#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfn s LEU 6 N 0.00 4.34 0.14 1.04 2.96 -1.26 0.19 118.68 126.08 2hfn s LEU 6 Ca 0.00 2.21 0.05 0.00 -0.22 0.00 0.00 54.13 56.17 2hfn s LEU 6 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2hfn s LEU 6 CO 0.00 -0.71 -0.12 -0.31 -1.32 0.00 0.00 176.35 173.89 2hfn s TYR 7 N 2.03 1.32 -0.04 5.38 1.51 0.53 -1.11 117.35 126.97 2hfn s TYR 7 Ca 0.65 -0.67 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2hfn s TYR 7 Cb -0.34 -0.67 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 2hfn s TYR 7 CO 0.28 0.12 -0.16 0.50 -1.11 0.00 0.00 175.55 175.18 2hfn s ARG 8 N -3.32 1.65 -0.07 -0.62 3.52 -0.23 -2.14 118.95 117.75 2hfn s ARG 8 Ca 0.14 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.19 2hfn s ARG 8 Cb -0.01 -1.46 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 2hfn s ARG 8 CO 0.02 0.24 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.43 2hfn s LEU 9 N 0.03 1.72 -0.09 -0.88 0.20 0.06 -1.77 118.68 117.94 2hfn s LEU 9 Ca -0.03 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.47 2hfn s LEU 9 Cb -0.11 -0.94 -0.01 0.00 -0.43 0.00 0.00 46.19 44.70 2hfn s LEU 9 CO 0.02 0.05 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.32 2hfn s ILE 10 N 0.63 2.68 0.10 6.68 1.01 0.01 -0.47 121.20 131.84 2hfn s ILE 10 Ca -0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 2hfn s ILE 10 Cb -0.16 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2hfn s ILE 10 CO 0.04 0.55 0.04 -0.72 0.00 0.00 0.00 174.94 174.86 2hfn s TYR 11 N -0.00 0.68 0.16 3.97 1.13 -0.55 -0.07 117.35 122.67 2hfn s TYR 11 Ca -0.06 -1.12 0.07 0.00 -1.41 0.00 0.00 57.07 54.56 2hfn s TYR 11 Cb -0.15 -0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 40.27 2hfn s TYR 11 CO 0.05 -0.48 -0.16 -1.54 -2.51 0.00 0.00 175.55 170.91 2hfn s SER 12 N -2.99 2.43 0.20 -0.18 1.04 -0.42 -1.42 113.70 112.35 2hfn s SER 12 Ca 0.17 -0.89 -0.14 0.00 0.48 0.00 0.00 55.95 55.56 2hfn s SER 12 Cb 0.07 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2hfn s SER 12 CO -0.03 -0.11 0.46 -0.94 0.98 0.00 0.00 173.24 173.59 2hfn s SER 13 N -2.79 -0.14 -0.38 7.02 1.04 -0.83 0.30 113.70 117.93 2hfn s SER 13 Ca 0.15 -0.70 -0.13 0.00 0.48 0.00 0.00 55.95 55.76 2hfn s SER 13 Cb -0.04 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2hfn s SER 13 CO 0.05 -1.04 0.26 -1.10 0.98 0.00 0.00 173.24 172.39 2hfn s GLN 14 N -3.93 3.13 0.63 4.02 -1.52 0.02 -1.18 119.66 120.82 2hfn s GLN 14 Ca 0.14 -0.89 -0.18 0.00 -1.95 0.00 0.00 55.36 52.48 2hfn s GLN 14 Cb 0.00 -3.86 -0.02 0.00 -0.22 0.00 0.00 33.01 28.92 2hfn s GLN 14 CO 0.01 -0.62 1.22 0.20 -0.25 0.00 0.00 175.29 175.85 2hfn s GLY 15 N 1.67 2.68 0.67 3.09 0.00 0.10 -0.22 107.32 115.31 2hfn s GLY 15 Ca 0.05 1.01 -0.17 0.00 0.00 0.00 0.00 44.72 45.61 2hfn s GLY 15 CO 0.09 1.41 1.20 -0.26 0.00 0.00 0.00 173.10 175.54 2hfn s ILE 16 N -1.64 2.52 0.32 0.90 -4.36 -0.28 -4.85 121.20 113.80 2hfn s ILE 16 Ca 0.78 0.28 0.25 0.00 -0.26 0.00 0.00 60.65 61.70 2hfn s ILE 16 Cb -0.31 -2.94 0.25 0.00 1.25 0.00 0.00 42.46 40.71 2hfn s ILE 16 CO 0.36 -0.11 1.74 -0.65 0.24 0.00 0.00 174.94 176.52 2hfn h PRO 17 N 0.22 0.00 0.00 0.37 0.11 -1.94 -3.06 132.00 127.70 2hfn h PRO 17 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hfn h PRO 17 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2hfn h PRO 17 CO 0.52 0.00 -0.55 0.09 -0.21 0.00 0.00 178.00 177.86 2hfn n ASN 18 N -2.55 0.53 -4.42 -2.05 4.13 -1.26 -4.98 115.26 104.67 2hfn n ASN 18 Ca -0.02 -0.19 -0.55 0.00 1.68 0.00 0.00 54.58 55.51 2hfn n ASN 18 Cb 0.27 0.27 -0.09 0.00 -1.54 0.00 0.00 39.78 38.69 2hfn n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hfn n LEU 19 N -1.61 1.73 -4.98 3.41 -0.00 -1.16 -4.97 117.00 109.43 2hfn n LEU 19 Ca 0.05 0.58 -0.19 0.00 -0.00 0.00 0.00 56.01 56.45 2hfn n LEU 19 Cb 0.36 -1.13 -0.01 0.00 -0.00 0.00 0.00 43.42 42.63 2hfn n LEU 19 CO 0.35 -0.71 0.03 -1.10 -0.00 0.00 0.00 177.39 175.97 2hfn s GLN 20 N 5.80 3.14 0.31 1.47 -0.21 -1.26 -5.00 119.66 123.91 2hfn s GLN 20 Ca 1.11 -0.99 0.06 0.00 0.02 0.00 0.00 55.36 55.56 2hfn s GLN 20 Cb -1.08 -2.81 0.84 0.00 1.00 0.00 0.00 33.01 30.96 2hfn s GLN 20 CO 0.57 0.12 1.64 -1.35 -2.12 0.00 0.00 175.29 174.14 2hfn h PRO 21 N 0.96 0.19 -0.66 2.91 0.10 -2.01 -1.12 132.00 132.38 2hfn h PRO 21 Ca -0.47 -0.01 0.02 0.00 0.10 0.00 0.00 66.00 65.65 2hfn h PRO 21 Cb 1.25 -0.04 -0.04 0.00 0.10 0.00 0.00 31.00 32.27 2hfn h PRO 21 CO 0.54 0.13 0.43 0.37 0.10 0.00 0.00 178.00 179.57 2hfn h GLN 22 N 0.20 0.80 -0.52 1.05 -0.00 -1.99 -1.30 115.11 113.34 2hfn h GLN 22 Ca 0.62 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 59.20 2hfn h GLN 22 Cb 1.32 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 28.59 2hfn h GLN 22 CO -0.68 0.53 0.26 -0.44 0.00 0.00 0.00 178.83 178.50 2hfn h ASP 23 N 0.82 0.68 -0.21 -0.69 3.32 -1.59 -0.21 116.42 118.54 2hfn h ASP 23 Ca 0.25 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 2hfn h ASP 23 Cb 0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2hfn h ASP 23 CO -0.07 0.61 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.92 2hfn h LEU 24 N 0.70 0.53 -0.47 1.55 4.07 -1.31 -0.83 115.31 119.56 2hfn h LEU 24 Ca 0.18 -0.13 -0.14 0.00 0.08 0.00 0.00 57.88 57.87 2hfn h LEU 24 Cb 0.10 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2hfn h LEU 24 CO -0.02 0.65 -0.28 0.11 -1.08 0.00 0.00 178.44 177.81 2hfn h LYS 25 N 0.52 0.96 -0.22 1.13 1.57 -0.90 -2.23 116.57 117.40 2hfn h LYS 25 Ca 0.10 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2hfn h LYS 25 Cb 0.44 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2hfn h LYS 25 CO 0.02 1.11 0.04 -0.44 -0.57 0.00 0.00 179.45 179.61 2hfn h ASP 26 N 0.81 0.35 -0.23 0.86 3.45 -0.67 -0.14 116.42 120.85 2hfn h ASP 26 Ca 0.09 -0.25 0.04 0.00 0.43 0.00 0.00 57.03 57.34 2hfn h ASP 26 Cb 0.86 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.50 2hfn h ASP 26 CO 0.08 0.51 -0.02 0.40 -1.57 0.00 0.00 179.24 178.64 2hfn h ILE 27 N 0.17 0.82 -0.41 0.35 2.04 -1.18 -1.34 117.51 117.97 2hfn h ILE 27 Ca 0.07 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 2hfn h ILE 27 Cb 0.31 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2hfn h ILE 27 CO 0.00 0.01 0.13 0.25 0.00 0.00 0.00 178.15 178.54 2hfn h LEU 28 N 0.05 0.59 -0.60 1.44 7.12 -1.25 -0.36 115.31 122.30 2hfn h LEU 28 Ca 0.11 -0.20 0.03 0.00 0.13 0.00 0.00 57.88 57.95 2hfn h LEU 28 Cb 0.15 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.08 2hfn h LEU 28 CO -0.20 0.64 0.36 -0.33 -0.13 0.00 0.00 178.44 178.78 2hfn h GLU 29 N 0.51 0.68 -0.16 1.25 4.39 -0.93 -0.20 114.58 120.12 2hfn h GLU 29 Ca 0.13 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2hfn h GLU 29 Cb 0.25 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2hfn h GLU 29 CO -0.00 0.45 0.05 0.77 -1.16 0.00 0.00 179.01 179.11 2hfn h SER 30 N 0.70 0.24 -0.72 1.42 0.02 -0.96 -1.56 113.55 112.69 2hfn h SER 30 Ca 0.24 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2hfn h SER 30 Cb 0.04 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2hfn h SER 30 CO -0.11 0.39 0.24 0.77 -1.14 0.00 0.00 176.83 176.98 2hfn h SER 31 N 0.08 1.04 0.75 3.07 4.64 -0.93 -0.25 113.55 121.96 2hfn h SER 31 Ca 0.05 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 2hfn h SER 31 Cb 0.24 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2hfn h SER 31 CO -0.00 0.96 -0.25 1.56 -0.87 0.00 0.00 176.83 178.23 2hfn h GLN 32 N 1.08 0.00 0.15 4.77 4.20 -0.90 -0.51 115.11 123.91 2hfn h GLN 32 Ca 0.24 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.73 2hfn h GLN 32 Cb 0.28 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.08 2hfn h GLN 32 CO -0.01 0.25 -0.95 -0.09 -0.67 0.00 0.00 178.83 177.36 2hfn h ARG 33 N 0.00 0.38 0.18 1.46 2.43 -0.70 -3.41 114.38 114.72 2hfn h ARG 33 Ca -0.00 -0.61 -0.30 0.00 -0.81 0.00 0.00 59.98 58.26 2hfn h ARG 33 Cb 0.69 0.22 0.02 0.00 -0.42 0.00 0.00 29.97 30.48 2hfn h ARG 33 CO 0.03 1.28 -1.42 -0.91 -1.51 0.00 0.00 179.97 177.44 2hfn h ASN 34 N -0.20 0.59 -0.38 -3.80 2.35 -0.97 -3.40 115.58 109.76 2hfn h ASN 34 Ca -0.16 -0.92 0.02 0.00 -0.55 0.00 0.00 56.30 54.69 2hfn h ASN 34 Cb 1.73 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.88 2hfn h ASN 34 CO 0.18 1.65 0.22 0.78 -1.65 0.00 0.00 177.43 178.62 2hfn h ASN 35 N -0.08 0.36 -0.48 5.81 2.35 -1.31 -3.14 115.58 119.09 2hfn h ASN 35 Ca -0.27 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.57 2hfn h ASN 35 Cb 1.95 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 40.17 2hfn h ASN 35 CO 0.17 0.26 0.00 -0.65 -1.65 0.00 0.00 177.43 175.56 2hfn h PRO 36 N 0.46 0.11 -0.14 0.81 0.11 -1.78 -0.79 132.00 130.78 2hfn h PRO 36 Ca 0.15 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 2hfn h PRO 36 Cb 0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 2hfn h PRO 36 CO -0.07 0.08 0.06 0.00 -0.21 0.00 0.00 178.00 177.86 2hfn h ALA 37 N 1.43 1.86 -0.12 -0.75 0.00 -1.79 -2.45 119.26 117.43 2hfn h ALA 37 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2hfn h ALA 37 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hfn h ALA 37 CO -0.40 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.06 2hfn n ASN 38 N -4.49 2.01 -1.95 0.00 3.02 -0.53 -4.95 115.26 108.38 2hfn n ASN 38 Ca -0.01 -1.71 -0.18 0.00 -0.03 0.00 0.00 54.58 52.65 2hfn n ASN 38 Cb 0.10 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.22 -0.01 3.77 7.41 0.00 -0.42 -4.77 105.19 112.40 2hfn n GLY 39 Ca 0.17 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.86 5.16 0.26 -0.61 -1.09 -0.55 -4.31 121.20 117.20 2hfn s ILE 40 Ca 0.00 0.79 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2hfn s ILE 40 Cb 0.00 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 2hfn s ILE 40 CO 0.00 0.45 -0.03 0.42 -1.23 0.00 0.00 174.94 174.55 2hfn s THR 41 N -0.14 1.38 -5.00 2.92 -4.23 -0.62 -4.36 115.64 105.59 2hfn s THR 41 Ca 0.22 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2hfn s THR 41 Cb -0.15 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2hfn s THR 41 CO 0.10 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 2hfn n GLY 42 N -0.52 -0.46 3.27 3.99 0.00 -0.97 -0.86 105.19 109.64 2hfn n GLY 42 Ca -0.05 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 0.53 -0.13 0.99 2.96 -0.94 -3.64 118.68 118.45 2hfn s LEU 43 Ca 0.00 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 2hfn s LEU 43 Cb 0.00 1.30 0.00 0.00 0.50 0.00 0.00 46.19 48.00 2hfn s LEU 43 CO 0.00 -0.13 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.46 2hfn s LEU 44 N 0.24 2.17 -0.02 -0.68 2.96 0.15 -1.38 118.68 122.11 2hfn s LEU 44 Ca -0.00 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2hfn s LEU 44 Cb -0.03 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 2hfn s LEU 44 CO 0.00 0.11 -0.07 0.00 -1.32 0.00 0.00 176.35 175.07 2hfn s TYR 46 N -0.93 3.11 -0.55 0.00 5.04 0.35 -1.13 117.35 123.24 2hfn s TYR 46 Ca 0.15 -1.87 0.04 0.00 -2.44 0.00 0.00 57.07 52.95 2hfn s TYR 46 Cb -0.11 -2.00 0.14 0.00 0.35 0.00 0.00 41.96 40.34 2hfn s TYR 46 CO 0.05 -0.80 0.31 0.45 -1.34 0.00 0.00 175.55 174.22 2hfn s SER 47 N 1.23 4.35 -0.36 4.32 0.15 0.47 -0.63 113.70 123.25 2hfn s SER 47 Ca -0.03 -3.17 -0.35 0.00 0.70 0.00 0.00 55.95 53.11 2hfn s SER 47 Cb -0.17 -1.59 -0.15 0.00 -1.71 0.00 0.00 66.02 62.39 2hfn s SER 47 CO -0.06 -0.20 1.17 0.29 1.20 0.00 0.00 173.24 175.64 2hfn n LYS 48 N 2.90 0.00 -0.27 5.44 4.01 -1.26 -0.32 118.16 128.66 2hfn n LYS 48 Ca 0.08 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.00 2hfn n LYS 48 Cb 0.33 -1.11 0.27 0.00 -0.51 0.00 0.00 35.03 34.00 2hfn n LYS 48 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2hfn n PRO 49 N 2.90 2.56 -3.64 1.97 -0.04 -1.26 -5.09 135.00 132.40 2hfn n PRO 49 Ca 0.23 -2.39 -0.32 0.00 -0.04 0.00 0.00 63.50 60.98 2hfn n PRO 49 Cb -0.04 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.29 3.77 0.02 0.55 0.00 0.57 0.01 121.76 125.39 2hfn s ALA 50 Ca 0.43 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2hfn s ALA 50 Cb 0.24 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2hfn s ALA 50 CO 0.32 0.64 0.07 -0.06 0.00 0.00 0.00 175.76 176.73 2hfn s PHE 51 N -1.62 3.22 -0.07 0.00 0.40 -0.32 -0.39 117.98 119.20 2hfn s PHE 51 Ca 0.40 0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 2hfn s PHE 51 Cb -0.12 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.74 2hfn s PHE 51 CO 0.23 0.53 -0.09 -1.17 0.70 0.00 0.00 175.22 175.41 2hfn s LEU 52 N -1.93 1.48 0.01 -0.37 2.96 -0.28 -1.96 118.68 118.59 2hfn s LEU 52 Ca 0.25 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2hfn s LEU 52 Cb -0.12 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 2hfn s LEU 52 CO 0.16 -0.01 -0.05 -1.58 -1.32 0.00 0.00 176.35 173.55 2hfn s GLN 53 N 0.89 0.36 -0.05 1.98 0.74 -0.51 -0.18 119.66 122.88 2hfn s GLN 53 Ca -0.11 -0.32 0.05 0.00 0.05 0.00 0.00 55.36 55.03 2hfn s GLN 53 Cb -0.15 -0.26 -0.02 0.00 1.10 0.00 0.00 33.01 33.68 2hfn s GLN 53 CO 0.01 0.06 -0.20 0.54 -0.55 0.00 0.00 175.29 175.16 2hfn s VAL 54 N -0.51 2.56 -0.03 1.34 0.11 -0.48 -1.48 120.40 121.92 2hfn s VAL 54 Ca -0.03 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.18 2hfn s VAL 54 Cb -0.04 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.83 2hfn s VAL 54 CO -0.00 0.58 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.40 2hfn s LEU 55 N -0.42 1.99 0.06 2.54 1.43 0.38 -2.21 118.68 122.44 2hfn s LEU 55 Ca 0.04 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2hfn s LEU 55 Cb -0.12 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2hfn s LEU 55 CO 0.02 0.20 -0.15 -1.61 0.23 0.00 0.00 176.35 175.04 2hfn s GLU 56 N -0.23 0.92 0.00 1.70 2.02 -0.04 -0.76 118.70 122.31 2hfn s GLU 56 Ca 0.02 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2hfn s GLU 56 Cb -0.09 -0.96 0.00 0.00 0.10 0.00 0.00 34.13 33.18 2hfn s GLU 56 CO 0.01 0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.92 2hfn n GLY 57 N 1.60 -1.58 3.77 -1.39 0.00 -0.91 -1.59 105.19 105.09 2hfn n GLY 57 Ca -0.19 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.99 3.96 0.23 1.61 2.12 -1.26 -0.35 118.70 123.01 2hfn s GLU 58 Ca 0.00 2.21 -0.11 0.00 0.36 0.00 0.00 54.97 57.44 2hfn s GLU 58 Cb 0.00 -2.77 0.33 0.00 0.26 0.00 0.00 34.13 31.95 2hfn s GLU 58 CO 0.00 -0.52 1.63 0.00 -0.54 0.00 0.00 175.26 175.83 2hfn h GLU 60 N 0.05 1.05 -0.23 0.00 4.81 -1.91 -1.09 114.58 117.26 2hfn h GLU 60 Ca 0.36 -0.24 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 2hfn h GLU 60 Cb 0.58 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2hfn h GLU 60 CO -0.67 0.93 -0.23 1.96 -0.73 0.00 0.00 179.01 180.27 2hfn h GLN 61 N 1.00 0.56 -0.38 1.92 1.08 -1.53 -0.07 115.11 117.69 2hfn h GLN 61 Ca 0.21 -0.30 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2hfn h GLN 61 Cb 0.36 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 2hfn h GLN 61 CO 0.00 0.89 0.19 0.28 -0.95 0.00 0.00 178.83 179.24 2hfn h VAL 62 N 0.26 0.97 -0.48 -0.54 2.07 -0.83 -0.21 116.25 117.49 2hfn h VAL 62 Ca 0.04 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2hfn h VAL 62 Cb 0.79 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2hfn h VAL 62 CO 0.06 0.07 0.24 0.78 0.02 0.00 0.00 177.57 178.74 2hfn h ASN 63 N 0.39 0.63 -0.27 0.57 2.35 -1.17 0.61 115.58 118.69 2hfn h ASN 63 Ca 0.16 -0.12 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2hfn h ASN 63 Cb 0.07 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2hfn h ASN 63 CO -0.12 0.57 0.00 -0.33 -1.65 0.00 0.00 177.43 175.91 2hfn h GLU 64 N 0.64 0.08 0.06 0.81 4.39 -0.72 -1.84 114.58 118.00 2hfn h GLU 64 Ca 0.17 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2hfn h GLU 64 Cb 0.11 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2hfn h GLU 64 CO -0.02 0.05 -0.03 1.15 -1.16 0.00 0.00 179.01 179.00 2hfn h THR 65 N 0.08 1.06 -0.41 1.13 2.02 -0.87 -2.48 112.91 113.45 2hfn h THR 65 Ca 0.13 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2hfn h THR 65 Cb 0.17 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 2hfn h THR 65 CO -0.21 0.10 0.17 0.22 0.37 0.00 0.00 175.52 176.17 2hfn h TYR 66 N -0.27 0.31 0.00 3.16 5.03 -0.83 -0.89 116.97 123.47 2hfn h TYR 66 Ca -0.01 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.25 2hfn h TYR 66 Cb 0.23 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.43 2hfn h TYR 66 CO -0.01 0.13 -0.34 0.45 -1.32 0.00 0.00 178.16 177.07 2hfn h HIS 67 N 0.35 0.00 0.07 -3.82 3.86 -1.28 -0.47 115.15 113.87 2hfn h HIS 67 Ca 0.19 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2hfn h HIS 67 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2hfn h HIS 67 CO -0.13 0.34 -0.04 -0.09 0.86 0.00 0.00 177.93 178.87 2hfn h ARG 68 N 0.00 -0.10 -0.73 2.45 2.43 -0.98 -3.24 114.38 114.21 2hfn h ARG 68 Ca -0.00 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 2hfn h ARG 68 Cb 0.80 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 2hfn h ARG 68 CO 0.04 0.22 0.33 0.82 -1.51 0.00 0.00 179.97 179.87 2hfn h ILE 69 N -0.42 0.76 -0.03 1.20 2.04 -0.55 -1.37 117.51 119.14 2hfn h ILE 69 Ca -0.01 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2hfn h ILE 69 Cb 0.36 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2hfn h ILE 69 CO 0.02 0.10 0.06 -0.37 0.00 0.00 0.00 178.15 177.95 2hfn h VAL 70 N 0.53 0.25 -0.00 1.67 -1.51 -1.14 -1.04 116.25 115.01 2hfn h VAL 70 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.85 2hfn h VAL 70 Cb 0.50 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 2hfn h VAL 70 CO -0.33 0.00 -0.10 0.00 -1.23 0.00 0.00 177.57 175.91 2hfn n GLN 71 N -3.44 0.42 -1.99 5.19 1.13 -0.52 -4.88 117.38 113.29 2hfn n GLN 71 Ca -0.02 -0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.51 2hfn n GLN 71 Cb 0.14 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 2hfn n GLN 71 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2hfn s ASP 72 N -2.65 6.65 0.00 1.08 2.15 -0.39 -4.90 116.67 118.61 2hfn s ASP 72 Ca 0.24 2.48 0.15 0.00 0.43 0.00 0.00 52.55 55.85 2hfn s ASP 72 Cb 0.20 -2.58 0.78 0.00 -0.30 0.00 0.00 42.92 41.02 2hfn s ASP 72 CO 0.50 -0.82 1.41 -1.84 -0.17 0.00 0.00 175.17 174.26 2hfn n GLU 73 N 4.79 0.24 0.00 4.34 0.28 -1.26 -3.25 120.64 125.78 2hfn n GLU 73 Ca 0.14 0.13 0.13 0.00 -0.16 0.00 0.00 57.16 57.40 2hfn n GLU 73 Cb 0.40 -1.50 0.40 0.00 1.43 0.00 0.00 31.44 32.17 2hfn n GLU 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2hfn n ARG 74 N -1.25 1.07 -3.95 3.44 1.74 -1.26 -4.85 116.66 111.59 2hfn n ARG 74 Ca 0.08 -0.64 -0.10 0.00 -0.77 0.00 0.00 57.85 56.42 2hfn n ARG 74 Cb 0.11 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.37 0.34 0.29 -1.55 -3.43 -1.20 -1.13 115.29 106.24 2hfn s HIS 75 Ca 0.27 -0.69 -0.04 0.00 -0.80 0.00 0.00 55.06 53.81 2hfn s HIS 75 Cb 0.20 0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.40 2hfn s HIS 75 CO 0.47 -0.83 0.39 -3.38 -2.00 0.00 0.00 174.74 169.40 2hfn s HIS 76 N -3.98 0.98 -1.26 0.38 -3.43 0.69 -4.83 115.29 103.85 2hfn s HIS 76 Ca 0.18 -1.21 -0.06 0.00 -0.80 0.00 0.00 55.06 53.17 2hfn s HIS 76 Cb 0.02 -0.17 -0.01 0.00 -1.43 0.00 0.00 32.58 30.99 2hfn s HIS 76 CO 0.03 -0.99 0.68 0.43 -2.00 0.00 0.00 174.74 172.89 2hfn n SER 77 N -0.97 -2.56 -4.76 7.38 7.64 -1.26 -0.80 113.62 118.28 2hfn n SER 77 Ca 0.01 -0.91 -0.40 0.00 1.01 0.00 0.00 58.87 58.58 2hfn n SER 77 Cb 0.62 -3.75 -0.03 0.00 -1.01 0.00 0.00 64.21 60.04 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 -5.97 4.51 -0.28 1.43 0.04 -1.26 -4.36 135.00 129.10 2hfn s PRO 78 Ca 0.17 1.99 0.01 0.00 0.04 0.00 0.00 61.00 63.21 2hfn s PRO 78 Cb -0.05 -3.14 0.08 0.00 0.04 0.00 0.00 34.50 31.43 2hfn s PRO 78 CO 0.84 0.02 0.00 -0.65 0.04 0.00 0.00 177.00 177.25 2hfn s GLN 79 N -1.53 1.44 0.07 4.56 -1.52 0.15 -4.99 119.66 117.83 2hfn s GLN 79 Ca 0.47 -1.25 -0.31 0.00 -1.95 0.00 0.00 55.36 52.32 2hfn s GLN 79 Cb -0.35 -2.64 -0.09 0.00 -0.22 0.00 0.00 33.01 29.70 2hfn s GLN 79 CO 0.46 -0.76 1.74 0.42 -0.25 0.00 0.00 175.29 176.90 2hfn s ILE 80 N 1.30 2.95 -0.17 1.08 1.01 -1.26 -1.31 121.20 124.80 2hfn s ILE 80 Ca 0.01 0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 2hfn s ILE 80 Cb -0.19 -3.21 -0.23 0.00 0.01 0.00 0.00 42.46 38.85 2hfn s ILE 80 CO -0.10 -0.01 0.18 -0.38 0.00 0.00 0.00 174.94 174.63 2hfn n ILE 81 N 4.91 1.68 -3.67 2.92 5.41 0.90 -4.95 119.36 126.55 2hfn n ILE 81 Ca 0.17 -0.54 -0.14 0.00 1.00 0.00 0.00 62.75 63.24 2hfn n ILE 81 Cb 0.40 -1.71 -0.08 0.00 -0.71 0.00 0.00 39.64 37.53 2hfn n ILE 81 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2hfn s GLU 82 N -2.52 0.69 -0.05 0.38 2.12 -0.97 -4.74 118.70 113.60 2hfn s GLU 82 Ca -0.27 0.74 -0.02 0.00 0.36 0.00 0.00 54.97 55.78 2hfn s GLU 82 Cb 0.07 0.33 0.04 0.00 0.26 0.00 0.00 34.13 34.83 2hfn s GLU 82 CO 0.69 -0.09 0.09 0.00 -0.54 0.00 0.00 175.26 175.41 2hfn s MET 84 N 2.20 0.75 0.56 0.00 1.00 -0.73 -5.02 119.30 118.06 2hfn s MET 84 Ca 0.04 0.05 -0.20 0.00 0.00 0.00 0.00 55.69 55.58 2hfn s MET 84 Cb -0.12 0.34 -0.04 0.00 0.00 0.00 0.00 34.83 35.01 2hfn s MET 84 CO -0.04 -0.20 1.23 -2.14 0.00 0.00 0.00 175.02 173.87 2hfn s PRO 85 N -1.05 3.12 0.12 2.03 0.02 -1.26 -1.07 135.00 136.91 2hfn s PRO 85 Ca -0.11 1.90 0.05 0.00 0.02 0.00 0.00 61.00 62.86 2hfn s PRO 85 Cb -0.04 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2hfn s PRO 85 CO 0.05 -1.11 -0.12 0.96 -0.33 0.00 0.00 177.00 176.46 2hfn s ILE 86 N -1.52 1.16 0.14 2.83 -4.36 -0.27 -4.81 121.20 114.38 2hfn s ILE 86 Ca 0.74 -1.78 -0.02 0.00 -0.26 0.00 0.00 60.65 59.34 2hfn s ILE 86 Cb -0.32 -1.55 -0.16 0.00 1.25 0.00 0.00 42.46 41.68 2hfn s ILE 86 CO 0.36 -0.54 1.34 0.03 0.24 0.00 0.00 174.94 176.37 2hfn h ARG 87 N 3.35 0.35 -2.36 0.37 2.47 -1.97 -3.43 114.38 113.16 2hfn h ARG 87 Ca -0.38 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 57.98 2hfn h ARG 87 Cb 1.19 0.10 -0.16 0.00 -1.65 0.00 0.00 29.97 29.45 2hfn h ARG 87 CO 0.54 1.04 0.29 -0.98 0.56 0.00 0.00 179.97 181.43 2hfn s ARG 88 N -3.30 1.04 0.69 0.04 1.70 -1.26 -5.10 118.95 112.75 2hfn s ARG 88 Ca -0.05 -0.12 -0.11 0.00 -0.47 0.00 0.00 55.73 54.98 2hfn s ARG 88 Cb 0.09 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 2hfn s ARG 88 CO 0.85 -0.40 1.06 1.03 -1.08 0.00 0.00 175.30 176.76 2hfn s ARG 89 N -2.44 3.01 0.00 3.89 0.52 -1.26 -5.00 118.95 117.67 2hfn s ARG 89 Ca -0.03 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 55.96 2hfn s ARG 89 Cb -0.01 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.45 2hfn s ARG 89 CO -0.03 -1.00 0.00 0.09 0.02 0.00 0.00 175.30 174.39 2hfn n ASN 90 N -3.04 4.20 -0.97 0.23 4.13 -1.26 -4.79 115.26 113.77 2hfn n ASN 90 Ca 0.07 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.30 2hfn n ASN 90 Cb 0.55 0.91 0.21 0.00 -1.54 0.00 0.00 39.78 39.90 2hfn n ASN 90 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2hfn n PHE 91 N -1.33 0.86 0.30 3.10 3.01 -1.26 -4.79 117.46 117.35 2hfn n PHE 91 Ca 0.00 -1.42 0.20 0.00 1.01 0.00 0.00 57.45 57.24 2hfn n PHE 91 Cb 0.00 -0.41 1.03 0.00 -0.01 0.00 0.00 39.48 40.10 2hfn n PHE 91 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 2hfn h GLU 92 N 1.06 0.00 0.00 -1.08 9.09 -1.94 -2.24 114.58 119.47 2hfn h GLU 92 Ca 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.53 2hfn h GLU 92 Cb 1.50 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.60 2hfn h GLU 92 CO 0.29 0.00 -0.10 -0.39 0.05 0.00 0.00 179.01 178.85 2hfn h VAL 93 N 0.00 0.22 -3.19 -1.06 -1.51 -1.97 -3.44 116.25 105.30 2hfn h VAL 93 Ca 0.00 -0.96 -0.62 0.00 -1.23 0.00 0.00 66.70 63.89 2hfn h VAL 93 Cb 0.05 1.79 -0.35 0.00 -2.13 0.00 0.00 31.29 30.65 2hfn h VAL 93 CO 0.00 0.10 -0.85 0.26 -1.23 0.00 0.00 177.57 175.86 2hfn s TRP 94 N -3.48 2.28 0.24 5.19 0.51 -0.84 -4.98 118.94 117.86 2hfn s TRP 94 Ca 0.03 -1.18 -0.07 0.00 -2.12 0.00 0.00 56.10 52.76 2hfn s TRP 94 Cb 0.08 -1.61 0.26 0.00 -0.81 0.00 0.00 33.47 31.39 2hfn s TRP 94 CO 0.62 -0.59 1.90 0.66 -0.51 0.00 0.00 176.95 179.03 2hfn h SER 95 N 7.61 1.02 -3.41 2.95 4.64 -1.84 -2.56 113.55 121.96 2hfn h SER 95 Ca -0.35 -0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.05 2hfn h SER 95 Cb 1.17 -0.24 -0.26 0.00 -0.31 0.00 0.00 62.40 62.75 2hfn h SER 95 CO 0.53 0.72 0.55 -0.32 -0.87 0.00 0.00 176.83 177.44 2hfn s MET 96 N -6.11 0.47 0.10 4.77 -2.45 -1.26 -3.77 119.30 111.05 2hfn s MET 96 Ca -0.13 0.36 0.04 0.00 -1.25 0.00 0.00 55.69 54.71 2hfn s MET 96 Cb 0.18 0.23 -0.04 0.00 1.25 0.00 0.00 34.83 36.45 2hfn s MET 96 CO 0.80 -0.10 -0.11 1.14 1.05 0.00 0.00 175.02 177.81 2hfn s GLN 97 N -0.31 0.89 -0.05 4.11 -2.07 -1.24 -4.85 119.66 116.14 2hfn s GLN 97 Ca 0.02 -1.16 0.02 0.00 -1.82 0.00 0.00 55.36 52.42 2hfn s GLN 97 Cb -0.03 -0.65 0.01 0.00 -1.09 0.00 0.00 33.01 31.25 2hfn s GLN 97 CO -0.05 0.11 -0.09 0.00 -1.32 0.00 0.00 175.29 173.94 2hfn s ALA 98 N -2.29 0.99 -0.06 2.60 0.00 -1.26 -0.68 121.76 121.07 2hfn s ALA 98 Ca 0.06 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2hfn s ALA 98 Cb -0.04 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2hfn s ALA 98 CO 0.01 0.10 -0.14 0.42 0.00 0.00 0.00 175.76 176.14 2hfn s ILE 99 N 0.57 1.28 -0.03 0.00 1.01 0.00 -4.99 121.20 119.04 2hfn s ILE 99 Ca -0.10 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.76 2hfn s ILE 99 Cb -0.13 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 2hfn s ILE 99 CO 0.02 0.38 0.61 0.42 0.00 0.00 0.00 174.94 176.38 2hfn s THR 100 N 0.50 4.97 -0.25 2.92 -4.23 -1.26 -0.49 115.64 117.79 2hfn s THR 100 Ca -0.13 1.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 2hfn s THR 100 Cb -0.15 -3.95 0.07 0.00 1.34 0.00 0.00 72.50 69.81 2hfn s THR 100 CO 0.04 0.37 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.78 2hfn s VAL 101 N 0.15 1.41 0.00 2.29 1.01 0.20 -4.91 120.40 120.56 2hfn s VAL 101 Ca 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2hfn s VAL 101 Cb -0.18 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2hfn s VAL 101 CO 0.17 -0.23 0.00 -0.46 0.00 0.00 0.00 175.10 174.57 2hfn n ASN 102 N 4.69 0.00 0.11 3.32 2.04 -1.26 -3.98 115.26 120.18 2hfn n ASN 102 Ca -0.09 -0.63 0.12 0.00 -0.44 0.00 0.00 54.58 53.54 2hfn n ASN 102 Cb 0.44 0.00 0.46 0.00 -2.53 0.00 0.00 39.78 38.15 2hfn n ASN 102 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2hfn n ASP 103 N -1.25 0.65 0.09 0.53 4.64 -1.26 -2.12 116.55 117.83 2hfn n ASP 103 Ca 0.00 0.63 0.12 0.00 -1.38 0.00 0.00 54.79 54.16 2hfn n ASP 103 Cb 0.00 -0.78 0.23 0.00 -1.04 0.00 0.00 41.12 39.53 2hfn n ASP 103 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2hfn h LEU 104 N 0.00 0.00-10.15 -2.67 7.12 -1.99 -3.48 115.31 104.14 2hfn h LEU 104 Ca 0.00 -0.12 -0.49 0.00 0.13 0.00 0.00 57.88 57.40 2hfn h LEU 104 Cb 0.47 0.00 0.21 0.00 -0.53 0.00 0.00 40.66 40.81 2hfn h LEU 104 CO 0.00 0.06 0.01 -1.20 -0.13 0.00 0.00 178.44 177.18 2hfn n SER 105 N -2.28 -0.73 -4.78 1.25 7.64 -0.90 -4.99 113.62 108.84 2hfn n SER 105 Ca 0.04 0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.79 2hfn n SER 105 Cb 0.45 -1.36 0.09 0.00 -1.01 0.00 0.00 64.21 62.38 2hfn n SER 105 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2hfn s THR 106 N -2.52 3.39 0.23 0.44 -1.32 -1.26 -4.80 115.64 109.80 2hfn s THR 106 Ca 0.66 0.45 -0.07 0.00 -1.21 0.00 0.00 61.69 61.53 2hfn s THR 106 Cb -0.23 -3.07 0.18 0.00 -1.51 0.00 0.00 72.50 67.88 2hfn s THR 106 CO 0.62 -0.59 1.74 1.05 -2.21 0.00 0.00 174.62 175.23 2hfn h GLU 107 N -1.06 0.45 -0.18 7.08 9.09 -1.99 -0.92 114.58 127.04 2hfn h GLU 107 Ca -0.45 -0.03 0.04 0.00 0.05 0.00 0.00 59.36 58.97 2hfn h GLU 107 Cb 1.24 -0.10 -0.03 0.00 -1.65 0.00 0.00 28.75 28.20 2hfn h GLU 107 CO 0.55 0.30 -0.04 0.37 0.05 0.00 0.00 179.01 180.24 2hfn h GLN 108 N 0.46 0.01 -0.37 1.06 4.15 -2.00 -0.99 115.11 117.43 2hfn h GLN 108 Ca 0.36 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.75 2hfn h GLN 108 Cb 0.49 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 2hfn h GLN 108 CO -0.34 0.01 0.10 0.28 -1.93 0.00 0.00 178.83 176.94 2hfn h VAL 109 N 0.01 1.22 -0.77 2.39 2.07 -1.83 -2.17 116.25 117.17 2hfn h VAL 109 Ca 0.09 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2hfn h VAL 109 Cb 0.13 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2hfn h VAL 109 CO -0.18 0.26 0.41 0.11 0.02 0.00 0.00 177.57 178.19 2hfn h LYS 110 N 0.46 1.08 -0.45 1.57 1.57 -0.97 -1.57 116.57 118.26 2hfn h LYS 110 Ca 0.12 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2hfn h LYS 110 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2hfn h LYS 110 CO 0.00 0.81 0.06 1.15 -0.57 0.00 0.00 179.45 180.90 2hfn h THR 111 N 1.07 1.22 -0.47 -0.16 2.02 -1.06 -0.87 112.91 114.66 2hfn h THR 111 Ca 0.27 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 2hfn h THR 111 Cb 0.05 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2hfn h THR 111 CO -0.04 0.29 0.23 0.25 0.37 0.00 0.00 175.52 176.62 2hfn h LEU 112 N 0.67 0.62 -0.28 2.58 6.46 -0.90 0.18 115.31 124.65 2hfn h LEU 112 Ca 0.14 -0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 2hfn h LEU 112 Cb 0.32 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.06 2hfn h LEU 112 CO 0.01 0.57 0.03 0.58 -0.62 0.00 0.00 178.44 179.01 2hfn h VAL 113 N 0.62 0.83 -0.53 1.05 2.07 -0.82 -2.46 116.25 117.01 2hfn h VAL 113 Ca 0.16 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2hfn h VAL 113 Cb 0.12 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2hfn h VAL 113 CO -0.02 0.02 0.33 0.25 0.02 0.00 0.00 177.57 178.18 2hfn h LEU 114 N 0.12 0.62 -1.41 2.57 5.85 -0.87 -2.43 115.31 119.77 2hfn h LEU 114 Ca 0.13 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.91 2hfn h LEU 114 Cb 0.15 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2hfn h LEU 114 CO -0.20 0.47 0.49 0.50 -0.34 0.00 0.00 178.44 179.36 2hfn h LYS 115 N 0.73 0.66 -0.18 1.25 3.64 -0.15 -3.09 116.57 119.43 2hfn h LYS 115 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2hfn h LYS 115 Cb -0.05 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2hfn h LYS 115 CO -0.04 0.43 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 2hfn n TYR 116 N -4.49 0.23 -3.86 1.91 4.02 -0.99 -5.05 117.16 108.92 2hfn n TYR 116 Ca 0.12 -0.26 -0.09 0.00 -0.01 0.00 0.00 57.90 57.66 2hfn n TYR 116 Cb 0.31 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 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 -0.93 0.02 0.33 7.72 1.04 -0.95 -4.84 113.70 116.09 2hfn s SER 117 Ca 0.17 -1.03 0.26 0.00 0.48 0.00 0.00 55.95 55.83 2hfn s SER 117 Cb 0.10 0.79 0.78 0.00 0.10 0.00 0.00 66.02 67.78 2hfn s SER 117 CO 0.14 -1.53 1.75 1.23 0.98 0.00 0.00 173.24 175.80 2hfn h GLY 118 N 2.03 0.00 -1.59 7.32 0.00 -1.85 -3.42 103.07 105.56 2hfn h GLY 118 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.65 2hfn h GLY 118 CO 0.36 0.00 -0.38 0.69 0.00 0.00 0.00 176.54 177.21 2hfn n PHE 119 N -2.62 -0.76 1.07 5.60 3.01 -1.26 -5.05 117.46 117.45 2hfn n PHE 119 Ca 0.04 -2.39 0.12 0.00 1.01 0.00 0.00 57.45 56.23 2hfn n PHE 119 Cb 0.41 0.28 0.10 0.00 -0.01 0.00 0.00 39.48 40.26 2hfn n PHE 119 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2hfn n THR 120 N -0.54 0.00 -3.53 4.37 5.66 -1.26 -3.13 114.28 115.84 2hfn n THR 120 Ca 0.06 -0.25 -0.37 0.00 -3.05 0.00 0.00 64.05 60.44 2hfn n THR 120 Cb 0.52 1.07 -0.08 0.00 -1.55 0.00 0.00 70.33 70.29 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 -2.43 5.29 -0.22 1.09 -4.23 -1.26 -4.74 115.64 109.15 2hfn s THR 121 Ca 0.21 0.50 -0.29 0.00 -1.18 0.00 0.00 61.69 60.93 2hfn s THR 121 Cb 0.19 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.38 2hfn s THR 121 CO 0.53 0.34 1.45 -0.22 -0.54 0.00 0.00 174.62 176.18 2hfn s LEU 122 N 0.86 4.00 -0.35 4.79 2.96 -1.26 -4.97 118.68 124.71 2hfn s LEU 122 Ca 0.15 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 2hfn s LEU 122 Cb -0.13 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.13 2hfn s LEU 122 CO 0.05 -1.06 0.13 -0.13 -1.32 0.00 0.00 176.35 174.01 2hfn s ARG 123 N 4.21 0.94 0.56 1.98 0.52 -1.26 -4.82 118.95 121.08 2hfn s ARG 123 Ca 0.63 -1.40 0.26 0.00 -0.52 0.00 0.00 55.73 54.71 2hfn s ARG 123 Cb -0.23 -2.21 1.50 0.00 0.52 0.00 0.00 34.95 34.54 2hfn s ARG 123 CO 0.24 -1.03 2.05 -1.35 0.02 0.00 0.00 175.30 175.23 2hfn h PRO 124 N 7.69 0.00 0.00 3.54 0.11 -1.93 0.47 132.00 141.88 2hfn h PRO 124 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 2hfn h PRO 124 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 2hfn h PRO 124 CO 0.48 0.00 -0.00 0.77 -0.21 0.00 0.00 178.00 179.04 2hfn h SER 125 N 0.00 0.00 0.05 -2.05 0.02 -1.99 -2.82 113.55 106.76 2hfn h SER 125 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2hfn h SER 125 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2hfn h SER 125 CO -0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.60 2hfn n ALA 126 N -2.22 2.74 -2.56 3.77 0.00 0.15 -4.93 120.51 117.46 2hfn n ALA 126 Ca -0.03 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 2hfn n ALA 126 Cb 0.08 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.16 1.12 0.73 0.00 -1.94 -1.06 -4.82 119.30 111.17 2hfn s MET 127 Ca 0.33 -1.06 -0.07 0.00 -1.71 0.00 0.00 55.69 53.18 2hfn s MET 127 Cb 0.20 -1.30 0.08 0.00 2.01 0.00 0.00 34.83 35.82 2hfn s MET 127 CO 0.39 0.31 1.04 0.16 -0.01 0.00 0.00 175.02 176.91 2hfn s ASP 128 N -1.68 4.61 0.34 3.03 3.84 -1.26 -4.83 116.67 120.70 2hfn s ASP 128 Ca 0.05 0.35 0.06 0.00 -0.00 0.00 0.00 52.55 53.01 2hfn s ASP 128 Cb -0.10 -0.91 0.72 0.00 -1.38 0.00 0.00 42.92 41.25 2hfn s ASP 128 CO 0.03 -1.73 1.88 -0.65 -0.00 0.00 0.00 175.17 174.70 2hfn h PRO 129 N -0.69 0.77 -0.38 2.11 0.11 -1.97 -0.63 132.00 131.33 2hfn h PRO 129 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2hfn h PRO 129 Cb 1.30 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2hfn h PRO 129 CO 0.56 0.51 0.12 1.49 -0.21 0.00 0.00 178.00 180.48 2hfn h GLU 130 N 0.80 0.60 -0.59 1.05 4.81 -1.97 -1.36 114.58 117.92 2hfn h GLU 130 Ca 0.43 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2hfn h GLU 130 Cb 0.55 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2hfn h GLU 130 CO -0.20 0.60 0.06 1.96 -0.73 0.00 0.00 179.01 180.70 2hfn h GLN 131 N 0.48 1.00 -0.05 1.92 4.20 -1.76 -0.86 115.11 120.03 2hfn h GLN 131 Ca 0.12 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.57 2hfn h GLN 131 Cb 0.25 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2hfn h GLN 131 CO -0.00 0.96 -0.11 0.00 -0.67 0.00 0.00 178.83 179.01 2hfn h LEU 133 N -0.16 0.27 -0.83 0.00 5.85 -1.10 -1.42 115.31 117.92 2hfn h LEU 133 Ca 0.06 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 2hfn h LEU 133 Cb 0.24 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2hfn h LEU 133 CO -0.14 0.28 0.18 0.78 -0.34 0.00 0.00 178.44 179.20 2hfn h ASN 134 N 0.23 0.99 0.04 1.25 2.35 -1.04 0.12 115.58 119.53 2hfn h ASN 134 Ca 0.07 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2hfn h ASN 134 Cb 0.07 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2hfn h ASN 134 CO -0.01 0.94 -0.03 0.15 -1.65 0.00 0.00 177.43 176.83 2hfn h PHE 135 N 1.01 -0.08 -0.73 1.19 3.04 -0.87 -0.98 116.94 119.53 2hfn h PHE 135 Ca 0.22 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.14 2hfn h PHE 135 Cb 0.33 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 2hfn h PHE 135 CO 0.02 -0.05 0.34 -0.07 -2.02 0.00 0.00 178.31 176.54 2hfn h LEU 136 N -0.08 0.95 -0.54 0.59 3.38 -0.91 0.44 115.31 119.14 2hfn h LEU 136 Ca -0.00 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2hfn h LEU 136 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2hfn h LEU 136 CO -0.00 0.82 0.34 -0.07 0.09 0.00 0.00 178.44 179.62 2hfn h LEU 137 N 1.02 0.57 -0.45 1.67 3.38 -0.67 -1.43 115.31 119.40 2hfn h LEU 137 Ca 0.25 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 2hfn h LEU 137 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2hfn h LEU 137 CO -0.03 0.41 -0.70 0.44 0.09 0.00 0.00 178.44 178.64 2hfn h ASP 138 N 0.69 0.44 0.25 -0.43 3.32 -0.76 -2.40 116.42 117.53 2hfn h ASP 138 Ca 0.21 -0.28 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 2hfn h ASP 138 Cb -0.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2hfn h ASP 138 CO -0.07 1.01 -0.84 -0.29 -1.72 0.00 0.00 179.24 177.32 2hfn h ILE 139 N 0.26 1.38 -0.62 0.35 2.10 -0.87 -2.86 117.51 117.25 2hfn h ILE 139 Ca -0.02 -2.28 0.04 0.00 1.08 0.00 0.00 64.86 63.68 2hfn h ILE 139 Cb 1.27 2.25 -0.03 0.00 -1.09 0.00 0.00 36.82 39.22 2hfn h ILE 139 CO 0.12 0.69 0.41 0.00 -1.08 0.00 0.00 178.15 178.28 2hfn h ALA 140 N 0.79 1.68 -0.39 0.18 0.00 -1.16 -1.79 119.26 118.58 2hfn h ALA 140 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2hfn h ALA 140 Cb 1.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2hfn h ALA 140 CO 0.15 0.25 0.21 1.57 0.00 0.00 0.00 179.25 181.43 2hfn h LYS 141 N 0.72 0.55 -0.34 0.00 2.10 -1.25 -2.67 116.57 115.68 2hfn h LYS 141 Ca 0.25 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.85 2hfn h LYS 141 Cb 0.10 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2hfn h LYS 141 CO -0.07 0.45 0.23 0.82 -2.00 0.00 0.00 179.45 178.88 2hfn h ILE 142 N 0.50 1.04 -0.02 0.07 2.04 -1.13 -3.52 117.51 116.48 2hfn h ILE 142 Ca 0.14 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2hfn h ILE 142 Cb 0.07 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2hfn h ILE 142 CO -0.02 0.07 0.00 -1.22 0.00 0.00 0.00 178.15 176.98