#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 -1.47 1.51 3.03 0.00 -1.26 -5.00 105.19 102.01 2hfv n GLY 2 Ca 0.00 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 46.84 2hfv n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hfv n SER 3 N 1.56 3.64 -4.54 1.61 7.64 -1.26 -4.97 113.62 117.30 2hfv n SER 3 Ca 0.03 -3.44 -0.42 0.00 1.01 0.00 0.00 58.87 56.05 2hfv n SER 3 Cb 0.69 -0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 63.14 2hfv n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hfv s SER 4 N -1.80 6.35 -0.24 6.43 0.01 -1.26 -5.02 113.70 118.17 2hfv s SER 4 Ca 0.49 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.61 2hfv s SER 4 Cb 0.41 -2.31 0.04 0.00 0.21 0.00 0.00 66.02 64.38 2hfv s SER 4 CO 0.07 -0.66 -0.12 -1.00 0.41 0.00 0.00 173.24 171.95 2hfv s HIS 5 N 2.68 3.12 -0.28 2.43 4.02 -1.26 -5.09 115.29 120.91 2hfv s HIS 5 Ca 0.22 -2.01 -0.05 0.00 1.02 0.00 0.00 55.06 54.24 2hfv s HIS 5 Cb -0.15 -1.96 0.01 0.00 -1.02 0.00 0.00 32.58 29.47 2hfv s HIS 5 CO 0.16 -0.83 0.03 -3.38 1.02 0.00 0.00 174.74 171.74 2hfv s HIS 6 N 1.19 3.11 -0.17 1.40 0.00 -1.26 -5.07 115.29 114.50 2hfv s HIS 6 Ca -0.04 -1.14 -0.12 0.00 -3.00 0.00 0.00 55.06 50.76 2hfv s HIS 6 Cb -0.18 -2.19 0.05 0.00 -4.00 0.00 0.00 32.58 26.27 2hfv s HIS 6 CO -0.07 -0.62 0.42 -3.38 -1.00 0.00 0.00 174.74 170.10 2hfv s HIS 7 N 1.45 -0.54 -0.18 0.38 0.00 -1.26 -5.15 115.29 109.99 2hfv s HIS 7 Ca 0.02 1.23 -0.07 0.00 -3.00 0.00 0.00 55.06 53.24 2hfv s HIS 7 Cb -0.17 0.22 0.07 0.00 -4.00 0.00 0.00 32.58 28.71 2hfv s HIS 7 CO 0.00 -0.29 0.39 -3.38 -1.00 0.00 0.00 174.74 170.46 2hfv s HIS 8 N 0.85 -0.66 -0.40 0.38 0.00 -1.26 -5.11 115.29 109.09 2hfv s HIS 8 Ca -0.05 1.34 0.05 0.00 -3.00 0.00 0.00 55.06 53.40 2hfv s HIS 8 Cb -0.06 0.23 0.17 0.00 -4.00 0.00 0.00 32.58 28.92 2hfv s HIS 8 CO -0.07 -0.41 0.47 -1.58 -1.00 0.00 0.00 174.74 172.16 2hfv s HIS 9 N 2.14 -0.70 -0.28 0.38 5.65 -1.26 -5.11 115.29 116.10 2hfv s HIS 9 Ca -0.04 -0.63 -0.20 0.00 0.25 0.00 0.00 55.06 54.45 2hfv s HIS 9 Cb -0.11 -0.18 0.10 0.00 -1.18 0.00 0.00 32.58 31.21 2hfv s HIS 9 CO -0.12 -1.04 0.85 -3.38 -0.65 0.00 0.00 174.74 170.39 2hfv s HIS 10 N 1.39 -0.75 -0.28 3.88 -0.00 -1.26 -5.16 115.29 113.11 2hfv s HIS 10 Ca 0.19 1.62 -0.02 0.00 -0.00 0.00 0.00 55.06 56.85 2hfv s HIS 10 Cb -0.10 0.43 0.17 0.00 -0.00 0.00 0.00 32.58 33.08 2hfv s HIS 10 CO -0.05 -0.37 0.54 -1.12 -0.00 0.00 0.00 174.74 173.75 2hfv s SER 11 N 1.01 -0.94 -0.22 7.38 0.01 -1.26 -5.15 113.70 114.53 2hfv s SER 11 Ca -0.05 0.75 -0.27 0.00 1.31 0.00 0.00 55.95 57.69 2hfv s SER 11 Cb -0.05 1.89 0.11 0.00 0.21 0.00 0.00 66.02 68.19 2hfv s SER 11 CO -0.12 -0.27 0.94 -0.94 0.41 0.00 0.00 173.24 173.27 2hfv s SER 12 N 2.78 -0.49 0.00 2.44 1.04 -1.26 -5.15 113.70 113.05 2hfv s SER 12 Ca 0.17 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.41 2hfv s SER 12 Cb -0.15 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2hfv s SER 12 CO -0.19 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2hfv n GLY 13 N 1.75 2.16 0.74 7.32 0.00 -1.26 -5.11 105.19 110.79 2hfv n GLY 13 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -2.26 1.61 0.63 -1.26 -5.13 116.66 110.24 2hfv n ARG 14 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2hfv n ARG 14 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 2hfv n ARG 14 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2hfv s GLU 15 N -1.94 4.37 0.09 -0.14 2.02 -1.26 -5.03 118.70 116.81 2hfv s GLU 15 Ca 0.00 1.97 0.07 0.00 0.02 0.00 0.00 54.97 57.03 2hfv s GLU 15 Cb 0.00 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 2hfv s GLU 15 CO 0.00 -0.34 -0.19 0.54 0.02 0.00 0.00 175.26 175.29 2hfv s ASN 16 N 0.93 2.32 -0.16 -0.19 4.22 -1.26 -5.14 114.94 115.66 2hfv s ASN 16 Ca 0.61 -0.64 -0.04 0.00 -2.14 0.00 0.00 52.86 50.65 2hfv s ASN 16 Cb -0.34 -0.13 0.08 0.00 1.28 0.00 0.00 41.25 42.14 2hfv s ASN 16 CO 0.31 0.05 0.27 -0.76 -2.04 0.00 0.00 177.10 174.93 2hfv s LEU 17 N -1.74 -0.30 -0.24 3.54 1.43 -1.26 -5.13 118.68 114.97 2hfv s LEU 17 Ca 0.05 0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 2hfv s LEU 17 Cb -0.10 0.69 0.07 0.00 0.03 0.00 0.00 46.19 46.88 2hfv s LEU 17 CO 0.03 -0.27 0.63 -0.72 0.23 0.00 0.00 176.35 176.26 2hfv s TYR 18 N 2.42 -0.77 -0.07 0.29 1.13 -1.26 -5.16 117.35 113.93 2hfv s TYR 18 Ca 0.04 1.77 0.02 0.00 -1.41 0.00 0.00 57.07 57.48 2hfv s TYR 18 Cb -0.13 0.32 0.01 0.00 -1.10 0.00 0.00 41.96 41.06 2hfv s TYR 18 CO -0.10 -0.38 -0.11 -0.06 -2.51 0.00 0.00 175.55 172.39 2hfv s PHE 19 N 0.67 1.43 -0.08 -3.49 0.08 -1.26 -5.11 117.98 110.21 2hfv s PHE 19 Ca -0.03 -0.54 -0.20 0.00 0.12 0.00 0.00 56.93 56.28 2hfv s PHE 19 Cb -0.05 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 2hfv s PHE 19 CO -0.04 -0.30 0.56 -0.65 -0.10 0.00 0.00 175.22 174.69 2hfv s GLN 20 N 0.79 4.35 0.00 0.44 -0.21 -1.26 -4.43 119.66 119.34 2hfv s GLN 20 Ca -0.12 0.63 0.00 0.00 0.02 0.00 0.00 55.36 55.88 2hfv s GLN 20 Cb -0.15 -3.41 0.00 0.00 1.00 0.00 0.00 33.01 30.44 2hfv s GLN 20 CO 0.02 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 2hfv n GLY 21 N 3.02 -0.89 0.00 3.09 0.00 -1.26 -4.92 105.19 104.23 2hfv n GLY 21 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 6.83 0.00 -3.67 1.61 -0.00 -1.26 -4.83 115.22 113.90 2hfv n HIS 22 Ca 0.00 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.01 2hfv n HIS 22 Cb 0.00 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.71 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 -0.03 0.42 0.27 1.02 -1.26 -1.71 118.68 117.39 2hfv s LEU 23 Ca 0.00 0.33 0.07 0.00 0.02 0.00 0.00 54.13 54.55 2hfv s LEU 23 Cb 0.00 0.27 -0.04 0.00 0.02 0.00 0.00 46.19 46.44 2hfv s LEU 23 CO 0.00 -0.24 0.26 -0.13 0.02 0.00 0.00 176.35 176.26 2hfv s ARG 24 N 2.23 2.33 0.10 1.70 0.52 -1.25 -4.96 118.95 119.62 2hfv s ARG 24 Ca 0.02 -1.75 -0.28 0.00 -0.52 0.00 0.00 55.73 53.21 2hfv s ARG 24 Cb -0.12 -2.12 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 2hfv s ARG 24 CO -0.06 -0.16 0.88 -2.00 0.02 0.00 0.00 175.30 173.99 2hfv s GLU 25 N -4.00 4.63 -0.05 3.54 2.12 -1.26 -3.77 118.70 119.92 2hfv s GLU 25 Ca 0.43 1.31 -0.04 0.00 0.36 0.00 0.00 54.97 57.02 2hfv s GLU 25 Cb 0.01 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 2hfv s GLU 25 CO 0.24 0.27 -0.08 1.28 -0.54 0.00 0.00 175.26 176.42 2hfv n LEU 26 N 2.69 0.54 -3.98 2.70 7.99 -0.09 -3.72 117.00 123.12 2hfv n LEU 26 Ca 0.00 0.17 -0.08 0.00 -0.01 0.00 0.00 56.01 56.09 2hfv n LEU 26 Cb 0.49 -0.58 -0.09 0.00 -0.11 0.00 0.00 43.42 43.13 2hfv n LEU 26 CO 0.49 -0.45 -0.25 -1.48 -1.51 0.00 0.00 177.39 174.19 2hfv s LEU 27 N -5.74 2.01 -0.27 2.23 2.34 -1.21 -1.29 118.68 116.74 2hfv s LEU 27 Ca -0.07 -0.75 -0.03 0.00 0.06 0.00 0.00 54.13 53.34 2hfv s LEU 27 Cb 0.01 0.52 0.09 0.00 -0.56 0.00 0.00 46.19 46.25 2hfv s LEU 27 CO 0.10 -0.59 0.11 -0.60 -1.06 0.00 0.00 176.35 174.32 2hfv s ARG 28 N -3.38 0.31 0.42 1.48 3.52 -1.26 -1.22 118.95 118.82 2hfv s ARG 28 Ca 0.02 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.10 2hfv s ARG 28 Cb 0.04 -1.46 -0.05 0.00 -1.56 0.00 0.00 34.95 31.91 2hfv s ARG 28 CO -0.08 -0.95 0.19 -0.08 -0.81 0.00 0.00 175.30 173.57 2hfv s THR 29 N 1.99 2.30 -1.73 4.11 -1.32 -0.88 -4.93 115.64 115.18 2hfv s THR 29 Ca 0.08 -1.68 0.18 0.00 -1.21 0.00 0.00 61.69 59.05 2hfv s THR 29 Cb -0.16 -2.97 0.02 0.00 -1.51 0.00 0.00 72.50 67.88 2hfv s THR 29 CO -0.30 0.00 0.94 0.59 -2.21 0.00 0.00 174.62 173.64 2hfv n ASN 30 N -1.26 1.87 -4.80 8.08 5.03 -1.26 -2.91 115.26 120.01 2hfv n ASN 30 Ca -0.01 -1.44 -0.25 0.00 0.87 0.00 0.00 54.58 53.76 2hfv n ASN 30 Cb 0.64 0.38 -0.05 0.00 -1.02 0.00 0.00 39.78 39.73 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 -1.92 5.49 -0.00 6.41 2.15 -1.26 -4.93 116.67 122.60 2hfv s ASP 31 Ca 0.16 -0.19 0.06 0.00 0.43 0.00 0.00 52.55 53.01 2hfv s ASP 31 Cb 0.14 -1.41 -0.08 0.00 -0.30 0.00 0.00 42.92 41.28 2hfv s ASP 31 CO 0.40 0.03 0.18 0.00 -0.17 0.00 0.00 175.17 175.61 2hfv n ALA 32 N -0.63 2.46 -0.03 3.66 0.00 -1.26 -4.59 120.51 120.13 2hfv n ALA 32 Ca -0.08 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 2hfv n ALA 32 Cb 0.56 -0.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 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 1.46 -0.19 0.00 2.07 -2.02 -3.11 116.25 114.46 2hfv h VAL 33 Ca 0.00 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.12 2hfv h VAL 33 Cb 0.20 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2hfv h VAL 33 CO 0.00 0.37 0.13 0.25 0.02 0.00 0.00 177.57 178.34 2hfv h LEU 34 N -0.53 0.21 -1.68 2.57 5.85 -2.02 -1.36 115.31 118.35 2hfv h LEU 34 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2hfv h LEU 34 Cb 0.62 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 2hfv h LEU 34 CO 0.01 0.15 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.07 2hfv h LEU 35 N 0.24 0.00 -0.72 2.25 3.38 -1.79 -1.80 115.31 116.87 2hfv h LEU 35 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2hfv h LEU 35 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2hfv h LEU 35 CO -0.02 0.11 -0.26 0.28 0.09 0.00 0.00 178.44 178.65 2hfv h SER 36 N 0.00 0.72 -0.11 -0.43 0.02 -1.22 0.41 113.55 112.93 2hfv h SER 36 Ca -0.00 -0.27 -0.09 0.00 -0.84 0.00 0.00 61.79 60.59 2hfv h SER 36 Cb 0.47 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2hfv h SER 36 CO 0.01 0.95 -0.30 0.00 -1.14 0.00 0.00 176.83 176.35 2hfv h ALA 37 N 1.11 0.18 -0.56 3.77 0.00 -1.43 -2.46 119.26 119.88 2hfv h ALA 37 Ca 0.08 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2hfv h ALA 37 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2hfv h ALA 37 CO 0.06 0.21 0.19 0.28 0.00 0.00 0.00 179.25 179.99 2hfv h VAL 38 N -0.03 1.23 -0.69 0.00 2.07 -1.29 -2.78 116.25 114.77 2hfv h VAL 38 Ca -0.01 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2hfv h VAL 38 Cb 0.91 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2hfv h VAL 38 CO 0.06 0.29 0.37 1.23 0.02 0.00 0.00 177.57 179.55 2hfv h GLY 39 N 0.77 1.01 1.88 2.17 0.00 -0.21 -1.42 103.07 107.27 2hfv h GLY 39 Ca 0.18 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 2hfv h GLY 39 CO -0.01 0.43 -0.17 0.00 0.00 0.00 0.00 176.54 176.80 2hfv h ALA 40 N 1.45 1.55 0.05 3.60 0.00 -1.17 0.11 119.26 124.85 2hfv h ALA 40 Ca 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hfv h ALA 40 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hfv h ALA 40 CO -0.04 0.33 -0.02 -0.07 0.00 0.00 0.00 179.25 179.45 2hfv h LEU 41 N 0.14 -0.06 0.21 0.00 3.38 -1.04 0.95 115.31 118.89 2hfv h LEU 41 Ca 0.03 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2hfv h LEU 41 Cb 0.39 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2hfv h LEU 41 CO 0.02 0.45 -0.15 -0.07 0.09 0.00 0.00 178.44 178.78 2hfv h LEU 42 N -0.59 -0.40 -0.92 1.67 3.38 -1.06 -2.61 115.31 114.79 2hfv h LEU 42 Ca -0.01 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2hfv h LEU 42 Cb 0.52 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2hfv h LEU 42 CO 0.01 -0.24 -0.29 -0.78 0.09 0.00 0.00 178.44 177.23 2hfv h ASP 43 N -0.37 0.45 0.43 -0.43 3.58 -0.88 -0.79 116.42 118.42 2hfv h ASP 43 Ca -0.01 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2hfv h ASP 43 Cb 0.32 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2hfv h ASP 43 CO -0.01 0.73 0.00 1.23 -2.88 0.00 0.00 179.24 178.32 2hfv h GLY 44 N 1.05 0.00 0.00 -0.78 0.00 -0.53 -3.26 103.07 99.55 2hfv h GLY 44 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2hfv h GLY 44 CO 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 176.17 2hfv n ALA 45 N -1.80 0.49 0.00 3.60 0.00 -0.96 -5.03 120.51 116.80 2hfv n ALA 45 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2hfv n ALA 45 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.35 0.00 -4.47 0.00 2.03 -0.60 -5.12 116.55 105.04 2hfv n ASP 46 Ca -0.06 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 54.79 2hfv n ASP 46 Cb 0.22 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.55 2hfv n ASP 46 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2hfv n ILE 47 N 0.00 0.10 -1.70 5.18 5.41 -0.40 -4.85 119.36 123.10 2hfv n ILE 47 Ca 0.00 -0.33 -0.43 0.00 1.00 0.00 0.00 62.75 63.00 2hfv n ILE 47 Cb 0.00 -1.70 -0.03 0.00 -0.71 0.00 0.00 39.64 37.21 2hfv n ILE 47 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2hfv s GLY 48 N 8.58 0.93 -0.07 7.39 0.00 -1.26 -4.45 107.32 118.44 2hfv s GLY 48 Ca 1.11 0.92 0.03 0.00 0.00 0.00 0.00 44.72 46.78 2hfv s GLY 48 CO 0.44 3.57 -0.14 -2.38 0.00 0.00 0.00 173.10 174.60 2hfv s HIS 49 N 6.54 1.62 -0.34 1.90 -3.43 -1.26 -3.38 115.29 116.95 2hfv s HIS 49 Ca 0.92 -0.60 -0.09 0.00 -0.80 0.00 0.00 55.06 54.49 2hfv s HIS 49 Cb -0.35 -1.16 0.02 0.00 -1.43 0.00 0.00 32.58 29.66 2hfv s HIS 49 CO 0.37 -0.29 0.14 -0.51 -2.00 0.00 0.00 174.74 172.45 2hfv s LEU 50 N 0.57 4.31 -0.51 5.38 1.02 0.51 -4.98 118.68 124.96 2hfv s LEU 50 Ca -0.14 -0.88 -0.19 0.00 0.02 0.00 0.00 54.13 52.94 2hfv s LEU 50 Cb -0.16 -1.95 0.07 0.00 0.02 0.00 0.00 46.19 44.17 2hfv s LEU 50 CO 0.04 -0.29 0.61 0.68 0.02 0.00 0.00 176.35 177.41 2hfv s VAL 51 N 1.51 4.91 -0.23 -1.59 -7.23 -1.26 -2.36 120.40 114.15 2hfv s VAL 51 Ca 0.02 -0.63 -0.09 0.00 -1.81 0.00 0.00 61.98 59.47 2hfv s VAL 51 Cb -0.18 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.41 2hfv s VAL 51 CO 0.05 -0.82 0.12 -0.22 -0.31 0.00 0.00 175.10 173.91 2hfv s LEU 52 N 2.52 3.89 0.10 1.32 0.20 -0.64 -4.94 118.68 121.13 2hfv s LEU 52 Ca 0.13 0.03 0.06 0.00 0.69 0.00 0.00 54.13 55.04 2hfv s LEU 52 Cb -0.20 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2hfv s LEU 52 CO 0.10 0.06 -0.15 1.51 -0.29 0.00 0.00 176.35 177.59 2hfv s ASP 53 N 1.05 1.94 -0.08 3.68 1.47 -1.26 -1.45 116.67 122.02 2hfv s ASP 53 Ca 0.06 -0.72 0.18 0.00 1.18 0.00 0.00 52.55 53.25 2hfv s ASP 53 Cb -0.14 -0.07 0.38 0.00 -0.34 0.00 0.00 42.92 42.75 2hfv s ASP 53 CO 0.04 -0.10 1.17 0.00 0.68 0.00 0.00 175.17 176.97 2hfv n GLN 54 N 0.88 0.63 -2.32 2.11 6.02 -0.24 -5.01 117.38 119.45 2hfv n GLN 54 Ca -0.18 -2.40 -0.41 0.00 -0.01 0.00 0.00 57.00 54.00 2hfv n GLN 54 Cb 0.55 -0.70 -0.03 0.00 1.02 0.00 0.00 30.24 31.09 2hfv n GLN 54 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2hfv s ASN 55 N -2.40 5.88 0.00 1.08 2.47 -1.24 -4.72 114.94 116.01 2hfv s ASN 55 Ca 0.32 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.73 2hfv s ASN 55 Cb 0.34 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.60 2hfv s ASN 55 CO -0.11 -1.94 0.14 0.23 -3.72 0.00 0.00 177.10 171.70 2hfv n MET 56 N 9.01 0.00 -3.68 0.43 2.81 -1.26 -4.84 117.12 119.59 2hfv n MET 56 Ca 0.12 0.27 -0.36 0.00 -1.81 0.00 0.00 57.70 55.93 2hfv n MET 56 Cb 0.50 -0.86 -0.08 0.00 -0.71 0.00 0.00 33.22 32.06 2hfv n MET 56 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2hfv s SER 57 N -2.07 6.21 -0.35 7.83 0.01 -1.26 -5.05 113.70 119.02 2hfv s SER 57 Ca 0.00 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.51 2hfv s SER 57 Cb 0.00 -2.11 0.10 0.00 0.21 0.00 0.00 66.02 64.22 2hfv s SER 57 CO 0.00 0.13 0.08 -0.51 0.41 0.00 0.00 173.24 173.35 2hfv s ILE 58 N 0.62 2.60 -0.10 1.44 2.07 -1.26 -4.70 121.20 121.87 2hfv s ILE 58 Ca 0.09 -2.18 0.10 0.00 -1.41 0.00 0.00 60.65 57.26 2hfv s ILE 58 Cb -0.12 -2.83 -0.24 0.00 0.13 0.00 0.00 42.46 39.40 2hfv s ILE 58 CO 0.01 -0.57 0.46 -0.11 -1.91 0.00 0.00 174.94 172.82 2hfv n LEU 59 N 4.38 1.07 0.00 8.50 7.94 -1.26 -4.87 117.00 132.75 2hfv n LEU 59 Ca 0.00 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2hfv n LEU 59 Cb 0.42 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2hfv n LEU 59 CO 0.25 0.51 0.00 1.21 -1.11 0.00 0.00 177.39 178.25 2hfv n GLU 60 N -3.06 0.00 0.08 1.96 0.00 -1.26 -5.05 120.64 113.32 2hfv n GLU 60 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.92 2hfv n GLU 60 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 31.44 32.49 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hfv n GLY 61 N -1.25 -0.88 0.68 8.31 0.00 -1.26 -5.18 105.19 105.61 2hfv n GLY 61 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.25 2hfv n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hfv n SER 62 N -2.88 -4.00 -4.43 1.61 7.64 -1.26 -4.65 113.62 105.65 2hfv n SER 62 Ca 0.00 0.55 -0.44 0.00 1.01 0.00 0.00 58.87 59.99 2hfv n SER 62 Cb 0.00 -2.26 -0.03 0.00 -1.01 0.00 0.00 64.21 60.91 2hfv n SER 62 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hfv s LEU 63 N -5.92 5.17 -0.71 -3.43 1.02 -1.26 -4.98 118.68 108.57 2hfv s LEU 63 Ca 0.00 -1.91 -0.26 0.00 0.02 0.00 0.00 54.13 51.97 2hfv s LEU 63 Cb 0.00 -2.37 0.00 0.00 0.02 0.00 0.00 46.19 43.84 2hfv s LEU 63 CO 0.00 -1.07 1.61 -0.83 0.02 0.00 0.00 176.35 176.08 2hfv s GLY 64 N 3.49 0.53 0.18 -3.19 0.00 -1.26 -4.84 107.32 102.23 2hfv s GLY 64 Ca 0.28 -1.09 -0.13 0.00 0.00 0.00 0.00 44.72 43.78 2hfv s GLY 64 CO -0.05 3.07 1.79 -2.08 0.00 0.00 0.00 173.10 175.83 2hfv h VAL 65 N 6.56 0.96 -3.52 1.40 2.07 -1.94 -3.23 116.25 118.55 2hfv h VAL 65 Ca -0.22 -0.18 -0.69 0.00 0.82 0.00 0.00 66.70 66.44 2hfv h VAL 65 Cb 1.10 0.40 -0.36 0.00 -1.52 0.00 0.00 31.29 30.91 2hfv h VAL 65 CO 1.26 0.09 -0.42 -0.63 0.02 0.00 0.00 177.57 177.89 2hfv s ILE 66 N -6.13 3.51 0.00 4.57 1.09 -1.26 -4.99 121.20 117.99 2hfv s ILE 66 Ca -0.13 -2.89 -0.02 0.00 -1.10 0.00 0.00 60.65 56.51 2hfv s ILE 66 Cb 0.14 -3.32 -0.01 0.00 -1.06 0.00 0.00 42.46 38.21 2hfv s ILE 66 CO 0.74 -0.84 0.73 -0.65 -0.10 0.00 0.00 174.94 174.81 2hfv h PRO 67 N 7.09 -0.06 -1.81 2.79 0.11 -1.81 -0.61 132.00 137.70 2hfv h PRO 67 Ca -0.04 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.11 2hfv h PRO 67 Cb 0.96 0.01 -0.22 0.00 0.11 0.00 0.00 31.00 31.86 2hfv h PRO 67 CO 0.71 -0.04 -0.23 1.03 -0.21 0.00 0.00 178.00 179.26 2hfv s ARG 68 N -2.55 0.52 -0.11 1.05 1.81 -1.14 -4.42 118.95 114.10 2hfv s ARG 68 Ca -0.01 1.20 0.01 0.00 -1.72 0.00 0.00 55.73 55.21 2hfv s ARG 68 Cb 0.00 0.61 -0.02 0.00 -0.45 0.00 0.00 34.95 35.09 2hfv s ARG 68 CO 0.03 -0.35 -0.13 -0.98 -0.68 0.00 0.00 175.30 173.18 2hfv s ARG 69 N 2.82 3.18 -0.25 3.54 1.70 -0.53 -2.06 118.95 127.35 2hfv s ARG 69 Ca 0.03 -0.68 -0.05 0.00 -0.47 0.00 0.00 55.73 54.56 2hfv s ARG 69 Cb -0.13 -2.58 -0.01 0.00 -0.57 0.00 0.00 34.95 31.66 2hfv s ARG 69 CO -0.18 0.32 0.02 0.08 -1.08 0.00 0.00 175.30 174.45 2hfv s VAL 70 N 0.08 3.73 0.03 4.99 1.01 -0.36 -1.63 120.40 128.27 2hfv s VAL 70 Ca -0.05 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2hfv s VAL 70 Cb -0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2hfv s VAL 70 CO 0.04 0.31 -0.19 -0.76 0.00 0.00 0.00 175.10 174.50 2hfv s LEU 71 N 1.51 2.15 0.27 3.92 1.02 -1.00 -0.91 118.68 125.64 2hfv s LEU 71 Ca 0.05 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 53.77 2hfv s LEU 71 Cb -0.15 -0.91 -0.06 0.00 0.02 0.00 0.00 46.19 45.09 2hfv s LEU 71 CO -0.00 0.15 -0.03 0.68 0.02 0.00 0.00 176.35 177.17 2hfv s VAL 72 N -0.76 1.40 0.19 -1.59 -7.23 -1.25 -0.37 120.40 110.79 2hfv s VAL 72 Ca 0.06 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 2hfv s VAL 72 Cb -0.08 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.31 2hfv s VAL 72 CO 0.01 -0.27 1.32 -1.38 -0.31 0.00 0.00 175.10 174.47 2hfv s HIS 73 N -3.17 3.26 0.56 2.82 -3.43 -1.22 -3.76 115.29 110.34 2hfv s HIS 73 Ca 0.30 1.19 0.30 0.00 -0.80 0.00 0.00 55.06 56.05 2hfv s HIS 73 Cb 0.05 -3.61 1.46 0.00 -1.43 0.00 0.00 32.58 29.05 2hfv s HIS 73 CO 0.11 -1.93 1.89 0.93 -2.00 0.00 0.00 174.74 173.74 2hfv h GLU 74 N 5.55 0.00 0.00 -0.38 4.39 -1.65 0.09 114.58 122.58 2hfv h GLU 74 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2hfv h GLU 74 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2hfv h GLU 74 CO 0.78 0.00 0.07 0.22 -1.16 0.00 0.00 179.01 178.92 2hfv h ASP 75 N 0.00 0.00 0.00 1.42 3.58 -1.85 -1.21 116.42 118.36 2hfv h ASP 75 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2hfv h ASP 75 Cb 1.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2hfv h ASP 75 CO -0.00 0.00 -0.09 -0.67 -2.88 0.00 0.00 179.24 175.59 2hfv n ASP 76 N -2.67 0.89 0.04 2.28 -0.08 -0.00 -4.83 116.55 112.18 2hfv n ASP 76 Ca -0.02 -1.76 -0.11 0.00 -1.51 0.00 0.00 54.79 51.39 2hfv n ASP 76 Cb 0.12 -0.10 -0.05 0.00 2.34 0.00 0.00 41.12 43.44 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 0.00 -0.27 -1.14 -2.67 7.12 -0.99 0.18 115.31 117.54 2hfv h LEU 77 Ca 0.00 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 2hfv h LEU 77 Cb 0.93 0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 41.16 2hfv h LEU 77 CO 0.00 -0.13 0.14 0.00 -0.13 0.00 0.00 178.44 178.32 2hfv h ALA 78 N 0.86 1.31 -0.04 1.25 0.00 -1.90 -1.81 119.26 118.94 2hfv h ALA 78 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2hfv h ALA 78 Cb 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hfv h ALA 78 CO -0.11 0.49 -0.21 0.78 0.00 0.00 0.00 179.25 180.20 2hfv h GLY 79 N 0.91 0.23 0.81 0.00 0.00 -1.77 -3.17 103.07 100.09 2hfv h GLY 79 Ca 0.17 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.20 2hfv h GLY 79 CO -0.01 0.29 0.34 0.00 0.00 0.00 0.00 176.54 177.17 2hfv h ALA 80 N 0.38 0.76 -0.10 3.60 0.00 -0.53 -2.01 119.26 121.36 2hfv h ALA 80 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hfv h ALA 80 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2hfv h ALA 80 CO 0.04 0.04 0.05 0.00 0.00 0.00 0.00 179.25 179.39 2hfv h ARG 81 N 0.66 0.11 -0.35 0.00 3.08 -1.41 -0.94 114.38 115.54 2hfv h ARG 81 Ca 0.24 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 2hfv h ARG 81 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2hfv h ARG 81 CO -0.13 0.08 -0.09 -0.09 -1.07 0.00 0.00 179.97 178.67 2hfv h ARG 82 N 0.12 0.59 -0.61 0.04 2.43 -1.48 -0.96 114.38 114.49 2hfv h ARG 82 Ca 0.04 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2hfv h ARG 82 Cb 0.00 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2hfv h ARG 82 CO -0.02 0.68 0.32 1.25 -1.51 0.00 0.00 179.97 180.68 2hfv h LEU 83 N 0.54 0.78 -1.21 3.80 5.85 -0.93 0.47 115.31 124.62 2hfv h LEU 83 Ca 0.10 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2hfv h LEU 83 Cb 0.49 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2hfv h LEU 83 CO 0.03 0.67 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.36 2hfv h LEU 84 N 0.84 0.00 0.01 2.25 4.07 -0.66 -1.55 115.31 120.27 2hfv h LEU 84 Ca 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 2hfv h LEU 84 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 2hfv h LEU 84 CO -0.03 0.37 -0.14 0.74 -1.08 0.00 0.00 178.44 178.30 2hfv h THR 85 N 0.00 1.64 -0.28 0.22 2.02 -0.56 0.47 112.91 116.42 2hfv h THR 85 Ca -0.00 -2.08 -0.07 0.00 0.77 0.00 0.00 66.41 65.02 2hfv h THR 85 Cb 0.72 3.02 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 2hfv h THR 85 CO 0.05 0.55 -0.11 -0.78 0.37 0.00 0.00 175.52 175.60 2hfv h ASP 86 N -0.73 0.58 0.00 4.18 3.58 0.02 -3.30 116.42 120.76 2hfv h ASP 86 Ca -0.02 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 2hfv h ASP 86 Cb 0.99 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.83 2hfv h ASP 86 CO 0.03 0.85 -0.50 0.00 -2.88 0.00 0.00 179.24 176.74 2hfv n ALA 87 N -2.42 3.26 -1.00 -0.78 0.00 -0.59 -4.89 120.51 114.08 2hfv n ALA 87 Ca -0.03 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.38 2hfv n ALA 87 Cb 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.93 -0.04 0.10 0.00 0.00 -0.99 -4.95 105.19 98.37 2hfv n GLY 88 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.90 -0.14 -1.68 0.99 -0.00 0.16 -4.98 117.00 110.45 2hfv n LEU 89 Ca 0.00 0.37 -0.21 0.00 -0.00 0.00 0.00 56.01 56.17 2hfv n LEU 89 Cb 0.00 0.48 -0.08 0.00 -0.00 0.00 0.00 43.42 43.81 2hfv n LEU 89 CO 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 177.39 177.19 2hfv n ALA 90 N -2.73 -0.35 -0.09 1.47 0.00 -1.11 -4.73 120.51 112.97 2hfv n ALA 90 Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 2hfv n ALA 90 Cb 0.00 -2.07 -0.16 0.00 0.00 0.00 0.00 19.45 17.22 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 -2.56 0.00 0.55 0.00 -0.00 -1.26 -4.19 115.22 107.77 2hfv n HIS 91 Ca -0.21 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.61 2hfv n HIS 91 Cb 0.69 -0.93 0.27 0.00 -0.00 0.00 0.00 29.99 30.01 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 -2.69 2.19 -2.39 1.57 4.71 -1.26 -4.93 120.64 117.84 2hfv n GLU 92 Ca -0.30 -1.81 -0.34 0.00 -0.01 0.00 0.00 57.16 54.70 2hfv n GLU 92 Cb 1.10 -1.44 -0.02 0.00 -1.01 0.00 0.00 31.44 30.07 2hfv n GLU 92 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2hfv s LEU 93 N -1.30 3.77 0.07 -4.62 1.02 -1.26 -4.30 118.68 112.05 2hfv s LEU 93 Ca 0.36 2.00 0.00 0.00 0.02 0.00 0.00 54.13 56.50 2hfv s LEU 93 Cb 0.20 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.84 2hfv s LEU 93 CO 0.27 -0.98 0.00 -1.14 0.02 0.00 0.00 176.35 174.52 2hfv n ARG 94 N -1.21 0.00 -0.77 1.70 0.63 -0.41 -4.92 116.66 111.67 2hfv n ARG 94 Ca 0.10 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.13 2hfv n ARG 94 Cb 0.52 -0.26 -0.04 0.00 0.45 0.00 0.00 32.46 33.12 2hfv n ARG 94 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2hfv n SER 95 N -3.09 -4.40 -0.00 6.15 7.64 -0.55 -4.81 113.62 114.56 2hfv n SER 95 Ca 0.00 0.66 0.04 0.00 1.01 0.00 0.00 58.87 60.58 2hfv n SER 95 Cb 0.00 -2.56 -0.05 0.00 -1.01 0.00 0.00 64.21 60.59 2hfv n SER 95 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2hfv n ASP 96 N -3.36 0.45 0.00 6.43 5.75 -1.24 -4.93 116.55 119.64 2hfv n ASP 96 Ca -0.03 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 2hfv n ASP 96 Cb 0.36 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42