#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 -1.45 3.25 3.03 0.00 -1.26 -5.08 105.19 103.68 2hfv n GLY 2 Ca 0.00 0.54 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 2hfv n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hfv s SER 3 N 0.00 5.79 -0.27 1.61 0.01 -1.26 -5.03 113.70 114.55 2hfv s SER 3 Ca 0.00 -1.79 0.03 0.00 1.31 0.00 0.00 55.95 55.49 2hfv s SER 3 Cb 0.00 -2.05 0.07 0.00 0.21 0.00 0.00 66.02 64.25 2hfv s SER 3 CO 0.00 -0.69 -0.06 -0.94 0.41 0.00 0.00 173.24 171.96 2hfv s SER 4 N 2.72 4.36 -0.16 2.44 1.04 -1.26 -5.10 113.70 117.75 2hfv s SER 4 Ca 0.05 -1.51 -0.01 0.00 0.48 0.00 0.00 55.95 54.95 2hfv s SER 4 Cb -0.26 -1.46 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 2hfv s SER 4 CO 0.01 -0.25 -0.11 -1.38 0.98 0.00 0.00 173.24 172.49 2hfv s HIS 5 N 1.14 2.86 -0.36 5.02 -0.00 -1.26 -5.04 115.29 117.65 2hfv s HIS 5 Ca -0.04 -0.75 0.06 0.00 -0.00 0.00 0.00 55.06 54.34 2hfv s HIS 5 Cb -0.19 -1.92 0.18 0.00 -0.00 0.00 0.00 32.58 30.65 2hfv s HIS 5 CO -0.07 -0.31 0.55 -3.38 -0.00 0.00 0.00 174.74 171.53 2hfv s HIS 6 N 0.67 -1.44 0.04 0.38 0.00 -1.26 -5.15 115.29 108.52 2hfv s HIS 6 Ca -0.06 0.29 -0.12 0.00 -3.00 0.00 0.00 55.06 52.17 2hfv s HIS 6 Cb -0.15 0.14 0.01 0.00 -4.00 0.00 0.00 32.58 28.58 2hfv s HIS 6 CO 0.02 -1.10 0.27 -3.38 -1.00 0.00 0.00 174.74 169.55 2hfv s HIS 7 N 2.11 -0.05 -0.16 0.38 0.00 -1.26 -5.17 115.29 111.13 2hfv s HIS 7 Ca 0.14 -0.11 -0.22 0.00 -3.00 0.00 0.00 55.06 51.87 2hfv s HIS 7 Cb -0.08 0.05 0.06 0.00 -4.00 0.00 0.00 32.58 28.61 2hfv s HIS 7 CO -0.14 -0.47 0.58 -3.38 -1.00 0.00 0.00 174.74 170.32 2hfv s HIS 8 N -2.51 -0.60 -0.34 0.38 0.00 -1.26 -5.12 115.29 105.84 2hfv s HIS 8 Ca -0.05 1.35 -0.00 0.00 -3.00 0.00 0.00 55.06 53.35 2hfv s HIS 8 Cb -0.01 0.25 0.14 0.00 -4.00 0.00 0.00 32.58 28.95 2hfv s HIS 8 CO -0.03 -0.38 0.20 -1.58 -1.00 0.00 0.00 174.74 171.95 2hfv s HIS 9 N -0.17 0.68 -0.19 0.38 5.65 -1.26 -5.09 115.29 115.29 2hfv s HIS 9 Ca -0.04 -1.54 -0.04 0.00 0.25 0.00 0.00 55.06 53.69 2hfv s HIS 9 Cb -0.03 -0.92 0.08 0.00 -1.18 0.00 0.00 32.58 30.53 2hfv s HIS 9 CO 0.03 -0.83 0.14 -1.58 -0.65 0.00 0.00 174.74 171.86 2hfv s HIS 10 N 1.19 0.02 0.55 3.88 2.46 -1.26 -5.14 115.29 116.99 2hfv s HIS 10 Ca 0.17 -0.16 -0.08 0.00 0.47 0.00 0.00 55.06 55.46 2hfv s HIS 10 Cb -0.22 -0.58 0.12 0.00 -0.13 0.00 0.00 32.58 31.77 2hfv s HIS 10 CO -0.03 -0.58 0.75 0.45 -2.47 0.00 0.00 174.74 172.86 2hfv n SER 11 N 5.29 0.19 -4.45 9.88 2.88 -1.26 -4.94 113.62 121.21 2hfv n SER 11 Ca -0.06 -1.35 -0.43 0.00 -1.33 0.00 0.00 58.87 55.70 2hfv n SER 11 Cb 0.49 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2hfv n SER 11 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2hfv n SER 12 N -3.41 4.83 -4.30 -3.46 7.64 -1.26 -4.92 113.62 108.74 2hfv n SER 12 Ca 0.10 -2.92 -0.32 0.00 1.01 0.00 0.00 58.87 56.74 2hfv n SER 12 Cb 0.34 -1.72 -0.16 0.00 -1.01 0.00 0.00 64.21 61.67 2hfv n SER 12 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2hfv s GLY 13 N 3.89 1.37 -0.29 0.23 0.00 -1.26 -5.10 107.32 106.16 2hfv s GLY 13 Ca 0.52 -1.00 -0.14 0.00 0.00 0.00 0.00 44.72 44.09 2hfv s GLY 13 CO 0.05 -0.54 0.81 -1.60 0.00 0.00 0.00 173.10 171.82 2hfv s ARG 14 N -0.06 0.51 -0.41 2.90 3.52 -1.26 -5.09 118.95 119.05 2hfv s ARG 14 Ca -0.06 1.04 0.07 0.00 -0.13 0.00 0.00 55.73 56.65 2hfv s ARG 14 Cb -0.14 0.37 0.22 0.00 -1.56 0.00 0.00 34.95 33.83 2hfv s ARG 14 CO 0.05 -0.13 0.50 -1.91 -0.81 0.00 0.00 175.30 172.99 2hfv n GLU 15 N 4.57 0.54 -3.27 5.12 0.00 -1.26 -5.05 120.64 121.29 2hfv n GLU 15 Ca -0.15 -3.03 -0.05 0.00 0.00 0.00 0.00 57.16 53.92 2hfv n GLU 15 Cb 0.55 -1.39 -0.05 0.00 0.00 0.00 0.00 31.44 30.55 2hfv n GLU 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2hfv s ASN 16 N -0.74 -0.27 0.00 4.31 2.20 -1.26 -4.61 114.94 114.57 2hfv s ASN 16 Ca 0.34 0.10 0.25 0.00 -0.94 0.00 0.00 52.86 52.60 2hfv s ASN 16 Cb 0.13 1.43 0.41 0.00 -2.00 0.00 0.00 41.25 41.22 2hfv s ASN 16 CO -0.15 -0.31 1.35 0.18 -2.94 0.00 0.00 177.10 175.23 2hfv n LEU 17 N 5.38 1.37 -4.13 3.54 4.77 -1.26 -4.77 117.00 121.90 2hfv n LEU 17 Ca -0.00 -0.44 -0.34 0.00 -0.03 0.00 0.00 56.01 55.19 2hfv n LEU 17 Cb 0.51 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 2hfv n LEU 17 CO 0.01 0.26 -0.37 -0.47 -1.33 0.00 0.00 177.39 175.49 2hfv s TYR 18 N -2.54 3.33 -0.12 -1.77 5.04 -1.26 -5.09 117.35 114.93 2hfv s TYR 18 Ca 0.21 -2.12 -0.20 0.00 -2.44 0.00 0.00 57.07 52.52 2hfv s TYR 18 Cb 0.19 -2.20 -0.04 0.00 0.35 0.00 0.00 41.96 40.26 2hfv s TYR 18 CO 0.57 -0.85 0.55 0.12 -1.34 0.00 0.00 175.55 174.60 2hfv s PHE 19 N 1.18 3.50 -0.25 4.97 5.36 -1.26 -4.90 117.98 126.58 2hfv s PHE 19 Ca -0.04 0.97 -0.14 0.00 -0.96 0.00 0.00 56.93 56.76 2hfv s PHE 19 Cb -0.20 -2.65 -0.15 0.00 -0.34 0.00 0.00 43.02 39.67 2hfv s PHE 19 CO -0.03 0.08 -0.14 0.94 -1.46 0.00 0.00 175.22 174.61 2hfv n GLN 20 N 3.97 0.60 0.00 10.12 -0.06 -1.26 -5.06 117.38 125.69 2hfv n GLN 20 Ca -0.05 0.34 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 2hfv n GLN 20 Cb 0.51 -1.58 0.00 0.00 -4.06 0.00 0.00 30.24 25.11 2hfv n GLN 20 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2hfv n GLY 21 N 1.43 1.88 2.03 1.69 0.00 -1.26 -4.95 105.19 106.02 2hfv n GLY 21 Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -1.97 -4.14 1.61 8.25 -1.26 -5.12 115.22 112.59 2hfv n HIS 22 Ca 0.00 0.41 -0.14 0.00 -0.26 0.00 0.00 57.72 57.72 2hfv n HIS 22 Cb 0.00 1.04 -0.11 0.00 1.12 0.00 0.00 29.99 32.03 2hfv n HIS 22 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hfv s LEU 23 N -6.02 2.35 -0.04 2.41 1.43 -1.26 -3.98 118.68 113.57 2hfv s LEU 23 Ca 0.00 -0.72 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2hfv s LEU 23 Cb 0.00 -0.29 -0.00 0.00 0.03 0.00 0.00 46.19 45.93 2hfv s LEU 23 CO 0.00 -0.23 -0.17 -0.13 0.23 0.00 0.00 176.35 176.05 2hfv s ARG 24 N -2.36 1.74 -0.32 1.70 0.52 -0.86 -4.93 118.95 114.43 2hfv s ARG 24 Ca 0.00 -0.59 -0.28 0.00 -0.52 0.00 0.00 55.73 54.34 2hfv s ARG 24 Cb -0.05 -1.52 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 2hfv s ARG 24 CO 0.00 0.24 1.74 -2.00 0.02 0.00 0.00 175.30 175.30 2hfv s GLU 25 N 0.04 3.42 -0.19 3.54 2.12 -1.26 -2.47 118.70 123.90 2hfv s GLU 25 Ca -0.04 1.42 -0.19 0.00 0.36 0.00 0.00 54.97 56.52 2hfv s GLU 25 Cb -0.11 -4.16 -0.16 0.00 0.26 0.00 0.00 34.13 29.95 2hfv s GLU 25 CO 0.02 -1.76 0.18 1.25 -0.54 0.00 0.00 175.26 174.41 2hfv h LEU 26 N 13.29 0.00 -7.41 2.70 5.85 -1.55 -3.46 115.31 124.73 2hfv h LEU 26 Ca -0.33 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 57.84 2hfv h LEU 26 Cb 1.16 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.99 2hfv h LEU 26 CO 1.03 1.28 -0.20 -1.48 -0.34 0.00 0.00 178.44 178.74 2hfv s LEU 27 N -7.99 0.57 -0.01 2.25 2.34 -1.22 -1.53 118.68 113.10 2hfv s LEU 27 Ca -0.25 0.25 0.00 0.00 0.06 0.00 0.00 54.13 54.20 2hfv s LEU 27 Cb 0.04 1.48 0.01 0.00 -0.56 0.00 0.00 46.19 47.16 2hfv s LEU 27 CO 0.51 -0.45 0.00 -0.60 -1.06 0.00 0.00 176.35 174.76 2hfv s ARG 28 N -1.17 0.04 0.22 1.48 3.00 -1.16 -1.36 118.95 120.00 2hfv s ARG 28 Ca -0.12 0.03 -0.06 0.00 -1.00 0.00 0.00 55.73 54.58 2hfv s ARG 28 Cb -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 34.95 34.82 2hfv s ARG 28 CO 0.05 -0.03 0.40 -2.37 0.00 0.00 0.00 175.30 173.35 2hfv n THR 29 N 3.36 0.00 0.66 4.11 5.66 0.76 -4.88 114.28 123.95 2hfv n THR 29 Ca -0.16 -0.72 0.08 0.00 -3.05 0.00 0.00 64.05 60.19 2hfv n THR 29 Cb 0.57 0.60 0.02 0.00 -1.55 0.00 0.00 70.33 69.97 2hfv n THR 29 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2hfv n ASN 30 N -1.47 1.79 -4.61 1.09 5.03 -1.26 -0.87 115.26 114.96 2hfv n ASN 30 Ca -0.03 -1.40 -0.34 0.00 0.87 0.00 0.00 54.58 53.68 2hfv n ASN 30 Cb 0.34 0.32 -0.10 0.00 -1.02 0.00 0.00 39.78 39.32 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 -1.64 5.12 0.09 6.41 2.15 -1.26 -4.81 116.67 122.72 2hfv s ASP 31 Ca 0.14 0.03 0.23 0.00 0.43 0.00 0.00 52.55 53.38 2hfv s ASP 31 Cb 0.12 -1.65 -0.03 0.00 -0.30 0.00 0.00 42.92 41.06 2hfv s ASP 31 CO 0.32 0.27 0.94 0.00 -0.17 0.00 0.00 175.17 176.53 2hfv n ALA 32 N 2.87 3.00 0.13 3.66 0.00 -1.26 -3.95 120.51 124.96 2hfv n ALA 32 Ca -0.18 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 2hfv n ALA 32 Cb 0.53 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 0.82 -0.34 0.00 2.07 -1.99 -0.85 116.25 115.95 2hfv h VAL 33 Ca 0.00 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2hfv h VAL 33 Cb 0.87 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2hfv h VAL 33 CO 0.00 0.11 0.00 0.25 0.02 0.00 0.00 177.57 177.95 2hfv h LEU 34 N -0.59 0.49 -1.16 2.57 5.85 -2.01 -2.04 115.31 118.42 2hfv h LEU 34 Ca -0.03 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 2hfv h LEU 34 Cb 0.43 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2hfv h LEU 34 CO 0.06 0.56 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.35 2hfv h LEU 35 N 0.51 0.21 -1.34 2.25 3.38 -1.65 -1.56 115.31 117.11 2hfv h LEU 35 Ca 0.11 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2hfv h LEU 35 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2hfv h LEU 35 CO 0.01 0.51 -0.32 0.28 0.09 0.00 0.00 178.44 179.01 2hfv h SER 36 N 0.19 0.00 -0.10 -0.43 0.02 -0.41 0.42 113.55 113.24 2hfv h SER 36 Ca 0.03 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 2hfv h SER 36 Cb 0.62 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.17 2hfv h SER 36 CO 0.05 0.32 -0.65 0.00 -1.14 0.00 0.00 176.83 175.41 2hfv h ALA 37 N 1.68 0.22 -0.38 3.77 0.00 -1.18 -2.51 119.26 120.86 2hfv h ALA 37 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2hfv h ALA 37 Cb 0.62 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2hfv h ALA 37 CO 0.04 0.50 0.15 0.28 0.00 0.00 0.00 179.25 180.23 2hfv h VAL 38 N 0.26 1.19 -0.95 0.00 2.07 -0.78 -2.67 116.25 115.37 2hfv h VAL 38 Ca -0.05 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2hfv h VAL 38 Cb 1.30 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 2hfv h VAL 38 CO 0.13 0.21 0.63 1.23 0.02 0.00 0.00 177.57 179.79 2hfv h GLY 39 N 0.46 1.36 1.67 2.17 0.00 -0.22 -1.55 103.07 106.97 2hfv h GLY 39 Ca 0.13 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2hfv h GLY 39 CO -0.01 0.46 0.06 0.00 0.00 0.00 0.00 176.54 177.05 2hfv h ALA 40 N 1.37 1.56 0.07 3.60 0.00 -1.26 0.29 119.26 124.88 2hfv h ALA 40 Ca 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2hfv h ALA 40 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2hfv h ALA 40 CO -0.09 0.33 -0.03 -0.07 0.00 0.00 0.00 179.25 179.38 2hfv h LEU 41 N 0.42 -0.08 -0.21 0.00 3.38 -0.99 -1.21 115.31 116.62 2hfv h LEU 41 Ca 0.10 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2hfv h LEU 41 Cb 0.19 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2hfv h LEU 41 CO -0.00 0.39 0.07 -0.07 0.09 0.00 0.00 178.44 178.92 2hfv h LEU 42 N -0.57 0.31 -1.39 1.67 3.38 -1.04 -2.69 115.31 114.99 2hfv h LEU 42 Ca -0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 2hfv h LEU 42 Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2hfv h LEU 42 CO 0.02 0.43 -0.31 -0.78 0.09 0.00 0.00 178.44 177.89 2hfv h ASP 43 N 0.17 0.00 0.49 -0.43 1.82 -0.51 0.21 116.42 118.17 2hfv h ASP 43 Ca 0.07 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.63 2hfv h ASP 43 Cb 0.23 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2hfv h ASP 43 CO -0.00 0.31 -0.37 1.23 -1.61 0.00 0.00 179.24 178.80 2hfv h GLY 44 N 1.02 0.00 -2.42 -0.78 0.00 -0.94 -2.20 103.07 97.75 2hfv h GLY 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 -2.41 2.63 -1.39 3.60 0.00 -0.69 -4.90 120.51 117.35 2hfv n ALA 45 Ca -0.01 -1.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.12 2hfv n ALA 45 Cb 0.43 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 1.16 -4.67 -4.59 0.00 2.03 -0.83 -4.96 116.55 104.69 2hfv n ASP 46 Ca 0.21 0.33 -0.43 0.00 0.52 0.00 0.00 54.79 55.42 2hfv n ASP 46 Cb 0.61 -3.34 -0.04 0.00 -0.72 0.00 0.00 41.12 37.63 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 -2.47 4.57 0.04 5.18 1.01 0.64 -4.97 121.20 125.19 2hfv s ILE 47 Ca 0.00 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 2hfv s ILE 47 Cb 0.00 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 2hfv s ILE 47 CO 0.00 -0.60 1.90 -0.83 0.00 0.00 0.00 174.94 175.41 2hfv s GLY 48 N 1.97 1.45 -0.10 6.18 0.00 -1.26 -3.85 107.32 111.70 2hfv s GLY 48 Ca 0.38 1.29 -0.01 0.00 0.00 0.00 0.00 44.72 46.37 2hfv s GLY 48 CO 0.20 3.36 -0.04 -2.38 0.00 0.00 0.00 173.10 174.24 2hfv s HIS 49 N 4.16 3.01 -0.75 1.90 -3.43 -1.26 -3.97 115.29 114.96 2hfv s HIS 49 Ca 0.85 -0.06 -0.18 0.00 -0.80 0.00 0.00 55.06 54.87 2hfv s HIS 49 Cb -0.42 -1.82 0.14 0.00 -1.43 0.00 0.00 32.58 29.06 2hfv s HIS 49 CO 0.39 0.23 0.85 -1.17 -2.00 0.00 0.00 174.74 173.03 2hfv s LEU 50 N -0.40 5.61 -0.27 5.38 1.98 0.20 -4.96 118.68 126.21 2hfv s LEU 50 Ca 0.06 -1.90 0.00 0.00 -2.89 0.00 0.00 54.13 49.41 2hfv s LEU 50 Cb -0.12 -2.31 0.08 0.00 0.66 0.00 0.00 46.19 44.50 2hfv s LEU 50 CO 0.02 -0.98 0.03 -0.69 -1.89 0.00 0.00 176.35 172.84 2hfv s VAL 51 N 2.11 1.33 -0.32 1.68 1.01 -1.26 -2.80 120.40 122.15 2hfv s VAL 51 Ca 0.19 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 2hfv s VAL 51 Cb -0.15 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2hfv s VAL 51 CO -0.02 -0.40 0.15 -0.22 0.00 0.00 0.00 175.10 174.62 2hfv s LEU 52 N 1.43 4.15 -0.12 3.92 1.98 -1.26 -5.07 118.68 123.71 2hfv s LEU 52 Ca 0.03 -0.59 -0.22 0.00 -2.89 0.00 0.00 54.13 50.47 2hfv s LEU 52 Cb -0.18 -1.99 -0.03 0.00 0.66 0.00 0.00 46.19 44.64 2hfv s LEU 52 CO -0.13 -0.21 0.64 1.51 -1.89 0.00 0.00 176.35 176.27 2hfv s ASP 53 N 1.60 6.85 -0.55 3.68 -4.77 -1.26 -4.96 116.67 117.25 2hfv s ASP 53 Ca 0.04 1.02 -0.03 0.00 -3.30 0.00 0.00 52.55 50.28 2hfv s ASP 53 Cb -0.17 -2.37 0.14 0.00 -1.09 0.00 0.00 42.92 39.43 2hfv s ASP 53 CO 0.06 -0.15 0.36 -1.58 0.70 0.00 0.00 175.17 174.56 2hfv s GLN 54 N 1.12 2.39 -0.16 2.11 0.74 -1.26 -5.05 119.66 119.56 2hfv s GLN 54 Ca 0.33 -2.26 0.00 0.00 0.05 0.00 0.00 55.36 53.49 2hfv s GLN 54 Cb -0.17 -3.70 0.02 0.00 1.10 0.00 0.00 33.01 30.27 2hfv s GLN 54 CO 0.14 -1.14 -0.14 -0.80 -0.55 0.00 0.00 175.29 172.80 2hfv s ASN 55 N 1.18 2.78 -0.11 6.67 0.01 -1.26 -5.00 114.94 119.22 2hfv s ASN 55 Ca 0.13 -0.54 -0.08 0.00 -0.71 0.00 0.00 52.86 51.66 2hfv s ASN 55 Cb -0.21 -1.20 -0.03 0.00 0.41 0.00 0.00 41.25 40.22 2hfv s ASN 55 CO -0.04 -0.06 -0.16 0.80 -1.51 0.00 0.00 177.10 176.13 2hfv n MET 56 N 4.76 0.33 -3.59 -0.60 0.00 -1.26 -5.06 117.12 111.69 2hfv n MET 56 Ca -0.17 0.34 -0.15 0.00 -0.00 0.00 0.00 57.70 57.73 2hfv n MET 56 Cb 0.50 -1.31 -0.07 0.00 0.00 0.00 0.00 33.22 32.34 2hfv n MET 56 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2hfv s SER 57 N -5.13 -0.67 -1.11 6.12 0.01 -1.26 -5.08 113.70 106.58 2hfv s SER 57 Ca -0.13 1.10 -0.22 0.00 1.31 0.00 0.00 55.95 58.01 2hfv s SER 57 Cb 0.02 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.31 2hfv s SER 57 CO 0.20 -0.36 1.75 -0.51 0.41 0.00 0.00 173.24 174.73 2hfv s ILE 58 N -0.21 3.79 -0.37 1.44 2.07 -1.26 -4.90 121.20 121.76 2hfv s ILE 58 Ca -0.03 -1.04 -0.04 0.00 -1.41 0.00 0.00 60.65 58.12 2hfv s ILE 58 Cb -0.03 -4.77 0.08 0.00 0.13 0.00 0.00 42.46 37.87 2hfv s ILE 58 CO 0.03 -1.54 0.15 -0.22 -1.91 0.00 0.00 174.94 171.45 2hfv s LEU 59 N 7.20 4.77 -0.47 8.50 2.96 -1.26 -4.81 118.68 135.56 2hfv s LEU 59 Ca 0.58 -1.63 -0.18 0.00 -0.22 0.00 0.00 54.13 52.68 2hfv s LEU 59 Cb -0.00 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.88 2hfv s LEU 59 CO 0.02 -0.44 0.62 -0.62 -1.32 0.00 0.00 176.35 174.61 2hfv n GLU 60 N 4.68 -2.20 -0.70 1.98 -0.58 -1.26 -4.86 120.64 117.70 2hfv n GLU 60 Ca -0.08 1.92 -0.13 0.00 -0.42 0.00 0.00 57.16 58.46 2hfv n GLU 60 Cb 0.43 -4.97 0.05 0.00 -0.57 0.00 0.00 31.44 26.38 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 -0.44 3.53 1.33 0.62 0.00 -1.26 -4.02 105.19 104.95 2hfv n GLY 61 Ca 0.06 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 0.15 3.99 -4.04 1.61 7.64 -1.26 -4.93 113.62 116.77 2hfv n SER 62 Ca 0.26 -3.23 -0.17 0.00 1.01 0.00 0.00 58.87 56.75 2hfv n SER 62 Cb 0.77 -0.63 -0.13 0.00 -1.01 0.00 0.00 64.21 63.21 2hfv n SER 62 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2hfv s LEU 63 N -2.96 2.11 -1.15 -3.43 2.96 -1.26 -5.06 118.68 109.88 2hfv s LEU 63 Ca 0.47 -0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 53.86 2hfv s LEU 63 Cb 0.39 -0.37 -0.07 0.00 0.50 0.00 0.00 46.19 46.64 2hfv s LEU 63 CO 0.09 0.00 1.91 0.61 -1.32 0.00 0.00 176.35 177.64 2hfv n GLY 64 N 2.33 1.60 3.80 7.98 0.00 -1.26 -4.92 105.19 114.72 2hfv n GLY 64 Ca -0.17 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2hfv n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfv s VAL 65 N 8.82 4.83 -0.11 1.61 1.01 -1.26 -4.88 120.40 130.42 2hfv s VAL 65 Ca 0.64 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2hfv s VAL 65 Cb 0.03 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.19 2hfv s VAL 65 CO 0.12 0.31 0.10 -0.38 0.00 0.00 0.00 175.10 175.25 2hfv n ILE 66 N 1.02 -7.80 -2.33 2.22 2.08 -1.26 -4.89 119.36 108.40 2hfv n ILE 66 Ca -0.12 1.30 -0.38 0.00 0.56 0.00 0.00 62.75 64.11 2hfv n ILE 66 Cb 0.52 -5.17 -0.03 0.00 -0.75 0.00 0.00 39.64 34.22 2hfv n ILE 66 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 2hfv s PRO 67 N -0.83 3.01 -0.04 0.38 0.02 -1.26 -4.59 135.00 131.68 2hfv s PRO 67 Ca -0.11 -0.14 -0.16 0.00 0.02 0.00 0.00 61.00 60.61 2hfv s PRO 67 Cb 0.01 -4.56 -0.05 0.00 0.02 0.00 0.00 34.50 29.92 2hfv s PRO 67 CO 0.40 -2.49 0.43 1.03 -0.33 0.00 0.00 177.00 176.04 2hfv s ARG 68 N 6.16 4.09 -0.03 5.54 1.81 -0.05 -4.92 118.95 131.55 2hfv s ARG 68 Ca 0.51 0.41 -0.07 0.00 -1.72 0.00 0.00 55.73 54.86 2hfv s ARG 68 Cb -0.08 -3.30 0.01 0.00 -0.45 0.00 0.00 34.95 31.13 2hfv s ARG 68 CO 0.10 0.49 0.16 -0.98 -0.68 0.00 0.00 175.30 174.40 2hfv s ARG 69 N -0.45 0.35 -0.19 3.54 1.70 -1.26 -0.17 118.95 122.47 2hfv s ARG 69 Ca 0.24 -0.07 -0.06 0.00 -0.47 0.00 0.00 55.73 55.37 2hfv s ARG 69 Cb -0.16 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.34 2hfv s ARG 69 CO 0.12 -0.07 0.04 0.08 -1.08 0.00 0.00 175.30 174.39 2hfv s VAL 70 N -0.65 4.44 -0.07 4.99 1.01 -0.47 -4.71 120.40 124.94 2hfv s VAL 70 Ca -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2hfv s VAL 70 Cb -0.04 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2hfv s VAL 70 CO 0.01 0.44 -0.12 -0.76 0.00 0.00 0.00 175.10 174.66 2hfv s LEU 71 N 0.68 2.83 0.26 3.92 1.02 -1.12 -1.46 118.68 124.81 2hfv s LEU 71 Ca 0.02 -0.18 0.07 0.00 0.02 0.00 0.00 54.13 54.05 2hfv s LEU 71 Cb -0.14 -1.60 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 2hfv s LEU 71 CO 0.02 0.31 0.24 0.68 0.02 0.00 0.00 176.35 177.62 2hfv s VAL 72 N -0.51 4.45 -0.15 -1.59 -7.23 -1.03 -0.63 120.40 113.71 2hfv s VAL 72 Ca 0.07 -1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2hfv s VAL 72 Cb -0.12 -3.45 0.08 0.00 0.56 0.00 0.00 36.38 33.46 2hfv s VAL 72 CO 0.02 -0.32 2.11 1.41 -0.31 0.00 0.00 175.10 178.01 2hfv n HIS 73 N -1.25 0.72 -3.43 2.82 8.25 -1.25 -2.04 115.22 119.04 2hfv n HIS 73 Ca -0.07 -1.47 0.04 0.00 -0.26 0.00 0.00 57.72 55.95 2hfv n HIS 73 Cb 0.58 -0.78 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 2hfv n HIS 73 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2hfv n GLU 74 N 1.03 -0.58 0.00 -0.41 1.02 -1.26 -4.85 120.64 115.59 2hfv n GLU 74 Ca 0.17 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2hfv n GLU 74 Cb 0.55 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 2hfv n GLU 74 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hfv n ASP 75 N -1.96 0.00 -1.56 1.62 2.03 -1.26 -4.36 116.55 111.06 2hfv n ASP 75 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 2hfv n ASP 75 Cb 0.13 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 2hfv n ASP 75 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2hfv n ASP 76 N 1.79 5.49 0.02 1.67 8.00 -1.26 -4.25 116.55 128.00 2hfv n ASP 76 Ca 0.00 -2.49 -0.12 0.00 0.71 0.00 0.00 54.79 52.88 2hfv n ASP 76 Cb 0.00 -1.13 -0.08 0.00 -0.02 0.00 0.00 41.12 39.89 2hfv n ASP 76 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2hfv h LEU 77 N 2.98 0.00 -0.72 0.64 -0.00 -1.84 0.60 115.31 116.97 2hfv h LEU 77 Ca 0.04 -0.21 -0.14 0.00 -0.00 0.00 0.00 57.88 57.57 2hfv h LEU 77 Cb 1.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 2hfv h LEU 77 CO 0.10 0.22 -0.52 0.00 -0.00 0.00 0.00 178.44 178.24 2hfv h ALA 78 N 0.79 0.90 0.22 1.53 0.00 -1.87 -1.56 119.26 119.27 2hfv h ALA 78 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2hfv h ALA 78 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2hfv h ALA 78 CO -0.00 0.67 -0.11 0.78 0.00 0.00 0.00 179.25 180.60 2hfv h GLY 79 N 1.30 -0.31 0.92 0.00 0.00 -1.80 -1.22 103.07 101.95 2hfv h GLY 79 Ca 0.01 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2hfv h GLY 79 CO 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 176.54 176.55 2hfv h ALA 80 N 0.33 0.49 -0.23 3.60 0.00 -0.88 -1.17 119.26 121.39 2hfv h ALA 80 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2hfv h ALA 80 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2hfv h ALA 80 CO 0.05 0.22 0.05 0.00 0.00 0.00 0.00 179.25 179.57 2hfv h ARG 81 N 0.45 0.14 -0.39 0.00 3.08 -1.26 0.13 114.38 116.53 2hfv h ARG 81 Ca 0.11 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 2hfv h ARG 81 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2hfv h ARG 81 CO 0.01 0.09 -0.20 -0.09 -1.07 0.00 0.00 179.97 178.71 2hfv h ARG 82 N 0.14 0.76 0.13 0.04 2.43 -1.18 -0.16 114.38 116.54 2hfv h ARG 82 Ca 0.11 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 2hfv h ARG 82 Cb 0.10 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2hfv h ARG 82 CO -0.14 0.90 -0.06 1.25 -1.51 0.00 0.00 179.97 180.41 2hfv h LEU 83 N 0.66 -0.15 -1.23 3.80 5.85 -0.65 0.65 115.31 124.25 2hfv h LEU 83 Ca 0.10 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2hfv h LEU 83 Cb 0.70 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2hfv h LEU 83 CO 0.05 -0.08 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.93 2hfv h LEU 84 N -0.21 0.41 -0.34 2.25 4.07 -0.66 -0.33 115.31 120.50 2hfv h LEU 84 Ca -0.02 -0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 2hfv h LEU 84 Cb 0.16 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2hfv h LEU 84 CO 0.03 0.54 -0.05 0.74 -1.08 0.00 0.00 178.44 178.62 2hfv h THR 85 N 0.41 1.27 -0.26 0.22 2.02 -0.70 -2.23 112.91 113.64 2hfv h THR 85 Ca 0.08 -1.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.09 2hfv h THR 85 Cb 0.40 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2hfv h THR 85 CO 0.02 0.35 -0.29 -0.78 0.37 0.00 0.00 175.52 175.18 2hfv h ASP 86 N 0.42 0.55 -0.54 4.18 3.58 -0.55 -2.86 116.42 121.21 2hfv h ASP 86 Ca 0.09 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.35 2hfv h ASP 86 Cb 0.53 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2hfv h ASP 86 CO 0.03 0.82 0.35 0.00 -2.88 0.00 0.00 179.24 177.55 2hfv h ALA 87 N 1.22 0.69 0.00 -0.78 0.00 -0.93 -3.47 119.26 115.98 2hfv h ALA 87 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2hfv h ALA 87 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2hfv h ALA 87 CO 0.06 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2hfv n GLY 88 N -1.25 1.45 1.51 0.00 0.00 -0.85 -4.99 105.19 101.06 2hfv n GLY 88 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 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 4.44 -4.57 0.99 -0.00 -1.15 -4.81 117.00 111.90 2hfv n LEU 89 Ca 0.00 -2.25 -0.26 0.00 -0.00 0.00 0.00 56.01 53.50 2hfv n LEU 89 Cb 0.00 -0.62 -0.06 0.00 -0.00 0.00 0.00 43.42 42.74 2hfv n LEU 89 CO 0.00 0.55 1.40 0.00 -0.00 0.00 0.00 177.39 179.33 2hfv s ALA 90 N -2.24 1.59 0.00 1.47 0.00 -1.19 -3.96 121.76 117.44 2hfv s ALA 90 Ca 0.40 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2hfv s ALA 90 Cb 0.30 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.80 2hfv s ALA 90 CO 0.13 -5.23 0.00 1.58 0.00 0.00 0.00 175.76 172.24 2hfv n HIS 91 N 14.83 -0.58 1.23 0.00 -0.00 -1.26 -4.85 115.22 124.58 2hfv n HIS 91 Ca 0.43 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.29 2hfv n HIS 91 Cb 0.47 0.40 0.69 0.00 -0.00 0.00 0.00 29.99 31.55 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 -2.31 0.24 -2.10 1.57 -0.58 -1.25 -4.81 120.64 111.39 2hfv n GLU 92 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 2hfv n GLU 92 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 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 -2.76 4.40 -0.18 -4.62 1.02 -1.26 -2.96 118.68 112.31 2hfv s LEU 93 Ca 0.22 2.56 -0.02 0.00 0.02 0.00 0.00 54.13 56.91 2hfv s LEU 93 Cb 0.20 -3.62 0.05 0.00 0.02 0.00 0.00 46.19 42.84 2hfv s LEU 93 CO 0.49 -0.63 -0.00 -0.60 0.02 0.00 0.00 176.35 175.63 2hfv s ARG 94 N -0.28 0.99 -0.29 1.70 6.06 -0.59 -4.98 118.95 121.56 2hfv s ARG 94 Ca 0.58 -0.46 0.02 0.00 -2.50 0.00 0.00 55.73 53.37 2hfv s ARG 94 Cb -0.40 -2.02 0.07 0.00 0.06 0.00 0.00 34.95 32.67 2hfv s ARG 94 CO 0.41 -0.54 -0.04 -1.12 -2.50 0.00 0.00 175.30 171.52 2hfv s SER 95 N 1.75 4.66 0.10 -2.12 0.01 -1.26 -4.72 113.70 112.12 2hfv s SER 95 Ca -0.00 -1.56 -0.30 0.00 1.31 0.00 0.00 55.95 55.39 2hfv s SER 95 Cb -0.16 -1.62 -0.06 0.00 0.21 0.00 0.00 66.02 64.39 2hfv s SER 95 CO -0.07 -0.26 1.09 -0.62 0.41 0.00 0.00 173.24 173.78 2hfv s ASP 96 N 1.13 7.26 0.00 2.44 -1.08 -1.26 -5.27 116.67 119.90 2hfv s ASP 96 Ca -0.03 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.95 2hfv s ASP 96 Cb -0.20 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 2hfv s ASP 96 CO -0.05 -0.28 0.00 -0.67 0.52 0.00 0.00 175.17 174.69