#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 0.91 3.55 -5.12 0.00 -1.26 -5.02 105.19 98.25 2hfv n GLY 2 Ca 0.00 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.09 5.97 -0.30 1.61 0.01 -1.26 -4.95 113.70 112.69 2hfv s SER 3 Ca 0.00 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 2hfv s SER 3 Cb 0.00 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.77 2hfv s SER 3 CO 0.00 -1.95 0.08 -0.55 0.41 0.00 0.00 173.24 171.22 2hfv s SER 4 N 4.71 4.06 0.02 2.44 0.15 -1.26 -5.10 113.70 118.72 2hfv s SER 4 Ca 0.42 -1.63 -0.27 0.00 0.70 0.00 0.00 55.95 55.17 2hfv s SER 4 Cb -0.09 -0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2hfv s SER 4 CO 0.16 -0.39 0.85 -1.00 1.20 0.00 0.00 173.24 174.06 2hfv s HIS 5 N 1.51 3.70 -0.25 3.44 4.02 -1.26 -5.03 115.29 121.41 2hfv s HIS 5 Ca 0.08 1.56 -0.12 0.00 1.02 0.00 0.00 55.06 57.61 2hfv s HIS 5 Cb -0.18 -2.95 -0.05 0.00 -1.02 0.00 0.00 32.58 28.38 2hfv s HIS 5 CO -0.20 0.14 0.22 -1.01 1.02 0.00 0.00 174.74 174.91 2hfv s HIS 6 N 0.44 3.28 -0.14 1.40 0.09 -1.26 -5.05 115.29 114.06 2hfv s HIS 6 Ca 0.44 0.25 -0.02 0.00 -0.00 0.00 0.00 55.06 55.74 2hfv s HIS 6 Cb -0.21 -2.37 0.04 0.00 -0.00 0.00 0.00 32.58 30.05 2hfv s HIS 6 CO 0.25 -0.05 -0.01 -3.38 -0.00 0.00 0.00 174.74 171.55 2hfv s HIS 7 N 1.43 1.10 0.00 1.40 0.00 -1.26 -4.96 115.29 113.00 2hfv s HIS 7 Ca 0.09 -0.66 0.00 0.00 -3.00 0.00 0.00 55.06 51.49 2hfv s HIS 7 Cb -0.15 -1.03 0.00 0.00 -4.00 0.00 0.00 32.58 27.40 2hfv s HIS 7 CO 0.08 -0.51 0.00 1.58 -1.00 0.00 0.00 174.74 174.89 2hfv n HIS 8 N 5.03 0.00 -2.15 0.38 -0.00 -1.26 -4.94 115.22 112.28 2hfv n HIS 8 Ca -0.09 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.69 2hfv n HIS 8 Cb 0.48 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.33 2hfv n HIS 8 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2hfv n HIS 9 N -0.11 3.71 -0.04 1.57 -0.00 -1.26 -4.52 115.22 114.57 2hfv n HIS 9 Ca 0.00 -2.44 -0.13 0.00 -0.00 0.00 0.00 57.72 55.15 2hfv n HIS 9 Cb 0.00 -2.52 -0.14 0.00 -0.00 0.00 0.00 29.99 27.32 2hfv n HIS 9 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2hfv n HIS 10 N 9.28 0.73 -2.74 4.41 -0.00 -1.26 -4.81 115.22 120.82 2hfv n HIS 10 Ca 0.49 0.22 -0.43 0.00 -0.00 0.00 0.00 57.72 58.00 2hfv n HIS 10 Cb 0.44 -1.12 -0.03 0.00 -0.00 0.00 0.00 29.99 29.28 2hfv n HIS 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2hfv s SER 11 N -6.24 6.72 -0.20 0.26 1.04 -1.26 -5.00 113.70 109.02 2hfv s SER 11 Ca -0.14 0.66 -0.05 0.00 0.48 0.00 0.00 55.95 56.90 2hfv s SER 11 Cb 0.07 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.77 2hfv s SER 11 CO 0.79 -0.92 0.10 -0.55 0.98 0.00 0.00 173.24 173.64 2hfv s SER 12 N 1.92 2.58 0.00 7.02 0.15 -1.26 -5.08 113.70 119.03 2hfv s SER 12 Ca 0.41 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2hfv s SER 12 Cb -0.11 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2hfv s SER 12 CO 0.20 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2hfv n GLY 13 N 5.27 2.62 0.00 9.45 0.00 -1.26 -5.05 105.19 116.23 2hfv n GLY 13 Ca -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 1.03 2.35 -2.51 1.61 1.85 -1.26 -4.99 116.66 114.74 2hfv n ARG 14 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 2hfv n ARG 14 Cb 0.00 -0.20 -0.01 0.00 -1.05 0.00 0.00 32.46 31.20 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 0.00 3.73 -0.25 2.89 2.12 -1.26 -4.51 118.70 121.43 2hfv s GLU 15 Ca 0.00 -1.77 0.13 0.00 0.36 0.00 0.00 54.97 53.70 2hfv s GLU 15 Cb 0.00 -5.47 0.47 0.00 0.26 0.00 0.00 34.13 29.38 2hfv s GLU 15 CO 0.00 -2.49 1.17 -1.71 -0.54 0.00 0.00 175.26 171.69 2hfv n ASN 16 N 9.30 3.30 -4.55 -1.70 2.85 -1.26 -5.03 115.26 118.15 2hfv n ASN 16 Ca 0.46 -3.18 -0.40 0.00 -0.11 0.00 0.00 54.58 51.35 2hfv n ASN 16 Cb 0.47 -0.40 -0.03 0.00 1.24 0.00 0.00 39.78 41.05 2hfv n ASN 16 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2hfv s LEU 17 N -3.35 3.22 0.00 1.20 1.98 -1.26 -4.66 118.68 115.82 2hfv s LEU 17 Ca 0.42 -0.45 0.00 0.00 -2.89 0.00 0.00 54.13 51.20 2hfv s LEU 17 Cb 0.38 -2.56 0.00 0.00 0.66 0.00 0.00 46.19 44.67 2hfv s LEU 17 CO -0.01 -1.92 0.00 -1.22 -1.89 0.00 0.00 176.35 171.31 2hfv n TYR 18 N 10.02 0.00 -0.10 5.38 4.01 -1.26 -5.01 117.16 130.20 2hfv n TYR 18 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2hfv n TYR 18 Cb 0.50 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 2hfv n TYR 18 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2hfv n PHE 19 N -1.86 0.00 -1.68 -0.72 7.35 -1.26 -4.92 117.46 114.37 2hfv n PHE 19 Ca 0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 2hfv n PHE 19 Cb 0.00 -0.52 -0.04 0.00 0.35 0.00 0.00 39.48 39.27 2hfv n PHE 19 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2hfv n GLN 20 N -2.00 2.58 0.00 -4.13 6.02 -1.26 -4.85 117.38 113.74 2hfv n GLN 20 Ca 0.00 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 2hfv n GLN 20 Cb 0.00 -2.81 0.00 0.00 1.02 0.00 0.00 30.24 28.45 2hfv n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hfv n GLY 21 N 4.20 2.76 0.34 1.08 0.00 -1.26 -2.99 105.19 109.31 2hfv n GLY 21 Ca 0.19 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.22 2hfv n GLY 21 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2hfv n HIS 22 N 0.00 0.18 0.00 1.61 1.44 -1.26 -4.56 115.22 112.63 2hfv n HIS 22 Ca 0.00 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2hfv n HIS 22 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2hfv n HIS 22 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2hfv n LEU 23 N -0.05 -0.85 -4.50 2.39 4.32 -1.26 -5.04 117.00 112.01 2hfv n LEU 23 Ca 0.12 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.84 2hfv n LEU 23 Cb 0.20 0.78 -0.10 0.00 -1.62 0.00 0.00 43.42 42.68 2hfv n LEU 23 CO 0.09 0.00 -0.46 -0.13 -1.22 0.00 0.00 177.39 175.67 2hfv s ARG 24 N -5.65 1.81 -0.21 3.23 1.81 -1.23 -5.00 118.95 113.72 2hfv s ARG 24 Ca 0.00 -1.43 -0.25 0.00 -1.72 0.00 0.00 55.73 52.33 2hfv s ARG 24 Cb 0.00 -1.99 -0.01 0.00 -0.45 0.00 0.00 34.95 32.50 2hfv s ARG 24 CO 0.00 0.41 0.81 -2.00 -0.68 0.00 0.00 175.30 173.84 2hfv s GLU 25 N -2.89 4.23 -0.05 3.54 2.12 -1.26 -3.50 118.70 120.90 2hfv s GLU 25 Ca 0.24 0.95 -0.02 0.00 0.36 0.00 0.00 54.97 56.49 2hfv s GLU 25 Cb -0.08 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 2hfv s GLU 25 CO 0.13 -0.41 -0.05 -0.07 -0.54 0.00 0.00 175.26 174.33 2hfv h LEU 26 N 8.72 0.00 -8.09 2.70 4.07 -1.29 -3.45 115.31 117.98 2hfv h LEU 26 Ca -0.26 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.58 2hfv h LEU 26 Cb 1.11 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.71 2hfv h LEU 26 CO 0.85 0.24 -0.54 -1.48 -1.08 0.00 0.00 178.44 176.43 2hfv s LEU 27 N -5.74 1.94 -0.07 1.67 0.05 -1.20 -1.72 118.68 113.60 2hfv s LEU 27 Ca -0.04 -0.88 -0.03 0.00 0.05 0.00 0.00 54.13 53.23 2hfv s LEU 27 Cb 0.01 0.58 0.04 0.00 -2.05 0.00 0.00 46.19 44.76 2hfv s LEU 27 CO 0.06 -0.68 0.17 0.00 -0.55 0.00 0.00 176.35 175.34 2hfv s ARG 28 N -3.91 0.11 0.16 1.48 1.70 -1.25 -0.96 118.95 116.28 2hfv s ARG 28 Ca 0.08 0.42 -0.13 0.00 -0.47 0.00 0.00 55.73 55.63 2hfv s ARG 28 Cb 0.07 -0.18 0.01 0.00 -0.57 0.00 0.00 34.95 34.28 2hfv s ARG 28 CO -0.09 -0.18 0.38 -0.08 -1.08 0.00 0.00 175.30 174.26 2hfv s THR 29 N 1.29 0.06 -1.37 4.99 -1.32 -0.82 -4.94 115.64 113.53 2hfv s THR 29 Ca -0.08 -1.00 0.11 0.00 -1.21 0.00 0.00 61.69 59.51 2hfv s THR 29 Cb -0.11 -1.56 0.10 0.00 -1.51 0.00 0.00 72.50 69.41 2hfv s THR 29 CO -0.06 -0.28 0.88 -0.46 -2.21 0.00 0.00 174.62 172.48 2hfv n ASN 30 N -0.24 1.99 -4.65 8.08 6.94 -1.26 -0.67 115.26 125.44 2hfv n ASN 30 Ca -0.11 -1.50 -0.39 0.00 -0.02 0.00 0.00 54.58 52.57 2hfv n ASN 30 Cb 0.63 -0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.96 2hfv n ASN 30 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2hfv s ASP 31 N -0.94 6.40 0.35 0.53 2.15 -1.26 -4.96 116.67 118.94 2hfv s ASP 31 Ca 0.14 0.47 0.16 0.00 0.43 0.00 0.00 52.55 53.74 2hfv s ASP 31 Cb 0.09 -2.23 0.62 0.00 -0.30 0.00 0.00 42.92 41.10 2hfv s ASP 31 CO 0.14 -0.12 1.72 0.00 -0.17 0.00 0.00 175.17 176.74 2hfv h ALA 32 N 7.61 1.05 0.04 3.66 0.00 -1.98 -2.00 119.26 127.66 2hfv h ALA 32 Ca -0.34 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 2hfv h ALA 32 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2hfv h ALA 32 CO 0.70 0.55 -0.02 0.28 0.00 0.00 0.00 179.25 180.76 2hfv h VAL 33 N 0.00 1.15 -0.84 0.00 2.07 -1.99 0.87 116.25 117.50 2hfv h VAL 33 Ca -0.00 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2hfv h VAL 33 Cb 0.90 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 2hfv h VAL 33 CO 0.06 0.15 0.40 0.25 0.02 0.00 0.00 177.57 178.45 2hfv h LEU 34 N -0.32 1.10 -1.67 2.57 5.85 -1.98 -0.67 115.31 120.20 2hfv h LEU 34 Ca -0.01 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2hfv h LEU 34 Cb 0.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2hfv h LEU 34 CO 0.01 0.93 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.93 2hfv h LEU 35 N 1.20 0.14 -0.01 2.25 3.38 -1.16 -0.07 115.31 121.04 2hfv h LEU 35 Ca 0.29 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 2hfv h LEU 35 Cb 0.12 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2hfv h LEU 35 CO -0.04 0.21 -0.52 0.28 0.09 0.00 0.00 178.44 178.46 2hfv h SER 36 N 0.16 0.48 0.05 -0.43 0.02 -0.08 0.75 113.55 114.49 2hfv h SER 36 Ca 0.04 -0.75 -0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2hfv h SER 36 Cb 0.18 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2hfv h SER 36 CO 0.01 1.17 -0.03 0.00 -1.14 0.00 0.00 176.83 176.84 2hfv h ALA 37 N 0.32 -0.07 -0.31 3.77 0.00 -0.73 0.18 119.26 122.43 2hfv h ALA 37 Ca -0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2hfv h ALA 37 Cb 1.24 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2hfv h ALA 37 CO 0.10 -0.54 -0.32 0.28 0.00 0.00 0.00 179.25 178.78 2hfv h VAL 38 N -0.07 1.29 -0.10 0.00 2.07 -1.13 -3.19 116.25 115.12 2hfv h VAL 38 Ca -0.01 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.03 2hfv h VAL 38 Cb 0.05 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2hfv h VAL 38 CO 0.01 0.48 0.05 1.23 0.02 0.00 0.00 177.57 179.36 2hfv h GLY 39 N 0.53 0.14 2.00 2.17 0.00 -0.64 -2.47 103.07 104.79 2hfv h GLY 39 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2hfv h GLY 39 CO 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 176.54 176.61 2hfv h ALA 40 N 1.05 1.57 0.12 3.60 0.00 -0.70 0.36 119.26 125.25 2hfv h ALA 40 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2hfv h ALA 40 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hfv h ALA 40 CO -0.03 0.06 -0.06 -0.07 0.00 0.00 0.00 179.25 179.16 2hfv h LEU 41 N 0.00 -0.13 -0.11 0.00 3.38 -1.43 -0.92 115.31 116.10 2hfv h LEU 41 Ca -0.00 -0.38 -0.24 0.00 0.09 0.00 0.00 57.88 57.35 2hfv h LEU 41 Cb 0.11 0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.90 2hfv h LEU 41 CO 0.01 0.35 -0.89 -0.07 0.09 0.00 0.00 178.44 177.92 2hfv h LEU 42 N -0.65 0.90 -0.35 1.67 3.38 -1.25 -2.80 115.31 116.21 2hfv h LEU 42 Ca -0.02 -0.65 -0.11 0.00 0.09 0.00 0.00 57.88 57.20 2hfv h LEU 42 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2hfv h LEU 42 CO 0.03 1.45 -0.20 -0.78 0.09 0.00 0.00 178.44 179.02 2hfv h ASP 43 N 0.47 0.78 0.64 -0.43 3.58 -0.39 -1.22 116.42 119.85 2hfv h ASP 43 Ca -0.08 -0.42 -0.12 0.00 0.42 0.00 0.00 57.03 56.83 2hfv h ASP 43 Cb 1.53 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 2hfv h ASP 43 CO 0.18 1.03 -0.56 1.23 -2.88 0.00 0.00 179.24 178.24 2hfv h GLY 44 N 0.54 0.00 0.25 -0.78 0.00 -1.23 -2.56 103.07 99.29 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 -0.02 0.00 0.00 0.00 0.00 176.54 176.58 2hfv n ALA 45 N -2.40 2.65 -1.51 3.60 0.00 -1.06 -4.90 120.51 116.90 2hfv n ALA 45 Ca -0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 2hfv n ALA 45 Cb 0.58 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.41 -4.62 -4.77 0.00 2.03 -0.97 -4.98 116.55 102.83 2hfv n ASP 46 Ca 0.20 0.30 -0.38 0.00 0.52 0.00 0.00 54.79 55.42 2hfv n ASP 46 Cb 0.26 -3.39 -0.05 0.00 -0.72 0.00 0.00 41.12 37.22 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 -2.54 3.71 -0.16 5.18 1.01 -0.49 -4.94 121.20 122.98 2hfv s ILE 47 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 2hfv s ILE 47 Cb 0.00 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 2hfv s ILE 47 CO 0.00 0.21 2.13 0.61 0.00 0.00 0.00 174.94 177.89 2hfv n GLY 48 N 0.82 1.22 2.82 6.18 0.00 -1.26 -4.60 105.19 110.36 2hfv n GLY 48 Ca 0.02 0.82 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 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 6.89 2.32 -1.02 1.61 -3.43 -1.26 -4.24 115.29 116.17 2hfv s HIS 49 Ca 0.98 -2.15 -0.21 0.00 -0.80 0.00 0.00 55.06 52.88 2hfv s HIS 49 Cb -0.45 -2.08 0.08 0.00 -1.43 0.00 0.00 32.58 28.70 2hfv s HIS 49 CO 0.40 -0.89 1.37 -1.17 -2.00 0.00 0.00 174.74 172.45 2hfv s LEU 50 N 1.32 4.05 -0.31 5.38 2.96 0.71 -4.94 118.68 127.85 2hfv s LEU 50 Ca 0.11 -1.75 -0.08 0.00 -0.22 0.00 0.00 54.13 52.19 2hfv s LEU 50 Cb -0.18 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.00 2hfv s LEU 50 CO -0.19 -1.33 0.11 0.68 -1.32 0.00 0.00 176.35 174.31 2hfv s VAL 51 N 4.12 4.13 -0.03 1.68 -7.23 -1.26 -1.06 120.40 120.75 2hfv s VAL 51 Ca 0.42 -0.69 0.03 0.00 -1.81 0.00 0.00 61.98 59.93 2hfv s VAL 51 Cb -0.01 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2hfv s VAL 51 CO -0.08 0.03 -0.11 -1.48 -0.31 0.00 0.00 175.10 173.15 2hfv s LEU 52 N 1.52 1.79 0.50 1.32 0.05 -0.82 -4.96 118.68 118.08 2hfv s LEU 52 Ca 0.03 -0.23 0.07 0.00 0.05 0.00 0.00 54.13 54.05 2hfv s LEU 52 Cb -0.18 -0.65 0.02 0.00 -2.05 0.00 0.00 46.19 43.34 2hfv s LEU 52 CO 0.04 0.08 0.44 1.51 -0.55 0.00 0.00 176.35 177.87 2hfv s ASP 53 N 0.21 4.83 -0.70 1.48 1.47 -1.26 -0.09 116.67 122.60 2hfv s ASP 53 Ca -0.04 -1.02 -0.01 0.00 1.18 0.00 0.00 52.55 52.66 2hfv s ASP 53 Cb -0.10 0.04 0.18 0.00 -0.34 0.00 0.00 42.92 42.70 2hfv s ASP 53 CO 0.01 -0.97 0.53 -1.58 0.68 0.00 0.00 175.17 173.84 2hfv s GLN 54 N -4.27 2.71 -0.52 2.11 0.74 -1.26 -4.95 119.66 114.23 2hfv s GLN 54 Ca 0.43 -2.85 -0.05 0.00 0.05 0.00 0.00 55.36 52.94 2hfv s GLN 54 Cb -0.03 -3.73 0.13 0.00 1.10 0.00 0.00 33.01 30.49 2hfv s GLN 54 CO 0.26 -1.21 0.35 1.21 -0.55 0.00 0.00 175.29 175.35 2hfv s ASN 55 N 0.12 5.46 -0.65 6.67 2.47 -1.26 -4.60 114.94 123.15 2hfv s ASN 55 Ca 0.21 -2.29 0.05 0.00 0.42 0.00 0.00 52.86 51.25 2hfv s ASN 55 Cb -0.15 -1.91 0.19 0.00 -1.45 0.00 0.00 41.25 37.93 2hfv s ASN 55 CO -0.07 -0.53 0.55 0.80 -3.72 0.00 0.00 177.10 174.12 2hfv n MET 56 N 4.30 1.82 -2.36 0.43 0.00 -1.26 -4.98 117.12 115.07 2hfv n MET 56 Ca 0.00 -4.37 -0.03 0.00 -0.00 0.00 0.00 57.70 53.30 2hfv n MET 56 Cb 0.40 -2.18 -0.03 0.00 0.00 0.00 0.00 33.22 31.41 2hfv n MET 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2hfv n SER 57 N 1.74 -3.74 -4.71 6.12 2.88 -1.26 -4.89 113.62 109.76 2hfv n SER 57 Ca 0.23 1.38 -0.42 0.00 -1.33 0.00 0.00 58.87 58.73 2hfv n SER 57 Cb 0.38 -4.77 -0.03 0.00 -0.75 0.00 0.00 64.21 59.04 2hfv n SER 57 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2hfv s ILE 58 N -0.57 3.37 -0.27 2.46 2.07 -1.26 -5.00 121.20 122.00 2hfv s ILE 58 Ca -0.16 0.93 0.03 0.00 -1.41 0.00 0.00 60.65 60.04 2hfv s ILE 58 Cb 0.01 -3.60 0.07 0.00 0.13 0.00 0.00 42.46 39.08 2hfv s ILE 58 CO 0.43 0.05 -0.05 -0.22 -1.91 0.00 0.00 174.94 173.23 2hfv s LEU 59 N 1.55 3.49 0.00 8.50 0.20 -1.26 -5.07 118.68 126.09 2hfv s LEU 59 Ca 0.65 -1.53 0.00 0.00 0.69 0.00 0.00 54.13 53.95 2hfv s LEU 59 Cb -0.36 -1.45 0.00 0.00 -0.43 0.00 0.00 46.19 43.95 2hfv s LEU 59 CO 0.29 -0.25 0.00 -1.84 -0.29 0.00 0.00 176.35 174.26 2hfv n GLU 60 N 4.46 0.00 -1.43 1.98 0.28 -1.26 -3.21 120.64 121.47 2hfv n GLU 60 Ca -0.09 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.50 2hfv n GLU 60 Cb 0.42 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.25 2hfv n GLU 60 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hfv n GLY 61 N 0.00 2.60 2.88 -1.84 0.00 -1.26 -4.80 105.19 102.76 2hfv n GLY 61 Ca 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 2hfv n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hfv s SER 62 N 4.94 0.29 -0.22 1.61 0.15 -1.20 -5.03 113.70 114.24 2hfv s SER 62 Ca 0.57 0.31 0.11 0.00 0.70 0.00 0.00 55.95 57.64 2hfv s SER 62 Cb 0.12 0.22 -0.21 0.00 -1.71 0.00 0.00 66.02 64.43 2hfv s SER 62 CO 0.09 -0.19 -0.07 0.18 1.20 0.00 0.00 173.24 174.45 2hfv n LEU 63 N 4.72 1.36 0.00 3.45 4.32 -1.26 -4.47 117.00 125.12 2hfv n LEU 63 Ca -0.17 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 2hfv n LEU 63 Cb 0.51 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 2hfv n LEU 63 CO 0.12 0.69 0.00 0.61 -1.22 0.00 0.00 177.39 177.59 2hfv n GLY 64 N 2.00 1.85 2.86 -0.72 0.00 -1.26 -4.64 105.19 105.27 2hfv n GLY 64 Ca -0.38 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.51 -0.77 1.61 1.01 -1.26 -5.09 120.40 116.42 2hfv s VAL 65 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 2hfv s VAL 65 Cb 0.00 -0.58 0.19 0.00 0.00 0.00 0.00 36.38 36.00 2hfv s VAL 65 CO 0.00 0.24 0.62 -0.63 0.00 0.00 0.00 175.10 175.33 2hfv s ILE 66 N 1.26 4.16 -0.48 2.22 1.09 -1.26 -4.83 121.20 123.35 2hfv s ILE 66 Ca -0.06 -3.35 -0.17 0.00 -1.10 0.00 0.00 60.65 55.97 2hfv s ILE 66 Cb -0.14 -3.63 0.06 0.00 -1.06 0.00 0.00 42.46 37.69 2hfv s ILE 66 CO -0.02 -0.99 0.48 -2.16 -0.10 0.00 0.00 174.94 172.15 2hfv s PRO 67 N -0.66 3.04 0.12 2.79 0.04 -1.26 -4.23 135.00 134.84 2hfv s PRO 67 Ca 0.22 -1.11 -0.30 0.00 0.04 0.00 0.00 61.00 59.85 2hfv s PRO 67 Cb -0.13 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.24 2hfv s PRO 67 CO -0.08 -1.07 1.18 0.50 0.04 0.00 0.00 177.00 177.57 2hfv s ARG 68 N 2.05 4.48 -0.10 4.56 3.52 0.15 -4.38 118.95 129.24 2hfv s ARG 68 Ca 0.09 1.79 0.01 0.00 -0.13 0.00 0.00 55.73 57.49 2hfv s ARG 68 Cb -0.21 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2hfv s ARG 68 CO 0.09 -0.14 -0.12 1.03 -0.81 0.00 0.00 175.30 175.36 2hfv s ARG 69 N 0.39 3.06 -0.23 5.12 0.52 0.88 -1.95 118.95 126.73 2hfv s ARG 69 Ca 0.55 -0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 55.08 2hfv s ARG 69 Cb -0.30 -2.58 0.00 0.00 0.52 0.00 0.00 34.95 32.59 2hfv s ARG 69 CO 0.32 0.41 -0.05 0.08 0.02 0.00 0.00 175.30 176.09 2hfv s VAL 70 N -0.15 3.23 0.02 3.52 1.01 -0.14 -1.95 120.40 125.95 2hfv s VAL 70 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2hfv s VAL 70 Cb -0.13 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2hfv s VAL 70 CO 0.03 0.36 -0.23 -0.76 0.00 0.00 0.00 175.10 174.50 2hfv s LEU 71 N 1.44 2.12 0.27 3.92 1.02 -0.22 -0.80 118.68 126.43 2hfv s LEU 71 Ca 0.04 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.71 2hfv s LEU 71 Cb -0.15 -1.12 -0.05 0.00 0.02 0.00 0.00 46.19 44.89 2hfv s LEU 71 CO -0.04 0.23 0.09 0.68 0.02 0.00 0.00 176.35 177.33 2hfv s VAL 72 N -0.71 0.65 0.33 -1.59 -7.23 -1.23 -0.21 120.40 110.42 2hfv s VAL 72 Ca 0.09 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.99 2hfv s VAL 72 Cb -0.09 -2.65 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 2hfv s VAL 72 CO 0.01 -0.01 1.10 -2.28 -0.31 0.00 0.00 175.10 173.61 2hfv s HIS 73 N -3.69 3.42 -1.15 2.82 2.46 -1.26 -3.47 115.29 114.42 2hfv s HIS 73 Ca 0.38 1.66 0.20 0.00 0.47 0.00 0.00 55.06 57.77 2hfv s HIS 73 Cb 0.08 -3.26 0.91 0.00 -0.13 0.00 0.00 32.58 30.18 2hfv s HIS 73 CO 0.14 -0.68 1.64 0.39 -2.47 0.00 0.00 174.74 173.76 2hfv n GLU 74 N 0.69 0.10 0.10 2.88 1.02 -1.26 -1.24 120.64 122.93 2hfv n GLU 74 Ca 0.01 0.14 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 2hfv n GLU 74 Cb 0.46 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.37 2hfv n GLU 74 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2hfv h ASP 75 N 0.00 0.00 -0.61 1.62 3.04 -1.86 -3.18 116.42 115.42 2hfv h ASP 75 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2hfv h ASP 75 Cb 0.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 2hfv h ASP 75 CO 0.00 0.37 0.00 0.47 -2.04 0.00 0.00 179.24 178.04 2hfv n ASP 76 N -2.96 3.75 0.28 4.15 8.00 -0.51 -4.58 116.55 124.68 2hfv n ASP 76 Ca -0.03 -1.99 -0.16 0.00 0.71 0.00 0.00 54.79 53.32 2hfv n ASP 76 Cb 0.71 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 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 4.16 -0.67 -1.37 0.64 7.12 -1.15 0.84 115.31 124.88 2hfv h LEU 77 Ca 0.00 0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.11 2hfv h LEU 77 Cb 0.97 0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 41.24 2hfv h LEU 77 CO 0.00 -0.44 0.48 0.00 -0.13 0.00 0.00 178.44 178.35 2hfv h ALA 78 N -0.21 1.71 -0.07 1.25 0.00 -1.81 0.90 119.26 121.03 2hfv h ALA 78 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2hfv h ALA 78 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2hfv h ALA 78 CO 0.07 0.17 0.03 0.78 0.00 0.00 0.00 179.25 180.30 2hfv h GLY 79 N 0.75 0.11 0.98 0.00 0.00 -1.67 0.64 103.07 103.88 2hfv h GLY 79 Ca 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 2hfv h GLY 79 CO -0.11 0.06 0.09 0.00 0.00 0.00 0.00 176.54 176.58 2hfv h ALA 80 N 0.86 0.64 -0.33 3.60 0.00 -0.32 -0.61 119.26 123.11 2hfv h ALA 80 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2hfv h ALA 80 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2hfv h ALA 80 CO -0.00 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.78 2hfv h ARG 81 N 0.68 0.34 -0.32 0.00 3.08 -0.75 0.15 114.38 117.55 2hfv h ARG 81 Ca 0.15 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.20 2hfv h ARG 81 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2hfv h ARG 81 CO 0.01 0.23 0.17 -0.09 -1.07 0.00 0.00 179.97 179.21 2hfv h ARG 82 N 0.35 0.34 -0.04 0.04 9.65 -0.69 0.24 114.38 124.28 2hfv h ARG 82 Ca 0.13 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2hfv h ARG 82 Cb 0.04 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2hfv h ARG 82 CO -0.09 0.23 0.02 1.25 2.80 0.00 0.00 179.97 184.18 2hfv h LEU 83 N 0.35 0.04 -0.96 3.80 5.85 -0.67 0.26 115.31 123.99 2hfv h LEU 83 Ca 0.13 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2hfv h LEU 83 Cb 0.03 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2hfv h LEU 83 CO -0.08 0.08 0.01 -0.07 -0.34 0.00 0.00 178.44 178.04 2hfv h LEU 84 N 0.01 0.74 -0.26 2.25 3.38 -0.56 -0.04 115.31 120.82 2hfv h LEU 84 Ca 0.01 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 2hfv h LEU 84 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2hfv h LEU 84 CO -0.00 0.79 -0.43 0.74 0.09 0.00 0.00 178.44 179.64 2hfv h THR 85 N 0.72 1.30 -0.28 0.22 2.02 -0.69 0.26 112.91 116.45 2hfv h THR 85 Ca 0.14 -1.62 -0.08 0.00 0.77 0.00 0.00 66.41 65.62 2hfv h THR 85 Cb 0.42 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 2hfv h THR 85 CO 0.02 0.52 -0.15 -0.78 0.37 0.00 0.00 175.52 175.49 2hfv h ASP 86 N 0.48 0.48 0.43 4.18 3.58 -0.21 -2.45 116.42 122.92 2hfv h ASP 86 Ca 0.02 -0.13 -0.21 0.00 0.42 0.00 0.00 57.03 57.13 2hfv h ASP 86 Cb 1.02 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 2hfv h ASP 86 CO 0.10 0.66 -0.88 0.00 -2.88 0.00 0.00 179.24 176.24 2hfv h ALA 87 N 1.39 0.48 0.00 -0.78 0.00 -0.97 -3.48 119.26 115.90 2hfv h ALA 87 Ca 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2hfv h ALA 87 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hfv h ALA 87 CO 0.03 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.54 2hfv n GLY 88 N 0.84 1.79 0.24 0.00 0.00 -0.22 -4.99 105.19 102.85 2hfv n GLY 88 Ca -0.05 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.37 -4.56 0.99 4.77 0.73 -4.89 117.00 115.42 2hfv n LEU 89 Ca 0.00 -0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 54.71 2hfv n LEU 89 Cb 0.02 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 2hfv n LEU 89 CO 0.00 0.28 1.40 0.00 -1.33 0.00 0.00 177.39 177.74 2hfv s ALA 90 N -0.81 2.29 0.00 -1.18 0.00 -0.90 -4.15 121.76 117.01 2hfv s ALA 90 Ca 0.08 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.46 2hfv s ALA 90 Cb 0.06 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2hfv s ALA 90 CO 0.13 -3.98 0.00 1.58 0.00 0.00 0.00 175.76 173.48 2hfv n HIS 91 N 11.25 -0.89 1.44 0.00 -0.00 -1.26 -4.89 115.22 120.86 2hfv n HIS 91 Ca 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 58.02 2hfv n HIS 91 Cb 0.50 0.24 0.07 0.00 -0.00 0.00 0.00 29.99 30.79 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 -1.97 1.40 -2.44 1.57 -0.58 -1.26 -4.76 120.64 112.60 2hfv n GLU 92 Ca 0.00 -0.58 -0.41 0.00 -0.42 0.00 0.00 57.16 55.75 2hfv n GLU 92 Cb 0.00 -1.16 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 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 -0.98 3.23 -0.45 -4.62 1.02 -1.26 -3.74 118.68 111.89 2hfv s LEU 93 Ca 0.11 -0.18 -0.16 0.00 0.02 0.00 0.00 54.13 53.91 2hfv s LEU 93 Cb 0.06 -2.66 0.05 0.00 0.02 0.00 0.00 46.19 43.66 2hfv s LEU 93 CO 0.07 -1.89 0.41 -0.60 0.02 0.00 0.00 176.35 174.36 2hfv s ARG 94 N 5.88 3.02 0.40 1.70 6.06 -0.70 -4.96 118.95 130.34 2hfv s ARG 94 Ca 0.43 -1.10 0.06 0.00 -2.50 0.00 0.00 55.73 52.62 2hfv s ARG 94 Cb -0.09 -4.06 -0.08 0.00 0.06 0.00 0.00 34.95 30.78 2hfv s ARG 94 CO 0.18 -0.96 0.02 -1.54 -2.50 0.00 0.00 175.30 170.50 2hfv s SER 95 N 2.25 3.63 -0.58 -2.12 1.04 -1.26 -4.83 113.70 111.83 2hfv s SER 95 Ca 0.07 -1.38 -0.22 0.00 0.48 0.00 0.00 55.95 54.91 2hfv s SER 95 Cb -0.21 -0.33 0.06 0.00 0.10 0.00 0.00 66.02 65.65 2hfv s SER 95 CO 0.09 -0.49 0.85 -0.62 0.98 0.00 0.00 173.24 174.06 2hfv s ASP 96 N -3.68 6.24 0.00 7.02 -1.08 -1.26 -5.24 116.67 118.67 2hfv s ASP 96 Ca 0.35 -0.83 0.25 0.00 -0.52 0.00 0.00 52.55 51.79 2hfv s ASP 96 Cb 0.10 -2.38 0.31 0.00 -1.46 0.00 0.00 42.92 39.48 2hfv s ASP 96 CO 0.17 -1.21 1.33 -0.67 0.52 0.00 0.00 175.17 175.31