#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 -2.16 2.99 3.03 0.00 -1.26 -4.99 105.19 102.80 2hfv n GLY 2 Ca 0.00 -1.50 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.49 0.15 -0.01 1.61 1.04 -1.26 -5.14 113.70 106.60 2hfv s SER 3 Ca 0.00 -0.35 -0.23 0.00 0.48 0.00 0.00 55.95 55.86 2hfv s SER 3 Cb 0.00 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 2hfv s SER 3 CO 0.00 -0.26 0.68 -0.94 0.98 0.00 0.00 173.24 173.69 2hfv s SER 4 N -1.19 7.04 -0.18 7.02 1.04 -1.26 -5.06 113.70 121.11 2hfv s SER 4 Ca -0.13 1.25 0.01 0.00 0.48 0.00 0.00 55.95 57.55 2hfv s SER 4 Cb -0.08 -2.41 0.04 0.00 0.10 0.00 0.00 66.02 63.67 2hfv s SER 4 CO -0.00 0.01 -0.11 -1.38 0.98 0.00 0.00 173.24 172.73 2hfv s HIS 5 N 0.17 2.34 -0.23 5.02 0.00 -1.26 -5.07 115.29 116.26 2hfv s HIS 5 Ca 0.35 -1.48 -0.03 0.00 -3.00 0.00 0.00 55.06 50.90 2hfv s HIS 5 Cb -0.19 -1.63 0.11 0.00 -4.00 0.00 0.00 32.58 26.87 2hfv s HIS 5 CO 0.19 -0.72 0.24 -3.38 -1.00 0.00 0.00 174.74 170.06 2hfv s HIS 6 N 1.42 -0.28 -0.25 0.38 -0.00 -1.26 -5.12 115.29 110.18 2hfv s HIS 6 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 55.06 55.10 2hfv s HIS 6 Cb -0.15 -0.43 0.07 0.00 -0.00 0.00 0.00 32.58 32.07 2hfv s HIS 6 CO -0.09 -0.71 -0.00 -1.01 -0.00 0.00 0.00 174.74 172.93 2hfv s HIS 7 N 2.32 2.17 -0.02 0.38 0.09 -1.26 -5.10 115.29 113.88 2hfv s HIS 7 Ca 0.08 -1.72 -0.06 0.00 -0.00 0.00 0.00 55.06 53.35 2hfv s HIS 7 Cb -0.15 -1.64 0.00 0.00 -0.00 0.00 0.00 32.58 30.79 2hfv s HIS 7 CO -0.20 -0.78 0.13 -3.38 -0.00 0.00 0.00 174.74 170.51 2hfv s HIS 8 N 1.47 -0.02 -0.25 1.40 0.00 -1.26 -5.16 115.29 111.47 2hfv s HIS 8 Ca -0.01 0.03 -0.07 0.00 -3.00 0.00 0.00 55.06 52.01 2hfv s HIS 8 Cb -0.18 -0.02 0.12 0.00 -4.00 0.00 0.00 32.58 28.50 2hfv s HIS 8 CO -0.10 -0.21 0.53 -3.38 -1.00 0.00 0.00 174.74 170.58 2hfv s HIS 9 N -0.88 -1.10 -0.33 0.38 0.00 -1.26 -5.09 115.29 107.01 2hfv s HIS 9 Ca -0.10 1.83 0.01 0.00 -3.00 0.00 0.00 55.06 53.80 2hfv s HIS 9 Cb -0.05 0.52 0.14 0.00 -4.00 0.00 0.00 32.58 29.18 2hfv s HIS 9 CO 0.01 -0.61 0.30 -3.38 -1.00 0.00 0.00 174.74 170.05 2hfv s HIS 10 N 2.75 -0.10 -0.29 0.38 0.00 -1.26 -5.10 115.29 111.68 2hfv s HIS 10 Ca -0.00 -0.78 -0.00 0.00 -3.00 0.00 0.00 55.06 51.27 2hfv s HIS 10 Cb -0.13 -0.57 0.09 0.00 -4.00 0.00 0.00 32.58 27.98 2hfv s HIS 10 CO -0.16 -0.92 0.07 0.45 -1.00 0.00 0.00 174.74 173.18 2hfv s SER 11 N 1.71 3.94 0.05 7.38 0.15 -1.26 -5.11 113.70 120.57 2hfv s SER 11 Ca 0.14 -1.54 -0.13 0.00 0.70 0.00 0.00 55.95 55.12 2hfv s SER 11 Cb -0.16 -0.93 0.02 0.00 -1.71 0.00 0.00 66.02 63.24 2hfv s SER 11 CO -0.15 -0.38 0.28 -0.55 1.20 0.00 0.00 173.24 173.64 2hfv s SER 12 N 1.56 -0.09 0.00 5.45 0.15 -1.26 -5.13 113.70 114.39 2hfv s SER 12 Ca 0.07 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2hfv s SER 12 Cb -0.18 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2hfv s SER 12 CO -0.20 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2hfv n GLY 13 N 0.53 0.23 0.08 9.45 0.00 -1.26 -5.05 105.19 109.17 2hfv n GLY 13 Ca -0.18 0.57 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.65 -2.75 1.61 1.85 -1.26 -4.75 116.66 112.02 2hfv n ARG 14 Ca 0.00 0.08 -0.42 0.00 -1.00 0.00 0.00 57.85 56.51 2hfv n ARG 14 Cb 0.00 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 29.72 2hfv n ARG 14 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2hfv s GLU 15 N -2.82 3.32 0.20 2.89 2.02 -1.26 -4.94 118.70 118.10 2hfv s GLU 15 Ca -0.06 -0.95 -0.05 0.00 0.02 0.00 0.00 54.97 53.92 2hfv s GLU 15 Cb 0.08 -4.58 -0.03 0.00 0.10 0.00 0.00 34.13 29.71 2hfv s GLU 15 CO 0.84 -1.96 0.23 1.21 0.02 0.00 0.00 175.26 175.60 2hfv s ASN 16 N 3.93 0.09 -0.33 -0.19 2.47 -1.26 -5.14 114.94 114.51 2hfv s ASN 16 Ca 0.32 -1.18 -0.04 0.00 0.42 0.00 0.00 52.86 52.38 2hfv s ASN 16 Cb -0.09 0.43 0.05 0.00 -1.45 0.00 0.00 41.25 40.19 2hfv s ASN 16 CO 0.03 -0.91 0.08 -0.76 -3.72 0.00 0.00 177.10 171.82 2hfv s LEU 17 N -3.08 4.25 0.04 3.21 1.43 -1.26 -4.92 118.68 118.35 2hfv s LEU 17 Ca 0.30 -1.28 0.13 0.00 -1.03 0.00 0.00 54.13 52.24 2hfv s LEU 17 Cb 0.05 -1.81 -0.18 0.00 0.03 0.00 0.00 46.19 44.28 2hfv s LEU 17 CO 0.08 -0.33 0.89 0.22 0.23 0.00 0.00 176.35 177.45 2hfv h TYR 18 N 8.12 0.00 -4.26 0.29 3.20 -2.00 -3.47 116.97 118.84 2hfv h TYR 18 Ca -0.21 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.14 2hfv h TYR 18 Cb 1.07 0.00 0.12 0.00 1.54 0.00 0.00 36.73 39.46 2hfv h TYR 18 CO 0.60 0.85 0.34 -0.06 -1.64 0.00 0.00 178.16 178.25 2hfv s PHE 19 N -2.73 2.53 -0.12 -3.82 0.08 -1.26 -5.04 117.98 107.62 2hfv s PHE 19 Ca -0.02 1.57 0.02 0.00 0.12 0.00 0.00 56.93 58.61 2hfv s PHE 19 Cb 0.09 -3.12 0.01 0.00 -0.57 0.00 0.00 43.02 39.43 2hfv s PHE 19 CO 0.81 -1.83 -0.17 -1.14 -0.10 0.00 0.00 175.22 172.80 2hfv s GLN 20 N -4.53 2.41 0.00 0.44 0.74 -1.26 -5.12 119.66 112.33 2hfv s GLN 20 Ca 0.64 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 55.42 2hfv s GLN 20 Cb -0.19 -2.03 0.00 0.00 1.10 0.00 0.00 33.01 31.89 2hfv s GLN 20 CO 0.50 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.58 2hfv n GLY 21 N 4.22 4.86 3.39 2.59 0.00 -1.26 -5.16 105.19 113.82 2hfv n GLY 21 Ca -0.19 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.45 2hfv n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hfv s HIS 22 N -0.40 1.73 -0.02 1.61 3.76 -1.26 -4.94 115.29 115.78 2hfv s HIS 22 Ca 0.00 -1.47 -0.29 0.00 -0.15 0.00 0.00 55.06 53.15 2hfv s HIS 22 Cb 0.00 -0.91 -0.03 0.00 1.11 0.00 0.00 32.58 32.75 2hfv s HIS 22 CO 0.00 -0.59 0.96 -0.51 -0.85 0.00 0.00 174.74 173.75 2hfv s LEU 23 N -3.47 4.35 -0.05 0.89 1.02 -1.26 -1.02 118.68 119.13 2hfv s LEU 23 Ca 0.33 1.60 -0.02 0.00 0.02 0.00 0.00 54.13 56.06 2hfv s LEU 23 Cb 0.03 -3.52 -0.04 0.00 0.02 0.00 0.00 46.19 42.68 2hfv s LEU 23 CO 0.21 -0.28 0.05 -0.13 0.02 0.00 0.00 176.35 176.22 2hfv s ARG 24 N 1.15 3.04 -0.45 1.70 0.52 0.24 -4.90 118.95 120.24 2hfv s ARG 24 Ca 0.50 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 2hfv s ARG 24 Cb -0.20 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.43 2hfv s ARG 24 CO 0.26 0.68 1.37 -2.00 0.02 0.00 0.00 175.30 175.62 2hfv s GLU 25 N -1.29 3.54 0.00 3.54 2.12 -1.26 -2.37 118.70 122.98 2hfv s GLU 25 Ca 0.18 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.28 2hfv s GLU 25 Cb -0.12 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.25 2hfv s GLU 25 CO 0.08 -1.61 0.00 1.28 -0.54 0.00 0.00 175.26 174.46 2hfv n LEU 26 N 8.81 0.05 -4.16 2.70 4.77 0.62 -4.85 117.00 124.94 2hfv n LEU 26 Ca 0.15 0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2hfv n LEU 26 Cb 0.48 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 2hfv n LEU 26 CO 0.71 -0.49 -0.15 -1.48 -1.33 0.00 0.00 177.39 174.65 2hfv s LEU 27 N -4.04 1.00 0.06 2.23 0.05 -1.15 -0.40 118.68 116.43 2hfv s LEU 27 Ca 0.00 -1.31 0.00 0.00 0.05 0.00 0.00 54.13 52.87 2hfv s LEU 27 Cb 0.00 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.77 2hfv s LEU 27 CO 0.00 -0.91 -0.05 0.00 -0.55 0.00 0.00 176.35 174.85 2hfv s ARG 28 N -4.11 0.64 0.17 1.48 1.70 -1.01 -0.68 118.95 117.15 2hfv s ARG 28 Ca 0.36 -1.15 -0.23 0.00 -0.47 0.00 0.00 55.73 54.24 2hfv s ARG 28 Cb 0.05 0.03 0.06 0.00 -0.57 0.00 0.00 34.95 34.52 2hfv s ARG 28 CO 0.12 -0.06 0.68 -0.08 -1.08 0.00 0.00 175.30 174.88 2hfv s THR 29 N -3.34 0.00 -0.36 4.99 -1.32 -1.21 -4.70 115.64 109.71 2hfv s THR 29 Ca 0.05 -0.28 0.06 0.00 -1.21 0.00 0.00 61.69 60.31 2hfv s THR 29 Cb 0.04 -1.30 0.17 0.00 -1.51 0.00 0.00 72.50 69.89 2hfv s THR 29 CO -0.06 0.00 1.13 0.59 -2.21 0.00 0.00 174.62 174.07 2hfv n ASN 30 N -0.39 2.49 -4.26 8.08 3.02 -1.26 -3.91 115.26 119.03 2hfv n ASN 30 Ca -0.12 -2.15 -0.31 0.00 -0.03 0.00 0.00 54.58 51.97 2hfv n ASN 30 Cb 0.63 -0.15 -0.16 0.00 -0.61 0.00 0.00 39.78 39.48 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2hfv s ASP 31 N -1.21 3.01 0.23 6.41 2.15 -1.26 -5.03 116.67 120.97 2hfv s ASP 31 Ca 0.14 -0.50 0.06 0.00 0.43 0.00 0.00 52.55 52.68 2hfv s ASP 31 Cb 0.09 -0.80 0.21 0.00 -0.30 0.00 0.00 42.92 42.12 2hfv s ASP 31 CO 0.07 0.24 1.53 0.00 -0.17 0.00 0.00 175.17 176.84 2hfv h ALA 32 N 6.05 0.81 -0.25 3.66 0.00 -1.99 -1.73 119.26 125.81 2hfv h ALA 32 Ca -0.32 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 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 0.47 0.80 -0.26 0.28 0.00 0.00 0.00 179.25 180.54 2hfv h VAL 33 N 0.10 1.31 -0.21 0.00 2.07 -1.98 -1.19 116.25 116.34 2hfv h VAL 33 Ca -0.01 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.09 2hfv h VAL 33 Cb 1.21 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2hfv h VAL 33 CO 0.10 0.45 0.10 -0.07 0.02 0.00 0.00 177.57 178.16 2hfv h LEU 34 N 0.34 0.14 -0.90 2.57 4.07 -1.97 0.26 115.31 119.81 2hfv h LEU 34 Ca 0.04 0.01 0.14 0.00 0.08 0.00 0.00 57.88 58.15 2hfv h LEU 34 Cb 0.82 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.46 2hfv h LEU 34 CO 0.06 0.11 0.50 -0.07 -1.08 0.00 0.00 178.44 177.97 2hfv h LEU 35 N 0.21 0.65 -0.17 1.67 3.38 -1.22 0.14 115.31 119.98 2hfv h LEU 35 Ca 0.09 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 2hfv h LEU 35 Cb 0.03 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2hfv h LEU 35 CO -0.07 0.29 -0.59 0.28 0.09 0.00 0.00 178.44 178.45 2hfv h SER 36 N 0.73 0.81 0.34 -0.43 0.02 -0.49 0.11 113.55 114.64 2hfv h SER 36 Ca 0.48 -0.60 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2hfv h SER 36 Cb 0.63 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2hfv h SER 36 CO -0.34 1.27 -0.16 0.00 -1.14 0.00 0.00 176.83 176.46 2hfv h ALA 37 N 0.56 -0.46 -0.90 3.77 0.00 0.04 0.22 119.26 122.48 2hfv h ALA 37 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2hfv h ALA 37 Cb 1.21 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2hfv h ALA 37 CO 0.12 -0.66 0.53 0.28 0.00 0.00 0.00 179.25 179.53 2hfv h VAL 38 N -0.66 1.25 0.18 0.00 2.07 -0.83 -2.51 116.25 115.74 2hfv h VAL 38 Ca -0.05 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2hfv h VAL 38 Cb 0.47 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2hfv h VAL 38 CO 0.08 0.27 -0.08 1.23 0.02 0.00 0.00 177.57 179.08 2hfv h GLY 39 N 1.24 -0.25 1.52 2.17 0.00 -0.83 -2.84 103.07 104.08 2hfv h GLY 39 Ca 0.32 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.79 2hfv h GLY 39 CO -0.06 -0.09 0.22 0.00 0.00 0.00 0.00 176.54 176.61 2hfv h ALA 40 N 0.40 2.01 0.11 3.60 0.00 -0.44 0.26 119.26 125.20 2hfv h ALA 40 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2hfv h ALA 40 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hfv h ALA 40 CO 0.04 -0.07 -0.05 -0.07 0.00 0.00 0.00 179.25 179.10 2hfv h LEU 41 N 0.23 -0.12 -0.71 0.00 3.38 -1.31 0.32 115.31 117.10 2hfv h LEU 41 Ca 0.14 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2hfv h LEU 41 Cb 0.27 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2hfv h LEU 41 CO -0.03 0.06 -0.28 -0.07 0.09 0.00 0.00 178.44 178.21 2hfv h LEU 42 N -0.30 0.71 -0.23 1.67 3.38 -1.03 -0.65 115.31 118.86 2hfv h LEU 42 Ca -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2hfv h LEU 42 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2hfv h LEU 42 CO 0.02 0.95 0.06 0.44 0.09 0.00 0.00 178.44 180.01 2hfv h ASP 43 N 0.59 0.35 -0.38 -0.43 3.32 -0.45 -0.93 116.42 118.49 2hfv h ASP 43 Ca 0.07 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 2hfv h ASP 43 Cb 0.78 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2hfv h ASP 43 CO 0.06 0.48 -0.03 1.23 -1.72 0.00 0.00 179.24 179.26 2hfv h GLY 44 N 0.20 0.84 2.00 2.75 0.00 -0.18 -1.63 103.07 107.05 2hfv h GLY 44 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2hfv h GLY 44 CO -0.00 0.53 0.00 0.00 0.00 0.00 0.00 176.54 177.07 2hfv n ALA 45 N -2.48 1.93 -1.63 3.60 0.00 -0.27 -4.87 120.51 116.79 2hfv n ALA 45 Ca 0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 2hfv n ALA 45 Cb 0.31 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.61 -3.92 0.01 0.00 2.03 -0.61 -4.90 116.55 107.54 2hfv n ASP 46 Ca 0.05 0.15 -0.17 0.00 0.52 0.00 0.00 54.79 55.34 2hfv n ASP 46 Cb 0.25 -2.64 -0.07 0.00 -0.72 0.00 0.00 41.12 37.94 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 1.29 -1.82 5.18 2.04 -1.42 -3.50 117.51 119.28 2hfv h ILE 47 Ca -0.22 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2hfv h ILE 47 Cb 0.85 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2hfv h ILE 47 CO 0.30 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.71 2hfv n GLY 48 N 0.82 -2.64 3.88 5.37 0.00 -1.15 -4.99 105.19 106.48 2hfv n GLY 48 Ca -0.08 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 3.44 -0.67 1.61 -3.43 -1.26 -4.88 115.29 110.10 2hfv s HIS 49 Ca 0.00 0.79 -0.01 0.00 -0.80 0.00 0.00 55.06 55.04 2hfv s HIS 49 Cb 0.00 -2.20 0.17 0.00 -1.43 0.00 0.00 32.58 29.12 2hfv s HIS 49 CO 0.00 0.27 0.48 -1.17 -2.00 0.00 0.00 174.74 172.33 2hfv s LEU 50 N -2.92 5.10 -0.98 5.38 2.96 -0.08 -4.98 118.68 123.17 2hfv s LEU 50 Ca 0.46 -3.16 -0.03 0.00 -0.22 0.00 0.00 54.13 51.18 2hfv s LEU 50 Cb -0.11 -1.81 0.25 0.00 0.50 0.00 0.00 46.19 45.01 2hfv s LEU 50 CO 0.23 -0.28 2.13 1.33 -1.32 0.00 0.00 176.35 178.45 2hfv n VAL 51 N 3.03 4.96 -4.99 1.68 0.24 -1.26 -0.61 118.33 121.39 2hfv n VAL 51 Ca 0.11 -4.81 -0.32 0.00 -2.04 0.00 0.00 64.34 57.28 2hfv n VAL 51 Cb 0.36 -1.60 -0.15 0.00 -1.47 0.00 0.00 33.84 30.98 2hfv n VAL 51 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2hfv s LEU 52 N -3.48 2.48 0.19 1.34 1.43 -1.24 -4.74 118.68 114.66 2hfv s LEU 52 Ca 0.48 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2hfv s LEU 52 Cb 0.27 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.98 2hfv s LEU 52 CO -0.20 0.23 0.00 -0.67 0.23 0.00 0.00 176.35 175.94 2hfv n ASP 53 N 3.09 -0.62 -3.66 2.29 2.03 -1.26 -4.71 116.55 113.72 2hfv n ASP 53 Ca -0.18 0.34 -0.10 0.00 0.52 0.00 0.00 54.79 55.37 2hfv n ASP 53 Cb 0.52 0.73 -0.08 0.00 -0.72 0.00 0.00 41.12 41.57 2hfv n ASP 53 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2hfv s GLN 54 N -1.55 0.66 0.20 -0.67 0.74 -1.26 -5.11 119.66 112.67 2hfv s GLN 54 Ca 0.00 1.01 -0.26 0.00 0.05 0.00 0.00 55.36 56.17 2hfv s GLN 54 Cb 0.00 0.19 -0.08 0.00 1.10 0.00 0.00 33.01 34.22 2hfv s GLN 54 CO 0.00 -0.13 0.82 -0.80 -0.55 0.00 0.00 175.29 174.63 2hfv s ASN 55 N 1.11 7.39 0.13 6.67 0.01 -1.26 -4.98 114.94 124.01 2hfv s ASN 55 Ca -0.06 1.69 -0.30 0.00 -0.71 0.00 0.00 52.86 53.48 2hfv s ASN 55 Cb -0.05 -2.52 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 2hfv s ASN 55 CO -0.11 0.15 1.08 -0.04 -1.51 0.00 0.00 177.10 176.68 2hfv s MET 56 N -1.34 4.58 0.08 -0.60 -1.94 -1.26 -5.02 119.30 113.80 2hfv s MET 56 Ca 0.39 1.66 -0.26 0.00 -1.71 0.00 0.00 55.69 55.77 2hfv s MET 56 Cb -0.22 -3.32 -0.06 0.00 2.01 0.00 0.00 34.83 33.23 2hfv s MET 56 CO 0.26 0.03 0.80 -1.12 -0.01 0.00 0.00 175.02 174.98 2hfv s SER 57 N 0.22 7.30 -0.88 3.03 0.01 -1.26 -5.00 113.70 117.12 2hfv s SER 57 Ca 0.51 1.55 -0.23 0.00 1.31 0.00 0.00 55.95 59.08 2hfv s SER 57 Cb -0.28 -2.49 0.06 0.00 0.21 0.00 0.00 66.02 63.52 2hfv s SER 57 CO 0.32 0.05 1.27 -0.51 0.41 0.00 0.00 173.24 174.79 2hfv s ILE 58 N -0.32 4.08 -0.06 1.44 2.07 -1.26 -4.62 121.20 122.53 2hfv s ILE 58 Ca 0.39 -0.56 -0.01 0.00 -1.41 0.00 0.00 60.65 59.06 2hfv s ILE 58 Cb -0.22 -4.92 0.03 0.00 0.13 0.00 0.00 42.46 37.49 2hfv s ILE 58 CO 0.25 -1.77 0.01 -0.22 -1.91 0.00 0.00 174.94 171.30 2hfv s LEU 59 N 4.61 0.60 -1.36 8.50 2.96 -1.26 -4.83 118.68 127.90 2hfv s LEU 59 Ca 0.37 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 2hfv s LEU 59 Cb -0.05 -0.39 0.02 0.00 0.50 0.00 0.00 46.19 46.28 2hfv s LEU 59 CO -0.01 -0.19 1.02 -0.62 -1.32 0.00 0.00 176.35 175.24 2hfv n GLU 60 N 5.05 -6.64 0.00 1.98 -0.58 -1.26 -4.26 120.64 114.92 2hfv n GLU 60 Ca -0.09 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 2hfv n GLU 60 Cb 0.50 -5.68 0.00 0.00 -0.57 0.00 0.00 31.44 25.69 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hfv n GLY 61 N -1.68 1.35 2.68 0.62 0.00 -1.26 -4.73 105.19 102.18 2hfv n GLY 61 Ca -0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 2hfv n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hfv n SER 62 N 0.00 -1.59 -4.24 1.61 2.88 -1.26 -4.81 113.62 106.21 2hfv n SER 62 Ca 0.00 -2.38 -0.39 0.00 -1.33 0.00 0.00 58.87 54.76 2hfv n SER 62 Cb 0.00 1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 64.67 2hfv n SER 62 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2hfv s LEU 63 N -1.93 5.09 -0.31 2.46 1.02 -1.26 -5.02 118.68 118.74 2hfv s LEU 63 Ca 0.18 -1.59 -0.03 0.00 0.02 0.00 0.00 54.13 52.71 2hfv s LEU 63 Cb 0.26 -1.94 0.11 0.00 0.02 0.00 0.00 46.19 44.64 2hfv s LEU 63 CO -0.11 -0.52 0.14 -0.83 0.02 0.00 0.00 176.35 175.05 2hfv s GLY 64 N 2.03 0.63 -1.32 -3.19 0.00 -1.26 -4.91 107.32 99.30 2hfv s GLY 64 Ca 0.03 -1.31 -0.16 0.00 0.00 0.00 0.00 44.72 43.28 2hfv s GLY 64 CO 0.01 2.02 1.79 -0.62 0.00 0.00 0.00 173.10 176.30 2hfv n VAL 65 N 4.97 3.92 -3.92 1.40 0.31 -1.26 -4.87 118.33 118.88 2hfv n VAL 65 Ca -0.02 -4.02 -0.28 0.00 -0.01 0.00 0.00 64.34 60.01 2hfv n VAL 65 Cb 0.41 -2.42 -0.17 0.00 -0.91 0.00 0.00 33.84 30.76 2hfv n VAL 65 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2hfv s ILE 66 N 3.42 1.16 -0.28 2.52 1.09 -1.26 -5.11 121.20 122.75 2hfv s ILE 66 Ca 0.50 -0.50 -0.29 0.00 -1.10 0.00 0.00 60.65 59.26 2hfv s ILE 66 Cb 0.05 -1.23 -0.01 0.00 -1.06 0.00 0.00 42.46 40.21 2hfv s ILE 66 CO 0.03 0.28 1.52 -2.84 -0.10 0.00 0.00 174.94 173.83 2hfv s PRO 67 N 1.63 3.76 0.31 2.79 0.02 -1.26 -4.99 135.00 137.27 2hfv s PRO 67 Ca 0.03 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.19 2hfv s PRO 67 Cb -0.14 -4.00 -0.10 0.00 0.02 0.00 0.00 34.50 30.28 2hfv s PRO 67 CO -0.08 -1.33 1.25 0.50 -0.33 0.00 0.00 177.00 177.01 2hfv s ARG 68 N 4.64 4.43 0.19 5.54 3.52 -1.25 -4.87 118.95 131.16 2hfv s ARG 68 Ca 0.67 2.10 0.09 0.00 -0.13 0.00 0.00 55.73 58.45 2hfv s ARG 68 Cb -0.21 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 2hfv s ARG 68 CO 0.28 -0.08 -0.08 1.03 -0.81 0.00 0.00 175.30 175.64 2hfv s ARG 69 N -1.64 2.10 -0.21 5.12 0.52 -1.26 -3.29 118.95 120.29 2hfv s ARG 69 Ca 0.48 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 2hfv s ARG 69 Cb -0.38 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 2hfv s ARG 69 CO 0.49 0.43 -0.07 0.08 0.02 0.00 0.00 175.30 176.25 2hfv s VAL 70 N -1.80 3.20 0.01 3.52 1.01 0.15 -3.59 120.40 122.90 2hfv s VAL 70 Ca 0.26 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2hfv s VAL 70 Cb -0.08 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2hfv s VAL 70 CO 0.16 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 174.79 2hfv s LEU 71 N 1.36 2.72 0.08 3.92 1.02 0.22 -0.28 118.68 127.72 2hfv s LEU 71 Ca 0.04 -0.32 -0.04 0.00 0.02 0.00 0.00 54.13 53.84 2hfv s LEU 71 Cb -0.14 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 2hfv s LEU 71 CO -0.04 0.28 0.06 0.68 0.02 0.00 0.00 176.35 177.35 2hfv s VAL 72 N -0.88 0.18 0.37 -1.59 -7.23 -1.00 -0.91 120.40 109.34 2hfv s VAL 72 Ca 0.14 -1.62 -0.26 0.00 -1.81 0.00 0.00 61.98 58.43 2hfv s VAL 72 Cb -0.11 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.20 2hfv s VAL 72 CO 0.04 -0.81 1.13 -1.38 -0.31 0.00 0.00 175.10 173.77 2hfv s HIS 73 N -3.92 3.25 0.34 2.82 -3.43 -1.26 -0.59 115.29 112.50 2hfv s HIS 73 Ca 0.09 1.61 0.05 0.00 -0.80 0.00 0.00 55.06 56.00 2hfv s HIS 73 Cb 0.07 -3.31 0.69 0.00 -1.43 0.00 0.00 32.58 28.60 2hfv s HIS 73 CO -0.09 -0.97 1.94 1.49 -2.00 0.00 0.00 174.74 175.11 2hfv h GLU 74 N 2.94 0.80 0.00 -0.38 4.81 -1.43 -2.47 114.58 118.85 2hfv h GLU 74 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2hfv h GLU 74 Cb 1.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2hfv h GLU 74 CO 0.64 0.53 0.00 0.38 -0.73 0.00 0.00 179.01 179.82 2hfv h ASP 75 N 0.82 0.00 -0.10 1.04 3.04 -1.92 -1.78 116.42 117.53 2hfv h ASP 75 Ca 0.35 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.14 2hfv h ASP 75 Cb 0.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.59 2hfv h ASP 75 CO -0.13 0.00 0.00 -0.67 -2.04 0.00 0.00 179.24 176.40 2hfv n ASP 76 N -2.92 2.58 -0.33 4.15 2.03 -0.93 -4.61 116.55 116.51 2hfv n ASP 76 Ca -0.01 -2.56 -0.01 0.00 0.52 0.00 0.00 54.79 52.73 2hfv n ASP 76 Cb 0.16 -0.28 0.11 0.00 -0.72 0.00 0.00 41.12 40.39 2hfv n ASP 76 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2hfv h LEU 77 N 0.60 0.99 -0.98 -2.67 -0.00 -1.34 -1.54 115.31 110.36 2hfv h LEU 77 Ca 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 2hfv h LEU 77 Cb 0.87 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 41.24 2hfv h LEU 77 CO 0.04 0.68 0.63 0.00 -0.00 0.00 0.00 178.44 179.80 2hfv h ALA 78 N 1.36 1.32 -0.05 1.53 0.00 -1.82 -0.30 119.26 121.30 2hfv h ALA 78 Ca 0.35 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2hfv h ALA 78 Cb -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2hfv h ALA 78 CO -0.11 0.48 -0.20 0.78 0.00 0.00 0.00 179.25 180.21 2hfv h GLY 79 N 1.20 0.25 1.01 0.00 0.00 -1.73 -3.08 103.07 100.71 2hfv h GLY 79 Ca 0.40 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 2hfv h GLY 79 CO -0.14 0.30 0.28 0.00 0.00 0.00 0.00 176.54 176.97 2hfv h ALA 80 N 0.42 0.86 -0.27 3.60 0.00 -1.10 -2.34 119.26 120.43 2hfv h ALA 80 Ca -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2hfv h ALA 80 Cb 0.84 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2hfv h ALA 80 CO 0.04 0.47 0.14 0.00 0.00 0.00 0.00 179.25 179.90 2hfv h ARG 81 N 0.94 0.28 -0.58 0.00 3.08 -1.14 0.15 114.38 117.12 2hfv h ARG 81 Ca 0.22 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.31 2hfv h ARG 81 Cb 0.19 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 2hfv h ARG 81 CO -0.02 0.19 0.29 -0.09 -1.07 0.00 0.00 179.97 179.27 2hfv h ARG 82 N 0.29 0.53 0.16 0.04 2.43 -1.42 0.11 114.38 116.53 2hfv h ARG 82 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2hfv h ARG 82 Cb 0.03 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2hfv h ARG 82 CO -0.07 0.35 -0.08 1.25 -1.51 0.00 0.00 179.97 179.91 2hfv h LEU 83 N 0.55 -0.18 -1.05 3.80 5.85 -0.87 -1.63 115.31 121.78 2hfv h LEU 83 Ca 0.26 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2hfv h LEU 83 Cb 0.19 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2hfv h LEU 83 CO -0.19 0.09 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.51 2hfv h LEU 84 N -0.46 0.00 -0.00 2.25 3.38 -0.50 0.22 115.31 120.21 2hfv h LEU 84 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2hfv h LEU 84 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2hfv h LEU 84 CO 0.04 0.42 -0.05 0.74 0.09 0.00 0.00 178.44 179.67 2hfv h THR 85 N 0.00 1.60 -0.02 0.22 2.02 -0.75 -0.29 112.91 115.69 2hfv h THR 85 Ca -0.00 -1.84 -0.15 0.00 0.77 0.00 0.00 66.41 65.18 2hfv h THR 85 Cb 0.84 2.83 0.01 0.00 -1.74 0.00 0.00 68.15 70.10 2hfv h THR 85 CO 0.05 0.48 -0.58 -0.78 0.37 0.00 0.00 175.52 175.07 2hfv h ASP 86 N -0.71 0.54 -0.15 4.18 3.58 -1.21 -3.33 116.42 119.33 2hfv h ASP 86 Ca -0.01 -0.74 -0.00 0.00 0.42 0.00 0.00 57.03 56.71 2hfv h ASP 86 Cb 0.82 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 2hfv h ASP 86 CO 0.01 1.20 -0.00 0.00 -2.88 0.00 0.00 179.24 177.57 2hfv n ALA 87 N -2.58 2.69 -1.04 -0.78 0.00 0.06 -4.81 120.51 114.06 2hfv n ALA 87 Ca -0.10 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.87 2hfv n ALA 87 Cb 0.65 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.18 0.00 0.00 0.00 -0.86 -4.92 105.19 98.66 2hfv n GLY 88 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.95 0.00 0.00 0.99 -0.00 -0.17 -5.01 117.00 111.86 2hfv n LEU 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2hfv n LEU 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2hfv n LEU 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 2hfv n ALA 90 N 0.00 0.00 0.04 1.47 0.00 -1.12 -4.81 120.51 116.09 2hfv n ALA 90 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2hfv n ALA 90 Cb 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 2hfv n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2hfv h HIS 91 N 0.00 0.29 -0.00 0.00 -0.00 -1.93 -3.31 115.15 110.19 2hfv h HIS 91 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 2hfv h HIS 91 Cb 0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2hfv h HIS 91 CO 0.33 1.27 0.00 0.39 -0.00 0.00 0.00 177.93 179.92 2hfv n GLU 92 N -3.35 1.06 -1.96 5.26 -0.58 -1.26 -4.59 120.64 115.21 2hfv n GLU 92 Ca -0.15 -0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.07 2hfv n GLU 92 Cb 1.03 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.43 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 -1.88 3.94 0.00 -4.62 1.43 -1.25 -2.39 118.68 113.91 2hfv s LEU 93 Ca 0.42 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2hfv s LEU 93 Cb 0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2hfv s LEU 93 CO 0.33 -1.31 0.00 -1.14 0.23 0.00 0.00 176.35 174.46 2hfv n ARG 94 N 7.76 0.00 -4.45 1.70 0.63 0.47 -4.78 116.66 118.00 2hfv n ARG 94 Ca 0.20 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.92 2hfv n ARG 94 Cb 0.44 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.25 2hfv n ARG 94 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2hfv s SER 95 N 0.00 2.58 -0.19 6.15 1.04 -1.25 -4.57 113.70 117.45 2hfv s SER 95 Ca 0.00 -1.30 0.12 0.00 0.48 0.00 0.00 55.95 55.26 2hfv s SER 95 Cb 0.00 -0.13 0.69 0.00 0.10 0.00 0.00 66.02 66.68 2hfv s SER 95 CO 0.00 -0.50 1.56 -0.90 0.98 0.00 0.00 173.24 174.39 2hfv n ASP 96 N -0.65 4.95 -0.30 7.02 5.75 -1.26 -4.33 116.55 127.72 2hfv n ASP 96 Ca -0.04 -2.74 0.15 0.00 -0.01 0.00 0.00 54.79 52.15 2hfv n ASP 96 Cb 0.65 -0.64 0.68 0.00 -1.03 0.00 0.00 41.12 40.78 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42