#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfn s SER 5 N 0.00 6.99 0.15 3.17 0.15 -1.26 -4.57 113.70 118.32 2hfn s SER 5 Ca 0.00 2.44 -0.31 0.00 0.70 0.00 0.00 55.95 58.78 2hfn s SER 5 Cb 0.00 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.60 2hfn s SER 5 CO 0.00 -0.36 1.34 -0.22 1.20 0.00 0.00 173.24 175.21 2hfn s LEU 6 N -1.71 4.39 0.07 3.45 2.96 -1.26 -0.35 118.68 126.22 2hfn s LEU 6 Ca 0.48 2.34 0.03 0.00 -0.22 0.00 0.00 54.13 56.75 2hfn s LEU 6 Cb -0.35 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.72 2hfn s LEU 6 CO 0.45 -0.59 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.50 2hfn s TYR 7 N 0.70 0.87 0.01 5.38 1.51 0.30 -1.35 117.35 124.78 2hfn s TYR 7 Ca 0.61 -0.63 0.08 0.00 -1.01 0.00 0.00 57.07 56.12 2hfn s TYR 7 Cb -0.36 -0.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 2hfn s TYR 7 CO 0.33 -0.06 -0.24 0.50 -1.11 0.00 0.00 175.55 174.97 2hfn s ARG 8 N -2.43 1.78 -0.05 -0.62 3.52 -0.27 -1.66 118.95 119.21 2hfn s ARG 8 Ca -0.00 -0.94 0.02 0.00 -0.13 0.00 0.00 55.73 54.68 2hfn s ARG 8 Cb -0.05 -1.83 0.01 0.00 -1.56 0.00 0.00 34.95 31.53 2hfn s ARG 8 CO -0.01 0.49 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.70 2hfn s LEU 9 N -0.88 1.63 -0.09 -0.88 0.20 0.38 -1.83 118.68 117.21 2hfn s LEU 9 Ca 0.10 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.72 2hfn s LEU 9 Cb -0.09 -0.68 -0.00 0.00 -0.43 0.00 0.00 46.19 44.98 2hfn s LEU 9 CO 0.01 0.03 -0.23 -0.63 -0.29 0.00 0.00 176.35 175.23 2hfn s ILE 10 N 0.55 1.98 0.07 6.68 1.01 -0.14 -0.82 121.20 130.53 2hfn s ILE 10 Ca -0.10 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 2hfn s ILE 10 Cb -0.13 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2hfn s ILE 10 CO 0.02 0.55 -0.00 -0.72 0.00 0.00 0.00 174.94 174.78 2hfn s TYR 11 N 0.23 0.61 0.21 3.97 1.13 -0.64 -0.20 117.35 122.68 2hfn s TYR 11 Ca -0.15 -1.11 0.08 0.00 -1.41 0.00 0.00 57.07 54.48 2hfn s TYR 11 Cb -0.17 -0.41 -0.05 0.00 -1.10 0.00 0.00 41.96 40.23 2hfn s TYR 11 CO 0.07 -0.42 -0.14 -1.54 -2.51 0.00 0.00 175.55 171.01 2hfn s SER 12 N -2.96 2.62 0.29 -0.18 1.04 -0.42 -1.12 113.70 112.98 2hfn s SER 12 Ca 0.12 -1.03 -0.14 0.00 0.48 0.00 0.00 55.95 55.38 2hfn s SER 12 Cb 0.08 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.07 2hfn s SER 12 CO -0.07 -0.17 0.59 -0.94 0.98 0.00 0.00 173.24 173.64 2hfn s SER 13 N -3.33 0.02 -0.29 7.02 1.04 -0.86 0.15 113.70 117.46 2hfn s SER 13 Ca 0.23 -0.96 -0.07 0.00 0.48 0.00 0.00 55.95 55.62 2hfn s SER 13 Cb -0.01 0.68 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 2hfn s SER 13 CO 0.07 -1.31 0.09 -1.10 0.98 0.00 0.00 173.24 171.97 2hfn s GLN 14 N -3.56 3.26 0.50 4.02 -1.52 -0.59 -1.28 119.66 120.48 2hfn s GLN 14 Ca 0.19 -0.75 -0.24 0.00 -1.95 0.00 0.00 55.36 52.62 2hfn s GLN 14 Cb -0.03 -3.40 -0.07 0.00 -0.22 0.00 0.00 33.01 29.30 2hfn s GLN 14 CO 0.10 -0.38 1.40 0.20 -0.25 0.00 0.00 175.29 176.36 2hfn s GLY 15 N 1.55 2.91 0.63 3.09 0.00 0.95 -0.63 107.32 115.81 2hfn s GLY 15 Ca 0.04 1.41 -0.18 0.00 0.00 0.00 0.00 44.72 45.98 2hfn s GLY 15 CO 0.03 1.98 1.26 0.29 0.00 0.00 0.00 173.10 176.66 2hfn n ILE 16 N -0.60 4.68 -0.33 0.90 -5.35 -0.57 -4.85 119.36 113.25 2hfn n ILE 16 Ca 0.08 -0.50 0.15 0.00 -0.27 0.00 0.00 62.75 62.21 2hfn n ILE 16 Cb 0.43 -1.47 0.35 0.00 -1.74 0.00 0.00 39.64 37.21 2hfn n ILE 16 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 2hfn h PRO 17 N 0.63 0.52 -0.69 6.28 0.11 -1.93 -2.85 132.00 134.07 2hfn h PRO 17 Ca -0.51 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.21 2hfn h PRO 17 Cb 1.34 -0.12 -0.21 0.00 0.11 0.00 0.00 31.00 32.12 2hfn h PRO 17 CO 0.53 0.34 0.30 0.09 -0.21 0.00 0.00 178.00 179.05 2hfn n ASN 18 N -4.93 3.13 -4.72 -2.05 5.03 -1.26 -5.00 115.26 105.45 2hfn n ASN 18 Ca 0.25 -3.70 -0.42 0.00 0.87 0.00 0.00 54.58 51.57 2hfn n ASN 18 Cb 0.69 -0.74 -0.03 0.00 -1.02 0.00 0.00 39.78 38.68 2hfn n ASN 18 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2hfn s LEU 19 N -3.28 4.37 0.27 3.41 2.96 -1.08 -5.00 118.68 120.33 2hfn s LEU 19 Ca 0.51 2.85 0.06 0.00 -0.22 0.00 0.00 54.13 57.33 2hfn s LEU 19 Cb 0.45 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.51 2hfn s LEU 19 CO 0.05 -0.96 0.30 -1.10 -1.32 0.00 0.00 176.35 173.32 2hfn s GLN 20 N 1.20 3.10 0.28 1.98 -1.52 -1.26 -5.01 119.66 118.44 2hfn s GLN 20 Ca 0.74 -0.98 0.02 0.00 -1.95 0.00 0.00 55.36 53.19 2hfn s GLN 20 Cb -0.49 -2.70 0.58 0.00 -0.22 0.00 0.00 33.01 30.18 2hfn s GLN 20 CO 0.32 0.33 1.81 -1.35 -0.25 0.00 0.00 175.29 176.15 2hfn h PRO 21 N 1.27 0.84 -0.66 2.91 0.11 -2.00 -1.12 132.00 133.35 2hfn h PRO 21 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2hfn h PRO 21 Cb 1.24 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2hfn h PRO 21 CO 0.60 0.55 0.42 0.37 -0.21 0.00 0.00 178.00 179.73 2hfn h GLN 22 N 0.86 0.87 -0.46 1.05 5.75 -1.99 0.68 115.11 121.88 2hfn h GLN 22 Ca 0.50 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.90 2hfn h GLN 22 Cb 0.61 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2hfn h GLN 22 CO -0.31 0.59 0.11 -0.44 -2.65 0.00 0.00 178.83 176.13 2hfn h ASP 23 N 0.90 0.70 -0.24 -0.69 3.32 -1.62 -0.34 116.42 118.44 2hfn h ASP 23 Ca 0.24 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hfn h ASP 23 Cb -0.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2hfn h ASP 23 CO -0.05 0.75 0.13 -0.07 -1.72 0.00 0.00 179.24 178.28 2hfn h LEU 24 N 0.61 0.31 -0.63 1.55 4.07 -0.81 -1.32 115.31 119.08 2hfn h LEU 24 Ca 0.14 -0.09 0.11 0.00 0.08 0.00 0.00 57.88 58.13 2hfn h LEU 24 Cb 0.33 -0.08 -0.09 0.00 1.08 0.00 0.00 40.66 41.91 2hfn h LEU 24 CO 0.00 0.30 0.18 0.50 -1.08 0.00 0.00 178.44 178.34 2hfn h LYS 25 N 0.28 0.31 -0.49 1.13 3.64 -0.75 -1.58 116.57 119.11 2hfn h LYS 25 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2hfn h LYS 25 Cb 0.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2hfn h LYS 25 CO -0.01 0.20 0.29 -0.44 -2.27 0.00 0.00 179.45 177.22 2hfn h ASP 26 N 0.32 0.59 -0.40 4.20 3.45 -0.57 0.36 116.42 124.36 2hfn h ASP 26 Ca 0.33 -0.06 0.04 0.00 0.43 0.00 0.00 57.03 57.78 2hfn h ASP 26 Cb 0.48 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.06 2hfn h ASP 26 CO -0.39 0.48 0.16 0.40 -1.57 0.00 0.00 179.24 178.32 2hfn h ILE 27 N 0.65 0.91 -0.05 0.35 2.04 -0.73 -1.82 117.51 118.86 2hfn h ILE 27 Ca 0.17 -0.12 -0.15 0.00 1.00 0.00 0.00 64.86 65.77 2hfn h ILE 27 Cb -0.00 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2hfn h ILE 27 CO -0.03 0.06 -0.64 -0.07 0.00 0.00 0.00 178.15 177.47 2hfn h LEU 28 N 0.34 0.21 -0.46 1.44 -0.00 -0.87 0.05 115.31 116.02 2hfn h LEU 28 Ca 0.18 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2hfn h LEU 28 Cb 0.15 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 2hfn h LEU 28 CO -0.17 0.80 0.21 -0.33 -0.00 0.00 0.00 178.44 178.95 2hfn h GLU 29 N 0.13 0.67 -0.21 1.13 5.08 -0.78 -0.12 114.58 120.49 2hfn h GLU 29 Ca -0.01 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2hfn h GLU 29 Cb 1.16 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2hfn h GLU 29 CO 0.10 0.58 0.14 0.77 -1.00 0.00 0.00 179.01 179.60 2hfn h SER 30 N 0.60 0.24 -0.53 1.42 0.02 -0.93 -1.74 113.55 112.63 2hfn h SER 30 Ca 0.16 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2hfn h SER 30 Cb 0.14 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2hfn h SER 30 CO -0.02 0.18 0.24 0.28 -1.14 0.00 0.00 176.83 176.37 2hfn h SER 31 N 0.28 0.30 -0.18 3.07 0.02 -0.83 -1.32 113.55 114.90 2hfn h SER 31 Ca 0.08 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 2hfn h SER 31 Cb -0.03 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2hfn h SER 31 CO -0.02 0.20 -0.16 -0.61 -1.14 0.00 0.00 176.83 175.11 2hfn h GLN 32 N 0.45 0.58 -0.63 3.45 5.75 -0.85 -0.17 115.11 123.70 2hfn h GLN 32 Ca 0.25 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 2hfn h GLN 32 Cb 0.22 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 2hfn h GLN 32 CO -0.21 0.72 0.14 -0.09 -2.65 0.00 0.00 178.83 176.74 2hfn h ARG 33 N 0.53 1.01 0.02 1.69 2.43 -0.71 -3.39 114.38 115.96 2hfn h ARG 33 Ca 0.09 -0.25 -0.39 0.00 -0.81 0.00 0.00 59.98 58.62 2hfn h ARG 33 Cb 0.58 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 2hfn h ARG 33 CO 0.04 0.92 -2.27 0.09 -1.51 0.00 0.00 179.97 177.25 2hfn n ASN 34 N -4.31 1.98 0.12 -3.80 3.02 -0.55 -4.61 115.26 107.11 2hfn n ASN 34 Ca 0.04 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.60 2hfn n ASN 34 Cb 0.25 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.66 2hfn n ASN 34 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2hfn h ASN 35 N -0.44 -0.24 -0.37 6.41 2.35 -1.21 -2.37 115.58 119.71 2hfn h ASN 35 Ca -0.57 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.26 2hfn h ASN 35 Cb 1.76 0.07 -0.05 0.00 0.05 0.00 0.00 38.32 40.15 2hfn h ASN 35 CO -0.18 -0.16 0.07 -0.65 -1.65 0.00 0.00 177.43 174.86 2hfn h PRO 36 N -0.24 0.18 -0.80 0.81 0.11 -1.75 -0.08 132.00 130.23 2hfn h PRO 36 Ca -0.01 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.14 2hfn h PRO 36 Cb 0.20 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.22 2hfn h PRO 36 CO 0.02 0.12 0.52 0.00 -0.21 0.00 0.00 178.00 178.45 2hfn h ALA 37 N 1.29 1.61 -0.11 -0.75 0.00 -1.80 -1.77 119.26 117.72 2hfn h ALA 37 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2hfn h ALA 37 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2hfn h ALA 37 CO -0.24 0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.37 2hfn n ASN 38 N -4.48 1.02 -1.19 0.00 3.02 -0.74 -4.92 115.26 107.97 2hfn n ASN 38 Ca 0.12 -1.64 -0.12 0.00 -0.03 0.00 0.00 54.58 52.90 2hfn n ASN 38 Cb 0.20 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 2hfn n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hfn n GLY 39 N 0.97 0.40 3.68 7.41 0.00 -0.64 -4.79 105.19 112.22 2hfn n GLY 39 Ca 0.14 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2hfn n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hfn s ILE 40 N -2.53 5.21 0.41 -0.61 -1.09 -0.14 -4.44 121.20 118.01 2hfn s ILE 40 Ca 0.00 0.69 0.07 0.00 -2.23 0.00 0.00 60.65 59.18 2hfn s ILE 40 Cb 0.00 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.11 2hfn s ILE 40 CO 0.00 0.27 0.20 0.42 -1.23 0.00 0.00 174.94 174.60 2hfn s THR 41 N 1.21 2.38 -3.89 2.92 -4.23 -0.46 -4.13 115.64 109.45 2hfn s THR 41 Ca 0.19 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2hfn s THR 41 Cb -0.15 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2hfn s THR 41 CO 0.08 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 2hfn n GLY 42 N -1.27 0.81 3.62 3.99 0.00 -0.59 -0.90 105.19 110.84 2hfn n GLY 42 Ca -0.01 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 2hfn n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hfn s LEU 43 N 0.00 -0.60 -0.12 0.99 2.96 -0.76 -1.21 118.68 119.93 2hfn s LEU 43 Ca 0.00 1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.98 2hfn s LEU 43 Cb 0.00 2.21 -0.02 0.00 0.50 0.00 0.00 46.19 48.88 2hfn s LEU 43 CO 0.00 -0.26 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.46 2hfn s LEU 44 N 0.05 2.92 -0.02 -0.68 2.96 -1.26 -1.52 118.68 121.13 2hfn s LEU 44 Ca -0.00 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 2hfn s LEU 44 Cb -0.04 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 2hfn s LEU 44 CO -0.01 0.20 -0.18 0.00 -1.32 0.00 0.00 176.35 175.05 2hfn s TYR 46 N -0.75 1.87 -0.47 0.00 5.04 0.15 -1.06 117.35 122.14 2hfn s TYR 46 Ca 0.12 -1.16 0.03 0.00 -2.44 0.00 0.00 57.07 53.62 2hfn s TYR 46 Cb -0.10 -1.40 0.13 0.00 0.35 0.00 0.00 41.96 40.93 2hfn s TYR 46 CO 0.01 -0.63 0.24 0.45 -1.34 0.00 0.00 175.55 174.28 2hfn s SER 47 N 1.58 3.97 -0.20 4.32 0.15 0.44 -1.48 113.70 122.47 2hfn s SER 47 Ca 0.01 -2.75 -0.42 0.00 0.70 0.00 0.00 55.95 53.49 2hfn s SER 47 Cb -0.15 -1.30 -0.19 0.00 -1.71 0.00 0.00 66.02 62.67 2hfn s SER 47 CO -0.08 -0.26 1.39 2.29 1.20 0.00 0.00 173.24 177.78 2hfn n LYS 48 N 3.41 0.32 -0.26 5.44 0.00 -1.26 -0.23 118.16 125.58 2hfn n LYS 48 Ca 0.07 0.12 0.11 0.00 -0.00 0.00 0.00 58.31 58.60 2hfn n LYS 48 Cb 0.34 -1.66 0.27 0.00 -0.00 0.00 0.00 35.03 33.98 2hfn n LYS 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2hfn n PRO 49 N 3.07 2.43 -3.44 -1.58 -0.04 -1.26 -5.10 135.00 129.07 2hfn n PRO 49 Ca 0.25 -2.19 -0.33 0.00 -0.04 0.00 0.00 63.50 61.19 2hfn n PRO 49 Cb 0.05 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.97 2hfn n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hfn s ALA 50 N -1.30 3.60 0.03 0.55 0.00 0.68 -0.04 121.76 125.27 2hfn s ALA 50 Ca 0.41 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2hfn s ALA 50 Cb 0.22 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2hfn s ALA 50 CO 0.30 0.52 0.05 -0.06 0.00 0.00 0.00 175.76 176.56 2hfn s PHE 51 N -1.72 3.15 -0.08 0.00 0.08 -0.41 -0.42 117.98 118.59 2hfn s PHE 51 Ca 0.44 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.59 2hfn s PHE 51 Cb -0.12 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 2hfn s PHE 51 CO 0.21 0.51 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.63 2hfn s LEU 52 N -1.95 0.96 0.07 -0.37 2.96 -0.22 -2.02 118.68 118.11 2hfn s LEU 52 Ca 0.24 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.03 2hfn s LEU 52 Cb -0.12 -0.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 2hfn s LEU 52 CO 0.16 -0.13 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.33 2hfn s GLN 53 N 1.63 0.81 -0.09 1.98 0.74 -0.28 -0.59 119.66 123.87 2hfn s GLN 53 Ca 0.01 -0.96 0.03 0.00 0.05 0.00 0.00 55.36 54.49 2hfn s GLN 53 Cb -0.13 -0.80 0.01 0.00 1.10 0.00 0.00 33.01 33.19 2hfn s GLN 53 CO -0.05 0.17 -0.20 0.54 -0.55 0.00 0.00 175.29 175.21 2hfn s VAL 54 N -1.34 1.73 -0.10 1.34 0.11 -0.58 -1.62 120.40 119.94 2hfn s VAL 54 Ca -0.02 -0.82 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 2hfn s VAL 54 Cb -0.10 -1.52 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 2hfn s VAL 54 CO 0.02 0.49 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.39 2hfn s LEU 55 N 0.50 2.74 0.02 2.54 1.43 -0.00 -1.84 118.68 124.07 2hfn s LEU 55 Ca -0.16 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2hfn s LEU 55 Cb -0.17 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2hfn s LEU 55 CO 0.06 0.23 -0.11 -1.61 0.23 0.00 0.00 176.35 175.15 2hfn s GLU 56 N -0.02 0.79 0.00 1.70 2.02 -0.08 -0.47 118.70 122.64 2hfn s GLU 56 Ca -0.03 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2hfn s GLU 56 Cb -0.14 -0.76 0.00 0.00 0.10 0.00 0.00 34.13 33.33 2hfn s GLU 56 CO 0.04 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.92 2hfn n GLY 57 N 2.35 -0.66 3.77 -1.39 0.00 -0.67 -1.35 105.19 107.24 2hfn n GLY 57 Ca -0.16 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 2hfn n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hfn s GLU 58 N -1.80 3.96 0.20 1.61 -6.30 -1.26 -0.53 118.70 114.57 2hfn s GLU 58 Ca 0.00 2.01 -0.11 0.00 -2.50 0.00 0.00 54.97 54.37 2hfn s GLU 58 Cb 0.00 -2.69 0.22 0.00 0.00 0.00 0.00 34.13 31.66 2hfn s GLU 58 CO 0.00 -0.45 1.75 0.00 0.02 0.00 0.00 175.26 176.58 2hfn h GLU 60 N 0.39 0.86 -0.36 0.00 4.81 -1.91 -1.44 114.58 116.95 2hfn h GLU 60 Ca 0.27 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2hfn h GLU 60 Cb 0.31 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2hfn h GLU 60 CO -0.27 0.67 -0.09 1.96 -0.73 0.00 0.00 179.01 180.55 2hfn h GLN 61 N 0.83 0.69 -0.50 1.92 1.08 -1.63 0.63 115.11 118.14 2hfn h GLN 61 Ca 0.21 -0.27 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2hfn h GLN 61 Cb 0.07 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2hfn h GLN 61 CO -0.03 0.85 0.32 0.28 -0.95 0.00 0.00 178.83 179.30 2hfn h VAL 62 N 0.48 1.10 -0.59 -0.54 2.07 -0.60 -0.62 116.25 117.55 2hfn h VAL 62 Ca 0.09 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 2hfn h VAL 62 Cb 0.60 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2hfn h VAL 62 CO 0.04 0.12 0.10 0.78 0.02 0.00 0.00 177.57 178.62 2hfn h ASN 63 N 0.64 0.94 -0.18 0.57 4.21 -1.21 0.12 115.58 120.66 2hfn h ASN 63 Ca 0.19 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 2hfn h ASN 63 Cb -0.04 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 36.90 2hfn h ASN 63 CO -0.06 0.96 0.08 -0.08 -1.29 0.00 0.00 177.43 177.04 2hfn h GLU 64 N 0.88 0.27 0.00 0.81 4.22 -0.49 -1.11 114.58 119.16 2hfn h GLU 64 Ca 0.18 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 2hfn h GLU 64 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2hfn h GLU 64 CO 0.01 0.32 -0.00 1.15 -2.18 0.00 0.00 179.01 178.31 2hfn h THR 65 N 0.15 1.03 -0.46 0.32 2.02 -1.09 -2.20 112.91 112.68 2hfn h THR 65 Ca 0.06 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2hfn h THR 65 Cb 0.15 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2hfn h THR 65 CO -0.01 0.03 0.24 0.22 0.37 0.00 0.00 175.52 176.37 2hfn h TYR 66 N -0.04 0.44 0.00 3.16 5.03 -0.85 -0.99 116.97 123.72 2hfn h TYR 66 Ca -0.00 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 2hfn h TYR 66 Cb 0.04 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 2hfn h TYR 66 CO -0.06 0.23 -0.33 0.45 -1.32 0.00 0.00 178.16 177.12 2hfn h HIS 67 N 0.47 0.00 -0.17 -3.82 3.86 -1.10 -0.53 115.15 113.86 2hfn h HIS 67 Ca 0.20 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 2hfn h HIS 67 Cb 0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 2hfn h HIS 67 CO -0.10 0.33 -0.20 -0.09 0.86 0.00 0.00 177.93 178.74 2hfn h ARG 68 N 0.00 0.44 -0.85 2.45 2.43 -1.00 -3.17 114.38 114.68 2hfn h ARG 68 Ca -0.00 -0.24 0.08 0.00 -0.81 0.00 0.00 59.98 59.01 2hfn h ARG 68 Cb 0.78 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 2hfn h ARG 68 CO 0.04 0.81 0.50 0.82 -1.51 0.00 0.00 179.97 180.64 2hfn h ILE 69 N 0.08 0.96 0.00 1.20 2.04 -0.45 -2.19 117.51 119.15 2hfn h ILE 69 Ca 0.02 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2hfn h ILE 69 Cb 0.74 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2hfn h ILE 69 CO 0.05 0.16 -0.15 -0.37 0.00 0.00 0.00 178.15 177.83 2hfn h VAL 70 N 0.87 0.85 0.00 1.67 -1.51 -1.10 -1.78 116.25 115.25 2hfn h VAL 70 Ca 0.40 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2hfn h VAL 70 Cb 0.30 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 2hfn h VAL 70 CO -0.22 0.15 0.00 0.00 -1.23 0.00 0.00 177.57 176.27 2hfn n GLN 71 N -3.98 0.30 -2.31 5.19 6.02 -0.83 -4.87 117.38 116.90 2hfn n GLN 71 Ca -0.02 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 2hfn n GLN 71 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 2hfn n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2hfn s ASP 72 N -2.61 6.95 0.00 1.08 2.15 -0.67 -4.91 116.67 118.66 2hfn s ASP 72 Ca 0.21 2.07 0.23 0.00 0.43 0.00 0.00 52.55 55.48 2hfn s ASP 72 Cb 0.15 -2.57 1.30 0.00 -0.30 0.00 0.00 42.92 41.51 2hfn s ASP 72 CO 0.35 -0.61 1.75 -0.62 -0.17 0.00 0.00 175.17 175.87 2hfn n GLU 73 N 4.70 0.59 0.00 4.34 1.02 -1.26 -3.22 120.64 126.81 2hfn n GLU 73 Ca 0.11 0.03 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 2hfn n GLU 73 Cb 0.45 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 30.90 2hfn n GLU 73 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hfn n ARG 74 N -1.10 1.16 -3.95 3.49 1.74 -1.26 -4.86 116.66 111.89 2hfn n ARG 74 Ca 0.15 -0.59 -0.10 0.00 -0.77 0.00 0.00 57.85 56.54 2hfn n ARG 74 Cb 0.11 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 2hfn n ARG 74 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2hfn s HIS 75 N -2.25 0.34 0.25 -1.55 -3.43 -1.20 -1.51 115.29 105.95 2hfn s HIS 75 Ca 0.33 -0.69 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 2hfn s HIS 75 Cb 0.20 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.39 2hfn s HIS 75 CO 0.42 -0.82 0.33 -3.38 -2.00 0.00 0.00 174.74 169.29 2hfn s HIS 76 N -3.98 0.91 -1.26 0.38 -3.43 0.20 -4.86 115.29 103.26 2hfn s HIS 76 Ca 0.18 -1.16 -0.04 0.00 -0.80 0.00 0.00 55.06 53.24 2hfn s HIS 76 Cb 0.02 -0.22 -0.01 0.00 -1.43 0.00 0.00 32.58 30.94 2hfn s HIS 76 CO 0.03 -0.88 0.72 0.43 -2.00 0.00 0.00 174.74 173.04 2hfn n SER 77 N -0.62 -2.38 -4.77 7.38 7.64 -1.26 -1.54 113.62 118.07 2hfn n SER 77 Ca 0.01 -0.85 -0.39 0.00 1.01 0.00 0.00 58.87 58.64 2hfn n SER 77 Cb 0.63 -4.01 -0.01 0.00 -1.01 0.00 0.00 64.21 59.82 2hfn n SER 77 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2hfn s PRO 78 N -5.84 4.04 -0.21 1.43 0.04 -1.26 -4.48 135.00 128.72 2hfn s PRO 78 Ca 0.13 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2hfn s PRO 78 Cb -0.04 -2.80 0.05 0.00 0.04 0.00 0.00 34.50 31.76 2hfn s PRO 78 CO 0.82 -0.42 -0.06 -0.65 0.04 0.00 0.00 177.00 176.73 2hfn s GLN 79 N -2.17 1.61 -0.08 4.56 -1.52 0.12 -4.99 119.66 117.18 2hfn s GLN 79 Ca 0.56 -0.85 -0.30 0.00 -1.95 0.00 0.00 55.36 52.82 2hfn s GLN 79 Cb -0.37 -2.43 -0.04 0.00 -0.22 0.00 0.00 33.01 29.95 2hfn s GLN 79 CO 0.48 -0.54 1.46 0.42 -0.25 0.00 0.00 175.29 176.86 2hfn s ILE 80 N 1.46 3.86 -0.11 1.08 1.01 -1.26 -1.29 121.20 125.95 2hfn s ILE 80 Ca -0.04 1.08 -0.07 0.00 0.00 0.00 0.00 60.65 61.63 2hfn s ILE 80 Cb -0.18 -3.70 -0.27 0.00 0.01 0.00 0.00 42.46 38.33 2hfn s ILE 80 CO -0.07 -0.08 0.41 0.40 0.00 0.00 0.00 174.94 175.60 2hfn h ILE 81 N 5.42 0.66 -2.21 2.92 2.04 -0.93 -3.48 117.51 121.93 2hfn h ILE 81 Ca -0.34 -2.37 -0.07 0.00 1.00 0.00 0.00 64.86 63.08 2hfn h ILE 81 Cb 1.15 2.54 -0.21 0.00 -0.74 0.00 0.00 36.82 39.56 2hfn h ILE 81 CO 0.95 0.89 0.06 -0.70 0.00 0.00 0.00 178.15 179.35 2hfn s GLU 82 N -2.56 0.85 -0.10 2.37 2.12 -0.97 -4.75 118.70 115.66 2hfn s GLU 82 Ca -0.21 0.57 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 2hfn s GLU 82 Cb 0.06 0.40 0.05 0.00 0.26 0.00 0.00 34.13 34.91 2hfn s GLU 82 CO 0.78 -0.18 0.21 0.00 -0.54 0.00 0.00 175.26 175.53 2hfn s MET 84 N 2.08 1.08 0.58 0.00 0.23 -0.76 -5.01 119.30 117.50 2hfn s MET 84 Ca -0.01 -0.28 -0.20 0.00 -1.03 0.00 0.00 55.69 54.18 2hfn s MET 84 Cb -0.12 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.64 2hfn s MET 84 CO -0.07 -0.45 1.25 -2.14 -2.03 0.00 0.00 175.02 171.58 2hfn s PRO 85 N -3.05 3.02 0.14 3.16 0.02 -1.26 -1.12 135.00 135.91 2hfn s PRO 85 Ca 0.00 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.02 2hfn s PRO 85 Cb -0.01 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2hfn s PRO 85 CO -0.08 -1.20 -0.13 0.96 -0.33 0.00 0.00 177.00 176.22 2hfn s ILE 86 N -1.49 1.35 0.15 2.83 -4.36 -0.46 -4.80 121.20 114.41 2hfn s ILE 86 Ca 0.76 -1.84 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 2hfn s ILE 86 Cb -0.33 -1.65 -0.17 0.00 1.25 0.00 0.00 42.46 41.56 2hfn s ILE 86 CO 0.37 -0.50 1.34 0.03 0.24 0.00 0.00 174.94 176.42 2hfn h ARG 87 N 3.28 0.22 -2.79 0.37 2.47 -1.97 -3.43 114.38 112.53 2hfn h ARG 87 Ca -0.39 -0.26 0.06 0.00 -1.26 0.00 0.00 59.98 58.13 2hfn h ARG 87 Cb 1.20 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 29.50 2hfn h ARG 87 CO 0.54 1.00 0.30 -0.98 0.56 0.00 0.00 179.97 181.39 2hfn s ARG 88 N -3.13 1.34 0.56 0.04 1.70 -1.26 -5.09 118.95 113.10 2hfn s ARG 88 Ca -0.03 -0.62 -0.17 0.00 -0.47 0.00 0.00 55.73 54.44 2hfn s ARG 88 Cb 0.10 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.96 2hfn s ARG 88 CO 0.84 -0.60 1.06 1.03 -1.08 0.00 0.00 175.30 176.55 2hfn s ARG 89 N -3.63 3.46 -0.00 3.89 0.52 -1.26 -4.97 118.95 116.95 2hfn s ARG 89 Ca 0.06 1.30 0.10 0.00 -0.52 0.00 0.00 55.73 56.67 2hfn s ARG 89 Cb -0.03 -2.05 -0.13 0.00 0.52 0.00 0.00 34.95 33.27 2hfn s ARG 89 CO -0.04 -0.71 0.36 0.09 0.02 0.00 0.00 175.30 175.02 2hfn n ASN 90 N -1.64 1.15 -4.40 0.23 3.02 -1.26 -4.89 115.26 107.46 2hfn n ASN 90 Ca 0.09 -0.51 -0.34 0.00 -0.03 0.00 0.00 54.58 53.79 2hfn n ASN 90 Cb 0.53 1.15 -0.13 0.00 -0.61 0.00 0.00 39.78 40.71 2hfn n ASN 90 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2hfn s PHE 91 N -2.19 2.97 -0.13 3.10 0.40 -1.26 -3.40 117.98 117.47 2hfn s PHE 91 Ca 0.01 -0.60 0.16 0.00 -0.60 0.00 0.00 56.93 55.91 2hfn s PHE 91 Cb 0.07 -2.02 0.18 0.00 0.51 0.00 0.00 43.02 41.76 2hfn s PHE 91 CO 0.42 -0.28 1.50 0.93 0.70 0.00 0.00 175.22 178.49 2hfn h GLU 92 N 7.35 0.00 -4.24 0.44 5.08 -1.89 -3.43 114.58 117.89 2hfn h GLU 92 Ca -0.35 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 2hfn h GLU 92 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 2hfn h GLU 92 CO 0.60 0.45 -0.52 0.14 -1.00 0.00 0.00 179.01 178.68 2hfn s VAL 93 N -3.06 0.08 -0.15 3.13 -7.23 -1.26 -5.03 120.40 106.87 2hfn s VAL 93 Ca 0.04 -1.73 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 2hfn s VAL 93 Cb 0.08 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 2hfn s VAL 93 CO 0.73 -0.34 0.98 0.86 -0.31 0.00 0.00 175.10 177.01 2hfn s TRP 94 N -4.03 3.45 -0.17 2.82 -0.11 -1.26 -1.54 118.94 118.09 2hfn s TRP 94 Ca 0.23 1.49 -0.29 0.00 1.22 0.00 0.00 56.10 58.75 2hfn s TRP 94 Cb 0.06 -3.17 -0.02 0.00 -1.50 0.00 0.00 33.47 28.83 2hfn s TRP 94 CO 0.03 -0.29 1.44 0.45 -4.62 0.00 0.00 176.95 173.95 2hfn s SER 95 N 1.14 6.71 0.20 5.86 0.15 -0.35 -4.91 113.70 122.50 2hfn s SER 95 Ca 0.45 1.72 -0.10 0.00 0.70 0.00 0.00 55.95 58.72 2hfn s SER 95 Cb -0.17 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.74 2hfn s SER 95 CO 0.14 -0.96 1.83 -0.03 1.20 0.00 0.00 173.24 175.41 2hfn h MET 96 N 9.23 1.00 -5.99 5.44 4.05 -1.95 -3.40 114.93 123.31 2hfn h MET 96 Ca -0.31 -0.11 -0.56 0.00 -0.28 0.00 0.00 59.70 58.44 2hfn h MET 96 Cb 1.13 -0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 31.67 2hfn h MET 96 CO 0.98 0.73 0.08 -1.14 0.23 0.00 0.00 176.91 177.80 2hfn s GLN 97 N -5.90 4.41 0.00 0.39 0.74 -1.26 -4.88 119.66 113.17 2hfn s GLN 97 Ca -0.13 0.84 0.00 0.00 0.05 0.00 0.00 55.36 56.12 2hfn s GLN 97 Cb 0.15 -3.46 0.00 0.00 1.10 0.00 0.00 33.01 30.80 2hfn s GLN 97 CO 0.79 0.04 0.00 0.00 -0.55 0.00 0.00 175.29 175.57 2hfn n ALA 98 N 3.89 0.00 -2.62 1.58 0.00 -1.26 -4.73 120.51 117.37 2hfn n ALA 98 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 2hfn n ALA 98 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 2hfn n ALA 98 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hfn s ILE 99 N 0.00 5.23 -0.10 0.00 -1.09 -0.70 -5.00 121.20 119.54 2hfn s ILE 99 Ca 0.00 0.45 -0.12 0.00 -2.23 0.00 0.00 60.65 58.75 2hfn s ILE 99 Cb 0.00 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2hfn s ILE 99 CO 0.00 0.22 0.28 0.42 -1.23 0.00 0.00 174.94 174.63 2hfn s THR 100 N 1.75 5.28 -0.21 2.92 -4.23 -1.26 -0.67 115.64 119.21 2hfn s THR 100 Ca 0.13 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 2hfn s THR 100 Cb -0.15 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.15 2hfn s THR 100 CO 0.09 0.51 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.93 2hfn s VAL 101 N -0.42 1.43 0.00 2.29 1.01 -0.55 -4.94 120.40 119.23 2hfn s VAL 101 Ca 0.18 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2hfn s VAL 101 Cb -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2hfn s VAL 101 CO 0.07 -0.02 0.00 -0.46 0.00 0.00 0.00 175.10 174.69 2hfn n ASN 102 N 4.73 0.00 0.00 3.32 0.23 -1.26 -4.17 115.26 118.10 2hfn n ASN 102 Ca -0.12 -0.83 0.08 0.00 -0.53 0.00 0.00 54.58 53.17 2hfn n ASN 102 Cb 0.45 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.49 2hfn n ASN 102 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2hfn n ASP 103 N -1.41 0.00 -0.98 0.53 4.64 -1.26 -1.77 116.55 116.30 2hfn n ASP 103 Ca 0.00 0.49 0.12 0.00 -1.38 0.00 0.00 54.79 54.02 2hfn n ASP 103 Cb 0.00 -0.50 0.20 0.00 -1.04 0.00 0.00 41.12 39.78 2hfn n ASP 103 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2hfn n LEU 104 N -1.50 2.99 -4.71 -2.67 4.77 -1.26 -4.98 117.00 109.64 2hfn n LEU 104 Ca 0.04 -1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 54.57 2hfn n LEU 104 Cb 0.19 -0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.30 2hfn n LEU 104 CO 0.15 0.57 0.67 -0.44 -1.33 0.00 0.00 177.39 177.01 2hfn s SER 105 N -1.76 3.53 0.66 -1.43 0.01 -0.73 -5.00 113.70 108.98 2hfn s SER 105 Ca 0.34 1.74 -0.16 0.00 1.31 0.00 0.00 55.95 59.18 2hfn s SER 105 Cb 0.21 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2hfn s SER 105 CO 0.31 -2.64 1.16 -0.89 0.41 0.00 0.00 173.24 171.58 2hfn s THR 106 N -2.83 2.81 0.37 1.44 2.01 -1.26 -4.79 115.64 113.38 2hfn s THR 106 Ca 0.64 0.42 0.06 0.00 0.31 0.00 0.00 61.69 63.12 2hfn s THR 106 Cb -0.19 -3.00 0.29 0.00 0.01 0.00 0.00 72.50 69.62 2hfn s THR 106 CO 0.57 -0.19 1.96 -0.33 -0.69 0.00 0.00 174.62 175.94 2hfn h GLU 107 N 0.18 0.71 -0.17 4.92 3.07 -1.99 -0.97 114.58 120.34 2hfn h GLU 107 Ca -0.48 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.34 2hfn h GLU 107 Cb 1.27 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 2hfn h GLU 107 CO 0.53 0.47 0.10 0.37 -1.40 0.00 0.00 179.01 179.08 2hfn h GLN 108 N 0.74 0.19 -0.41 2.33 4.15 -1.99 -0.65 115.11 119.47 2hfn h GLN 108 Ca 0.31 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 2hfn h GLN 108 Cb 0.27 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2hfn h GLN 108 CO -0.10 0.13 0.06 0.28 -1.93 0.00 0.00 178.83 177.27 2hfn h VAL 109 N 0.20 1.25 -0.71 2.39 2.07 -1.80 -1.80 116.25 117.85 2hfn h VAL 109 Ca 0.07 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2hfn h VAL 109 Cb -0.00 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2hfn h VAL 109 CO -0.03 0.31 0.46 0.11 0.02 0.00 0.00 177.57 178.43 2hfn h LYS 110 N 0.54 0.94 -0.31 1.57 1.57 -1.06 -1.02 116.57 118.81 2hfn h LYS 110 Ca 0.12 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 2hfn h LYS 110 Cb 0.39 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2hfn h LYS 110 CO 0.01 0.64 -0.34 1.15 -0.57 0.00 0.00 179.45 180.33 2hfn h THR 111 N 0.97 1.29 -0.41 -0.16 2.02 -0.91 -1.42 112.91 114.28 2hfn h THR 111 Ca 0.26 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 2hfn h THR 111 Cb -0.09 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2hfn h THR 111 CO -0.05 0.48 0.25 0.25 0.37 0.00 0.00 175.52 176.82 2hfn h LEU 112 N 0.57 0.49 -0.36 2.58 6.46 -0.79 0.18 115.31 124.44 2hfn h LEU 112 Ca 0.06 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 2hfn h LEU 112 Cb 0.86 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 2hfn h LEU 112 CO 0.07 0.39 0.15 0.58 -0.62 0.00 0.00 178.44 179.02 2hfn h VAL 113 N 0.54 0.94 -0.66 1.05 2.07 -1.00 -2.41 116.25 116.78 2hfn h VAL 113 Ca 0.15 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2hfn h VAL 113 Cb -0.01 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2hfn h VAL 113 CO -0.03 0.06 0.35 0.25 0.02 0.00 0.00 177.57 178.22 2hfn h LEU 114 N 0.32 0.81 -1.55 2.57 5.85 -1.01 -2.23 115.31 120.07 2hfn h LEU 114 Ca 0.16 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.97 2hfn h LEU 114 Cb 0.10 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 2hfn h LEU 114 CO -0.14 0.66 0.53 0.50 -0.34 0.00 0.00 178.44 179.66 2hfn h LYS 115 N 0.92 0.41 -0.06 1.25 3.64 -0.12 -2.91 116.57 119.69 2hfn h LYS 115 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2hfn h LYS 115 Cb 0.04 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2hfn h LYS 115 CO -0.04 0.27 0.00 0.66 -2.27 0.00 0.00 179.45 178.07 2hfn n TYR 116 N -4.49 0.07 -3.94 1.91 4.02 -1.00 -5.06 117.16 108.68 2hfn n TYR 116 Ca 0.16 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.90 57.85 2hfn n TYR 116 Cb 0.57 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.89 2hfn n TYR 116 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2hfn s SER 117 N -0.85 0.47 0.23 7.72 1.04 -0.87 -4.89 113.70 116.55 2hfn s SER 117 Ca 0.13 -1.33 0.25 0.00 0.48 0.00 0.00 55.95 55.48 2hfn s SER 117 Cb 0.09 0.78 0.88 0.00 0.10 0.00 0.00 66.02 67.86 2hfn s SER 117 CO 0.13 -1.53 1.75 0.61 0.98 0.00 0.00 173.24 175.18 2hfn n GLY 118 N -0.56 -1.54 3.23 7.32 0.00 -1.26 -4.58 105.19 107.80 2hfn n GLY 118 Ca -0.04 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2hfn n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hfn n PHE 119 N -2.26 -1.29 1.12 1.61 3.72 -1.26 -5.03 117.46 114.07 2hfn n PHE 119 Ca 0.04 -2.37 0.12 0.00 -0.05 0.00 0.00 57.45 55.19 2hfn n PHE 119 Cb 0.35 0.48 0.26 0.00 -0.94 0.00 0.00 39.48 39.63 2hfn n PHE 119 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2hfn n THR 120 N -0.57 0.00 -3.79 4.37 5.66 -1.26 -3.36 114.28 115.32 2hfn n THR 120 Ca 0.02 -0.09 -0.36 0.00 -3.05 0.00 0.00 64.05 60.57 2hfn n THR 120 Cb 0.57 0.47 -0.07 0.00 -1.55 0.00 0.00 70.33 69.76 2hfn n THR 120 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2hfn s THR 121 N -2.71 5.45 -0.14 1.09 -4.23 -1.26 -4.76 115.64 109.09 2hfn s THR 121 Ca 0.18 0.22 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 2hfn s THR 121 Cb 0.18 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 2hfn s THR 121 CO 0.61 0.53 1.43 -0.22 -0.54 0.00 0.00 174.62 176.43 2hfn s LEU 122 N -0.33 4.19 -0.42 4.79 2.96 -1.26 -4.95 118.68 123.67 2hfn s LEU 122 Ca 0.12 1.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.90 2hfn s LEU 122 Cb -0.12 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.17 2hfn s LEU 122 CO 0.01 -0.88 0.23 -0.13 -1.32 0.00 0.00 176.35 174.26 2hfn s ARG 123 N 3.82 1.16 0.46 1.98 0.52 -1.26 -4.88 118.95 120.75 2hfn s ARG 123 Ca 0.63 -1.87 0.25 0.00 -0.52 0.00 0.00 55.73 54.22 2hfn s ARG 123 Cb -0.26 -2.18 1.27 0.00 0.52 0.00 0.00 34.95 34.30 2hfn s ARG 123 CO 0.22 -1.16 1.83 -1.35 0.02 0.00 0.00 175.30 174.86 2hfn h PRO 124 N 6.84 0.22 0.00 3.54 0.11 -1.93 -1.64 132.00 139.13 2hfn h PRO 124 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2hfn h PRO 124 Cb 0.94 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2hfn h PRO 124 CO 0.45 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 2hfn n SER 125 N -4.43 0.63 -0.59 -2.05 3.41 -1.26 -1.63 113.62 107.70 2hfn n SER 125 Ca 0.22 0.74 0.06 0.00 -0.26 0.00 0.00 58.87 59.63 2hfn n SER 125 Cb 0.92 -0.84 0.16 0.00 -0.26 0.00 0.00 64.21 64.19 2hfn n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hfn n ALA 126 N -1.79 2.39 -2.39 7.33 0.00 -0.62 -4.97 120.51 120.46 2hfn n ALA 126 Ca -0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 53.44 51.60 2hfn n ALA 126 Cb 0.11 -0.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.97 2hfn n ALA 126 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2hfn s MET 127 N -1.62 1.84 0.71 0.00 -1.94 -0.65 -4.84 119.30 112.80 2hfn s MET 127 Ca 0.26 -1.10 -0.06 0.00 -1.71 0.00 0.00 55.69 53.08 2hfn s MET 127 Cb 0.18 -2.04 0.08 0.00 2.01 0.00 0.00 34.83 35.06 2hfn s MET 127 CO 0.11 0.51 1.01 0.16 -0.01 0.00 0.00 175.02 176.80 2hfn s ASP 128 N -1.41 4.62 0.27 3.03 3.84 -1.26 -4.83 116.67 120.93 2hfn s ASP 128 Ca 0.13 0.24 -0.02 0.00 -0.00 0.00 0.00 52.55 52.90 2hfn s ASP 128 Cb -0.10 -0.82 0.42 0.00 -1.38 0.00 0.00 42.92 41.04 2hfn s ASP 128 CO 0.04 -1.70 1.88 -0.65 -0.00 0.00 0.00 175.17 174.74 2hfn h PRO 129 N -0.61 1.14 -0.50 2.11 0.11 -1.98 -0.57 132.00 131.70 2hfn h PRO 129 Ca -0.43 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2hfn h PRO 129 Cb 1.30 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2hfn h PRO 129 CO 0.54 0.75 0.16 1.49 -0.21 0.00 0.00 178.00 180.73 2hfn h GLU 130 N 1.17 0.77 -0.28 1.05 4.81 -1.98 -0.68 114.58 119.44 2hfn h GLU 130 Ca 0.44 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2hfn h GLU 130 Cb 0.19 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2hfn h GLU 130 CO -0.18 0.72 0.09 1.96 -0.73 0.00 0.00 179.01 180.87 2hfn h GLN 131 N 0.67 0.44 -0.28 1.92 4.20 -1.81 -0.72 115.11 119.53 2hfn h GLN 131 Ca 0.16 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2hfn h GLN 131 Cb 0.26 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 2hfn h GLN 131 CO -0.01 0.49 0.03 0.00 -0.67 0.00 0.00 178.83 178.68 2hfn h LEU 133 N 0.13 0.41 -0.66 0.00 5.85 -0.93 -1.70 115.31 118.41 2hfn h LEU 133 Ca 0.13 -0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2hfn h LEU 133 Cb 0.15 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2hfn h LEU 133 CO -0.19 0.49 -0.42 0.78 -0.34 0.00 0.00 178.44 178.76 2hfn h ASN 134 N 0.31 0.60 -0.03 1.25 2.35 -1.07 -0.33 115.58 118.67 2hfn h ASN 134 Ca 0.09 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2hfn h ASN 134 Cb 0.22 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2hfn h ASN 134 CO -0.01 0.95 -0.03 0.15 -1.65 0.00 0.00 177.43 176.85 2hfn h PHE 135 N 0.46 -0.06 -0.70 1.19 3.04 -0.95 -0.67 116.94 119.25 2hfn h PHE 135 Ca 0.04 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 2hfn h PHE 135 Cb 0.92 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.43 2hfn h PHE 135 CO 0.04 -0.04 0.43 -0.07 -2.02 0.00 0.00 178.31 176.64 2hfn h LEU 136 N -0.03 0.83 -0.41 0.59 3.38 -1.08 -0.24 115.31 118.35 2hfn h LEU 136 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2hfn h LEU 136 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2hfn h LEU 136 CO -0.05 0.64 0.20 -0.07 0.09 0.00 0.00 178.44 179.25 2hfn h LEU 137 N 0.95 0.54 -0.46 1.67 3.38 -0.98 -1.52 115.31 118.89 2hfn h LEU 137 Ca 0.25 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2hfn h LEU 137 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2hfn h LEU 137 CO -0.05 0.51 -0.01 0.44 0.09 0.00 0.00 178.44 179.42 2hfn h ASP 138 N 0.52 0.81 0.02 -0.43 3.32 -0.70 -1.95 116.42 118.02 2hfn h ASP 138 Ca 0.14 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.76 2hfn h ASP 138 Cb 0.12 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2hfn h ASP 138 CO -0.02 0.93 -0.36 -0.29 -1.72 0.00 0.00 179.24 177.78 2hfn h ILE 139 N 0.67 1.29 -0.52 0.35 2.10 -1.00 -1.46 117.51 118.95 2hfn h ILE 139 Ca 0.13 -1.46 -0.03 0.00 1.08 0.00 0.00 64.86 64.58 2hfn h ILE 139 Cb 0.52 1.52 -0.03 0.00 -1.09 0.00 0.00 36.82 37.74 2hfn h ILE 139 CO 0.03 0.46 0.20 0.00 -1.08 0.00 0.00 178.15 177.76 2hfn h ALA 140 N 1.23 1.39 -0.20 0.18 0.00 -0.97 -1.67 119.26 119.23 2hfn h ALA 140 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2hfn h ALA 140 Cb 0.81 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2hfn h ALA 140 CO 0.07 0.46 -0.11 -0.22 0.00 0.00 0.00 179.25 179.45 2hfn h LYS 141 N 0.74 0.42 -0.64 0.00 3.64 -0.98 -0.88 116.57 118.88 2hfn h LYS 141 Ca 0.18 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2hfn h LYS 141 Cb 0.15 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 2hfn h LYS 141 CO -0.02 0.73 0.38 0.82 -2.27 0.00 0.00 179.45 179.09 2hfn h ILE 142 N 0.11 1.03 -0.07 2.00 2.04 -0.91 -1.48 117.51 120.23 2hfn h ILE 142 Ca 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2hfn h ILE 142 Cb 0.61 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2hfn h ILE 142 CO 0.03 0.13 0.00 -1.22 0.00 0.00 0.00 178.15 177.09 2hfn n TYR 143 N -4.75 0.10 -3.41 1.37 4.02 -0.66 -4.91 117.16 108.92 2hfn n TYR 143 Ca 0.07 -0.05 -0.25 0.00 -0.01 0.00 0.00 57.90 57.66 2hfn n TYR 143 Cb 0.12 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.46 2hfn n TYR 143 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2hfn n GLU 144 N -0.31 -4.54 -0.09 -0.72 1.02 -0.56 -4.86 120.64 110.58 2hfn n GLU 144 Ca 0.05 0.65 -0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2hfn n GLU 144 Cb 0.08 -5.46 -0.05 0.00 -0.02 0.00 0.00 31.44 25.99 2hfn n GLU 144 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2hfn n LEU 145 N -4.11 1.89 0.00 -4.62 4.77 -0.37 -4.99 117.00 109.58 2hfn n LEU 145 Ca -0.03 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2hfn n LEU 145 Cb 0.56 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2hfn n LEU 145 CO 0.57 -0.15 0.00 -0.24 -1.33 0.00 0.00 177.39 176.24 2hfn n SER 146 N -4.48 0.00 -2.60 -1.43 2.88 -1.11 -4.78 113.62 102.10 2hfn n SER 146 Ca -0.20 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.08 2hfn n SER 146 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 2hfn n SER 146 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2hfn n ASP 147 N 1.41 6.61 -3.16 -3.46 2.03 -1.26 -3.15 116.55 115.56 2hfn n ASP 147 Ca 0.00 -2.93 -0.22 0.00 0.52 0.00 0.00 54.79 52.16 2hfn n ASP 147 Cb 0.00 -1.34 0.01 0.00 -0.72 0.00 0.00 41.12 39.08 2hfn n ASP 147 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2hfn n ASN 148 N 1.73 -4.87 0.00 1.67 2.85 -1.22 -5.08 115.26 110.34 2hfn n ASN 148 Ca 0.52 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.68 2hfn n ASN 148 Cb 0.57 -3.98 0.00 0.00 1.24 0.00 0.00 39.78 37.61 2hfn n ASN 148 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64