#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 1.00 3.55 -5.12 0.00 -1.26 -5.06 105.19 98.31 2hfv n GLY 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 5.87 0.04 1.61 1.04 -1.26 -4.90 113.70 116.10 2hfv s SER 3 Ca 0.00 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 2hfv s SER 3 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2hfv s SER 3 CO 0.00 -2.00 0.07 -1.20 0.98 0.00 0.00 173.24 171.09 2hfv n SER 4 N 10.49 -0.20 0.00 7.02 7.64 -1.26 -4.95 113.62 132.36 2hfv n SER 4 Ca 0.09 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.76 2hfv n SER 4 Cb 0.50 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2hfv n SER 4 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2hfv n HIS 5 N -0.07 0.00 -2.42 1.43 -0.00 -1.26 -4.86 115.22 108.04 2hfv n HIS 5 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 2hfv n HIS 5 Cb 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.03 2hfv n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2hfv s HIS 6 N 0.00 2.40 -0.06 1.57 5.04 -1.26 -4.89 115.29 118.09 2hfv s HIS 6 Ca 0.00 -0.63 -0.01 0.00 -1.54 0.00 0.00 55.06 52.88 2hfv s HIS 6 Cb 0.00 -4.53 0.03 0.00 0.04 0.00 0.00 32.58 28.12 2hfv s HIS 6 CO 0.00 -1.80 0.00 -1.58 -2.34 0.00 0.00 174.74 169.02 2hfv s HIS 7 N 6.33 0.60 0.05 3.88 2.46 -1.26 -5.14 115.29 122.20 2hfv s HIS 7 Ca 0.55 -0.12 -0.17 0.00 0.47 0.00 0.00 55.06 55.79 2hfv s HIS 7 Cb -0.00 -0.73 0.03 0.00 -0.13 0.00 0.00 32.58 31.75 2hfv s HIS 7 CO -0.02 -0.28 0.38 -3.38 -2.47 0.00 0.00 174.74 168.97 2hfv s HIS 8 N 1.79 -0.22 -0.30 3.88 -0.00 -1.26 -5.14 115.29 114.04 2hfv s HIS 8 Ca 0.02 0.13 0.01 0.00 -0.00 0.00 0.00 55.06 55.23 2hfv s HIS 8 Cb -0.13 0.19 0.19 0.00 -0.00 0.00 0.00 32.58 32.83 2hfv s HIS 8 CO -0.04 -0.56 0.59 -1.58 -0.00 0.00 0.00 174.74 173.15 2hfv s HIS 9 N -2.58 -1.69 -0.41 0.38 2.46 -1.26 -5.09 115.29 107.09 2hfv s HIS 9 Ca -0.05 1.49 0.04 0.00 0.47 0.00 0.00 55.06 57.01 2hfv s HIS 9 Cb -0.01 0.48 0.17 0.00 -0.13 0.00 0.00 32.58 33.09 2hfv s HIS 9 CO -0.03 -0.95 0.33 -1.58 -2.47 0.00 0.00 174.74 170.04 2hfv s HIS 10 N 2.85 1.13 -0.80 3.88 5.04 -1.26 -5.06 115.29 121.06 2hfv s HIS 10 Ca 0.17 -2.30 -0.15 0.00 -1.54 0.00 0.00 55.06 51.24 2hfv s HIS 10 Cb -0.13 -0.97 0.20 0.00 0.04 0.00 0.00 32.58 31.72 2hfv s HIS 10 CO -0.23 -0.82 0.78 -1.54 -2.34 0.00 0.00 174.74 170.59 2hfv s SER 11 N 0.10 6.68 -0.19 9.88 1.04 -1.26 -4.99 113.70 124.95 2hfv s SER 11 Ca 0.31 -2.49 -0.02 0.00 0.48 0.00 0.00 55.95 54.23 2hfv s SER 11 Cb 0.01 -2.23 0.06 0.00 0.10 0.00 0.00 66.02 63.96 2hfv s SER 11 CO -0.18 -0.67 0.01 -0.94 0.98 0.00 0.00 173.24 172.44 2hfv s SER 12 N 2.51 3.01 0.00 7.02 1.04 -1.26 -5.07 113.70 120.95 2hfv s SER 12 Ca 0.18 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2hfv s SER 12 Cb -0.12 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.28 2hfv s SER 12 CO -0.07 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2hfv n GLY 13 N 4.97 4.26 0.01 7.32 0.00 -1.26 -5.07 105.19 115.43 2hfv n GLY 13 Ca -0.10 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 2hfv n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hfv n ARG 14 N -0.25 1.02 -3.43 1.61 1.85 -1.26 -4.96 116.66 111.24 2hfv n ARG 14 Ca 0.00 0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 2hfv n ARG 14 Cb 0.00 -1.04 -0.10 0.00 -1.05 0.00 0.00 32.46 30.27 2hfv n ARG 14 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2hfv s GLU 15 N -2.04 2.99 -0.05 2.89 2.12 -1.26 -4.72 118.70 118.63 2hfv s GLU 15 Ca -0.02 -0.99 0.02 0.00 0.36 0.00 0.00 54.97 54.34 2hfv s GLU 15 Cb 0.01 -3.99 0.06 0.00 0.26 0.00 0.00 34.13 30.47 2hfv s GLU 15 CO 0.05 -0.79 1.07 0.27 -0.54 0.00 0.00 175.26 175.32 2hfv n ASN 16 N 5.25 -1.05 -4.56 -1.70 0.23 -1.26 -5.11 115.26 107.06 2hfv n ASN 16 Ca -0.10 -1.99 -0.41 0.00 -0.53 0.00 0.00 54.58 51.54 2hfv n ASN 16 Cb 0.47 0.35 -0.03 0.00 -2.08 0.00 0.00 39.78 38.49 2hfv n ASN 16 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2hfv s LEU 17 N -0.65 3.27 -0.02 -4.53 1.43 -1.26 -4.98 118.68 111.95 2hfv s LEU 17 Ca 0.01 -0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 2hfv s LEU 17 Cb 0.07 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2hfv s LEU 17 CO -0.02 -1.77 -0.23 -0.31 0.23 0.00 0.00 176.35 174.24 2hfv s TYR 18 N 5.84 2.10 0.06 0.29 2.02 -1.26 -5.06 117.35 121.34 2hfv s TYR 18 Ca 0.42 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.49 2hfv s TYR 18 Cb -0.09 -1.36 -0.11 0.00 -0.40 0.00 0.00 41.96 40.00 2hfv s TYR 18 CO 0.19 -0.06 1.44 0.74 -1.57 0.00 0.00 175.55 176.29 2hfv h PHE 19 N 5.64 0.43 -3.30 2.71 0.04 -2.05 -3.37 116.94 117.04 2hfv h PHE 19 Ca -0.40 -0.10 -0.73 0.00 2.80 0.00 0.00 57.97 59.55 2hfv h PHE 19 Cb 1.14 -0.10 -0.29 0.00 2.20 0.00 0.00 35.95 38.89 2hfv h PHE 19 CO 0.40 0.65 -0.39 -1.14 -0.60 0.00 0.00 178.31 177.23 2hfv s GLN 20 N -4.69 2.54 0.00 1.51 -0.44 -1.26 -4.92 119.66 112.39 2hfv s GLN 20 Ca -0.14 -1.72 0.24 0.00 -2.50 0.00 0.00 55.36 51.24 2hfv s GLN 20 Cb 0.06 -3.94 0.46 0.00 -1.64 0.00 0.00 33.01 27.95 2hfv s GLN 20 CO 0.75 -1.18 1.41 0.41 0.50 0.00 0.00 175.29 177.18 2hfv n GLY 21 N 4.94 0.94 1.25 2.59 0.00 -1.26 -4.02 105.19 109.63 2hfv n GLY 21 Ca -0.09 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 1.07 0.94 -0.72 1.61 -0.00 -1.26 -5.05 115.22 111.82 2hfv n HIS 22 Ca 0.17 -0.45 0.00 0.00 -0.00 0.00 0.00 57.72 57.43 2hfv n HIS 22 Cb 0.53 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 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 1.38 -0.87 -4.62 0.27 4.32 -1.26 -4.98 117.00 111.24 2hfv n LEU 23 Ca 0.22 1.31 -0.32 0.00 -0.02 0.00 0.00 56.01 57.21 2hfv n LEU 23 Cb 0.59 -0.88 -0.10 0.00 -1.62 0.00 0.00 43.42 41.41 2hfv n LEU 23 CO 0.16 -0.30 -0.37 -0.13 -1.22 0.00 0.00 177.39 175.53 2hfv s ARG 24 N -4.68 2.55 -0.34 3.23 0.52 -0.01 -4.80 118.95 115.43 2hfv s ARG 24 Ca 0.00 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 2hfv s ARG 24 Cb 0.00 -2.52 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 2hfv s ARG 24 CO 0.00 0.59 1.62 -2.00 0.02 0.00 0.00 175.30 175.53 2hfv s GLU 25 N -1.60 3.52 -0.23 3.54 2.12 -1.26 -0.53 118.70 124.25 2hfv s GLU 25 Ca 0.19 1.30 0.04 0.00 0.36 0.00 0.00 54.97 56.85 2hfv s GLU 25 Cb -0.11 -4.10 -0.19 0.00 0.26 0.00 0.00 34.13 29.98 2hfv s GLU 25 CO 0.10 -1.64 -0.11 -0.11 -0.54 0.00 0.00 175.26 172.96 2hfv n LEU 26 N 9.38 2.44 -3.91 2.70 7.94 0.00 -4.66 117.00 130.89 2hfv n LEU 26 Ca 0.20 -0.07 -0.10 0.00 -1.11 0.00 0.00 56.01 54.92 2hfv n LEU 26 Cb 0.47 -0.69 -0.11 0.00 0.53 0.00 0.00 43.42 43.62 2hfv n LEU 26 CO 0.68 0.85 -0.26 -1.48 -1.11 0.00 0.00 177.39 176.08 2hfv s LEU 27 N -6.40 1.84 -0.24 -1.96 2.34 -1.03 -0.12 118.68 113.11 2hfv s LEU 27 Ca -0.29 -0.28 -0.04 0.00 0.06 0.00 0.00 54.13 53.58 2hfv s LEU 27 Cb 0.08 0.40 0.08 0.00 -0.56 0.00 0.00 46.19 46.19 2hfv s LEU 27 CO 0.66 -0.30 0.10 -0.60 -1.06 0.00 0.00 176.35 175.15 2hfv s ARG 28 N -1.25 0.25 0.47 1.48 3.52 -0.11 -0.13 118.95 123.18 2hfv s ARG 28 Ca -0.14 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 2hfv s ARG 28 Cb -0.08 -1.58 -0.03 0.00 -1.56 0.00 0.00 34.95 31.70 2hfv s ARG 28 CO 0.00 -0.85 0.02 -0.08 -0.81 0.00 0.00 175.30 173.58 2hfv s THR 29 N 2.04 1.34 -0.05 4.11 -1.32 -0.66 -4.86 115.64 116.24 2hfv s THR 29 Ca 0.06 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.60 2hfv s THR 29 Cb -0.16 -2.42 0.11 0.00 -1.51 0.00 0.00 72.50 68.51 2hfv s THR 29 CO -0.23 0.00 0.99 -0.46 -2.21 0.00 0.00 174.62 172.71 2hfv n ASN 30 N -1.17 1.09 -4.00 8.08 0.23 -1.26 -2.30 115.26 115.93 2hfv n ASN 30 Ca -0.14 -2.27 -0.26 0.00 -0.53 0.00 0.00 54.58 51.38 2hfv n ASN 30 Cb 0.67 -0.23 -0.17 0.00 -2.08 0.00 0.00 39.78 37.97 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2hfv s ASP 31 N -1.56 1.99 0.29 0.53 2.15 -1.26 -4.82 116.67 113.99 2hfv s ASP 31 Ca 0.12 -0.32 0.15 0.00 0.43 0.00 0.00 52.55 52.92 2hfv s ASP 31 Cb 0.10 -0.88 0.25 0.00 -0.30 0.00 0.00 42.92 42.10 2hfv s ASP 31 CO 0.01 -0.01 1.53 0.00 -0.17 0.00 0.00 175.17 176.53 2hfv h ALA 32 N 7.36 0.75 -0.19 3.66 0.00 -1.96 -2.61 119.26 126.28 2hfv h ALA 32 Ca -0.31 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.05 2hfv h ALA 32 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2hfv h ALA 32 CO 0.46 0.68 -0.11 0.28 0.00 0.00 0.00 179.25 180.56 2hfv h VAL 33 N 0.00 1.32 -0.77 0.00 2.07 -2.00 -1.39 116.25 115.47 2hfv h VAL 33 Ca -0.01 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 2hfv h VAL 33 Cb 1.26 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 2hfv h VAL 33 CO 0.07 0.36 0.38 0.25 0.02 0.00 0.00 177.57 178.65 2hfv h LEU 34 N 0.09 1.00 -1.24 2.57 5.85 -2.00 -2.06 115.31 119.52 2hfv h LEU 34 Ca 0.04 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2hfv h LEU 34 Cb 0.61 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2hfv h LEU 34 CO 0.03 0.84 0.53 -0.07 -0.34 0.00 0.00 178.44 179.44 2hfv h LEU 35 N 1.10 0.84 -0.93 2.25 3.38 -1.23 0.10 115.31 120.82 2hfv h LEU 35 Ca 0.27 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 2hfv h LEU 35 Cb 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2hfv h LEU 35 CO -0.03 0.57 0.02 0.28 0.09 0.00 0.00 178.44 179.36 2hfv h SER 36 N 0.97 0.77 0.13 -0.43 0.02 -0.55 0.74 113.55 115.19 2hfv h SER 36 Ca 0.33 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2hfv h SER 36 Cb 0.10 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2hfv h SER 36 CO -0.11 0.82 -0.06 0.00 -1.14 0.00 0.00 176.83 176.34 2hfv h ALA 37 N 1.27 -0.18 -0.85 3.77 0.00 -0.95 -2.95 119.26 119.36 2hfv h ALA 37 Ca 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2hfv h ALA 37 Cb 0.43 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2hfv h ALA 37 CO 0.02 -0.26 0.53 0.28 0.00 0.00 0.00 179.25 179.82 2hfv h VAL 38 N -0.87 1.23 0.15 0.00 2.07 -0.84 -1.93 116.25 116.06 2hfv h VAL 38 Ca -0.02 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2hfv h VAL 38 Cb 0.54 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2hfv h VAL 38 CO 0.03 0.24 -0.07 1.23 0.02 0.00 0.00 177.57 179.02 2hfv h GLY 39 N 1.18 -0.20 1.88 2.17 0.00 -0.94 -1.26 103.07 105.90 2hfv h GLY 39 Ca 0.31 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 2hfv h GLY 39 CO -0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 176.54 176.26 2hfv h ALA 40 N 0.62 1.59 0.16 3.60 0.00 -1.32 0.18 119.26 124.09 2hfv h ALA 40 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2hfv h ALA 40 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2hfv h ALA 40 CO 0.03 0.30 -0.07 -0.07 0.00 0.00 0.00 179.25 179.44 2hfv h LEU 41 N 0.14 -0.18 -0.40 0.00 3.38 -1.00 0.21 115.31 117.47 2hfv h LEU 41 Ca 0.03 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 2hfv h LEU 41 Cb 0.34 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2hfv h LEU 41 CO 0.02 0.13 -0.47 -0.07 0.09 0.00 0.00 178.44 178.14 2hfv h LEU 42 N -0.49 0.91 -0.75 1.67 3.38 -0.97 -1.55 115.31 117.51 2hfv h LEU 42 Ca -0.02 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 2hfv h LEU 42 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2hfv h LEU 42 CO 0.04 1.23 -0.24 -0.78 0.09 0.00 0.00 178.44 178.78 2hfv h ASP 43 N 0.66 0.70 1.48 -0.43 3.58 -0.67 -0.05 116.42 121.69 2hfv h ASP 43 Ca 0.03 -0.25 -0.08 0.00 0.42 0.00 0.00 57.03 57.15 2hfv h ASP 43 Cb 1.06 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2hfv h ASP 43 CO 0.11 0.92 -0.40 1.23 -2.88 0.00 0.00 179.24 178.22 2hfv h GLY 44 N 0.98 0.00 -1.17 -0.78 0.00 -0.85 -3.19 103.07 98.07 2hfv h GLY 44 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2hfv h GLY 44 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 2hfv n ALA 45 N -2.21 2.48 -1.49 3.60 0.00 -0.59 -4.89 120.51 117.41 2hfv n ALA 45 Ca 0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2hfv n ALA 45 Cb 0.67 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 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 0.53 -4.54 -4.70 0.00 2.03 -1.13 -4.97 116.55 103.76 2hfv n ASP 46 Ca 0.15 0.29 -0.41 0.00 0.52 0.00 0.00 54.79 55.34 2hfv n ASP 46 Cb 0.35 -3.26 -0.04 0.00 -0.72 0.00 0.00 41.12 37.45 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 -2.51 4.93 -0.20 5.18 1.01 -0.05 -4.98 121.20 124.57 2hfv s ILE 47 Ca 0.00 1.76 -0.29 0.00 0.00 0.00 0.00 60.65 62.12 2hfv s ILE 47 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2hfv s ILE 47 CO 0.00 0.16 1.87 -0.83 0.00 0.00 0.00 174.94 176.13 2hfv s GLY 48 N 0.97 0.99 -0.05 6.18 0.00 -1.26 -4.43 107.32 109.71 2hfv s GLY 48 Ca 0.44 0.65 0.05 0.00 0.00 0.00 0.00 44.72 45.86 2hfv s GLY 48 CO 0.21 3.34 -0.21 -2.38 0.00 0.00 0.00 173.10 174.06 2hfv s HIS 49 N 6.23 2.53 -0.58 1.90 -3.43 -1.26 -2.34 115.29 118.33 2hfv s HIS 49 Ca 0.83 -0.46 -0.08 0.00 -0.80 0.00 0.00 55.06 54.56 2hfv s HIS 49 Cb -0.29 -1.61 0.15 0.00 -1.43 0.00 0.00 32.58 29.40 2hfv s HIS 49 CO 0.34 -0.04 0.44 -1.17 -2.00 0.00 0.00 174.74 172.31 2hfv s LEU 50 N -0.41 5.72 -0.18 5.38 0.20 0.18 -4.97 118.68 124.60 2hfv s LEU 50 Ca 0.04 -2.36 -0.04 0.00 0.69 0.00 0.00 54.13 52.45 2hfv s LEU 50 Cb -0.12 -1.99 0.08 0.00 -0.43 0.00 0.00 46.19 43.73 2hfv s LEU 50 CO 0.02 -0.56 0.16 0.68 -0.29 0.00 0.00 176.35 176.36 2hfv s VAL 51 N 0.67 -0.23 -0.09 1.68 -7.23 -1.26 -2.62 120.40 111.33 2hfv s VAL 51 Ca 0.12 -0.09 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 2hfv s VAL 51 Cb -0.21 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 2hfv s VAL 51 CO -0.03 -0.20 -0.13 -0.76 -0.31 0.00 0.00 175.10 173.67 2hfv s LEU 52 N 2.25 2.78 -1.46 1.32 2.01 -1.26 -5.02 118.68 119.29 2hfv s LEU 52 Ca 0.05 -0.23 -0.13 0.00 0.01 0.00 0.00 54.13 53.82 2hfv s LEU 52 Cb -0.16 -1.60 0.04 0.00 0.01 0.00 0.00 46.19 44.49 2hfv s LEU 52 CO -0.10 0.27 2.28 -0.67 1.01 0.00 0.00 176.35 179.14 2hfv n ASP 53 N 2.84 4.68 -3.73 2.29 2.03 -1.26 -4.83 116.55 118.58 2hfv n ASP 53 Ca -0.18 -2.84 -0.24 0.00 0.52 0.00 0.00 54.79 52.06 2hfv n ASP 53 Cb 0.52 -1.62 -0.17 0.00 -0.72 0.00 0.00 41.12 39.13 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2hfv s GLN 54 N 2.68 0.42 0.04 -0.67 -0.21 -1.26 -4.96 119.66 115.70 2hfv s GLN 54 Ca 0.49 0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.92 2hfv s GLN 54 Cb 0.14 -1.18 0.00 0.00 1.00 0.00 0.00 33.01 32.97 2hfv s GLN 54 CO -0.08 -0.41 0.00 -1.71 -2.12 0.00 0.00 175.29 170.98 2hfv n ASN 55 N 5.17 -0.25 -3.85 5.90 5.15 -1.26 -5.15 115.26 120.98 2hfv n ASN 55 Ca -0.07 0.07 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 2hfv n ASN 55 Cb 0.49 0.53 -0.05 0.00 -0.53 0.00 0.00 39.78 40.23 2hfv n ASN 55 CO 0.00 0.00 0.00 -0.32 1.40 0.00 0.00 177.26 178.34 2hfv s MET 56 N -2.00 1.63 0.46 1.20 1.75 -1.26 -5.15 119.30 115.93 2hfv s MET 56 Ca 0.00 -1.33 -0.23 0.00 -1.25 0.00 0.00 55.69 52.89 2hfv s MET 56 Cb 0.00 0.48 -0.07 0.00 2.84 0.00 0.00 34.83 38.07 2hfv s MET 56 CO 0.00 -0.68 1.14 -1.12 -0.65 0.00 0.00 175.02 173.71 2hfv s SER 57 N -3.05 6.20 -0.23 1.11 0.01 -1.26 -4.95 113.70 111.53 2hfv s SER 57 Ca 0.23 2.25 -0.29 0.00 1.31 0.00 0.00 55.95 59.45 2hfv s SER 57 Cb -0.01 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2hfv s SER 57 CO 0.11 -0.89 1.41 -0.51 0.41 0.00 0.00 173.24 173.76 2hfv s ILE 58 N -1.59 4.00 -0.29 1.44 2.07 -1.26 -4.96 121.20 120.62 2hfv s ILE 58 Ca 0.64 1.16 -0.02 0.00 -1.41 0.00 0.00 60.65 61.01 2hfv s ILE 58 Cb -0.27 -3.95 0.17 0.00 0.13 0.00 0.00 42.46 38.55 2hfv s ILE 58 CO 0.33 -0.32 0.56 -0.22 -1.91 0.00 0.00 174.94 173.37 2hfv s LEU 59 N 4.41 -1.22 0.30 8.50 2.96 -1.26 -5.14 118.68 127.23 2hfv s LEU 59 Ca 0.61 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 2hfv s LEU 59 Cb -0.21 1.99 0.00 0.00 0.50 0.00 0.00 46.19 48.46 2hfv s LEU 59 CO 0.23 -0.26 0.00 -0.62 -1.32 0.00 0.00 176.35 174.38 2hfv n GLU 60 N 5.42 -1.94 -2.56 1.98 -0.58 -1.26 -4.44 120.64 117.26 2hfv n GLU 60 Ca -0.03 1.44 -0.41 0.00 -0.42 0.00 0.00 57.16 57.74 2hfv n GLU 60 Cb 0.51 -2.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.03 2hfv n GLU 60 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2hfv s GLY 61 N -6.34 1.22 0.10 0.62 0.00 -1.26 -4.97 107.32 96.69 2hfv s GLY 61 Ca 0.00 -2.15 -0.34 0.00 0.00 0.00 0.00 44.72 42.22 2hfv s GLY 61 CO 0.00 2.68 1.63 1.44 0.00 0.00 0.00 173.10 178.85 2hfv n SER 62 N 8.94 3.07 -4.58 1.64 7.64 -1.26 -4.84 113.62 124.22 2hfv n SER 62 Ca 0.29 1.06 -0.43 0.00 1.01 0.00 0.00 58.87 60.81 2hfv n SER 62 Cb 0.51 -1.40 -0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 1.60 3.84 -1.50 -3.43 1.02 -1.26 -4.37 118.68 114.58 2hfv s LEU 63 Ca 0.82 -2.40 -0.12 0.00 0.02 0.00 0.00 54.13 52.46 2hfv s LEU 63 Cb -0.70 -2.58 0.07 0.00 0.02 0.00 0.00 46.19 43.00 2hfv s LEU 63 CO 0.42 -1.18 0.96 0.61 0.02 0.00 0.00 176.35 177.17 2hfv n GLY 64 N 5.47 -0.47 1.17 -3.19 0.00 -1.26 -4.86 105.19 102.05 2hfv n GLY 64 Ca 0.48 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.77 2hfv n GLY 64 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2hfv n VAL 65 N -4.66 1.80 -3.93 1.61 3.14 -1.26 -4.76 118.33 110.26 2hfv n VAL 65 Ca 0.00 -1.35 -0.30 0.00 -2.96 0.00 0.00 64.34 59.74 2hfv n VAL 65 Cb 0.54 0.10 -0.14 0.00 -1.06 0.00 0.00 33.84 33.29 2hfv n VAL 65 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2hfv s ILE 66 N -1.95 2.62 0.24 1.55 1.09 -1.26 -5.05 121.20 118.44 2hfv s ILE 66 Ca 0.42 -3.50 -0.27 0.00 -1.10 0.00 0.00 60.65 56.20 2hfv s ILE 66 Cb 0.29 -2.80 -0.09 0.00 -1.06 0.00 0.00 42.46 38.79 2hfv s ILE 66 CO 0.18 -0.84 0.88 -2.16 -0.10 0.00 0.00 174.94 172.89 2hfv s PRO 67 N -0.51 4.66 0.10 2.79 0.04 -1.26 -4.77 135.00 136.04 2hfv s PRO 67 Ca 0.19 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.60 2hfv s PRO 67 Cb -0.22 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 2hfv s PRO 67 CO -0.03 0.47 -0.18 1.03 0.04 0.00 0.00 177.00 178.33 2hfv s ARG 68 N -1.44 1.01 -0.07 4.56 1.81 -0.97 -5.01 118.95 118.83 2hfv s ARG 68 Ca 0.42 -1.11 0.03 0.00 -1.72 0.00 0.00 55.73 53.35 2hfv s ARG 68 Cb -0.23 -1.13 -0.02 0.00 -0.45 0.00 0.00 34.95 33.12 2hfv s ARG 68 CO 0.28 0.25 -0.15 -0.98 -0.68 0.00 0.00 175.30 174.02 2hfv s ARG 69 N -1.98 2.74 -0.30 3.54 1.70 -1.26 -1.65 118.95 121.74 2hfv s ARG 69 Ca 0.04 -0.71 -0.07 0.00 -0.47 0.00 0.00 55.73 54.52 2hfv s ARG 69 Cb -0.09 -2.42 0.01 0.00 -0.57 0.00 0.00 34.95 31.88 2hfv s ARG 69 CO 0.04 0.49 0.08 0.08 -1.08 0.00 0.00 175.30 174.91 2hfv s VAL 70 N -0.38 3.93 -0.11 4.99 1.01 0.82 -4.63 120.40 126.02 2hfv s VAL 70 Ca 0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2hfv s VAL 70 Cb -0.12 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2hfv s VAL 70 CO 0.02 0.06 0.11 -0.76 0.00 0.00 0.00 175.10 174.53 2hfv s LEU 71 N 1.49 4.21 0.25 3.92 1.02 -1.08 -0.82 118.68 127.68 2hfv s LEU 71 Ca 0.02 0.40 0.07 0.00 0.02 0.00 0.00 54.13 54.64 2hfv s LEU 71 Cb -0.17 -2.02 -0.05 0.00 0.02 0.00 0.00 46.19 43.96 2hfv s LEU 71 CO 0.02 0.40 -0.09 0.68 0.02 0.00 0.00 176.35 177.38 2hfv s VAL 72 N -1.00 1.67 0.75 -1.59 -7.23 0.31 0.49 120.40 113.80 2hfv s VAL 72 Ca 0.15 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 2hfv s VAL 72 Cb -0.12 -2.29 0.04 0.00 0.56 0.00 0.00 36.38 34.57 2hfv s VAL 72 CO 0.04 -0.41 1.08 -2.28 -0.31 0.00 0.00 175.10 173.22 2hfv s HIS 73 N -3.01 2.91 0.07 2.82 2.46 -0.99 -0.83 115.29 118.72 2hfv s HIS 73 Ca 0.27 1.32 -0.36 0.00 0.47 0.00 0.00 55.06 56.76 2hfv s HIS 73 Cb 0.02 -3.01 -0.18 0.00 -0.13 0.00 0.00 32.58 29.28 2hfv s HIS 73 CO 0.10 -1.57 1.58 0.93 -2.47 0.00 0.00 174.74 173.32 2hfv h GLU 74 N -0.95 -1.06 0.00 2.88 4.39 -1.95 0.22 114.58 118.11 2hfv h GLU 74 Ca -0.45 0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.24 2hfv h GLU 74 Cb 1.24 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.12 2hfv h GLU 74 CO 0.57 -0.71 -0.35 0.22 -1.16 0.00 0.00 179.01 177.58 2hfv h ASP 75 N -1.10 0.00 1.04 1.42 3.58 -1.98 -2.33 116.42 117.06 2hfv h ASP 75 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2hfv h ASP 75 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2hfv h ASP 75 CO 0.09 0.35 0.00 0.47 -2.88 0.00 0.00 179.24 177.28 2hfv n ASP 76 N -3.44 0.72 0.16 2.28 9.92 -1.03 -3.85 116.55 121.31 2hfv n ASP 76 Ca 0.00 0.63 -0.15 0.00 -0.53 0.00 0.00 54.79 54.74 2hfv n ASP 76 Cb 0.53 -0.80 -0.08 0.00 -0.64 0.00 0.00 41.12 40.13 2hfv n ASP 76 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2hfv h LEU 77 N 0.00 -1.23 -0.91 0.64 7.12 0.02 0.20 115.31 121.15 2hfv h LEU 77 Ca 0.00 0.13 -0.05 0.00 0.13 0.00 0.00 57.88 58.08 2hfv h LEU 77 Cb 0.52 0.45 -0.03 0.00 -0.53 0.00 0.00 40.66 41.07 2hfv h LEU 77 CO 0.00 -0.52 0.19 0.00 -0.13 0.00 0.00 178.44 177.98 2hfv h ALA 78 N -0.30 1.12 -0.36 1.25 0.00 -1.76 -1.72 119.26 117.49 2hfv h ALA 78 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2hfv h ALA 78 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2hfv h ALA 78 CO -0.19 0.60 0.09 0.78 0.00 0.00 0.00 179.25 180.53 2hfv h GLY 79 N 1.04 0.62 0.98 0.00 0.00 -1.60 -0.26 103.07 103.85 2hfv h GLY 79 Ca 0.21 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2hfv h GLY 79 CO -0.01 0.36 0.21 0.00 0.00 0.00 0.00 176.54 177.11 2hfv h ALA 80 N 0.93 0.68 0.09 3.60 0.00 -0.40 0.18 119.26 124.34 2hfv h ALA 80 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hfv h ALA 80 Cb 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2hfv h ALA 80 CO 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.49 2hfv h ARG 81 N 0.70 -0.12 -0.66 0.00 3.08 -1.17 -0.94 114.38 115.28 2hfv h ARG 81 Ca 0.17 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.28 2hfv h ARG 81 Cb 0.19 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 2hfv h ARG 81 CO -0.02 -0.04 0.38 -0.09 -1.07 0.00 0.00 179.97 179.14 2hfv h ARG 82 N -0.17 0.71 0.47 0.04 9.65 -0.88 0.74 114.38 124.94 2hfv h ARG 82 Ca -0.01 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 2hfv h ARG 82 Cb 0.13 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2hfv h ARG 82 CO 0.02 0.47 -0.23 1.25 2.80 0.00 0.00 179.97 184.28 2hfv h LEU 83 N 0.73 -0.56 -1.61 3.80 5.85 -0.74 -1.19 115.31 121.59 2hfv h LEU 83 Ca 0.28 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 2hfv h LEU 83 Cb 0.11 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2hfv h LEU 83 CO -0.14 -0.39 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.37 2hfv h LEU 84 N -0.64 0.09 -0.41 2.25 3.38 -0.96 -1.49 115.31 117.53 2hfv h LEU 84 Ca -0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2hfv h LEU 84 Cb 0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2hfv h LEU 84 CO 0.10 0.22 -0.04 0.74 0.09 0.00 0.00 178.44 179.55 2hfv h THR 85 N 0.09 1.27 -0.18 0.22 2.02 -0.50 0.34 112.91 116.17 2hfv h THR 85 Ca 0.02 -1.10 -0.12 0.00 0.77 0.00 0.00 66.41 65.98 2hfv h THR 85 Cb 0.28 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2hfv h THR 85 CO 0.02 0.37 -0.40 -0.78 0.37 0.00 0.00 175.52 175.10 2hfv h ASP 86 N 0.57 0.42 0.41 4.18 3.58 -0.71 -2.40 116.42 122.46 2hfv h ASP 86 Ca 0.11 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2hfv h ASP 86 Cb 0.55 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2hfv h ASP 86 CO 0.03 0.78 -0.02 0.00 -2.88 0.00 0.00 179.24 177.15 2hfv n ALA 87 N -2.49 2.58 -1.39 -0.78 0.00 -0.61 -4.89 120.51 112.93 2hfv n ALA 87 Ca -0.01 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2hfv n ALA 87 Cb 0.49 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 1.22 0.84 1.01 0.00 0.00 -0.62 -4.89 105.19 102.76 2hfv n GLY 88 Ca 0.16 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.62 2hfv n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hfv n LEU 89 N -0.96 3.49 -4.31 0.99 4.77 0.11 -4.77 117.00 116.32 2hfv n LEU 89 Ca -0.08 -2.03 -0.37 0.00 -0.03 0.00 0.00 56.01 53.51 2hfv n LEU 89 Cb 0.32 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 2hfv n LEU 89 CO 0.12 0.86 1.87 0.00 -1.33 0.00 0.00 177.39 178.91 2hfv n ALA 90 N 1.06 2.96 0.01 -1.18 0.00 -0.99 -4.16 120.51 118.22 2hfv n ALA 90 Ca 0.18 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.23 2hfv n ALA 90 Cb 0.54 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 10.58 -0.19 0.70 0.00 -0.00 -1.26 -4.81 115.22 120.24 2hfv n HIS 91 Ca 0.48 0.03 0.08 0.00 -0.00 0.00 0.00 57.72 58.31 2hfv n HIS 91 Cb 0.44 0.30 0.22 0.00 -0.00 0.00 0.00 29.99 30.95 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 -2.81 1.99 -2.41 1.57 -0.58 -1.26 -4.91 120.64 112.23 2hfv n GLU 92 Ca 0.00 -1.53 -0.41 0.00 -0.42 0.00 0.00 57.16 54.80 2hfv n GLU 92 Cb 0.19 -1.36 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.12 4.44 0.18 -4.62 1.02 -1.26 -0.93 118.68 116.39 2hfv s LEU 93 Ca 0.30 2.17 -0.11 0.00 0.02 0.00 0.00 54.13 56.51 2hfv s LEU 93 Cb 0.16 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.77 2hfv s LEU 93 CO 0.21 -0.36 0.35 -0.13 0.02 0.00 0.00 176.35 176.45 2hfv s ARG 94 N -0.05 1.23 -0.18 1.70 0.52 0.82 -4.92 118.95 118.08 2hfv s ARG 94 Ca 0.53 -1.10 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 2hfv s ARG 94 Cb -0.32 0.42 0.05 0.00 0.52 0.00 0.00 34.95 35.62 2hfv s ARG 94 CO 0.35 -0.48 0.47 -1.12 0.02 0.00 0.00 175.30 174.54 2hfv s SER 95 N -2.95 -0.49 -1.20 0.23 0.01 -1.26 -4.40 113.70 103.64 2hfv s SER 95 Ca 0.15 0.94 -0.19 0.00 1.31 0.00 0.00 55.95 58.16 2hfv s SER 95 Cb 0.02 0.95 0.07 0.00 0.21 0.00 0.00 66.02 67.27 2hfv s SER 95 CO -0.00 -0.16 1.62 -1.81 0.41 0.00 0.00 173.24 173.30 2hfv s ASP 96 N 0.28 6.74 0.00 2.44 1.01 -1.26 -5.20 116.67 120.68 2hfv s ASP 96 Ca -0.00 -2.16 0.07 0.00 0.71 0.00 0.00 52.55 51.17 2hfv s ASP 96 Cb -0.03 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.39 2hfv s ASP 96 CO 0.00 -1.25 0.73 -0.67 0.21 0.00 0.00 175.17 174.19