2.03 4.39 -0.10 -4.62 1.43 -1.26 -3.25 118.68 113.25 2hfv s LEU 93 Ca 0.39 2.67 -0.04 0.00 -1.03 0.00 0.00 54.13 56.13 2hfv s LEU 93 Cb 0.18 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2hfv s LEU 93 CO 0.31 -0.58 0.05 -0.60 0.23 0.00 0.00 176.35 175.77 2hfv s ARG 94 N -1.87 3.14 0.80 1.70 3.52 -0.23 -4.96 118.95 121.05 2hfv s ARG 94 Ca 0.50 -0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 55.68 2hfv s ARG 94 Cb -0.39 -2.93 0.07 0.00 -1.56 0.00 0.00 34.95 30.14 2hfv s ARG 94 CO 0.52 0.73 1.09 -1.12 -0.81 0.00 0.00 175.30 175.70 2hfv s SER 95 N -0.92 4.38 -0.44 -2.12 0.01 -1.26 -4.88 113.70 108.47 2hfv s SER 95 Ca 0.14 1.57 -0.07 0.00 1.31 0.00 0.00 55.95 58.89 2hfv s SER 95 Cb -0.12 -2.30 -0.22 0.00 0.21 0.00 0.00 66.02 63.59 2hfv s SER 95 CO 0.03 -2.08 3.44 0.47 0.41 0.00 0.00 173.24 175.52 2hfv n ASP 96 N -3.53 6.19 0.00 2.44 8.00 -1.26 -5.13 116.55 123.26 2hfv n ASP 96 Ca 0.08 -2.51 0.00 0.00 0.71 0.00 0.00 54.79 53.06 2hfv n ASP 96 Cb 0.54 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14