#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 6.33 0.07 7.83 0.15 -1.26 -4.56 113.70 122.26 2hfn s SER 5 Ca 0.00 2.97 -0.30 0.00 0.70 0.00 0.00 55.95 59.32 2hfn s SER 5 Cb 0.00 -2.66 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2hfn s SER 5 CO 0.00 -0.87 1.07 -0.22 1.20 0.00 0.00 173.24 174.42 2hfn s LEU 6 N -2.16 4.41 0.14 3.45 2.96 -1.26 -0.47 118.68 125.75 2hfn s LEU 6 Ca 0.54 1.88 0.04 0.00 -0.22 0.00 0.00 54.13 56.36 2hfn s LEU 6 Cb -0.45 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.62 2hfn s LEU 6 CO 0.60 -0.29 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.94 2hfn s TYR 7 N 0.64 1.18 0.01 5.38 1.51 0.80 -1.30 117.35 125.57 2hfn s TYR 7 Ca 0.53 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2hfn s TYR 7 Cb -0.26 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.96 2hfn s TYR 7 CO 0.30 0.01 -0.08 0.50 -1.11 0.00 0.00 175.55 175.17 2hfn s ARG 8 N -3.78 0.59 -0.05 -0.62 3.52 -0.47 -1.98 118.95 116.17 2hfn s ARG 8 Ca 0.16 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.37 2hfn s ARG 8 Cb 0.03 -0.53 0.02 0.00 -1.56 0.00 0.00 34.95 32.91 2hfn s ARG 8 CO -0.00 0.14 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.39 2hfn s LEU 9 N -0.56 1.45 -0.10 -0.88 0.20 -0.14 -1.47 118.68 117.19 2hfn s LEU 9 Ca -0.00 -0.17 0.03 0.00 0.69 0.00 0.00 54.13 54.68 2hfn s LEU 9 Cb -0.05 -0.54 -0.00 0.00 -0.43 0.00 0.00 46.19 45.17 2hfn s LEU 9 CO 0.00 -0.02 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.19 2hfn s ILE 10 N 0.78 2.26 0.12 6.68 1.01 0.05 -0.26 121.20 131.83 2hfn s ILE 10 Ca -0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 2hfn s ILE 10 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2hfn s ILE 10 CO 0.01 0.55 0.08 -0.72 0.00 0.00 0.00 174.94 174.87 2hfn s TYR 11 N 0.28 0.68 0.15 3.97 1.13 -0.67 -0.33 117.35 122.55 2hfn s TYR 11 Ca -0.16 -1.09 0.06 0.00 -1.41 0.00 0.00 57.07 54.48 2hfn s TYR 11 Cb -0.17 -0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.27 2hfn s TYR 11 CO 0.08 -0.52 -0.14 -1.54 -2.51 0.00 0.00 175.55 170.91 2hfn s SER 12 N -3.00 2.19 0.25 -0.18 1.04 -0.19 -1.57 113.70 112.24 2hfn s SER 12 Ca 0.18 -0.88 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 2hfn s SER 12 Cb 0.07 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 2hfn s SER 12 CO -0.02 -0.15 0.44 -0.94 0.98 0.00 0.00 173.24 173.55 2hfn s SER 13 N -2.74 -0.01 -0.25 7.02 1.04 -0.77 0.21 113.70 118.21 2hfn s SER 13 Ca 0.13 -1.01 -0.07 0.00 0.48 0.00 0.00 55.95 55.48 2hfn s SER 13 Cb -0.03 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2hfn s SER 13 CO 0.04 -1.12 0.07 -1.10 0.98 0.00 0.00 173.24 172.10 2hfn s GLN 14 N -3.96 3.66 0.61 4.02 -1.52 -0.35 -1.37 119.66 120.75 2hfn s GLN 14 Ca 0.25 -0.48 -0.19 0.00 -1.95 0.00 0.00 55.36 52.99 2hfn s GLN 14 Cb 0.00 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.45 2hfn s GLN 14 CO 0.10 -0.18 1.28 0.20 -0.25 0.00 0.00 175.29 176.44 2hfn s GLY 15 N 1.60 2.84 0.57 3.09 0.00 0.40 -0.53 107.32 115.29 2hfn s GLY 15 Ca 0.06 1.18 -0.19 0.00 0.00 0.00 0.00 44.72 45.77 2hfn s GLY 15 CO 0.04 1.62 1.20 -0.26 0.00 0.00 0.00 173.10 175.69 2hfn s ILE 16 N -1.43 2.74 0.31 0.90 -4.36 -0.68 -4.84 121.20 113.85 2hfn s ILE 16 Ca 0.79 0.47 -0.30 0.00 -0.26 0.00 0.00 60.65 61.35 2hfn s ILE 16 Cb -0.36 -3.19 -0.12 0.00 1.25 0.00 0.00 42.46 40.04 2hfn s ILE 16 CO 0.39 -0.09 1.56 -2.65 0.24 0.00 0.00 174.94 174.40 2hfn n PRO 17 N -1.44 2.66 -1.65 0.37 -0.02 -1.26 -3.08 135.00 130.58 2hfn n PRO 17 Ca 0.13 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2hfn n PRO 17 Cb 0.50 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2hfn n PRO 17 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2hfn n ASN 18 N 1.80 -1.66 -4.75 2.55 2.04 -1.26 -5.02 115.26 108.96 2hfn n ASN 18 Ca 0.07 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.80 2hfn n ASN 18 Cb 0.37 -0.50 -0.01 0.00 -2.53 0.00 0.00 39.78 37.11 2hfn n ASN 18 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2hfn n LEU 19 N 0.00 4.42 -4.79 -4.53 4.77 -1.18 -5.02 117.00 110.67 2hfn n LEU 19 Ca 0.00 1.16 -0.26 0.00 -0.03 0.00 0.00 56.01 56.88 2hfn n LEU 19 Cb 0.33 -1.60 -0.05 0.00 -2.33 0.00 0.00 43.42 39.77 2hfn n LEU 19 CO 0.00 0.16 -0.22 -1.10 -1.33 0.00 0.00 177.39 174.90 2hfn s GLN 20 N -0.68 2.87 0.35 3.23 -1.52 -1.26 -5.00 119.66 117.64 2hfn s GLN 20 Ca 0.63 -0.91 0.15 0.00 -1.95 0.00 0.00 55.36 53.28 2hfn s GLN 20 Cb -0.49 -2.62 1.10 0.00 -0.22 0.00 0.00 33.01 30.78 2hfn s GLN 20 CO 0.50 0.47 1.67 -1.35 -0.25 0.00 0.00 175.29 176.33 2hfn h PRO 21 N 2.32 0.32 -0.65 2.91 0.11 -2.01 -0.10 132.00 134.90 2hfn h PRO 21 Ca -0.48 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2hfn h PRO 21 Cb 1.20 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 2hfn h PRO 21 CO 0.63 0.21 0.36 0.37 -0.21 0.00 0.00 178.00 179.35 2hfn h GLN 22 N 0.32 0.64 -0.99 1.05 5.75 -1.99 -2.20 115.11 117.70 2hfn h GLN 22 Ca 0.73 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 59.27 2hfn h GLN 22 Cb 1.70 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 30.03 2hfn h GLN 22 CO -0.59 0.43 0.64 -0.44 -2.65 0.00 0.00 178.83 176.22 2hfn h ASP 23 N 0.66 1.01 -0.27 -0.69 3.32 -1.40 0.10 116.42 119.16 2hfn h ASP 23 Ca 0.29 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 2hfn h ASP 23 Cb 0.18 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2hfn h ASP 23 CO -0.18 0.63 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.71 2hfn h LEU 24 N 1.14 0.73 -0.73 1.55 4.07 -1.38 -0.38 115.31 120.30 2hfn h LEU 24 Ca 0.43 -0.25 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 2hfn h LEU 24 Cb 0.21 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 2hfn h LEU 24 CO -0.18 0.92 0.16 0.07 -1.08 0.00 0.00 178.44 178.33 2hfn h LYS 25 N 0.64 1.13 -0.22 1.13 5.09 -0.66 -0.94 116.57 122.74 2hfn h LYS 25 Ca 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 60.65 60.55 2hfn h LYS 25 Cb 0.68 -0.15 -0.01 0.00 0.10 0.00 0.00 32.23 32.86 2hfn h LYS 25 CO 0.05 1.00 0.08 -0.44 -2.09 0.00 0.00 179.45 178.05 2hfn h ASP 26 N 1.07 0.31 -0.27 7.07 3.45 -0.53 -0.87 116.42 126.65 2hfn h ASP 26 Ca 0.22 -0.18 0.05 0.00 0.43 0.00 0.00 57.03 57.56 2hfn h ASP 26 Cb 0.38 -0.08 -0.05 0.00 -0.56 0.00 0.00 39.33 39.03 2hfn h ASP 26 CO 0.00 0.40 -0.05 0.40 -1.57 0.00 0.00 179.24 178.42 2hfn h ILE 27 N 0.20 0.75 -0.29 0.35 2.04 -1.00 -1.39 117.51 118.16 2hfn h ILE 27 Ca 0.07 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2hfn h ILE 27 Cb 0.19 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2hfn h ILE 27 CO -0.00 0.00 0.18 0.25 0.00 0.00 0.00 178.15 178.58 2hfn h LEU 28 N 0.02 0.31 -0.61 1.44 6.46 -1.04 -1.25 115.31 120.63 2hfn h LEU 28 Ca 0.13 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 2hfn h LEU 28 Cb 0.19 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2hfn h LEU 28 CO -0.26 0.22 0.28 -0.33 -0.62 0.00 0.00 178.44 177.73 2hfn h GLU 29 N 0.37 0.89 -0.39 1.25 5.08 -1.03 0.89 114.58 121.64 2hfn h GLU 29 Ca 0.11 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2hfn h GLU 29 Cb -0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2hfn h GLU 29 CO -0.04 0.73 0.11 0.77 -1.00 0.00 0.00 179.01 179.58 2hfn h SER 30 N 0.84 0.59 -0.66 1.42 0.02 -1.11 -1.62 113.55 113.02 2hfn h SER 30 Ca 0.21 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2hfn h SER 30 Cb 0.14 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2hfn h SER 30 CO -0.02 0.65 0.07 0.77 -1.14 0.00 0.00 176.83 177.16 2hfn h SER 31 N 0.49 1.07 0.53 3.07 4.64 -0.90 -0.19 113.55 122.26 2hfn h SER 31 Ca 0.12 -0.28 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 2hfn h SER 31 Cb 0.29 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2hfn h SER 31 CO -0.00 1.08 -0.28 1.56 -0.87 0.00 0.00 176.83 178.32 2hfn h GLN 32 N 1.03 0.00 -0.02 4.77 4.20 -0.73 0.11 115.11 124.46 2hfn h GLN 32 Ca 0.20 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.69 2hfn h GLN 32 Cb 0.49 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.28 2hfn h GLN 32 CO 0.02 0.28 -0.83 -0.09 -0.67 0.00 0.00 178.83 177.54 2hfn h ARG 33 N 0.00 0.60 0.14 1.46 2.43 -0.79 -3.40 114.38 114.83 2hfn h ARG 33 Ca -0.00 -0.62 -0.36 0.00 -0.81 0.00 0.00 59.98 58.19 2hfn h ARG 33 Cb 0.63 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2hfn h ARG 33 CO 0.04 1.23 -1.88 -0.91 -1.51 0.00 0.00 179.97 176.93 2hfn h ASN 34 N 0.22 0.47 -0.51 -3.80 2.35 -0.85 -3.41 115.58 110.05 2hfn h ASN 34 Ca -0.10 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.76 2hfn h ASN 34 Cb 1.50 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 2hfn h ASN 34 CO 0.16 1.78 0.32 0.78 -1.65 0.00 0.00 177.43 178.83 2hfn h ASN 35 N 0.08 0.60 -0.35 5.81 4.21 -0.99 -3.20 115.58 121.74 2hfn h ASN 35 Ca -0.38 -0.04 0.06 0.00 1.21 0.00 0.00 56.30 57.15 2hfn h ASN 35 Cb 2.06 -0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 39.05 2hfn h ASN 35 CO 0.12 0.46 -0.01 -0.65 -1.29 0.00 0.00 177.43 176.06 2hfn h PRO 36 N 0.68 0.08 0.00 0.81 0.11 -1.77 -0.34 132.00 131.57 2hfn h PRO 36 Ca 0.18 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2hfn h PRO 36 Cb -0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 2hfn h PRO 36 CO -0.04 0.06 -0.04 0.00 -0.21 0.00 0.00 178.00 177.76 2hfn h ALA 37 N 1.31 1.79 -0.18 -0.75 0.00 -1.82 -1.73 119.26 117.89 2hfn h ALA 37 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2hfn h ALA 37 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2hfn h ALA 37 CO -0.29 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.10 2hfn n ASN 38 N -4.29 2.14 -1.41 0.00 3.02 -0.81 -4.95 115.26 108.94 2hfn n ASN 38 Ca -0.03 -1.76 -0.15 0.00 -0.03 0.00 0.00 54.58 52.61 2hfn n ASN 38 Cb 0.13 -0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.24 0.80 3.79 7.41 0.00 -0.51 -4.77 105.19 113.14 2hfn n GLY 39 Ca 0.17 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.65 4.94 0.23 -0.61 -1.09 -0.25 -4.46 121.20 117.30 2hfn s ILE 40 Ca 0.00 1.08 0.04 0.00 -2.23 0.00 0.00 60.65 59.54 2hfn s ILE 40 Cb 0.00 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 2hfn s ILE 40 CO 0.00 0.48 -0.04 0.42 -1.23 0.00 0.00 174.94 174.57 2hfn s THR 41 N -0.52 1.20 -5.00 2.92 -4.23 -0.64 -4.41 115.64 104.97 2hfn s THR 41 Ca 0.28 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2hfn s THR 41 Cb -0.18 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.39 2hfn s THR 41 CO 0.15 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2hfn n GLY 42 N -0.41 -0.34 3.37 3.99 0.00 -0.82 -0.77 105.19 110.22 2hfn n GLY 42 Ca -0.06 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 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 0.06 -0.09 0.99 2.96 -0.95 -3.41 118.68 118.24 2hfn s LEU 43 Ca 0.00 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 54.93 2hfn s LEU 43 Cb 0.00 1.64 -0.01 0.00 0.50 0.00 0.00 46.19 48.32 2hfn s LEU 43 CO 0.00 -0.18 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.44 2hfn s LEU 44 N 0.51 2.40 -0.07 -0.68 2.96 0.56 -1.66 118.68 122.71 2hfn s LEU 44 Ca -0.02 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2hfn s LEU 44 Cb -0.04 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2hfn s LEU 44 CO -0.03 0.22 -0.22 0.00 -1.32 0.00 0.00 176.35 175.00 2hfn s TYR 46 N -0.14 3.07 -0.55 0.00 5.04 0.33 -1.43 117.35 123.68 2hfn s TYR 46 Ca -0.03 -1.77 0.04 0.00 -2.44 0.00 0.00 57.07 52.87 2hfn s TYR 46 Cb -0.14 -2.01 0.14 0.00 0.35 0.00 0.00 41.96 40.30 2hfn s TYR 46 CO 0.04 -0.78 0.30 0.45 -1.34 0.00 0.00 175.55 174.22 2hfn s SER 47 N 1.26 4.31 -0.18 4.32 0.15 0.25 -0.81 113.70 123.00 2hfn s SER 47 Ca -0.01 -3.14 -0.35 0.00 0.70 0.00 0.00 55.95 53.15 2hfn s SER 47 Cb -0.17 -1.56 -0.16 0.00 -1.71 0.00 0.00 66.02 62.42 2hfn s SER 47 CO -0.06 -0.21 1.06 1.17 1.20 0.00 0.00 173.24 176.40 2hfn n LYS 48 N 2.93 0.00 -0.13 5.44 3.00 -1.26 -0.74 118.16 127.40 2hfn n LYS 48 Ca 0.08 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.50 2hfn n LYS 48 Cb 0.33 -1.22 0.30 0.00 0.00 0.00 0.00 35.03 34.44 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 2.10 1.98 -3.44 1.64 -0.04 -1.26 -5.03 135.00 130.95 2hfn n PRO 49 Ca 0.20 -1.49 -0.36 0.00 -0.04 0.00 0.00 63.50 61.82 2hfn n PRO 49 Cb 0.02 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.67 3.64 -0.00 0.55 0.00 0.08 0.15 121.76 124.52 2hfn s ALA 50 Ca 0.34 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2hfn s ALA 50 Cb 0.19 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 2hfn s ALA 50 CO 0.27 0.49 0.04 -0.06 0.00 0.00 0.00 175.76 176.50 2hfn s PHE 51 N -1.35 3.18 -0.06 0.00 0.40 -0.47 -0.58 117.98 119.10 2hfn s PHE 51 Ca 0.33 0.14 -0.00 0.00 -0.60 0.00 0.00 56.93 56.80 2hfn s PHE 51 Cb -0.15 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.70 2hfn s PHE 51 CO 0.18 0.51 -0.03 -1.17 0.70 0.00 0.00 175.22 175.41 2hfn s LEU 52 N -1.66 1.00 0.01 -0.37 2.96 -0.51 -1.85 118.68 118.27 2hfn s LEU 52 Ca 0.21 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 2hfn s LEU 52 Cb -0.12 -0.46 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 2hfn s LEU 52 CO 0.12 -0.12 -0.09 -1.58 -1.32 0.00 0.00 176.35 173.37 2hfn s GLN 53 N 1.41 0.64 -0.08 1.98 0.74 -0.61 -0.67 119.66 123.07 2hfn s GLN 53 Ca -0.03 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 54.93 2hfn s GLN 53 Cb -0.13 -0.57 -0.02 0.00 1.10 0.00 0.00 33.01 33.38 2hfn s GLN 53 CO -0.03 0.15 -0.13 0.54 -0.55 0.00 0.00 175.29 175.27 2hfn s VAL 54 N -0.58 3.15 -0.03 1.34 0.11 -0.66 -1.67 120.40 122.06 2hfn s VAL 54 Ca -0.00 -0.66 0.06 0.00 -2.93 0.00 0.00 61.98 58.44 2hfn s VAL 54 Cb -0.05 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.51 2hfn s VAL 54 CO 0.00 0.57 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.37 2hfn s LEU 55 N -0.32 2.01 0.06 2.54 1.43 0.64 -2.24 118.68 122.80 2hfn s LEU 55 Ca 0.03 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 2hfn s LEU 55 Cb -0.13 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 2hfn s LEU 55 CO 0.02 0.23 -0.18 -1.61 0.23 0.00 0.00 176.35 175.04 2hfn s GLU 56 N -0.28 1.10 0.00 1.70 2.02 0.05 -0.96 118.70 122.33 2hfn s GLU 56 Ca 0.02 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.06 2hfn s GLU 56 Cb -0.10 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.92 2hfn s GLU 56 CO 0.01 0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.99 2hfn n GLY 57 N 1.56 -0.93 3.77 -1.39 0.00 -0.84 -1.62 105.19 105.74 2hfn n GLY 57 Ca -0.19 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.00 3.75 0.20 1.61 2.12 -1.26 -0.14 118.70 122.98 2hfn s GLU 58 Ca 0.00 1.98 -0.17 0.00 0.36 0.00 0.00 54.97 57.14 2hfn s GLU 58 Cb 0.00 -2.52 0.20 0.00 0.26 0.00 0.00 34.13 32.07 2hfn s GLU 58 CO 0.00 -0.62 1.60 0.00 -0.54 0.00 0.00 175.26 175.70 2hfn h GLU 60 N -0.08 1.15 -0.22 0.00 4.81 -1.91 -1.18 114.58 117.15 2hfn h GLU 60 Ca 0.28 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 2hfn h GLU 60 Cb 0.53 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2hfn h GLU 60 CO -0.70 0.77 -0.55 1.96 -0.73 0.00 0.00 179.01 179.76 2hfn h GLN 61 N 1.19 0.76 -0.47 1.92 7.50 -1.57 -0.37 115.11 124.08 2hfn h GLN 61 Ca 0.32 -0.53 -0.00 0.00 0.50 0.00 0.00 58.65 58.94 2hfn h GLN 61 Cb -0.13 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.46 2hfn h GLN 61 CO -0.07 1.15 0.28 0.28 -1.50 0.00 0.00 178.83 178.97 2hfn h VAL 62 N 0.50 1.14 -0.35 -0.54 2.07 -0.68 -0.71 116.25 117.67 2hfn h VAL 62 Ca -0.01 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 2hfn h VAL 62 Cb 1.17 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2hfn h VAL 62 CO 0.12 0.14 0.07 0.78 0.02 0.00 0.00 177.57 178.71 2hfn h ASN 63 N 0.62 0.55 -0.55 0.57 4.21 -1.21 0.28 115.58 120.05 2hfn h ASN 63 Ca 0.17 -0.24 0.02 0.00 1.21 0.00 0.00 56.30 57.45 2hfn h ASN 63 Cb -0.01 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.01 2hfn h ASN 63 CO -0.03 0.65 0.35 -0.08 -1.29 0.00 0.00 177.43 177.03 2hfn h GLU 64 N 0.42 0.68 0.07 0.81 4.22 -0.81 -1.02 114.58 118.95 2hfn h GLU 64 Ca 0.11 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 2hfn h GLU 64 Cb 0.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2hfn h GLU 64 CO 0.00 0.45 -0.03 1.15 -2.18 0.00 0.00 179.01 178.40 2hfn h THR 65 N 0.70 1.13 -0.22 0.32 2.02 -1.01 -1.83 112.91 114.02 2hfn h THR 65 Ca 0.21 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.75 2hfn h THR 65 Cb -0.02 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2hfn h THR 65 CO -0.07 0.17 -0.07 0.22 0.37 0.00 0.00 175.52 176.14 2hfn h TYR 66 N -0.40 -0.15 0.00 3.16 5.03 -0.78 -0.98 116.97 122.85 2hfn h TYR 66 Ca -0.01 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.24 2hfn h TYR 66 Cb 0.35 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 2hfn h TYR 66 CO 0.03 -0.11 -0.39 0.45 -1.32 0.00 0.00 178.16 176.81 2hfn h HIS 67 N -0.02 0.00 -0.10 -3.82 3.86 -1.15 -0.22 115.15 113.70 2hfn h HIS 67 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2hfn h HIS 67 Cb 0.19 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2hfn h HIS 67 CO -0.24 0.39 0.03 -0.09 0.86 0.00 0.00 177.93 178.88 2hfn h ARG 68 N 0.00 0.16 -0.76 2.45 2.43 -0.92 -3.22 114.38 114.52 2hfn h ARG 68 Ca -0.00 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2hfn h ARG 68 Cb 0.83 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 2hfn h ARG 68 CO 0.05 0.34 0.44 0.82 -1.51 0.00 0.00 179.97 180.11 2hfn h ILE 69 N -0.04 0.99 -0.11 1.20 2.04 -0.49 -1.41 117.51 119.69 2hfn h ILE 69 Ca 0.03 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2hfn h ILE 69 Cb 0.25 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2hfn h ILE 69 CO 0.00 0.15 0.09 -0.37 0.00 0.00 0.00 178.15 178.02 2hfn h VAL 70 N 0.81 0.79 0.00 1.67 -1.51 -1.08 -1.39 116.25 115.54 2hfn h VAL 70 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 2hfn h VAL 70 Cb 0.20 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2hfn h VAL 70 CO -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.15 2hfn n GLN 71 N -4.27 0.29 -2.29 5.19 1.13 -0.53 -4.84 117.38 112.05 2hfn n GLN 71 Ca -0.00 0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 54.71 2hfn n GLN 71 Cb 0.20 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 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 -2.60 6.91 0.00 1.08 3.68 -0.53 -4.92 116.67 120.30 2hfn s ASP 72 Ca 0.20 2.01 0.10 0.00 2.13 0.00 0.00 52.55 56.99 2hfn s ASP 72 Cb 0.15 -2.56 0.45 0.00 -1.45 0.00 0.00 42.92 39.51 2hfn s ASP 72 CO 0.34 -0.69 1.26 -0.62 0.13 0.00 0.00 175.17 175.60 2hfn n GLU 73 N 5.40 0.06 0.00 4.34 1.02 -1.26 -2.85 120.64 127.35 2hfn n GLU 73 Ca 0.13 0.28 0.14 0.00 -0.02 0.00 0.00 57.16 57.68 2hfn n GLU 73 Cb 0.44 -1.50 0.54 0.00 -0.02 0.00 0.00 31.44 30.91 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 -1.41 0.73 -3.92 3.49 1.74 -1.26 -4.85 116.66 111.18 2hfn n ARG 74 Ca 0.03 -0.31 -0.10 0.00 -0.77 0.00 0.00 57.85 56.71 2hfn n ARG 74 Cb 0.10 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.48 0.30 0.29 -1.55 -3.43 -1.13 -1.68 115.29 105.61 2hfn s HIS 75 Ca 0.28 -0.66 -0.01 0.00 -0.80 0.00 0.00 55.06 53.87 2hfn s HIS 75 Cb 0.20 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 31.37 2hfn s HIS 75 CO 0.49 -0.77 0.33 -3.38 -2.00 0.00 0.00 174.74 169.40 2hfn s HIS 76 N -3.95 1.19 -1.27 0.38 -3.43 0.31 -4.83 115.29 103.69 2hfn s HIS 76 Ca 0.16 -1.34 -0.05 0.00 -0.80 0.00 0.00 55.06 53.03 2hfn s HIS 76 Cb 0.02 -0.35 -0.01 0.00 -1.43 0.00 0.00 32.58 30.82 2hfn s HIS 76 CO 0.00 -0.92 0.68 0.43 -2.00 0.00 0.00 174.74 172.94 2hfn n SER 77 N -1.02 -2.26 -4.77 7.38 7.64 -1.26 -1.21 113.62 118.12 2hfn n SER 77 Ca 0.03 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.62 2hfn n SER 77 Cb 0.63 -3.81 -0.01 0.00 -1.01 0.00 0.00 64.21 60.01 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 4.04 -0.25 1.43 0.04 -1.26 -4.49 135.00 128.54 2hfn s PRO 78 Ca 0.13 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.44 2hfn s PRO 78 Cb -0.04 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.73 2hfn s PRO 78 CO 0.83 -0.47 -0.03 -0.65 0.04 0.00 0.00 177.00 176.72 2hfn s GLN 79 N -2.15 1.55 0.01 4.56 -1.52 0.13 -4.98 119.66 117.26 2hfn s GLN 79 Ca 0.55 -1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 52.55 2hfn s GLN 79 Cb -0.40 -2.62 -0.07 0.00 -0.22 0.00 0.00 33.01 29.70 2hfn s GLN 79 CO 0.52 -0.67 1.59 0.42 -0.25 0.00 0.00 175.29 176.90 2hfn s ILE 80 N 1.35 3.41 -0.14 1.08 1.01 -1.26 -1.02 121.20 125.62 2hfn s ILE 80 Ca -0.03 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.28 2hfn s ILE 80 Cb -0.19 -3.47 -0.25 0.00 0.01 0.00 0.00 42.46 38.57 2hfn s ILE 80 CO -0.08 -0.02 0.30 -0.38 0.00 0.00 0.00 174.94 174.76 2hfn n ILE 81 N 4.97 1.75 -3.65 2.92 5.41 0.55 -4.96 119.36 126.36 2hfn n ILE 81 Ca 0.16 -0.62 -0.14 0.00 1.00 0.00 0.00 62.75 63.15 2hfn n ILE 81 Cb 0.42 -1.73 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 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 -2.55 0.77 -0.08 0.38 2.12 -0.94 -4.71 118.70 113.69 2hfn s GLU 82 Ca -0.24 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 55.90 2hfn s GLU 82 Cb 0.07 0.37 0.05 0.00 0.26 0.00 0.00 34.13 34.88 2hfn s GLU 82 CO 0.74 -0.10 0.16 0.00 -0.54 0.00 0.00 175.26 175.52 2hfn s MET 84 N 1.92 1.16 0.60 0.00 0.23 -0.54 -5.01 119.30 117.67 2hfn s MET 84 Ca -0.01 -0.43 -0.18 0.00 -1.03 0.00 0.00 55.69 54.04 2hfn s MET 84 Cb -0.12 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 2hfn s MET 84 CO -0.06 -0.51 1.18 -2.14 -2.03 0.00 0.00 175.02 171.46 2hfn s PRO 85 N -3.59 2.96 0.14 3.16 0.02 -1.26 -1.37 135.00 135.07 2hfn s PRO 85 Ca 0.02 1.73 0.06 0.00 0.02 0.00 0.00 61.00 62.83 2hfn s PRO 85 Cb -0.01 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 2hfn s PRO 85 CO -0.12 -1.19 -0.14 0.96 -0.33 0.00 0.00 177.00 176.19 2hfn s ILE 86 N -1.74 1.40 0.10 2.83 -4.36 -0.42 -4.83 121.20 114.19 2hfn s ILE 86 Ca 0.75 -1.88 -0.12 0.00 -0.26 0.00 0.00 60.65 59.14 2hfn s ILE 86 Cb -0.28 -1.70 -0.17 0.00 1.25 0.00 0.00 42.46 41.56 2hfn s ILE 86 CO 0.34 -0.51 1.29 0.03 0.24 0.00 0.00 174.94 176.33 2hfn h ARG 87 N 3.19 0.74 -2.84 0.37 2.47 -1.96 -3.44 114.38 112.91 2hfn h ARG 87 Ca -0.39 -0.65 0.01 0.00 -1.26 0.00 0.00 59.98 57.69 2hfn h ARG 87 Cb 1.20 0.15 -0.13 0.00 -1.65 0.00 0.00 29.97 29.54 2hfn h ARG 87 CO 0.55 1.25 0.27 -0.98 0.56 0.00 0.00 179.97 181.62 2hfn s ARG 88 N -3.64 1.19 0.63 0.04 1.70 -1.26 -5.10 118.95 112.52 2hfn s ARG 88 Ca -0.10 -0.45 -0.11 0.00 -0.47 0.00 0.00 55.73 54.60 2hfn s ARG 88 Cb 0.08 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.98 2hfn s ARG 88 CO 0.90 -0.52 1.04 1.03 -1.08 0.00 0.00 175.30 176.67 2hfn s ARG 89 N -3.62 3.42 -0.00 3.89 0.52 -1.26 -4.99 118.95 116.91 2hfn s ARG 89 Ca 0.02 0.84 0.02 0.00 -0.52 0.00 0.00 55.73 56.09 2hfn s ARG 89 Cb -0.01 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 2hfn s ARG 89 CO -0.12 -0.72 0.06 0.09 0.02 0.00 0.00 175.30 174.64 2hfn n ASN 90 N -2.76 3.16 -1.00 0.23 4.13 -1.26 -4.77 115.26 112.99 2hfn n ASN 90 Ca 0.07 -0.17 -0.00 0.00 1.68 0.00 0.00 54.58 56.16 2hfn n ASN 90 Cb 0.54 1.07 0.21 0.00 -1.54 0.00 0.00 39.78 40.05 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 -1.41 0.91 0.27 3.10 3.01 -1.26 -4.81 117.46 117.27 2hfn n PHE 91 Ca -0.00 -1.42 0.09 0.00 1.01 0.00 0.00 57.45 57.14 2hfn n PHE 91 Cb 0.05 -0.42 0.43 0.00 -0.01 0.00 0.00 39.48 39.53 2hfn n PHE 91 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2hfn n GLU 92 N -1.03 0.12 0.03 -1.08 0.00 -1.26 -1.99 120.64 115.43 2hfn n GLU 92 Ca 0.29 0.49 0.13 0.00 0.00 0.00 0.00 57.16 58.06 2hfn n GLU 92 Cb 0.96 -1.80 0.38 0.00 0.00 0.00 0.00 31.44 30.98 2hfn n GLU 92 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2hfn n VAL 93 N -2.05 0.16 -4.03 3.84 0.24 -1.26 -4.79 118.33 110.44 2hfn n VAL 93 Ca 0.01 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.34 61.91 2hfn n VAL 93 Cb 0.12 -0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.13 2hfn n VAL 93 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2hfn s TRP 94 N -3.05 2.10 0.18 6.34 0.51 -0.84 -4.98 118.94 119.20 2hfn s TRP 94 Ca 0.11 -1.16 -0.13 0.00 -2.12 0.00 0.00 56.10 52.80 2hfn s TRP 94 Cb 0.16 -1.56 0.16 0.00 -0.81 0.00 0.00 33.47 31.43 2hfn s TRP 94 CO 0.63 -0.65 1.75 0.66 -0.51 0.00 0.00 176.95 178.84 2hfn h SER 95 N 8.03 0.20 -4.13 2.95 4.64 -1.85 -2.17 113.55 121.22 2hfn h SER 95 Ca -0.37 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2hfn h SER 95 Cb 1.14 0.03 -0.22 0.00 -0.31 0.00 0.00 62.40 63.04 2hfn h SER 95 CO 0.52 0.14 0.32 -0.32 -0.87 0.00 0.00 176.83 176.62 2hfn s MET 96 N -6.13 0.77 0.16 4.77 -2.45 -1.26 -3.66 119.30 111.49 2hfn s MET 96 Ca -0.13 0.50 0.06 0.00 -1.25 0.00 0.00 55.69 54.88 2hfn s MET 96 Cb 0.14 0.37 -0.04 0.00 1.25 0.00 0.00 34.83 36.55 2hfn s MET 96 CO 0.73 -0.18 -0.14 -0.65 1.05 0.00 0.00 175.02 175.84 2hfn s GLN 97 N -0.44 1.15 -0.07 4.11 -1.52 -1.22 -4.88 119.66 116.79 2hfn s GLN 97 Ca -0.03 -1.42 0.02 0.00 -1.95 0.00 0.00 55.36 51.99 2hfn s GLN 97 Cb -0.03 -0.95 0.01 0.00 -0.22 0.00 0.00 33.01 31.83 2hfn s GLN 97 CO 0.02 0.16 -0.12 0.00 -0.25 0.00 0.00 175.29 175.10 2hfn s ALA 98 N -2.67 1.31 -0.10 6.09 0.00 -1.26 -0.32 121.76 124.82 2hfn s ALA 98 Ca 0.16 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.69 2hfn s ALA 98 Cb -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2hfn s ALA 98 CO 0.04 0.06 -0.22 0.42 0.00 0.00 0.00 175.76 176.06 2hfn s ILE 99 N 0.77 1.90 -0.22 0.00 1.01 0.20 -5.00 121.20 119.86 2hfn s ILE 99 Ca -0.13 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 2hfn s ILE 99 Cb -0.16 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 2hfn s ILE 99 CO 0.03 0.52 0.16 0.42 0.00 0.00 0.00 174.94 176.07 2hfn s THR 100 N 0.45 5.38 -0.14 2.92 -4.23 -1.26 -0.51 115.64 118.24 2hfn s THR 100 Ca -0.17 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2hfn s THR 100 Cb -0.17 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.18 2hfn s THR 100 CO 0.07 0.38 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.63 2hfn s VAL 101 N 0.76 2.02 0.00 2.29 1.01 0.01 -4.92 120.40 121.57 2hfn s VAL 101 Ca 0.08 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2hfn s VAL 101 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2hfn s VAL 101 CO 0.02 0.54 0.00 -0.46 0.00 0.00 0.00 175.10 175.20 2hfn n ASN 102 N 4.17 0.00 -0.04 3.32 2.04 -1.26 -4.02 115.26 119.47 2hfn n ASN 102 Ca -0.20 0.00 0.15 0.00 -0.44 0.00 0.00 54.58 54.09 2hfn n ASN 102 Cb 0.51 0.00 0.78 0.00 -2.53 0.00 0.00 39.78 38.54 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 0.00 0.14 -0.59 0.53 2.03 -1.26 -3.50 116.55 113.91 2hfn n ASP 103 Ca 0.00 -0.54 0.07 0.00 0.52 0.00 0.00 54.79 54.84 2hfn n ASP 103 Cb 0.00 -0.14 0.09 0.00 -0.72 0.00 0.00 41.12 40.34 2hfn n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hfn n LEU 104 N -1.08 2.36 -4.78 -2.67 -0.00 -1.26 -5.00 117.00 104.56 2hfn n LEU 104 Ca 0.17 -1.25 -0.30 0.00 -0.00 0.00 0.00 56.01 54.63 2hfn n LEU 104 Cb 0.21 -0.07 0.10 0.00 -0.00 0.00 0.00 43.42 43.66 2hfn n LEU 104 CO 0.21 0.49 0.70 -0.44 -0.00 0.00 0.00 177.39 178.35 2hfn s SER 105 N -1.08 4.31 0.63 1.45 0.01 -1.23 -5.02 113.70 112.77 2hfn s SER 105 Ca 0.19 1.42 -0.18 0.00 1.31 0.00 0.00 55.95 58.69 2hfn s SER 105 Cb 0.12 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 2hfn s SER 105 CO 0.17 -2.10 1.20 -0.89 0.41 0.00 0.00 173.24 172.03 2hfn s THR 106 N -3.07 2.62 0.33 1.44 2.01 -1.26 -4.77 115.64 112.94 2hfn s THR 106 Ca 0.61 0.36 0.11 0.00 0.31 0.00 0.00 61.69 63.08 2hfn s THR 106 Cb -0.15 -3.06 0.33 0.00 0.01 0.00 0.00 72.50 69.63 2hfn s THR 106 CO 0.55 -0.11 1.65 -0.33 -0.69 0.00 0.00 174.62 175.69 2hfn h GLU 107 N 0.54 0.26 -0.32 4.92 3.07 -1.99 -0.47 114.58 120.60 2hfn h GLU 107 Ca -0.49 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.34 2hfn h GLU 107 Cb 1.29 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2hfn h GLU 107 CO 0.54 0.17 0.16 0.37 -1.40 0.00 0.00 179.01 178.85 2hfn h GLN 108 N 0.27 0.46 -0.33 2.33 4.15 -2.00 -1.60 115.11 118.39 2hfn h GLN 108 Ca 0.69 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 60.01 2hfn h GLN 108 Cb 1.56 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.15 2hfn h GLN 108 CO -0.64 0.42 0.07 0.28 -1.93 0.00 0.00 178.83 177.03 2hfn h VAL 109 N 0.39 1.23 -0.68 2.39 2.07 -1.68 -2.46 116.25 117.51 2hfn h VAL 109 Ca 0.11 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2hfn h VAL 109 Cb 0.10 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2hfn h VAL 109 CO -0.02 0.26 0.43 0.11 0.02 0.00 0.00 177.57 178.38 2hfn h LYS 110 N 0.38 0.90 -0.33 1.57 1.57 -1.00 -1.00 116.57 118.67 2hfn h LYS 110 Ca 0.10 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2hfn h LYS 110 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2hfn h LYS 110 CO 0.00 0.61 -0.23 1.15 -0.57 0.00 0.00 179.45 180.41 2hfn h THR 111 N 0.93 1.27 -0.40 -0.16 2.02 -1.22 -2.29 112.91 113.06 2hfn h THR 111 Ca 0.25 -1.30 -0.06 0.00 0.77 0.00 0.00 66.41 66.06 2hfn h THR 111 Cb -0.08 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2hfn h THR 111 CO -0.05 0.43 0.01 0.25 0.37 0.00 0.00 175.52 176.52 2hfn h LEU 112 N 0.57 0.69 -0.82 2.58 6.46 -0.79 0.19 115.31 124.19 2hfn h LEU 112 Ca 0.08 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2hfn h LEU 112 Cb 0.70 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 2hfn h LEU 112 CO 0.05 0.82 0.53 0.58 -0.62 0.00 0.00 178.44 179.81 2hfn h VAL 113 N 0.53 1.16 -0.48 1.05 2.07 -1.08 -2.71 116.25 116.79 2hfn h VAL 113 Ca 0.11 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2hfn h VAL 113 Cb 0.47 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2hfn h VAL 113 CO 0.02 0.19 -0.14 0.25 0.02 0.00 0.00 177.57 177.92 2hfn h LEU 114 N 1.05 0.91 -1.76 2.57 5.85 -1.10 -2.30 115.31 120.53 2hfn h LEU 114 Ca 0.32 -0.30 0.14 0.00 0.84 0.00 0.00 57.88 58.88 2hfn h LEU 114 Cb -0.04 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2hfn h LEU 114 CO -0.10 1.04 0.44 0.50 -0.34 0.00 0.00 178.44 179.99 2hfn h LYS 115 N 0.81 0.24 0.00 1.25 3.64 -0.63 -3.02 116.57 118.86 2hfn h LYS 115 Ca 0.12 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2hfn h LYS 115 Cb 0.67 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2hfn h LYS 115 CO 0.05 0.16 -0.84 0.66 -2.27 0.00 0.00 179.45 177.20 2hfn n TYR 116 N -4.44 0.00 -3.96 1.91 4.02 -1.09 -5.05 117.16 108.55 2hfn n TYR 116 Ca 0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.90 2hfn n TYR 116 Cb 0.54 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 2hfn n TYR 116 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2hfn n SER 117 N -1.44 -0.89 -0.01 7.72 3.41 -0.88 -4.91 113.62 116.61 2hfn n SER 117 Ca 0.02 -2.37 0.13 0.00 -0.26 0.00 0.00 58.87 56.40 2hfn n SER 117 Cb 0.26 1.70 0.50 0.00 -0.26 0.00 0.00 64.21 66.42 2hfn n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hfn n GLY 118 N -0.41 -1.35 3.31 5.00 0.00 -1.26 -4.65 105.19 105.83 2hfn n GLY 118 Ca 0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 2hfn n GLY 118 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hfn s PHE 119 N -2.93 1.59 -1.99 1.61 0.08 -1.26 -5.05 117.98 110.02 2hfn s PHE 119 Ca 0.15 -1.58 0.27 0.00 0.12 0.00 0.00 56.93 55.89 2hfn s PHE 119 Cb 0.19 -0.60 0.80 0.00 -0.57 0.00 0.00 43.02 42.83 2hfn s PHE 119 CO 0.58 -0.89 1.59 -2.37 -0.10 0.00 0.00 175.22 174.03 2hfn n THR 120 N -0.58 0.00 -4.26 0.64 5.66 -1.26 -3.84 114.28 110.64 2hfn n THR 120 Ca 0.06 -0.17 -0.35 0.00 -3.05 0.00 0.00 64.05 60.53 2hfn n THR 120 Cb 0.63 0.48 -0.09 0.00 -1.55 0.00 0.00 70.33 69.80 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 -2.35 4.56 -0.11 1.09 -4.23 -1.26 -4.80 115.64 108.54 2hfn s THR 121 Ca 0.28 -0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.32 2hfn s THR 121 Cb 0.20 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 2hfn s THR 121 CO 0.47 0.59 1.35 -0.22 -0.54 0.00 0.00 174.62 176.27 2hfn s LEU 122 N -0.97 4.24 -0.45 4.79 2.96 -1.26 -4.95 118.68 123.04 2hfn s LEU 122 Ca 0.14 1.87 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 2hfn s LEU 122 Cb -0.11 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.16 2hfn s LEU 122 CO 0.03 -0.77 0.23 -0.13 -1.32 0.00 0.00 176.35 174.40 2hfn s ARG 123 N 3.30 1.48 0.36 1.98 0.52 -1.26 -4.85 118.95 120.48 2hfn s ARG 123 Ca 0.60 -2.14 0.08 0.00 -0.52 0.00 0.00 55.73 53.75 2hfn s ARG 123 Cb -0.26 -2.67 0.81 0.00 0.52 0.00 0.00 34.95 33.36 2hfn s ARG 123 CO 0.20 -1.13 1.91 -1.35 0.02 0.00 0.00 175.30 174.95 2hfn h PRO 124 N 6.77 0.67 0.00 3.54 0.11 -1.94 -2.11 132.00 139.04 2hfn h PRO 124 Ca -0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2hfn h PRO 124 Cb 0.92 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2hfn h PRO 124 CO 0.55 0.44 0.00 0.43 -0.21 0.00 0.00 178.00 179.22 2hfn n SER 125 N -4.52 0.00 -0.00 -2.05 7.64 -1.26 -0.83 113.62 112.60 2hfn n SER 125 Ca 0.14 0.12 0.03 0.00 1.01 0.00 0.00 58.87 60.18 2hfn n SER 125 Cb 0.38 -0.12 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 2hfn n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hfn n ALA 126 N -1.12 2.34 -2.80 -0.43 0.00 -0.79 -5.02 120.51 112.68 2hfn n ALA 126 Ca 0.00 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2hfn n ALA 126 Cb 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 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 -2.20 3.19 0.80 0.00 -1.94 -0.01 -5.00 119.30 114.13 2hfn s MET 127 Ca -0.01 -0.37 -0.11 0.00 -1.71 0.00 0.00 55.69 53.48 2hfn s MET 127 Cb 0.04 -2.95 0.08 0.00 2.01 0.00 0.00 34.83 34.01 2hfn s MET 127 CO 0.24 0.69 1.16 0.16 -0.01 0.00 0.00 175.02 177.27 2hfn s ASP 128 N -1.47 4.50 0.30 3.03 3.84 -1.26 -4.80 116.67 120.82 2hfn s ASP 128 Ca 0.20 0.73 0.03 0.00 -0.00 0.00 0.00 52.55 53.51 2hfn s ASP 128 Cb -0.12 -1.23 0.60 0.00 -1.38 0.00 0.00 42.92 40.79 2hfn s ASP 128 CO 0.10 -1.89 1.87 -0.65 -0.00 0.00 0.00 175.17 174.60 2hfn h PRO 129 N -1.02 0.92 -0.46 2.11 0.11 -1.98 -1.10 132.00 130.59 2hfn h PRO 129 Ca -0.46 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 2hfn h PRO 129 Cb 1.33 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2hfn h PRO 129 CO 0.65 0.61 -0.19 1.49 -0.21 0.00 0.00 178.00 180.35 2hfn h GLU 130 N 0.95 0.90 -0.18 1.05 4.81 -1.98 -1.38 114.58 118.75 2hfn h GLU 130 Ca 0.45 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2hfn h GLU 130 Cb 0.43 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2hfn h GLU 130 CO -0.21 1.01 0.04 1.96 -0.73 0.00 0.00 179.01 181.08 2hfn h GLN 131 N 0.79 0.30 -0.26 1.92 4.20 -1.76 -2.15 115.11 118.13 2hfn h GLN 131 Ca 0.11 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2hfn h GLN 131 Cb 0.73 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 2hfn h GLN 131 CO 0.06 0.45 -0.13 0.00 -0.67 0.00 0.00 178.83 178.54 2hfn h LEU 133 N -0.09 0.53 -0.81 0.00 5.85 -1.21 -2.01 115.31 117.57 2hfn h LEU 133 Ca 0.14 -0.24 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 2hfn h LEU 133 Cb 0.30 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2hfn h LEU 133 CO -0.33 0.64 -0.58 0.78 -0.34 0.00 0.00 178.44 178.61 2hfn h ASN 134 N 0.40 0.04 0.06 1.25 2.35 -1.25 0.34 115.58 118.77 2hfn h ASN 134 Ca 0.11 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2hfn h ASN 134 Cb 0.32 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2hfn h ASN 134 CO 0.00 0.61 -0.03 0.15 -1.65 0.00 0.00 177.43 176.52 2hfn h PHE 135 N 0.03 -0.07 -0.54 1.19 3.04 -0.90 -0.36 116.94 119.33 2hfn h PHE 135 Ca -0.01 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2hfn h PHE 135 Cb 1.04 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 39.52 2hfn h PHE 135 CO 0.00 0.16 0.23 -0.07 -2.02 0.00 0.00 178.31 176.61 2hfn h LEU 136 N -0.29 0.29 -0.26 0.59 3.38 -1.18 0.17 115.31 118.01 2hfn h LEU 136 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2hfn h LEU 136 Cb 0.26 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2hfn h LEU 136 CO 0.01 0.19 0.16 -0.07 0.09 0.00 0.00 178.44 178.82 2hfn h LEU 137 N 0.45 0.26 -0.40 1.67 3.38 -0.85 -1.39 115.31 118.43 2hfn h LEU 137 Ca 0.25 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 2hfn h LEU 137 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2hfn h LEU 137 CO -0.22 0.19 0.01 0.44 0.09 0.00 0.00 178.44 178.95 2hfn h ASP 138 N 0.32 0.68 -0.13 -0.43 3.32 -0.63 -2.60 116.42 116.95 2hfn h ASP 138 Ca 0.10 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 2hfn h ASP 138 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2hfn h ASP 138 CO -0.04 0.82 -0.28 -0.29 -1.72 0.00 0.00 179.24 177.73 2hfn h ILE 139 N 0.52 1.28 -0.76 0.35 2.10 -0.60 -2.61 117.51 117.79 2hfn h ILE 139 Ca 0.11 -1.36 0.01 0.00 1.08 0.00 0.00 64.86 64.71 2hfn h ILE 139 Cb 0.46 1.35 -0.04 0.00 -1.09 0.00 0.00 36.82 37.50 2hfn h ILE 139 CO 0.02 0.44 0.50 0.00 -1.08 0.00 0.00 178.15 178.03 2hfn h ALA 140 N 1.18 1.48 -0.32 0.18 0.00 -1.19 -2.75 119.26 117.84 2hfn h ALA 140 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2hfn h ALA 140 Cb 0.74 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2hfn h ALA 140 CO 0.06 0.47 -0.19 -0.22 0.00 0.00 0.00 179.25 179.37 2hfn h LYS 141 N 1.01 0.59 0.02 0.00 3.64 -1.08 -3.21 116.57 117.54 2hfn h LYS 141 Ca 0.29 -0.21 -0.25 0.00 -1.27 0.00 0.00 60.65 59.21 2hfn h LYS 141 Cb -0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2hfn h LYS 141 CO -0.07 0.75 -1.31 -0.84 -2.27 0.00 0.00 179.45 175.71 2hfn h ILE 142 N 0.53 1.35 0.00 2.00 3.07 -1.37 -3.52 117.51 119.57 2hfn h ILE 142 Ca 0.08 -3.10 0.00 0.00 1.55 0.00 0.00 64.86 63.40 2hfn h ILE 142 Cb 0.62 2.70 0.00 0.00 -0.27 0.00 0.00 36.82 39.87 2hfn h ILE 142 CO 0.04 0.79 0.00 -1.22 -1.05 0.00 0.00 178.15 176.72