#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 2.65 2.77 3.03 0.00 -1.26 -5.09 105.19 107.29 2hfv n GLY 2 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 2hfv n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hfv s SER 3 N 0.00 4.00 -0.03 1.61 0.15 -1.26 -5.09 113.70 113.08 2hfv s SER 3 Ca 0.00 -2.14 -0.12 0.00 0.70 0.00 0.00 55.95 54.39 2hfv s SER 3 Cb 0.00 -1.07 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 2hfv s SER 3 CO 0.00 -0.35 0.26 -0.44 1.20 0.00 0.00 173.24 173.91 2hfv s SER 4 N 0.96 -0.15 -0.23 5.45 0.01 -1.26 -5.14 113.70 113.34 2hfv s SER 4 Ca 0.13 0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.46 2hfv s SER 4 Cb -0.21 0.34 0.08 0.00 0.21 0.00 0.00 66.02 66.44 2hfv s SER 4 CO -0.12 -0.35 0.09 -1.38 0.41 0.00 0.00 173.24 171.89 2hfv s HIS 5 N -1.04 0.67 -0.27 2.43 0.00 -1.26 -5.11 115.29 110.71 2hfv s HIS 5 Ca -0.11 -0.83 -0.10 0.00 -3.00 0.00 0.00 55.06 51.03 2hfv s HIS 5 Cb -0.05 -0.99 -0.04 0.00 -4.00 0.00 0.00 32.58 27.50 2hfv s HIS 5 CO 0.03 -0.68 0.14 -1.58 -1.00 0.00 0.00 174.74 171.65 2hfv s HIS 6 N 1.98 3.17 -0.99 0.38 5.04 -1.26 -5.02 115.29 118.59 2hfv s HIS 6 Ca 0.04 -0.14 -0.24 0.00 -1.54 0.00 0.00 55.06 53.19 2hfv s HIS 6 Cb -0.16 -2.33 -0.03 0.00 0.04 0.00 0.00 32.58 30.09 2hfv s HIS 6 CO -0.19 -0.26 1.85 -1.58 -2.34 0.00 0.00 174.74 172.22 2hfv s HIS 7 N 1.69 2.00 0.48 3.88 5.65 -1.26 -4.95 115.29 122.78 2hfv s HIS 7 Ca 0.07 0.26 -0.20 0.00 0.25 0.00 0.00 55.06 55.43 2hfv s HIS 7 Cb -0.16 -4.18 -0.09 0.00 -1.18 0.00 0.00 32.58 26.98 2hfv s HIS 7 CO 0.08 -1.68 1.02 -3.38 -0.65 0.00 0.00 174.74 170.13 2hfv s HIS 8 N 9.15 3.06 -0.30 3.88 -0.00 -1.26 -5.04 115.29 124.78 2hfv s HIS 8 Ca 0.65 1.58 -0.08 0.00 -0.00 0.00 0.00 55.06 57.21 2hfv s HIS 8 Cb -0.04 -3.02 0.19 0.00 -0.00 0.00 0.00 32.58 29.71 2hfv s HIS 8 CO 0.01 -0.70 0.94 -1.58 -0.00 0.00 0.00 174.74 173.41 2hfv s HIS 9 N -2.05 -0.80 0.11 0.38 5.65 -1.26 -5.17 115.29 112.15 2hfv s HIS 9 Ca 0.66 0.53 0.01 0.00 0.25 0.00 0.00 55.06 56.51 2hfv s HIS 9 Cb -0.15 0.16 -0.04 0.00 -1.18 0.00 0.00 32.58 31.38 2hfv s HIS 9 CO 0.20 -0.46 0.25 -1.01 -0.65 0.00 0.00 174.74 173.06 2hfv s HIS 10 N 2.93 3.50 0.61 3.88 4.02 -1.26 -5.11 115.29 123.86 2hfv s HIS 10 Ca 0.20 0.18 -0.07 0.00 1.02 0.00 0.00 55.06 56.39 2hfv s HIS 10 Cb -0.05 -1.71 0.01 0.00 -1.02 0.00 0.00 32.58 29.81 2hfv s HIS 10 CO -0.22 0.55 0.94 -1.54 1.02 0.00 0.00 174.74 175.50 2hfv s SER 11 N -2.88 5.57 -0.20 1.40 1.04 -1.26 -5.08 113.70 112.29 2hfv s SER 11 Ca 0.35 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.57 2hfv s SER 11 Cb -0.12 -1.77 -0.00 0.00 0.10 0.00 0.00 66.02 64.23 2hfv s SER 11 CO 0.28 -1.12 -0.09 -0.44 0.98 0.00 0.00 173.24 172.85 2hfv s SER 12 N -4.31 3.97 -0.30 7.02 0.01 -1.26 -5.05 113.70 113.78 2hfv s SER 12 Ca 0.55 -0.45 -0.08 0.00 1.31 0.00 0.00 55.95 57.28 2hfv s SER 12 Cb -0.11 -1.66 0.19 0.00 0.21 0.00 0.00 66.02 64.65 2hfv s SER 12 CO 0.47 0.01 0.93 -0.83 0.41 0.00 0.00 173.24 174.22 2hfv s GLY 13 N 1.30 -0.84 0.00 3.44 0.00 -1.26 -5.16 107.32 104.79 2hfv s GLY 13 Ca 0.04 2.07 0.08 0.00 0.00 0.00 0.00 44.72 46.90 2hfv s GLY 13 CO -0.05 3.89 -0.24 1.09 0.00 0.00 0.00 173.10 177.79 2hfv s ARG 14 N 2.92 2.05 -0.04 2.90 1.70 -1.26 -5.12 118.95 122.11 2hfv s ARG 14 Ca 0.16 -0.96 -0.02 0.00 -0.47 0.00 0.00 55.73 54.44 2hfv s ARG 14 Cb -0.07 -2.06 0.03 0.00 -0.57 0.00 0.00 34.95 32.28 2hfv s ARG 14 CO -0.20 0.55 0.05 -1.83 -1.08 0.00 0.00 175.30 172.79 2hfv s GLU 15 N -0.86 0.02 -0.34 3.89 1.03 -1.26 -5.11 118.70 116.07 2hfv s GLU 15 Ca 0.11 0.31 0.03 0.00 0.03 0.00 0.00 54.97 55.45 2hfv s GLU 15 Cb -0.10 -0.53 0.16 0.00 -0.80 0.00 0.00 34.13 32.86 2hfv s GLU 15 CO 0.00 -0.30 0.41 1.21 -1.33 0.00 0.00 175.26 175.25 2hfv s ASN 16 N 1.97 0.66 -0.37 0.83 2.47 -1.26 -5.08 114.94 114.15 2hfv s ASN 16 Ca 0.03 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.31 2hfv s ASN 16 Cb -0.12 0.90 0.13 0.00 -1.45 0.00 0.00 41.25 40.71 2hfv s ASN 16 CO -0.03 -0.30 0.20 -0.76 -3.72 0.00 0.00 177.10 172.50 2hfv s LEU 17 N 1.95 1.66 -0.37 3.21 1.02 -1.26 -5.08 118.68 119.81 2hfv s LEU 17 Ca 0.14 -2.22 -0.10 0.00 0.02 0.00 0.00 54.13 51.97 2hfv s LEU 17 Cb -0.13 -0.66 0.03 0.00 0.02 0.00 0.00 46.19 45.45 2hfv s LEU 17 CO -0.16 -0.31 0.19 -0.31 0.02 0.00 0.00 176.35 175.78 2hfv s TYR 18 N 0.95 3.25 0.01 0.29 2.02 -1.26 -5.00 117.35 117.62 2hfv s TYR 18 Ca 0.16 -1.08 -0.25 0.00 -0.37 0.00 0.00 57.07 55.53 2hfv s TYR 18 Cb -0.22 -2.45 -0.16 0.00 -0.40 0.00 0.00 41.96 38.73 2hfv s TYR 18 CO -0.04 -0.68 1.21 0.74 -1.57 0.00 0.00 175.55 175.21 2hfv h PHE 19 N 8.40 -0.43 -3.35 2.71 0.04 -2.03 -3.43 116.94 118.86 2hfv h PHE 19 Ca -0.25 -0.01 -0.65 0.00 2.80 0.00 0.00 57.97 59.86 2hfv h PHE 19 Cb 1.10 0.14 -0.18 0.00 2.20 0.00 0.00 35.95 39.21 2hfv h PHE 19 CO 0.58 -0.10 -0.64 1.14 -0.60 0.00 0.00 178.31 178.68 2hfv s GLN 20 N -4.64 3.38 -0.91 1.51 -2.07 -1.26 -5.03 119.66 110.64 2hfv s GLN 20 Ca -0.14 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 2hfv s GLN 20 Cb 0.02 -2.87 0.31 0.00 -1.09 0.00 0.00 33.01 29.38 2hfv s GLN 20 CO 0.53 0.45 1.42 0.41 -1.32 0.00 0.00 175.29 176.77 2hfv n GLY 21 N 2.92 5.58 2.56 2.60 0.00 -1.26 -4.75 105.19 112.84 2hfv n GLY 21 Ca -0.18 -2.67 -0.21 0.00 0.00 0.00 0.00 46.02 42.96 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 0.45 2.13 -0.89 1.61 -0.00 -1.26 -5.03 115.22 112.24 2hfv n HIS 22 Ca 0.35 -3.69 0.11 0.00 -0.00 0.00 0.00 57.72 54.50 2hfv n HIS 22 Cb 0.33 -0.40 -0.05 0.00 -0.00 0.00 0.00 29.99 29.87 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 -0.05 -0.56 -3.72 0.27 4.77 -1.26 -4.99 117.00 111.46 2hfv n LEU 23 Ca 0.27 1.29 -0.14 0.00 -0.03 0.00 0.00 56.01 57.40 2hfv n LEU 23 Cb 0.58 -2.69 -0.15 0.00 -2.33 0.00 0.00 43.42 38.83 2hfv n LEU 23 CO 0.28 -1.76 -0.22 -0.60 -1.33 0.00 0.00 177.39 173.77 2hfv s ARG 24 N -2.98 0.09 -0.13 3.23 3.00 0.10 -4.74 118.95 117.52 2hfv s ARG 24 Ca 0.00 0.45 -0.29 0.00 -1.00 0.00 0.00 55.73 54.88 2hfv s ARG 24 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 34.95 34.71 2hfv s ARG 24 CO 0.00 -0.21 1.63 -2.00 0.00 0.00 0.00 175.30 174.72 2hfv s GLU 25 N 1.50 4.01 -0.14 5.12 2.12 -1.26 -0.79 118.70 129.27 2hfv s GLU 25 Ca -0.06 1.95 -0.11 0.00 0.36 0.00 0.00 54.97 57.12 2hfv s GLU 25 Cb -0.12 -4.00 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 2hfv s GLU 25 CO -0.06 -1.03 -0.21 -0.11 -0.54 0.00 0.00 175.26 173.30 2hfv n LEU 26 N 7.70 1.63 -4.04 2.70 -0.00 0.48 -4.50 117.00 120.98 2hfv n LEU 26 Ca 0.18 0.49 -0.08 0.00 -0.00 0.00 0.00 56.01 56.59 2hfv n LEU 26 Cb 0.44 -0.79 -0.09 0.00 -0.00 0.00 0.00 43.42 42.98 2hfv n LEU 26 CO 0.63 -0.41 -0.26 -1.48 -0.00 0.00 0.00 177.39 175.87 2hfv s LEU 27 N -7.71 1.95 -0.02 -1.96 0.05 -1.08 -1.44 118.68 108.47 2hfv s LEU 27 Ca -0.17 -0.96 0.02 0.00 0.05 0.00 0.00 54.13 53.06 2hfv s LEU 27 Cb 0.02 0.50 0.01 0.00 -2.05 0.00 0.00 46.19 44.67 2hfv s LEU 27 CO 0.26 -0.69 -0.05 0.00 -0.55 0.00 0.00 176.35 175.32 2hfv s ARG 28 N -3.94 0.62 0.31 1.48 1.04 0.22 -0.67 118.95 118.00 2hfv s ARG 28 Ca 0.11 -0.17 -0.00 0.00 -1.04 0.00 0.00 55.73 54.63 2hfv s ARG 28 Cb 0.07 -0.62 -0.02 0.00 -2.04 0.00 0.00 34.95 32.34 2hfv s ARG 28 CO -0.07 0.05 0.36 -0.08 -0.04 0.00 0.00 175.30 175.52 2hfv s THR 29 N 0.28 0.00 -0.10 4.99 -1.32 0.19 -4.64 115.64 115.04 2hfv s THR 29 Ca -0.03 -1.77 0.02 0.00 -1.21 0.00 0.00 61.69 58.70 2hfv s THR 29 Cb -0.07 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 2hfv s THR 29 CO -0.00 0.00 0.10 -0.46 -2.21 0.00 0.00 174.62 172.04 2hfv n ASN 30 N -1.15 0.68 -4.87 8.08 0.23 -1.26 -0.66 115.26 116.30 2hfv n ASN 30 Ca 0.03 -0.48 -0.27 0.00 -0.53 0.00 0.00 54.58 53.32 2hfv n ASN 30 Cb 0.63 1.01 -0.04 0.00 -2.08 0.00 0.00 39.78 39.30 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 -1.37 5.96 -0.00 0.53 2.15 -1.26 -2.51 116.67 120.17 2hfv s ASP 31 Ca 0.01 0.05 0.09 0.00 0.43 0.00 0.00 52.55 53.13 2hfv s ASP 31 Cb 0.02 -1.70 -0.10 0.00 -0.30 0.00 0.00 42.92 40.83 2hfv s ASP 31 CO 0.10 0.08 0.36 0.00 -0.17 0.00 0.00 175.17 175.54 2hfv n ALA 32 N -0.29 3.06 0.04 3.66 0.00 -1.26 -4.49 120.51 121.23 2hfv n ALA 32 Ca -0.07 -0.25 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2hfv n ALA 32 Cb 0.54 -0.32 -0.13 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.16 0.00 2.07 -2.02 -3.22 116.25 114.38 2hfv h VAL 33 Ca 0.00 -2.39 -0.00 0.00 0.82 0.00 0.00 66.70 65.12 2hfv h VAL 33 Cb 0.24 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2hfv h VAL 33 CO 0.00 0.69 0.09 0.25 0.02 0.00 0.00 177.57 178.62 2hfv h LEU 34 N -0.22 0.18 -2.41 2.57 5.85 -2.02 -1.75 115.31 117.52 2hfv h LEU 34 Ca -0.13 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2hfv h LEU 34 Cb 1.58 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 2hfv h LEU 34 CO 0.15 0.15 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.30 2hfv h LEU 35 N 0.22 0.00 -0.48 2.25 3.38 -1.78 -2.12 115.31 116.78 2hfv h LEU 35 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hfv h LEU 35 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2hfv h LEU 35 CO -0.01 0.03 0.29 0.28 0.09 0.00 0.00 178.44 179.12 2hfv h SER 36 N 0.00 0.57 -0.42 -0.43 0.02 -1.41 0.27 113.55 112.15 2hfv h SER 36 Ca -0.00 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 2hfv h SER 36 Cb 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2hfv h SER 36 CO 0.00 0.46 -0.17 0.00 -1.14 0.00 0.00 176.83 175.98 2hfv h ALA 37 N 1.14 0.58 -0.47 3.77 0.00 -1.55 -1.93 119.26 120.80 2hfv h ALA 37 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2hfv h ALA 37 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2hfv h ALA 37 CO -0.03 0.52 0.31 0.28 0.00 0.00 0.00 179.25 180.33 2hfv h VAL 38 N 0.67 1.12 -0.43 0.00 2.07 -1.23 -1.87 116.25 116.59 2hfv h VAL 38 Ca 0.10 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2hfv h VAL 38 Cb 0.72 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2hfv h VAL 38 CO 0.05 0.12 0.16 1.23 0.02 0.00 0.00 177.57 179.15 2hfv h GLY 39 N 0.64 0.69 1.64 2.17 0.00 -0.39 -0.99 103.07 106.83 2hfv h GLY 39 Ca 0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2hfv h GLY 39 CO -0.04 0.36 0.22 0.00 0.00 0.00 0.00 176.54 177.08 2hfv h ALA 40 N 1.01 1.71 -0.05 3.60 0.00 -1.11 0.30 119.26 124.71 2hfv h ALA 40 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2hfv h ALA 40 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2hfv h ALA 40 CO -0.01 0.26 -0.14 -0.07 0.00 0.00 0.00 179.25 179.29 2hfv h LEU 41 N 0.49 0.22 -0.17 0.00 3.38 -0.90 -0.82 115.31 117.51 2hfv h LEU 41 Ca 0.13 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2hfv h LEU 41 Cb -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2hfv h LEU 41 CO -0.03 0.78 0.01 -0.07 0.09 0.00 0.00 178.44 179.22 2hfv h LEU 42 N -0.33 0.28 -0.71 1.67 3.38 -0.73 -0.90 115.31 117.98 2hfv h LEU 42 Ca -0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2hfv h LEU 42 Cb 0.75 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2hfv h LEU 42 CO 0.03 0.49 0.39 0.44 0.09 0.00 0.00 178.44 179.89 2hfv h ASP 43 N 0.05 0.88 -0.14 -0.43 5.19 -0.52 0.21 116.42 121.66 2hfv h ASP 43 Ca 0.05 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.27 2hfv h ASP 43 Cb 0.34 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 2hfv h ASP 43 CO 0.01 0.72 -0.23 1.23 -3.12 0.00 0.00 179.24 177.84 2hfv h GLY 44 N 0.97 0.63 -0.00 2.75 0.00 -0.99 -2.15 103.07 104.28 2hfv h GLY 44 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2hfv h GLY 44 CO -0.04 0.47 -0.00 0.00 0.00 0.00 0.00 176.54 176.97 2hfv n ALA 45 N -2.49 2.61 -3.04 3.60 0.00 -0.35 -4.91 120.51 115.94 2hfv n ALA 45 Ca -0.00 -0.37 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 2hfv n ALA 45 Cb 0.41 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.20 -5.90 -4.63 0.00 2.03 -0.59 -4.96 116.55 102.31 2hfv n ASP 46 Ca 0.21 -0.30 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 2hfv n ASP 46 Cb 0.28 -4.70 -0.06 0.00 -0.72 0.00 0.00 41.12 35.92 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 -3.16 4.95 0.29 5.18 1.01 0.64 -5.02 121.20 125.09 2hfv s ILE 47 Ca 0.32 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 2hfv s ILE 47 Cb -0.14 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 2hfv s ILE 47 CO 0.39 -0.01 1.38 0.61 0.00 0.00 0.00 174.94 177.32 2hfv n GLY 48 N 4.11 0.78 3.34 6.18 0.00 -1.26 -4.55 105.19 113.79 2hfv n GLY 48 Ca 0.01 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.49 -0.52 -0.29 1.61 -3.43 -1.26 -3.39 115.29 107.53 2hfv s HIS 49 Ca 0.62 1.24 0.01 0.00 -0.80 0.00 0.00 55.06 56.13 2hfv s HIS 49 Cb -0.59 0.19 0.08 0.00 -1.43 0.00 0.00 32.58 30.83 2hfv s HIS 49 CO 0.55 -0.26 0.03 -1.17 -2.00 0.00 0.00 174.74 171.89 2hfv s LEU 50 N 0.41 2.95 -0.28 5.38 0.20 0.20 -4.98 118.68 122.55 2hfv s LEU 50 Ca -0.01 -1.57 -0.28 0.00 0.69 0.00 0.00 54.13 52.95 2hfv s LEU 50 Cb -0.04 -1.15 0.01 0.00 -0.43 0.00 0.00 46.19 44.58 2hfv s LEU 50 CO -0.01 -0.34 1.03 -0.69 -0.29 0.00 0.00 176.35 176.04 2hfv s VAL 51 N 1.37 4.61 -0.60 1.68 1.01 -1.26 -0.61 120.40 126.60 2hfv s VAL 51 Ca 0.04 1.78 -0.20 0.00 0.00 0.00 0.00 61.98 63.60 2hfv s VAL 51 Cb -0.18 -4.34 0.09 0.00 0.00 0.00 0.00 36.38 31.95 2hfv s VAL 51 CO -0.13 -0.34 0.75 -0.22 0.00 0.00 0.00 175.10 175.16 2hfv s LEU 52 N 3.40 5.12 0.23 3.92 0.20 0.12 -4.99 118.68 126.68 2hfv s LEU 52 Ca 0.43 -1.27 0.06 0.00 0.69 0.00 0.00 54.13 54.04 2hfv s LEU 52 Cb -0.13 -2.35 -0.05 0.00 -0.43 0.00 0.00 46.19 43.23 2hfv s LEU 52 CO 0.12 -1.16 -0.09 1.51 -0.29 0.00 0.00 176.35 176.44 2hfv s ASP 53 N 3.53 2.42 -0.41 3.68 1.47 -1.26 -2.78 116.67 123.32 2hfv s ASP 53 Ca 0.14 -1.11 0.04 0.00 1.18 0.00 0.00 52.55 52.80 2hfv s ASP 53 Cb -0.22 -0.11 0.11 0.00 -0.34 0.00 0.00 42.92 42.36 2hfv s ASP 53 CO 0.08 -0.30 0.14 -1.58 0.68 0.00 0.00 175.17 174.18 2hfv s GLN 54 N -3.72 1.70 -0.74 2.11 0.74 -1.26 -5.05 119.66 113.44 2hfv s GLN 54 Ca 0.25 -2.16 -0.21 0.00 0.05 0.00 0.00 55.36 53.29 2hfv s GLN 54 Cb 0.02 -3.27 0.09 0.00 1.10 0.00 0.00 33.01 30.95 2hfv s GLN 54 CO 0.08 -1.01 1.00 1.21 -0.55 0.00 0.00 175.29 176.02 2hfv s ASN 55 N 0.50 6.30 0.44 6.67 2.47 -1.26 -5.00 114.94 125.07 2hfv s ASN 55 Ca 0.13 -1.32 0.00 0.00 0.42 0.00 0.00 52.86 52.09 2hfv s ASN 55 Cb -0.22 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2hfv s ASN 55 CO -0.05 -1.32 0.00 0.23 -3.72 0.00 0.00 177.10 172.24 2hfv n MET 56 N 7.32 0.56 -1.12 0.43 2.81 -1.26 -5.06 117.12 120.79 2hfv n MET 56 Ca 0.04 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.60 2hfv n MET 56 Cb 0.46 0.00 0.12 0.00 -0.71 0.00 0.00 33.22 33.10 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 -1.00 3.64 -0.10 7.83 0.01 -1.26 -4.84 113.70 117.98 2hfv s SER 57 Ca 0.00 2.33 -0.29 0.00 1.31 0.00 0.00 55.95 59.30 2hfv s SER 57 Cb 0.00 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 2hfv s SER 57 CO 0.00 -2.63 2.11 -0.51 0.41 0.00 0.00 173.24 172.61 2hfv s ILE 58 N -2.21 3.01 0.05 1.44 1.10 -1.26 -4.93 121.20 118.40 2hfv s ILE 58 Ca 0.72 0.01 -0.16 0.00 -0.51 0.00 0.00 60.65 60.71 2hfv s ILE 58 Cb -0.28 -3.01 0.03 0.00 0.15 0.00 0.00 42.46 39.35 2hfv s ILE 58 CO 0.51 -0.00 0.36 -0.22 -2.11 0.00 0.00 174.94 173.47 2hfv s LEU 59 N 6.56 0.62 0.08 8.50 2.96 -1.26 -5.13 118.68 131.01 2hfv s LEU 59 Ca 0.95 -0.10 -0.31 0.00 -0.22 0.00 0.00 54.13 54.45 2hfv s LEU 59 Cb -0.37 1.57 -0.08 0.00 0.50 0.00 0.00 46.19 47.80 2hfv s LEU 59 CO 0.38 -0.65 1.53 -1.83 -1.32 0.00 0.00 176.35 174.46 2hfv s GLU 60 N -2.58 4.24 0.00 1.98 -1.05 -1.26 -4.69 118.70 115.34 2hfv s GLU 60 Ca -0.05 2.20 0.00 0.00 -0.15 0.00 0.00 54.97 56.98 2hfv s GLU 60 Cb -0.01 -3.45 0.00 0.00 -0.44 0.00 0.00 34.13 30.23 2hfv s GLU 60 CO -0.03 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 175.97 2hfv n GLY 61 N 3.78 1.79 1.03 -3.83 0.00 -1.26 -5.10 105.19 101.60 2hfv n GLY 61 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.63 -4.68 1.61 2.88 -1.26 -4.73 113.62 108.06 2hfv n SER 62 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2hfv n SER 62 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2hfv n SER 62 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2hfv s LEU 63 N -5.05 4.22 0.00 2.46 2.96 -1.26 -2.69 118.68 119.31 2hfv s LEU 63 Ca 0.00 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 2hfv s LEU 63 Cb 0.00 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.62 2hfv s LEU 63 CO 0.00 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 2hfv n GLY 64 N 3.43 1.61 0.31 7.98 0.00 -1.04 -4.66 105.19 112.81 2hfv n GLY 64 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 2hfv n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hfv h VAL 65 N 0.00 1.19 -3.68 1.61 2.07 -1.88 -3.36 116.25 112.20 2hfv h VAL 65 Ca 0.00 -0.58 -0.69 0.00 0.82 0.00 0.00 66.70 66.26 2hfv h VAL 65 Cb 0.00 0.55 -0.30 0.00 -1.52 0.00 0.00 31.29 30.02 2hfv h VAL 65 CO 0.00 0.23 -0.66 -0.63 0.02 0.00 0.00 177.57 176.53 2hfv s ILE 66 N -5.37 3.43 0.20 4.57 1.09 -1.10 -5.00 121.20 119.03 2hfv s ILE 66 Ca -0.09 -1.16 -0.31 0.00 -1.10 0.00 0.00 60.65 57.99 2hfv s ILE 66 Cb 0.16 -2.91 -0.10 0.00 -1.06 0.00 0.00 42.46 38.55 2hfv s ILE 66 CO 0.78 -0.08 1.49 -2.16 -0.10 0.00 0.00 174.94 174.86 2hfv s PRO 67 N 1.35 4.25 -0.35 2.79 0.04 -1.26 -4.82 135.00 136.99 2hfv s PRO 67 Ca -0.02 2.32 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 2hfv s PRO 67 Cb -0.19 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2hfv s PRO 67 CO 0.01 -0.50 0.23 1.03 0.04 0.00 0.00 177.00 177.80 2hfv s ARG 68 N 0.36 3.22 0.01 4.56 1.81 0.16 -4.64 118.95 124.44 2hfv s ARG 68 Ca 0.64 -0.82 0.07 0.00 -1.72 0.00 0.00 55.73 53.89 2hfv s ARG 68 Cb -0.42 -3.77 -0.02 0.00 -0.45 0.00 0.00 34.95 30.28 2hfv s ARG 68 CO 0.37 -0.55 -0.20 -0.98 -0.68 0.00 0.00 175.30 173.26 2hfv s ARG 69 N 1.66 1.48 -0.19 3.54 1.70 -1.12 0.57 118.95 126.59 2hfv s ARG 69 Ca 0.05 -0.81 -0.05 0.00 -0.47 0.00 0.00 55.73 54.45 2hfv s ARG 69 Cb -0.18 -1.51 -0.02 0.00 -0.57 0.00 0.00 34.95 32.67 2hfv s ARG 69 CO 0.09 0.40 -0.01 0.08 -1.08 0.00 0.00 175.30 174.78 2hfv s VAL 70 N -0.62 3.90 -0.04 4.99 1.01 0.15 0.12 120.40 129.91 2hfv s VAL 70 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2hfv s VAL 70 Cb -0.08 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2hfv s VAL 70 CO 0.00 0.44 0.03 -0.76 0.00 0.00 0.00 175.10 174.81 2hfv s LEU 71 N 0.91 3.68 0.00 3.92 1.02 0.22 -0.39 118.68 128.04 2hfv s LEU 71 Ca 0.01 0.12 0.04 0.00 0.02 0.00 0.00 54.13 54.31 2hfv s LEU 71 Cb -0.14 -2.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.05 2hfv s LEU 71 CO 0.02 0.32 0.15 1.33 0.02 0.00 0.00 176.35 178.19 2hfv n VAL 72 N 1.67 0.00 -1.37 -1.59 0.24 0.03 0.58 118.33 117.89 2hfv n VAL 72 Ca -0.16 -2.10 -0.32 0.00 -2.04 0.00 0.00 64.34 59.72 2hfv n VAL 72 Cb 0.53 0.80 0.08 0.00 -1.47 0.00 0.00 33.84 33.79 2hfv n VAL 72 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2hfv s HIS 73 N -2.95 2.47 0.19 6.34 3.76 -1.22 0.01 115.29 123.90 2hfv s HIS 73 Ca 0.21 1.58 -0.07 0.00 -0.15 0.00 0.00 55.06 56.63 2hfv s HIS 73 Cb 0.01 -3.14 0.11 0.00 1.11 0.00 0.00 32.58 30.67 2hfv s HIS 73 CO 0.15 -1.90 1.61 1.05 -0.85 0.00 0.00 174.74 174.79 2hfv h GLU 74 N -0.79 0.91 -0.16 1.40 9.09 -1.92 -1.07 114.58 122.04 2hfv h GLU 74 Ca -0.45 -0.36 -0.22 0.00 0.05 0.00 0.00 59.36 58.38 2hfv h GLU 74 Cb 1.24 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 28.31 2hfv h GLU 74 CO 0.51 1.01 -0.78 0.22 0.05 0.00 0.00 179.01 180.03 2hfv h ASP 75 N 0.79 0.95 0.82 3.06 3.58 -2.00 -3.05 116.42 120.57 2hfv h ASP 75 Ca 0.11 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2hfv h ASP 75 Cb 0.73 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2hfv h ASP 75 CO 0.06 1.42 0.00 0.47 -2.88 0.00 0.00 179.24 178.31 2hfv n ASP 76 N -3.94 0.00 -0.18 2.28 8.00 -1.19 -3.53 116.55 118.00 2hfv n ASP 76 Ca -0.07 0.35 -0.02 0.00 0.71 0.00 0.00 54.79 55.76 2hfv n ASP 76 Cb 0.75 -0.45 0.08 0.00 -0.02 0.00 0.00 41.12 41.48 2hfv n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2hfv h LEU 77 N 0.00 0.20 -1.30 0.64 7.12 -1.08 0.10 115.31 120.99 2hfv h LEU 77 Ca 0.00 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 2hfv h LEU 77 Cb 0.41 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 2hfv h LEU 77 CO 0.00 0.13 0.39 0.00 -0.13 0.00 0.00 178.44 178.83 2hfv h ALA 78 N 1.38 1.48 0.06 1.25 0.00 -1.75 -0.27 119.26 121.40 2hfv h ALA 78 Ca 0.27 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2hfv h ALA 78 Cb 0.31 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2hfv h ALA 78 CO -0.28 0.46 -0.46 0.78 0.00 0.00 0.00 179.25 179.75 2hfv h GLY 79 N 0.92 0.24 0.78 0.00 0.00 -1.55 -3.19 103.07 100.27 2hfv h GLY 79 Ca 0.23 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2hfv h GLY 79 CO -0.04 0.47 0.01 0.00 0.00 0.00 0.00 176.54 176.97 2hfv h ALA 80 N 0.13 0.18 0.00 3.60 0.00 -0.62 0.68 119.26 123.23 2hfv h ALA 80 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2hfv h ALA 80 Cb 1.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2hfv h ALA 80 CO 0.09 -0.14 -0.10 0.07 0.00 0.00 0.00 179.25 179.17 2hfv h ARG 81 N -0.02 0.00 0.02 0.00 0.11 -1.21 0.55 114.38 113.82 2hfv h ARG 81 Ca 0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.08 2hfv h ARG 81 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2hfv h ARG 81 CO 0.01 0.10 -0.17 -0.09 0.10 0.00 0.00 179.97 179.92 2hfv h ARG 82 N 0.00 0.08 0.01 0.08 2.43 -1.49 -3.14 114.38 112.35 2hfv h ARG 82 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2hfv h ARG 82 Cb 0.51 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2hfv h ARG 82 CO 0.01 0.97 -0.02 1.25 -1.51 0.00 0.00 179.97 180.67 2hfv h LEU 83 N -0.76 -0.06 -1.55 3.80 5.85 -0.32 0.12 115.31 122.39 2hfv h LEU 83 Ca -0.03 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2hfv h LEU 83 Cb 1.05 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2hfv h LEU 83 CO 0.03 -0.04 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.79 2hfv h LEU 84 N -0.05 0.00 0.17 2.25 3.38 -1.08 -1.98 115.31 118.01 2hfv h LEU 84 Ca 0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2hfv h LEU 84 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2hfv h LEU 84 CO -0.01 0.24 -1.49 0.74 0.09 0.00 0.00 178.44 178.00 2hfv h THR 85 N 0.00 1.23 -0.05 0.22 2.02 -1.40 0.40 112.91 115.32 2hfv h THR 85 Ca -0.00 -2.79 -0.13 0.00 0.77 0.00 0.00 66.41 64.26 2hfv h THR 85 Cb 0.48 2.88 0.01 0.00 -1.74 0.00 0.00 68.15 69.78 2hfv h THR 85 CO 0.03 0.84 -0.47 -0.78 0.37 0.00 0.00 175.52 175.51 2hfv h ASP 86 N 0.10 0.50 -0.21 4.18 3.58 -0.78 -3.40 116.42 120.39 2hfv h ASP 86 Ca -0.24 -0.69 -0.20 0.00 0.42 0.00 0.00 57.03 56.31 2hfv h ASP 86 Cb 2.06 -0.15 -0.36 0.00 1.72 0.00 0.00 39.33 42.60 2hfv h ASP 86 CO 0.20 1.12 -0.97 0.00 -2.88 0.00 0.00 179.24 176.72 2hfv n ALA 87 N -2.55 2.60 -0.93 -0.78 0.00 -0.76 -4.98 120.51 113.11 2hfv n ALA 87 Ca -0.09 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.03 2hfv n ALA 87 Cb 0.59 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.23 0.17 2.15 0.00 0.00 -0.76 -4.92 105.19 101.60 2hfv n GLY 88 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.10 -2.65 -0.35 0.99 -0.00 0.13 -5.01 117.00 109.01 2hfv n LEU 89 Ca 0.00 0.60 -0.05 0.00 -0.00 0.00 0.00 56.01 56.57 2hfv n LEU 89 Cb 0.00 2.61 -0.02 0.00 -0.00 0.00 0.00 43.42 46.01 2hfv n LEU 89 CO 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 177.39 177.32 2hfv n ALA 90 N -3.17 -0.07 -0.05 1.47 0.00 -1.04 -4.80 120.51 112.86 2hfv n ALA 90 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2hfv n ALA 90 Cb 0.00 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 17.96 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 -2.27 0.00 1.07 0.00 -0.00 -1.26 -4.39 115.22 108.37 2hfv n HIS 91 Ca -0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.79 2hfv n HIS 91 Cb 0.45 -0.60 0.12 0.00 -0.00 0.00 0.00 29.99 29.95 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 -2.38 1.48 -2.40 1.57 -0.58 -1.26 -4.94 120.64 112.14 2hfv n GLU 92 Ca -0.17 -1.17 -0.41 0.00 -0.42 0.00 0.00 57.16 54.99 2hfv n GLU 92 Cb 0.79 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 30.15 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 -2.32 4.46 -0.39 -4.62 1.02 -1.26 -0.61 118.68 114.96 2hfv s LEU 93 Ca 0.23 2.21 0.06 0.00 0.02 0.00 0.00 54.13 56.66 2hfv s LEU 93 Cb 0.19 -3.61 0.18 0.00 0.02 0.00 0.00 46.19 42.97 2hfv s LEU 93 CO 0.48 -0.34 0.56 -0.60 0.02 0.00 0.00 176.35 176.46 2hfv s ARG 94 N -0.29 0.74 -0.84 1.70 6.06 -0.52 -4.89 118.95 120.89 2hfv s ARG 94 Ca 0.52 -0.32 0.01 0.00 -2.50 0.00 0.00 55.73 53.44 2hfv s ARG 94 Cb -0.32 -0.10 0.31 0.00 0.06 0.00 0.00 34.95 34.90 2hfv s ARG 94 CO 0.37 -1.17 1.31 0.43 -2.50 0.00 0.00 175.30 173.73 2hfv n SER 95 N 4.50 5.69 -0.49 -2.12 7.64 -1.24 -4.53 113.62 123.06 2hfv n SER 95 Ca 0.10 -3.58 -0.06 0.00 1.01 0.00 0.00 58.87 56.34 2hfv n SER 95 Cb 0.54 -0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 2hfv n SER 95 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2hfv n ASP 96 N 0.37 -5.05 0.00 6.43 8.00 -1.26 -5.14 116.55 119.90 2hfv n ASP 96 Ca 0.35 0.16 0.00 0.00 0.71 0.00 0.00 54.79 56.01 2hfv n ASP 96 Cb 0.34 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 2hfv n ASP 96 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14