#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfp n GLY 2 N 0.00 0.78 3.77 2.92 0.00 0.42 -5.03 105.19 108.04 1hfp n GLY 2 Ca 0.00 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 1hfp n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hfp s SER 3 N -1.00 6.79 -0.18 1.61 0.01 -1.25 -4.83 113.70 114.85 1hfp s SER 3 Ca 0.00 2.31 -0.02 0.00 1.31 0.00 0.00 55.95 59.55 1hfp s SER 3 Cb 0.00 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1hfp s SER 3 CO 0.00 -0.49 -0.07 -0.22 0.41 0.00 0.00 173.24 172.87 1hfp s LEU 4 N -2.16 2.89 0.01 2.44 2.96 -1.26 -0.31 118.68 123.25 1hfp s LEU 4 Ca 0.53 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1hfp s LEU 4 Cb -0.31 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1hfp s LEU 4 CO 0.39 0.08 -0.01 0.20 -1.32 0.00 0.00 176.35 175.69 1hfp s ASN 5 N 0.89 0.15 0.03 3.68 0.01 -0.21 -3.18 114.94 116.31 1hfp s ASN 5 Ca -0.02 -0.32 0.04 0.00 -0.71 0.00 0.00 52.86 51.86 1hfp s ASN 5 Cb -0.15 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 1hfp s ASN 5 CO 0.01 -0.21 -0.06 0.00 -1.51 0.00 0.00 177.10 175.32 1hfp s ILE 7 N -1.08 0.08 0.01 0.00 2.07 -0.84 -1.24 121.20 120.20 1hfp s ILE 7 Ca 0.19 0.08 -0.28 0.00 -1.41 0.00 0.00 60.65 59.23 1hfp s ILE 7 Cb -0.11 -0.15 0.07 0.00 0.13 0.00 0.00 42.46 42.39 1hfp s ILE 7 CO 0.10 0.09 0.64 0.54 -1.91 0.00 0.00 174.94 174.40 1hfp s VAL 8 N 0.69 0.00 -0.17 4.00 0.11 -0.99 -4.55 120.40 119.50 1hfp s VAL 8 Ca -0.06 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1hfp s VAL 8 Cb -0.09 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1hfp s VAL 8 CO -0.02 -0.02 -0.17 0.00 -3.33 0.00 0.00 175.10 171.57 1hfp s ALA 9 N -1.89 2.44 0.07 1.54 0.00 -1.26 -1.08 121.76 121.57 1hfp s ALA 9 Ca -0.08 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.81 1hfp s ALA 9 Cb -0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 1hfp s ALA 9 CO 0.04 -0.20 -0.16 0.54 0.00 0.00 0.00 175.76 175.97 1hfp s VAL 10 N 1.08 1.31 0.72 0.00 0.11 -0.57 -4.65 120.40 118.39 1hfp s VAL 10 Ca -0.00 -1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 57.76 1hfp s VAL 10 Cb -0.14 -1.21 0.11 0.00 -1.53 0.00 0.00 36.38 33.61 1hfp s VAL 10 CO -0.05 -0.07 0.99 -0.94 -3.33 0.00 0.00 175.10 171.70 1hfp s SER 11 N -1.54 4.42 0.40 3.54 1.04 -0.66 -0.24 113.70 120.66 1hfp s SER 11 Ca 0.02 -0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.36 1hfp s SER 11 Cb -0.09 -0.28 0.87 0.00 0.10 0.00 0.00 66.02 66.62 1hfp s SER 11 CO 0.02 -1.81 2.02 -0.61 0.98 0.00 0.00 173.24 173.84 1hfp h GLN 12 N -0.55 0.55 -0.55 4.02 4.15 -0.11 -1.72 115.11 120.90 1hfp h GLN 12 Ca -0.39 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1hfp h GLN 12 Cb 1.27 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1hfp h GLN 12 CO 0.44 0.37 0.00 0.27 -1.93 0.00 0.00 178.83 177.97 1hfp n ASN 13 N -4.47 1.87 -0.88 -0.69 6.94 -1.26 -4.91 115.26 111.85 1hfp n ASN 13 Ca 0.06 -2.15 -0.12 0.00 -0.02 0.00 0.00 54.58 52.36 1hfp n ASN 13 Cb 0.17 -0.36 -0.05 0.00 -2.36 0.00 0.00 39.78 37.18 1hfp n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1hfp n MET 14 N 0.19 -0.80 -2.95 -3.83 2.81 -0.64 -4.98 117.12 106.90 1hfp n MET 14 Ca 0.08 0.91 -0.40 0.00 -1.81 0.00 0.00 57.70 56.48 1hfp n MET 14 Cb 0.37 -4.89 -0.05 0.00 -0.71 0.00 0.00 33.22 27.94 1hfp n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1hfp s GLY 15 N -2.88 2.86 -0.02 3.03 0.00 -1.26 -0.72 107.32 108.33 1hfp s GLY 15 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 44.72 45.11 1hfp s GLY 15 CO 0.00 1.06 0.09 0.29 0.00 0.00 0.00 173.10 174.54 1hfp n ILE 16 N 2.42 0.12 -3.48 0.90 -5.35 -0.24 -1.65 119.36 112.08 1hfp n ILE 16 Ca -0.03 -0.16 -0.11 0.00 -0.27 0.00 0.00 62.75 62.18 1hfp n ILE 16 Cb 0.50 -0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.32 1hfp n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1hfp s GLY 17 N -2.99 -0.54 -0.06 3.28 0.00 -1.18 -4.45 107.32 101.38 1hfp s GLY 17 Ca -0.02 0.46 -0.03 0.00 0.00 0.00 0.00 44.72 45.14 1hfp s GLY 17 CO 0.23 0.15 0.12 1.25 0.00 0.00 0.00 173.10 174.85 1hfp s LYS 18 N -3.68 0.02 -1.46 2.90 2.20 0.13 -1.56 119.74 118.28 1hfp s LYS 18 Ca 0.03 0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 56.03 1hfp s LYS 18 Cb -0.02 -0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.05 1hfp s LYS 18 CO -0.10 -0.26 0.54 0.09 -0.36 0.00 0.00 175.35 175.26 1hfp n ASN 19 N 4.90 -1.19 0.00 1.43 3.02 -1.26 -1.54 115.26 120.63 1hfp n ASN 19 Ca -0.13 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1hfp n ASN 19 Cb 0.50 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 1hfp n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hfp n GLY 20 N -1.84 0.37 2.34 7.41 0.00 -1.26 -4.98 105.19 107.23 1hfp n GLY 20 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 1hfp n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hfp n ASP 21 N -0.31 0.30 -4.77 1.61 -0.08 -0.59 -4.59 116.55 108.13 1hfp n ASP 21 Ca 0.00 -2.56 -0.38 0.00 -1.51 0.00 0.00 54.79 50.34 1hfp n ASP 21 Cb 0.15 0.97 -0.04 0.00 2.34 0.00 0.00 41.12 44.55 1hfp n ASP 21 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1hfp s LEU 22 N 0.00 4.33 0.18 -2.67 2.01 -1.26 0.18 118.68 121.45 1hfp s LEU 22 Ca 0.22 2.17 0.23 0.00 0.01 0.00 0.00 54.13 56.75 1hfp s LEU 22 Cb 0.01 -3.91 0.90 0.00 0.01 0.00 0.00 46.19 43.19 1hfp s LEU 22 CO 0.15 -0.35 1.70 -2.65 1.01 0.00 0.00 176.35 176.21 1hfp n PRO 23 N 0.52 0.16 -4.49 1.29 -0.02 -1.26 -4.56 135.00 126.63 1hfp n PRO 23 Ca 0.02 0.32 -0.25 0.00 -2.02 0.00 0.00 63.50 61.57 1hfp n PRO 23 Cb 0.47 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 1hfp n PRO 23 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1hfp s TRP 24 N -3.19 2.39 0.79 6.00 -2.14 -1.26 -4.79 118.94 116.75 1hfp s TRP 24 Ca 0.07 -0.43 -0.13 0.00 2.66 0.00 0.00 56.10 58.26 1hfp s TRP 24 Cb 0.11 -1.26 0.08 0.00 -3.10 0.00 0.00 33.47 29.29 1hfp s TRP 24 CO 0.42 0.62 1.20 -1.25 -2.66 0.00 0.00 176.95 175.28 1hfp s PRO 25 N -3.59 1.73 0.19 3.25 0.04 -1.26 -4.87 135.00 130.49 1hfp s PRO 25 Ca 0.32 1.72 -0.33 0.00 0.04 0.00 0.00 61.00 62.75 1hfp s PRO 25 Cb -0.00 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.61 1hfp s PRO 25 CO 0.16 -2.13 1.59 -2.30 0.04 0.00 0.00 177.00 174.36 1hfp n PRO 26 N -3.23 2.32 -3.89 0.56 -0.02 -1.26 -4.98 135.00 124.50 1hfp n PRO 26 Ca 0.13 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 62.10 1hfp n PRO 26 Cb 0.51 -2.60 -0.13 0.00 -0.02 0.00 0.00 33.50 31.25 1hfp n PRO 26 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hfp s LEU 27 N 0.73 4.66 0.38 2.45 1.43 -1.26 -4.98 118.68 122.08 1hfp s LEU 27 Ca 0.75 -1.82 0.10 0.00 -1.03 0.00 0.00 54.13 52.14 1hfp s LEU 27 Cb -0.62 -1.73 0.74 0.00 0.03 0.00 0.00 46.19 44.61 1hfp s LEU 27 CO 0.39 -0.40 1.87 -0.09 0.23 0.00 0.00 176.35 178.34 1hfp h ARG 28 N 7.91 0.14 0.00 1.70 2.43 -2.00 -2.53 114.38 122.04 1hfp h ARG 28 Ca -0.13 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 1hfp h ARG 28 Cb 1.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1hfp h ARG 28 CO 0.59 0.39 -0.66 -0.91 -1.51 0.00 0.00 179.97 177.88 1hfp h ASN 29 N 0.13 0.00 -0.40 -3.80 2.35 -1.98 -1.11 115.58 110.77 1hfp h ASN 29 Ca 0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1hfp h ASN 29 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1hfp h ASN 29 CO 0.04 0.36 -0.20 -0.08 -1.65 0.00 0.00 177.43 175.89 1hfp h GLU 30 N 0.00 0.90 -0.69 0.81 4.22 -1.94 -2.01 114.58 115.86 1hfp h GLU 30 Ca -0.04 -0.36 -0.07 0.00 0.08 0.00 0.00 59.36 58.97 1hfp h GLU 30 Cb 1.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1hfp h GLU 30 CO 0.04 1.01 0.17 0.78 -2.18 0.00 0.00 179.01 178.83 1hfp h GLY 31 N 0.93 1.19 1.33 1.92 0.00 -1.29 -0.67 103.07 106.48 1hfp h GLY 31 Ca 0.11 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1hfp h GLY 31 CO 0.06 0.69 -0.22 3.21 0.00 0.00 0.00 176.54 180.28 1hfp h ARG 32 N 1.05 0.77 -0.07 4.80 3.08 -1.09 -1.09 114.38 121.82 1hfp h ARG 32 Ca 0.22 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1hfp h ARG 32 Cb 0.37 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1hfp h ARG 32 CO 0.00 0.92 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.88 1hfp h TYR 33 N 0.67 0.16 -0.53 3.04 3.20 -1.10 -1.15 116.97 121.26 1hfp h TYR 33 Ca 0.09 -0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.03 1hfp h TYR 33 Cb 0.73 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.87 1hfp h TYR 33 CO 0.04 0.48 -0.05 0.35 -1.64 0.00 0.00 178.16 177.34 1hfp h PHE 34 N -0.20 -0.12 -0.05 -3.82 3.57 -0.92 -1.03 116.94 114.37 1hfp h PHE 34 Ca 0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1hfp h PHE 34 Cb 0.43 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1hfp h PHE 34 CO 0.06 -0.17 0.02 0.37 -2.23 0.00 0.00 178.31 176.36 1hfp h GLN 35 N 0.07 0.07 -0.25 1.11 4.15 -1.12 -2.03 115.11 117.10 1hfp h GLN 35 Ca 0.27 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1hfp h GLN 35 Cb 0.42 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1hfp h GLN 35 CO -0.49 0.16 0.16 -0.09 -1.93 0.00 0.00 178.83 176.64 1hfp h ARG 36 N -0.04 0.33 -0.01 1.69 2.43 -0.91 -1.90 114.38 115.97 1hfp h ARG 36 Ca 0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1hfp h ARG 36 Cb 0.11 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1hfp h ARG 36 CO -0.00 0.22 0.00 0.52 -1.51 0.00 0.00 179.97 179.19 1hfp h MET 37 N 0.34 0.02 -0.08 0.20 2.86 -1.15 -2.24 114.93 114.89 1hfp h MET 37 Ca 0.09 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 1hfp h MET 37 Cb -0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1hfp h MET 37 CO -0.02 0.29 -0.53 1.79 1.06 0.00 0.00 176.91 179.50 1hfp h THR 38 N -0.25 1.36 0.07 2.22 1.35 -1.42 -3.33 112.91 112.91 1hfp h THR 38 Ca 0.00 -1.82 -0.16 0.00 -0.55 0.00 0.00 66.41 63.88 1hfp h THR 38 Cb 0.28 1.90 0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1hfp h THR 38 CO 0.00 0.54 -0.67 0.74 -0.25 0.00 0.00 175.52 175.87 1hfp h THR 39 N 0.17 1.48 -2.47 6.82 2.02 -1.37 -3.42 112.91 116.15 1hfp h THR 39 Ca 0.00 -2.30 -0.54 0.00 0.77 0.00 0.00 66.41 64.34 1hfp h THR 39 Cb 1.00 2.92 0.01 0.00 -1.74 0.00 0.00 68.15 70.33 1hfp h THR 39 CO 0.08 0.66 1.18 -0.89 0.37 0.00 0.00 175.52 176.92 1hfp s THR 40 N -2.81 3.27 -0.13 3.16 2.01 -0.84 -4.58 115.64 115.72 1hfp s THR 40 Ca -0.14 0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.06 1hfp s THR 40 Cb 0.02 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1hfp s THR 40 CO 0.82 -0.04 0.29 -0.55 -0.69 0.00 0.00 174.62 174.45 1hfp s SER 41 N 4.09 6.48 0.00 3.53 0.15 -1.26 -4.92 113.70 121.77 1hfp s SER 41 Ca 0.82 0.56 0.24 0.00 0.70 0.00 0.00 55.95 58.27 1hfp s SER 41 Cb -0.38 -2.18 1.28 0.00 -1.71 0.00 0.00 66.02 63.03 1hfp s SER 41 CO 0.36 0.17 1.79 -1.54 1.20 0.00 0.00 173.24 175.22 1hfp n SER 42 N 3.11 0.00 -3.88 5.45 3.41 -1.26 -4.79 113.62 115.67 1hfp n SER 42 Ca -0.13 -0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 58.00 1hfp n SER 42 Cb 0.52 -0.18 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 1hfp n SER 42 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hfp s VAL 43 N -2.37 0.30 0.24 -3.33 1.01 -1.26 -5.15 120.40 109.86 1hfp s VAL 43 Ca 0.27 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.90 1hfp s VAL 43 Cb 0.16 -0.34 -0.11 0.00 0.00 0.00 0.00 36.38 36.09 1hfp s VAL 43 CO 0.33 0.14 1.62 -0.70 0.00 0.00 0.00 175.10 176.49 1hfp s GLU 44 N 0.61 4.15 -0.34 2.72 2.12 -1.26 -2.22 118.70 124.47 1hfp s GLU 44 Ca -0.07 2.54 0.00 0.00 0.36 0.00 0.00 54.97 57.80 1hfp s GLU 44 Cb -0.10 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.23 1hfp s GLU 44 CO -0.01 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 1hfp n GLY 45 N 2.98 0.59 3.57 -1.50 0.00 -1.26 -5.03 105.19 104.55 1hfp n GLY 45 Ca 0.11 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1hfp n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfp s LYS 46 N -1.53 2.04 0.14 1.61 1.02 -0.94 -4.91 119.74 117.17 1hfp s LYS 46 Ca 0.00 -1.41 0.07 0.00 0.02 0.00 0.00 55.97 54.65 1hfp s LYS 46 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1hfp s LYS 46 CO 0.00 0.39 -0.16 -0.65 -0.92 0.00 0.00 175.35 174.01 1hfp s GLN 47 N -3.20 1.14 0.39 1.68 -0.21 -0.11 -4.75 119.66 114.60 1hfp s GLN 47 Ca 0.27 -1.32 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 1hfp s GLN 47 Cb -0.07 -1.09 -0.08 0.00 1.00 0.00 0.00 33.01 32.77 1hfp s GLN 47 CO 0.16 0.22 0.79 -0.80 -2.12 0.00 0.00 175.29 173.54 1hfp s ASN 48 N -2.57 6.65 -0.16 5.90 0.01 -1.26 -2.08 114.94 121.43 1hfp s ASN 48 Ca 0.12 1.26 -0.07 0.00 -0.71 0.00 0.00 52.86 53.46 1hfp s ASN 48 Cb -0.05 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 1hfp s ASN 48 CO 0.05 -0.34 0.10 -0.22 -1.51 0.00 0.00 177.10 175.17 1hfp s LEU 49 N -3.51 4.09 -0.15 0.60 2.96 -0.14 -1.54 118.68 120.99 1hfp s LEU 49 Ca 0.54 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1hfp s LEU 49 Cb -0.10 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 1hfp s LEU 49 CO 0.25 0.27 -0.15 0.68 -1.32 0.00 0.00 176.35 176.09 1hfp s VAL 50 N -0.22 2.74 -0.16 1.68 -7.23 0.19 -1.43 120.40 115.97 1hfp s VAL 50 Ca 0.09 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.47 1hfp s VAL 50 Cb -0.12 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1hfp s VAL 50 CO 0.01 0.52 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.68 1hfp s ILE 51 N 0.69 4.13 0.01 -0.62 1.01 -0.63 -0.54 121.20 125.26 1hfp s ILE 51 Ca -0.07 -0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 1hfp s ILE 51 Cb -0.16 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1hfp s ILE 51 CO 0.02 0.49 0.30 0.00 0.00 0.00 0.00 174.94 175.74 1hfp s MET 52 N 0.34 0.71 0.88 2.79 0.23 -0.91 -1.12 119.30 122.22 1hfp s MET 52 Ca -0.02 -0.31 -0.12 0.00 -1.03 0.00 0.00 55.69 54.21 1hfp s MET 52 Cb -0.14 0.31 0.12 0.00 -1.53 0.00 0.00 34.83 33.59 1hfp s MET 52 CO 0.02 -0.21 1.15 0.20 -2.03 0.00 0.00 175.02 174.15 1hfp s GLY 53 N -1.58 1.58 0.18 3.16 0.00 0.13 -0.91 107.32 109.88 1hfp s GLY 53 Ca -0.11 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 1hfp s GLY 53 CO 0.02 -0.02 1.76 1.70 0.00 0.00 0.00 173.10 176.56 1hfp h LYS 54 N -1.35 0.89 -0.12 2.90 3.64 -1.85 -2.28 116.57 118.39 1hfp h LYS 54 Ca -0.49 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 58.66 1hfp h LYS 54 Cb 1.33 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1hfp h LYS 54 CO 0.63 0.72 -0.35 -0.22 -2.27 0.00 0.00 179.45 177.96 1hfp h LYS 55 N 0.84 0.25 -0.28 1.90 3.64 -1.93 -2.50 116.57 118.49 1hfp h LYS 55 Ca 0.21 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1hfp h LYS 55 Cb 0.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1hfp h LYS 55 CO -0.03 0.58 0.05 1.15 -2.27 0.00 0.00 179.45 178.93 1hfp h THR 56 N 0.22 1.23 -0.48 1.00 2.02 -1.81 -2.69 112.91 112.39 1hfp h THR 56 Ca 0.03 -0.79 0.08 0.00 0.77 0.00 0.00 66.41 66.50 1hfp h THR 56 Cb 0.73 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 1hfp h THR 56 CO 0.06 0.25 0.11 -0.25 0.37 0.00 0.00 175.52 176.05 1hfp h TRP 57 N 0.27 0.17 0.00 3.16 2.91 -1.22 -1.12 115.95 120.13 1hfp h TRP 57 Ca 0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1hfp h TRP 57 Cb 0.33 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 1hfp h TRP 57 CO 0.02 0.01 0.00 1.19 -1.03 0.00 0.00 178.44 178.63 1hfp n PHE 58 N -5.10 0.72 1.50 2.65 3.72 -0.96 -2.58 117.46 117.41 1hfp n PHE 58 Ca 0.05 0.28 0.14 0.00 -0.05 0.00 0.00 57.45 57.87 1hfp n PHE 58 Cb 0.23 -0.96 0.58 0.00 -0.94 0.00 0.00 39.48 38.40 1hfp n PHE 58 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1hfp n SER 59 N -2.15 0.91 -4.80 4.37 3.41 -0.43 -4.82 113.62 110.12 1hfp n SER 59 Ca 0.02 -1.06 -0.38 0.00 -0.26 0.00 0.00 58.87 57.19 1hfp n SER 59 Cb 0.22 0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1hfp n SER 59 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1hfp s ILE 60 N -2.22 4.92 0.31 -1.33 1.01 -1.07 -4.98 121.20 117.83 1hfp s ILE 60 Ca 0.34 1.08 -0.29 0.00 0.00 0.00 0.00 60.65 61.78 1hfp s ILE 60 Cb 0.21 -3.84 -0.12 0.00 0.01 0.00 0.00 42.46 38.71 1hfp s ILE 60 CO 0.41 0.50 1.45 -2.65 0.00 0.00 0.00 174.94 174.65 1hfp n PRO 61 N 2.23 2.37 -0.34 2.79 -0.02 -1.26 -4.85 135.00 135.92 1hfp n PRO 61 Ca -0.10 0.84 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 1hfp n PRO 61 Cb 0.51 -2.52 0.40 0.00 -0.02 0.00 0.00 33.50 31.87 1hfp n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1hfp h GLU 62 N 3.72 0.58 0.00 -0.52 4.81 -1.94 0.29 114.58 121.53 1hfp h GLU 62 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1hfp h GLU 62 Cb 1.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1hfp h GLU 62 CO 0.71 0.39 0.00 0.36 -0.73 0.00 0.00 179.01 179.74 1hfp n LYS 63 N -4.75 0.18 -0.70 1.92 2.85 -1.26 -1.41 118.16 114.99 1hfp n LYS 63 Ca 0.25 0.41 0.08 0.00 -1.05 0.00 0.00 58.31 58.00 1hfp n LYS 63 Cb 0.70 -1.85 0.36 0.00 -0.65 0.00 0.00 35.03 33.59 1hfp n LYS 63 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1hfp n ASN 64 N -2.20 5.02 -4.26 -5.58 3.02 0.10 -4.95 115.26 106.41 1hfp n ASN 64 Ca 0.02 -2.70 -0.34 0.00 -0.03 0.00 0.00 54.58 51.53 1hfp n ASN 64 Cb 0.23 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 38.64 1hfp n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hfp s ARG 65 N -2.30 3.27 0.63 3.52 0.52 -0.50 -3.26 118.95 120.82 1hfp s ARG 65 Ca 0.51 -0.69 -0.13 0.00 -0.52 0.00 0.00 55.73 54.90 1hfp s ARG 65 Cb 0.36 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 1hfp s ARG 65 CO 0.19 -0.14 1.04 -1.25 0.02 0.00 0.00 175.30 175.16 1hfp s PRO 66 N 1.26 3.30 0.07 3.54 0.04 -1.26 -4.87 135.00 137.08 1hfp s PRO 66 Ca 0.03 0.97 -0.32 0.00 0.04 0.00 0.00 61.00 61.72 1hfp s PRO 66 Cb -0.14 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 1hfp s PRO 66 CO -0.05 -0.81 1.84 1.28 0.04 0.00 0.00 177.00 179.30 1hfp n LEU 67 N -2.59 3.82 -4.75 -3.56 4.77 -1.20 -4.87 117.00 108.62 1hfp n LEU 67 Ca 0.07 0.98 -0.41 0.00 -0.03 0.00 0.00 56.01 56.63 1hfp n LEU 67 Cb 0.54 -1.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.10 1hfp n LEU 67 CO 0.53 0.07 0.86 -1.59 -1.33 0.00 0.00 177.39 175.93 1hfp s LYS 68 N 3.12 4.54 -0.26 3.23 -2.85 -1.26 -3.41 119.74 122.85 1hfp s LYS 68 Ca 0.85 1.91 0.00 0.00 -1.00 0.00 0.00 55.97 57.73 1hfp s LYS 68 Cb -0.54 -3.18 0.00 0.00 -2.06 0.00 0.00 37.83 32.05 1hfp s LYS 68 CO 0.41 0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.32 1hfp n GLY 69 N 1.39 0.58 3.23 0.59 0.00 -1.26 -4.97 105.19 104.74 1hfp n GLY 69 Ca 0.01 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 1hfp n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hfp s ARG 70 N -1.71 0.99 -0.22 1.61 0.52 -1.22 -4.58 118.95 114.34 1hfp s ARG 70 Ca 0.00 -1.23 -0.23 0.00 -0.52 0.00 0.00 55.73 53.75 1hfp s ARG 70 Cb 0.00 -0.82 -0.01 0.00 0.52 0.00 0.00 34.95 34.64 1hfp s ARG 70 CO 0.00 0.15 0.74 0.42 0.02 0.00 0.00 175.30 176.63 1hfp s ILE 71 N -2.24 4.92 -0.33 1.52 1.01 -0.59 -4.84 121.20 120.65 1hfp s ILE 71 Ca 0.08 1.39 -0.13 0.00 0.00 0.00 0.00 60.65 61.99 1hfp s ILE 71 Cb -0.04 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1hfp s ILE 71 CO 0.02 0.01 0.28 0.20 0.00 0.00 0.00 174.94 175.45 1hfp s ASN 72 N 1.31 6.10 -0.10 3.58 0.02 -1.26 0.53 114.94 125.12 1hfp s ASN 72 Ca 0.32 -0.29 0.01 0.00 -1.02 0.00 0.00 52.86 51.88 1hfp s ASN 72 Cb -0.16 -2.16 -0.02 0.00 0.02 0.00 0.00 41.25 38.94 1hfp s ASN 72 CO 0.09 -0.24 -0.14 -0.22 0.02 0.00 0.00 177.10 176.61 1hfp s LEU 73 N 1.83 2.71 -0.08 0.60 0.20 0.30 -1.75 118.68 122.49 1hfp s LEU 73 Ca 0.08 -0.29 -0.02 0.00 0.69 0.00 0.00 54.13 54.59 1hfp s LEU 73 Cb -0.17 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 43.97 1hfp s LEU 73 CO 0.11 0.22 0.02 -0.69 -0.29 0.00 0.00 176.35 175.72 1hfp s VAL 74 N 0.02 4.44 -0.15 1.68 1.01 -0.54 -2.14 120.40 124.72 1hfp s VAL 74 Ca -0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1hfp s VAL 74 Cb -0.14 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1hfp s VAL 74 CO 0.04 0.58 0.05 -0.76 0.00 0.00 0.00 175.10 175.01 1hfp s LEU 75 N -0.99 3.77 -0.27 3.92 1.43 -0.08 -1.78 118.68 124.67 1hfp s LEU 75 Ca 0.14 0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.11 1hfp s LEU 75 Cb -0.11 -1.92 0.15 0.00 0.03 0.00 0.00 46.19 44.33 1hfp s LEU 75 CO 0.04 0.26 1.17 -0.55 0.23 0.00 0.00 176.35 177.49 1hfp s SER 76 N -0.14 -0.30 0.00 2.29 0.15 -0.34 -2.61 113.70 112.74 1hfp s SER 76 Ca 0.06 0.56 0.19 0.00 0.70 0.00 0.00 55.95 57.46 1hfp s SER 76 Cb -0.12 0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 64.64 1hfp s SER 76 CO 0.01 -0.12 0.90 0.54 1.20 0.00 0.00 173.24 175.77 1hfp n ARG 77 N 1.80 1.17 -0.04 5.44 1.74 -1.26 -4.06 116.66 121.45 1hfp n ARG 77 Ca -0.11 -0.50 -0.19 0.00 -0.77 0.00 0.00 57.85 56.28 1hfp n ARG 77 Cb 0.56 -1.38 -0.13 0.00 -1.02 0.00 0.00 32.46 30.49 1hfp n ARG 77 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1hfp n GLU 78 N -0.69 0.71 -2.35 5.56 1.02 -1.26 -4.97 120.64 118.66 1hfp n GLU 78 Ca 0.06 0.22 -0.37 0.00 -0.02 0.00 0.00 57.16 57.05 1hfp n GLU 78 Cb 0.36 -1.65 -0.02 0.00 -0.02 0.00 0.00 31.44 30.11 1hfp n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hfp s LEU 79 N -6.75 4.08 -0.10 -4.62 1.43 -1.26 -4.97 118.68 106.49 1hfp s LEU 79 Ca -0.24 2.23 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 1hfp s LEU 79 Cb 0.07 -4.18 -0.25 0.00 0.03 0.00 0.00 46.19 41.87 1hfp s LEU 79 CO 0.72 -0.74 0.44 0.29 0.23 0.00 0.00 176.35 177.29 1hfp n LYS 80 N -0.25 0.70 -4.12 1.70 5.02 -1.26 -4.96 118.16 114.98 1hfp n LYS 80 Ca 0.06 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.50 1hfp n LYS 80 Cb 0.48 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.66 1hfp n LYS 80 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1hfp s GLU 81 N -2.57 0.70 0.42 1.97 -1.05 -1.26 -5.11 118.70 111.80 1hfp s GLU 81 Ca -0.16 -1.13 -0.25 0.00 -0.15 0.00 0.00 54.97 53.29 1hfp s GLU 81 Cb 0.07 -0.18 -0.10 0.00 -0.44 0.00 0.00 34.13 33.48 1hfp s GLU 81 CO 0.78 -0.01 1.15 -2.30 0.95 0.00 0.00 175.26 175.84 1hfp n PRO 82 N 0.48 1.65 -0.56 -4.83 -0.02 -1.26 -4.94 135.00 125.53 1hfp n PRO 82 Ca -0.16 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 1hfp n PRO 82 Cb 0.59 -2.22 0.24 0.00 -0.02 0.00 0.00 33.50 32.09 1hfp n PRO 82 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1hfp s PRO 83 N -2.11 -0.69 0.27 0.52 0.04 -1.26 -4.84 135.00 126.93 1hfp s PRO 83 Ca 0.62 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 1hfp s PRO 83 Cb -0.54 -1.57 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 1hfp s PRO 83 CO 0.57 -3.60 1.55 0.94 0.04 0.00 0.00 177.00 176.50 1hfp n GLN 84 N -4.85 2.49 0.00 4.56 7.27 -1.26 -2.47 117.38 123.12 1hfp n GLN 84 Ca 0.04 0.89 0.00 0.00 0.07 0.00 0.00 57.00 58.00 1hfp n GLN 84 Cb 0.54 -2.64 0.00 0.00 2.41 0.00 0.00 30.24 30.55 1hfp n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hfp n GLY 85 N 2.35 2.78 3.79 1.69 0.00 -1.26 -4.91 105.19 109.62 1hfp n GLY 85 Ca 0.10 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1hfp n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfp s ALA 86 N -1.81 2.75 -0.16 4.61 0.00 -1.03 -4.05 121.76 122.07 1hfp s ALA 86 Ca 0.00 0.58 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1hfp s ALA 86 Cb 0.00 -3.27 -0.23 0.00 0.00 0.00 0.00 23.12 19.61 1hfp s ALA 86 CO 0.00 -0.66 0.21 0.72 0.00 0.00 0.00 175.76 176.03 1hfp n HIS 87 N -1.52 0.39 -3.87 0.00 -0.00 -0.72 -4.82 115.22 104.69 1hfp n HIS 87 Ca 0.10 0.12 -0.11 0.00 -0.00 0.00 0.00 57.72 57.83 1hfp n HIS 87 Cb 0.52 -1.07 -0.09 0.00 -0.00 0.00 0.00 29.99 29.36 1hfp n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1hfp s PHE 88 N -2.53 0.07 -0.05 4.41 0.08 -1.00 -4.99 117.98 113.97 1hfp s PHE 88 Ca -0.14 -0.26 0.02 0.00 0.12 0.00 0.00 56.93 56.67 1hfp s PHE 88 Cb 0.07 -0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.48 1hfp s PHE 88 CO 0.78 -0.37 -0.11 -1.17 -0.10 0.00 0.00 175.22 174.26 1hfp s LEU 89 N -1.84 1.63 0.07 -0.37 2.96 -1.26 -1.47 118.68 118.40 1hfp s LEU 89 Ca -0.08 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1hfp s LEU 89 Cb -0.03 -0.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 1hfp s LEU 89 CO -0.02 0.03 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.45 1hfp s SER 90 N 0.59 1.79 0.00 3.68 0.01 -0.73 -4.96 113.70 114.08 1hfp s SER 90 Ca -0.12 -0.58 0.25 0.00 1.31 0.00 0.00 55.95 56.81 1hfp s SER 90 Cb -0.14 -0.08 0.56 0.00 0.21 0.00 0.00 66.02 66.57 1hfp s SER 90 CO 0.03 -0.03 1.45 0.54 0.41 0.00 0.00 173.24 175.64 1hfp n ARG 91 N 1.41 0.03 -3.57 12.44 1.74 -1.26 -1.20 116.66 126.26 1hfp n ARG 91 Ca -0.20 -0.02 -0.11 0.00 -0.77 0.00 0.00 57.85 56.75 1hfp n ARG 91 Cb 0.54 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 1hfp n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1hfp s SER 92 N -2.98 -0.40 0.35 0.55 1.04 -1.26 -4.56 113.70 106.43 1hfp s SER 92 Ca 0.12 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.38 1hfp s SER 92 Cb 0.18 0.58 0.64 0.00 0.10 0.00 0.00 66.02 67.51 1hfp s SER 92 CO 0.68 -0.99 1.88 0.25 0.98 0.00 0.00 173.24 176.04 1hfp h LEU 93 N 2.13 0.42 -0.36 2.42 5.85 -2.00 -2.67 115.31 121.09 1hfp h LEU 93 Ca -0.32 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 1hfp h LEU 93 Cb 1.28 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1hfp h LEU 93 CO 0.39 0.52 0.06 0.44 -0.34 0.00 0.00 178.44 179.51 1hfp h ASP 94 N 0.42 0.57 -0.63 1.25 3.32 -1.99 -2.49 116.42 116.87 1hfp h ASP 94 Ca 0.09 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1hfp h ASP 94 Cb 0.36 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1hfp h ASP 94 CO 0.02 0.68 0.30 0.44 -1.72 0.00 0.00 179.24 178.95 1hfp h ASP 95 N 0.43 0.85 -0.74 6.45 3.32 -1.95 0.38 116.42 125.17 1hfp h ASP 95 Ca 0.11 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1hfp h ASP 95 Cb 0.35 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1hfp h ASP 95 CO 0.01 0.73 0.21 0.00 -1.72 0.00 0.00 179.24 178.47 1hfp h ALA 96 N 1.40 0.97 -0.07 3.45 0.00 -1.24 -1.51 119.26 122.26 1hfp h ALA 96 Ca 0.23 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1hfp h ALA 96 Cb 0.12 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1hfp h ALA 96 CO -0.03 0.67 -0.71 -0.07 0.00 0.00 0.00 179.25 179.11 1hfp h LEU 97 N 1.11 0.74 -1.36 0.00 3.38 -1.14 -3.12 115.31 114.92 1hfp h LEU 97 Ca 0.23 -0.69 0.12 0.00 0.09 0.00 0.00 57.88 57.63 1hfp h LEU 97 Cb 0.34 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1hfp h LEU 97 CO -0.00 1.32 0.53 0.11 0.09 0.00 0.00 178.44 180.49 1hfp h LYS 98 N 0.22 0.66 0.00 1.13 1.57 -0.07 -1.81 116.57 118.28 1hfp h LYS 98 Ca -0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1hfp h LYS 98 Cb 1.37 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1hfp h LYS 98 CO 0.14 0.43 -0.12 1.25 -0.57 0.00 0.00 179.45 180.58 1hfp h LEU 99 N 0.68 0.00 -0.98 2.94 6.46 -1.21 -2.89 115.31 120.31 1hfp h LEU 99 Ca 0.39 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 58.07 1hfp h LEU 99 Cb 0.58 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1hfp h LEU 99 CO -0.16 0.12 -0.12 0.74 -0.62 0.00 0.00 178.44 178.41 1hfp h THR 100 N 0.00 1.24 -0.38 1.05 2.02 -1.34 -2.67 112.91 112.83 1hfp h THR 100 Ca -0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1hfp h THR 100 Cb 0.34 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1hfp h THR 100 CO 0.02 0.36 0.00 -0.62 0.37 0.00 0.00 175.52 175.65 1hfp n GLU 101 N -4.18 2.15 -3.22 6.66 -0.58 -1.09 -2.40 120.64 117.97 1hfp n GLU 101 Ca 0.01 -1.48 -0.39 0.00 -0.42 0.00 0.00 57.16 54.88 1hfp n GLU 101 Cb 0.34 -1.42 -0.06 0.00 -0.57 0.00 0.00 31.44 29.73 1hfp n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1hfp s GLN 102 N -1.56 4.36 0.44 3.49 -1.52 -1.01 -4.86 119.66 119.01 1hfp s GLN 102 Ca 0.27 0.59 0.32 0.00 -1.95 0.00 0.00 55.36 54.59 1hfp s GLN 102 Cb 0.15 -3.45 1.48 0.00 -0.22 0.00 0.00 33.01 30.97 1hfp s GLN 102 CO 0.16 0.10 1.59 -1.00 -0.25 0.00 0.00 175.29 175.89 1hfp h PRO 103 N 6.79 0.03 0.00 2.91 0.13 -1.88 0.21 132.00 140.19 1hfp h PRO 103 Ca -0.40 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1hfp h PRO 103 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1hfp h PRO 103 CO 0.76 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.93 1hfp n GLU 104 N -4.72 0.00 0.13 0.86 1.02 -1.26 -3.45 120.64 113.22 1hfp n GLU 104 Ca 0.40 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1hfp n GLU 104 Cb 1.53 -1.25 0.09 0.00 -0.02 0.00 0.00 31.44 31.79 1hfp n GLU 104 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1hfp h LEU 105 N 0.00 0.00 -0.63 -4.62 3.38 -1.59 -3.40 115.31 108.45 1hfp h LEU 105 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1hfp h LEU 105 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1hfp h LEU 105 CO 0.00 0.61 -0.03 0.00 0.09 0.00 0.00 178.44 179.11 1hfp n ALA 106 N -2.30 0.28 1.00 1.53 0.00 0.65 -0.02 120.51 121.65 1hfp n ALA 106 Ca 0.01 0.68 0.11 0.00 0.00 0.00 0.00 53.44 54.24 1hfp n ALA 106 Cb 0.71 -0.47 0.01 0.00 0.00 0.00 0.00 19.45 19.70 1hfp n ALA 106 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1hfp n ASN 107 N -4.87 2.14 -0.03 0.00 6.94 -1.26 -4.49 115.26 113.68 1hfp n ASN 107 Ca 0.14 -1.57 -0.09 0.00 -0.02 0.00 0.00 54.58 53.03 1hfp n ASN 107 Cb 0.44 0.43 -0.14 0.00 -2.36 0.00 0.00 39.78 38.14 1hfp n ASN 107 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1hfp n LYS 108 N 0.13 0.65 -3.61 -3.83 5.02 0.98 -4.88 118.16 112.61 1hfp n LYS 108 Ca 0.10 0.25 -0.36 0.00 -2.02 0.00 0.00 58.31 56.28 1hfp n LYS 108 Cb 0.48 -1.75 -0.08 0.00 -0.02 0.00 0.00 35.03 33.66 1hfp n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hfp s VAL 109 N -2.58 5.34 0.00 -0.18 1.01 -1.01 -0.93 120.40 122.05 1hfp s VAL 109 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1hfp s VAL 109 Cb 0.08 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1hfp s VAL 109 CO 0.82 0.38 0.00 -0.67 0.00 0.00 0.00 175.10 175.63 1hfp n ASP 110 N 3.82 0.00 -4.89 3.32 2.03 -0.88 -4.23 116.55 115.72 1hfp n ASP 110 Ca -0.13 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.87 1hfp n ASP 110 Cb 0.52 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.87 1hfp n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1hfp s MET 111 N 0.30 3.69 -0.17 -0.67 -1.94 -1.26 0.16 119.30 119.40 1hfp s MET 111 Ca 0.00 0.07 -0.01 0.00 -1.71 0.00 0.00 55.69 54.03 1hfp s MET 111 Cb 0.00 -2.72 -0.00 0.00 2.01 0.00 0.00 34.83 34.12 1hfp s MET 111 CO 0.00 0.34 -0.12 0.54 -0.01 0.00 0.00 175.02 175.78 1hfp s VAL 112 N -1.84 2.93 -0.19 -6.03 0.11 0.57 -0.97 120.40 114.99 1hfp s VAL 112 Ca 0.44 -0.67 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1hfp s VAL 112 Cb -0.11 -2.27 -0.01 0.00 -1.53 0.00 0.00 36.38 32.46 1hfp s VAL 112 CO 0.25 0.49 -0.08 0.26 -3.33 0.00 0.00 175.10 172.69 1hfp s TRP 113 N 0.96 2.91 -0.38 1.54 0.52 -0.51 -1.04 118.94 122.94 1hfp s TRP 113 Ca -0.02 -0.94 -0.24 0.00 0.02 0.00 0.00 56.10 54.92 1hfp s TRP 113 Cb -0.15 -2.02 0.01 0.00 -1.15 0.00 0.00 33.47 30.16 1hfp s TRP 113 CO -0.01 -0.49 0.81 0.42 0.02 0.00 0.00 176.95 177.70 1hfp s ILE 114 N 1.18 4.69 -0.66 2.03 1.01 0.73 -1.60 121.20 128.59 1hfp s ILE 114 Ca 0.02 0.89 0.15 0.00 0.00 0.00 0.00 60.65 61.71 1hfp s ILE 114 Cb -0.14 -4.25 0.52 0.00 0.01 0.00 0.00 42.46 38.60 1hfp s ILE 114 CO -0.02 -0.49 1.44 1.33 0.00 0.00 0.00 174.94 177.19 1hfp n VAL 115 N 5.87 1.79 0.00 2.92 0.24 -0.28 -1.99 118.33 126.88 1hfp n VAL 115 Ca 0.04 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 1hfp n VAL 115 Cb 0.48 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1hfp n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hfp n GLY 116 N 0.28 2.05 0.00 7.63 0.00 -1.26 -4.94 105.19 108.94 1hfp n GLY 116 Ca 0.20 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1hfp n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfp n GLY 117 N -0.25 4.21 0.36 -0.02 0.00 -1.26 -0.69 105.19 107.54 1hfp n GLY 117 Ca 0.00 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.73 1hfp n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1hfp h SER 118 N 0.00 0.72 -0.40 1.61 0.02 -1.99 -1.23 113.55 112.27 1hfp h SER 118 Ca 0.00 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1hfp h SER 118 Cb 0.00 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.32 1hfp h SER 118 CO 0.00 0.44 -0.17 0.28 -1.14 0.00 0.00 176.83 176.24 1hfp h SER 119 N 0.80 -0.58 0.10 3.07 0.02 -1.95 0.59 113.55 115.61 1hfp h SER 119 Ca 0.37 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1hfp h SER 119 Cb 0.39 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1hfp h SER 119 CO -0.14 -0.20 -0.05 0.58 -1.14 0.00 0.00 176.83 175.88 1hfp h VAL 120 N -0.09 1.13 -0.04 2.27 2.07 -1.71 -2.99 116.25 116.89 1hfp h VAL 120 Ca 0.20 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1hfp h VAL 120 Cb 0.39 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1hfp h VAL 120 CO -0.46 0.25 0.01 1.88 0.02 0.00 0.00 177.57 179.27 1hfp h TYR 121 N -0.64 0.02 -0.61 1.57 0.05 -0.91 -1.12 116.97 115.33 1hfp h TYR 121 Ca -0.01 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.90 1hfp h TYR 121 Cb 0.51 -0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.14 1hfp h TYR 121 CO 0.08 0.01 -0.01 -0.22 -1.05 0.00 0.00 178.16 176.97 1hfp h LYS 122 N 0.03 0.10 -0.05 4.88 3.64 0.16 -1.05 116.57 124.28 1hfp h LYS 122 Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1hfp h LYS 122 Cb 0.01 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1hfp h LYS 122 CO -0.02 0.07 -0.01 1.49 -2.27 0.00 0.00 179.45 178.70 1hfp h GLU 123 N 0.10 0.10 -0.67 1.90 4.57 -1.42 -2.96 114.58 116.21 1hfp h GLU 123 Ca 0.32 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.55 1hfp h GLU 123 Cb 0.51 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 1hfp h GLU 123 CO -0.54 0.43 0.32 0.00 -1.18 0.00 0.00 179.01 178.04 1hfp h ALA 124 N 0.67 0.90 -0.74 2.92 0.00 -0.90 -1.89 119.26 120.21 1hfp h ALA 124 Ca 0.01 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1hfp h ALA 124 Cb 0.39 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1hfp h ALA 124 CO 0.00 -0.08 0.50 1.98 0.00 0.00 0.00 179.25 181.66 1hfp h MET 125 N 0.55 0.34 0.00 0.00 -1.53 -1.19 -1.86 114.93 111.24 1hfp h MET 125 Ca 0.33 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.57 1hfp h MET 125 Cb 0.34 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 1hfp h MET 125 CO -0.26 0.22 -1.15 0.09 0.14 0.00 0.00 176.91 175.95 1hfp n ASN 126 N -4.46 0.83 -4.64 1.39 3.02 -0.89 -4.96 115.26 105.55 1hfp n ASN 126 Ca 0.14 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.43 1hfp n ASN 126 Cb 0.57 1.16 -0.01 0.00 -0.61 0.00 0.00 39.78 40.90 1hfp n ASN 126 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1hfp n HIS 127 N -1.62 1.68 -2.53 3.10 -0.00 -0.70 -4.92 115.22 110.23 1hfp n HIS 127 Ca 0.03 0.63 -0.40 0.00 0.46 0.00 0.00 57.72 58.43 1hfp n HIS 127 Cb 0.36 -2.32 -0.04 0.00 -0.12 0.00 0.00 29.99 27.88 1hfp n HIS 127 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1hfp s PRO 128 N -1.73 4.66 0.00 1.57 0.04 -1.26 -4.89 135.00 133.38 1hfp s PRO 128 Ca 0.58 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1hfp s PRO 128 Cb -0.63 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1hfp s PRO 128 CO 0.61 0.21 0.00 0.41 0.04 0.00 0.00 177.00 178.27 1hfp n GLY 129 N 1.53 -0.10 3.69 0.56 0.00 -1.25 -5.00 105.19 104.62 1hfp n GLY 129 Ca 0.00 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 1hfp n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hfp s HIS 130 N 0.00 3.33 -0.05 1.61 5.65 -1.26 -3.65 115.29 120.93 1hfp s HIS 130 Ca 0.00 1.38 -0.15 0.00 0.25 0.00 0.00 55.06 56.54 1hfp s HIS 130 Cb 0.00 -3.32 0.03 0.00 -1.18 0.00 0.00 32.58 28.11 1hfp s HIS 130 CO 0.00 -0.85 0.34 -1.17 -0.65 0.00 0.00 174.74 172.41 1hfp s LEU 131 N 2.09 0.73 -0.01 8.88 2.96 -0.96 -4.58 118.68 127.79 1hfp s LEU 131 Ca 0.53 0.27 0.06 0.00 -0.22 0.00 0.00 54.13 54.77 1hfp s LEU 131 Cb -0.22 1.31 -0.02 0.00 0.50 0.00 0.00 46.19 47.76 1hfp s LEU 131 CO 0.21 -0.37 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.11 1hfp s LYS 132 N -0.94 1.67 -0.20 1.98 1.02 -1.19 -1.52 119.74 120.55 1hfp s LYS 132 Ca -0.10 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 1hfp s LYS 132 Cb -0.04 -1.62 -0.00 0.00 -0.52 0.00 0.00 37.83 35.65 1hfp s LYS 132 CO 0.04 0.44 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.31 1hfp s LEU 133 N -0.50 2.68 -0.43 3.17 1.02 0.15 -1.65 118.68 123.11 1hfp s LEU 133 Ca 0.08 -0.45 -0.15 0.00 0.02 0.00 0.00 54.13 53.63 1hfp s LEU 133 Cb -0.08 -1.66 0.05 0.00 0.02 0.00 0.00 46.19 44.52 1hfp s LEU 133 CO -0.01 0.00 0.33 -0.36 0.02 0.00 0.00 176.35 176.34 1hfp s PHE 134 N 1.31 3.25 -0.19 0.29 0.40 -0.37 -1.25 117.98 121.43 1hfp s PHE 134 Ca 0.04 -0.80 -0.00 0.00 -0.60 0.00 0.00 56.93 55.56 1hfp s PHE 134 Cb -0.14 -2.84 0.01 0.00 0.51 0.00 0.00 43.02 40.56 1hfp s PHE 134 CO -0.05 -0.69 -0.15 0.08 0.70 0.00 0.00 175.22 175.11 1hfp s VAL 135 N 1.64 2.52 -0.37 -0.44 1.01 0.67 -2.34 120.40 123.09 1hfp s VAL 135 Ca 0.04 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 1hfp s VAL 135 Cb -0.21 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1hfp s VAL 135 CO 0.08 0.50 0.61 -0.89 0.00 0.00 0.00 175.10 175.41 1hfp s THR 136 N 1.26 4.90 -0.57 3.92 2.01 -0.25 -0.23 115.64 126.69 1hfp s THR 136 Ca 0.03 0.44 -0.26 0.00 0.31 0.00 0.00 61.69 62.21 1hfp s THR 136 Cb -0.14 -4.08 0.04 0.00 0.01 0.00 0.00 72.50 68.33 1hfp s THR 136 CO -0.08 -0.35 1.08 -0.13 -0.69 0.00 0.00 174.62 174.44 1hfp s ARG 137 N 2.67 3.42 -0.32 4.92 1.81 0.12 -1.51 118.95 130.05 1hfp s ARG 137 Ca 0.23 -0.01 -0.23 0.00 -1.72 0.00 0.00 55.73 53.99 1hfp s ARG 137 Cb -0.15 -4.04 0.00 0.00 -0.45 0.00 0.00 34.95 30.32 1hfp s ARG 137 CO 0.15 -1.61 0.78 0.42 -0.68 0.00 0.00 175.30 174.36 1hfp s ILE 138 N 4.51 4.78 -1.22 1.52 -1.09 0.67 -1.49 121.20 128.88 1hfp s ILE 138 Ca 0.37 1.07 -0.07 0.00 -2.23 0.00 0.00 60.65 59.79 1hfp s ILE 138 Cb -0.10 -4.16 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1hfp s ILE 138 CO 0.22 -0.30 2.78 0.23 -1.23 0.00 0.00 174.94 176.64 1hfp n MET 139 N 6.25 3.77 -3.81 2.79 2.81 1.00 -2.20 117.12 127.72 1hfp n MET 139 Ca 0.03 -2.61 -0.05 0.00 -1.81 0.00 0.00 57.70 53.26 1hfp n MET 139 Cb 0.48 -2.58 -0.00 0.00 -0.71 0.00 0.00 33.22 30.41 1hfp n MET 139 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1hfp s GLN 140 N 0.28 1.53 0.00 0.03 -2.07 -1.26 -4.80 119.66 113.37 1hfp s GLN 140 Ca 0.62 -0.90 -0.16 0.00 -1.82 0.00 0.00 55.36 53.10 1hfp s GLN 140 Cb 0.22 0.48 -0.06 0.00 -1.09 0.00 0.00 33.01 32.56 1hfp s GLN 140 CO -0.09 -0.71 0.44 -0.51 -1.32 0.00 0.00 175.29 173.11 1hfp s ASP 141 N -3.04 6.84 -0.04 12.60 1.11 -1.26 -0.23 116.67 132.65 1hfp s ASP 141 Ca 0.14 1.00 -0.00 0.00 0.18 0.00 0.00 52.55 53.87 1hfp s ASP 141 Cb -0.03 -2.27 0.03 0.00 1.07 0.00 0.00 42.92 41.71 1hfp s ASP 141 CO 0.05 0.29 0.01 -0.36 1.18 0.00 0.00 175.17 176.35 1hfp s PHE 142 N -0.94 0.31 -0.23 4.23 0.08 -1.26 -4.98 117.98 115.18 1hfp s PHE 142 Ca 0.25 0.03 -0.37 0.00 0.12 0.00 0.00 56.93 56.95 1hfp s PHE 142 Cb -0.17 -0.49 -0.14 0.00 -0.57 0.00 0.00 43.02 41.66 1hfp s PHE 142 CO 0.14 -0.18 1.87 -1.91 -0.10 0.00 0.00 175.22 175.05 1hfp n GLU 143 N 4.56 1.48 -4.44 0.44 2.13 -1.26 -4.81 120.64 118.73 1hfp n GLU 143 Ca -0.18 0.52 -0.21 0.00 0.66 0.00 0.00 57.16 57.95 1hfp n GLU 143 Cb 0.50 -2.35 -0.11 0.00 0.27 0.00 0.00 31.44 29.76 1hfp n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1hfp s SER 144 N 4.41 2.44 0.00 4.31 0.01 -1.26 -4.79 113.70 118.82 1hfp s SER 144 Ca 0.99 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1hfp s SER 144 Cb -0.91 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1hfp s SER 144 CO 0.58 -0.56 0.05 -0.90 0.41 0.00 0.00 173.24 172.82 1hfp n ASP 145 N -0.66 0.09 -3.94 2.44 5.68 -0.60 -4.97 116.55 114.58 1hfp n ASP 145 Ca -0.03 -0.38 -0.18 0.00 -0.50 0.00 0.00 54.79 53.70 1hfp n ASP 145 Cb 0.66 0.40 -0.15 0.00 -1.14 0.00 0.00 41.12 40.88 1hfp n ASP 145 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1hfp s THR 146 N -0.40 0.50 0.14 2.12 -1.32 -1.14 -5.01 115.64 110.54 1hfp s THR 146 Ca 0.00 -0.21 0.08 0.00 -1.21 0.00 0.00 61.69 60.36 1hfp s THR 146 Cb 0.00 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 1hfp s THR 146 CO 0.00 0.17 -0.19 -0.36 -2.21 0.00 0.00 174.62 172.03 1hfp s PHE 147 N 0.27 1.82 0.25 9.09 0.40 -1.26 -1.08 117.98 127.46 1hfp s PHE 147 Ca -0.03 -0.45 -0.24 0.00 -0.60 0.00 0.00 56.93 55.61 1hfp s PHE 147 Cb -0.07 -0.94 -0.09 0.00 0.51 0.00 0.00 43.02 42.43 1hfp s PHE 147 CO -0.00 0.28 0.83 0.12 0.70 0.00 0.00 175.22 177.16 1hfp s PHE 148 N -1.71 3.73 0.67 0.36 5.36 0.10 -4.65 117.98 121.84 1hfp s PHE 148 Ca 0.12 1.62 -0.14 0.00 -0.96 0.00 0.00 56.93 57.58 1hfp s PHE 148 Cb -0.07 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1hfp s PHE 148 CO 0.06 0.33 1.09 -1.25 -1.46 0.00 0.00 175.22 173.99 1hfp s PRO 149 N -1.81 2.80 0.25 10.12 0.05 -1.26 -4.96 135.00 140.19 1hfp s PRO 149 Ca 0.44 1.28 -0.31 0.00 0.05 0.00 0.00 61.00 62.46 1hfp s PRO 149 Cb -0.19 -1.96 -0.11 0.00 0.05 0.00 0.00 34.50 32.29 1hfp s PRO 149 CO 0.24 -1.23 1.61 -2.00 0.05 0.00 0.00 177.00 175.66 1hfp s GLU 150 N -4.33 4.15 -0.13 4.56 2.12 -1.26 -4.97 118.70 118.84 1hfp s GLU 150 Ca 0.64 2.53 -0.23 0.00 0.36 0.00 0.00 54.97 58.28 1hfp s GLU 150 Cb -0.18 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1hfp s GLU 150 CO 0.45 -0.64 0.69 0.42 -0.54 0.00 0.00 175.26 175.64 1hfp s ILE 151 N 0.42 5.01 -0.45 -3.70 1.01 -1.26 -5.02 121.20 117.21 1hfp s ILE 151 Ca 0.66 1.37 -0.26 0.00 0.00 0.00 0.00 60.65 62.42 1hfp s ILE 151 Cb -0.47 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.01 1hfp s ILE 151 CO 0.42 0.16 0.96 -0.62 0.00 0.00 0.00 174.94 175.87 1hfp s ASP 152 N 0.99 6.56 0.00 3.58 -1.08 -1.26 -4.89 116.67 120.57 1hfp s ASP 152 Ca 0.34 0.27 0.23 0.00 -0.52 0.00 0.00 52.55 52.87 1hfp s ASP 152 Cb -0.17 -2.47 1.12 0.00 -1.46 0.00 0.00 42.92 39.94 1hfp s ASP 152 CO 0.14 -1.05 1.75 0.18 0.52 0.00 0.00 175.17 176.71 1hfp n LEU 153 N 7.21 0.00 0.17 -1.34 4.77 -1.26 -0.81 117.00 125.73 1hfp n LEU 153 Ca 0.07 0.33 0.09 0.00 -0.03 0.00 0.00 56.01 56.48 1hfp n LEU 153 Cb 0.48 -0.33 0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1hfp n LEU 153 CO 0.64 -0.08 0.50 -0.33 -1.33 0.00 0.00 177.39 176.79 1hfp h GLU 154 N 0.00 0.00 0.00 3.23 4.39 -2.03 -3.37 114.58 116.80 1hfp h GLU 154 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1hfp h GLU 154 Cb 0.25 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1hfp h GLU 154 CO 0.00 0.11 -1.95 1.63 -1.16 0.00 0.00 179.01 177.64 1hfp n LYS 155 N -3.01 0.87 -3.67 2.33 5.02 -0.34 -4.98 118.16 114.38 1hfp n LYS 155 Ca 0.02 0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 56.01 1hfp n LYS 155 Cb 0.59 -1.34 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 1hfp n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1hfp s TYR 156 N -2.33 3.47 -0.14 2.13 2.02 0.01 -4.50 117.35 118.00 1hfp s TYR 156 Ca -0.18 0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.95 1hfp s TYR 156 Cb 0.05 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1hfp s TYR 156 CO 0.44 0.35 0.04 0.15 -1.57 0.00 0.00 175.55 174.96 1hfp s LYS 157 N 0.15 3.54 -0.06 -0.62 1.02 -0.03 -4.43 119.74 119.31 1hfp s LYS 157 Ca 0.13 -0.35 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1hfp s LYS 157 Cb -0.12 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1hfp s LYS 157 CO 0.01 0.49 1.30 -1.17 -0.92 0.00 0.00 175.35 175.07 1hfp s LEU 158 N -0.26 4.27 0.33 3.17 2.96 -1.26 -1.63 118.68 126.26 1hfp s LEU 158 Ca 0.07 1.91 -0.24 0.00 -0.22 0.00 0.00 54.13 55.66 1hfp s LEU 158 Cb -0.12 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 1hfp s LEU 158 CO 0.02 -0.68 0.91 -0.76 -1.32 0.00 0.00 176.35 174.52 1hfp s LEU 159 N 2.60 4.26 0.31 -0.68 1.43 0.82 -4.94 118.68 122.48 1hfp s LEU 159 Ca 0.59 1.74 0.26 0.00 -1.03 0.00 0.00 54.13 55.69 1hfp s LEU 159 Cb -0.27 -4.05 0.87 0.00 0.03 0.00 0.00 46.19 42.77 1hfp s LEU 159 CO 0.22 -0.11 1.76 1.55 0.23 0.00 0.00 176.35 180.00 1hfp h PRO 160 N 2.95 0.00 -1.53 1.29 0.13 -1.95 -3.44 132.00 129.46 1hfp h PRO 160 Ca -0.47 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.90 1hfp h PRO 160 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1hfp h PRO 160 CO 0.64 0.00 0.79 -1.83 -0.23 0.00 0.00 178.00 177.37 1hfp s GLU 161 N -3.27 0.34 -0.16 0.86 -1.05 -1.26 -5.08 118.70 109.08 1hfp s GLU 161 Ca 0.07 -0.12 -0.09 0.00 -0.15 0.00 0.00 54.97 54.68 1hfp s GLU 161 Cb 0.10 0.16 0.06 0.00 -0.44 0.00 0.00 34.13 34.00 1hfp s GLU 161 CO 0.54 -0.15 0.40 -0.47 0.95 0.00 0.00 175.26 176.52 1hfp s TYR 162 N -2.43 -0.58 -0.10 4.83 5.04 -1.26 -5.06 117.35 117.80 1hfp s TYR 162 Ca 0.09 1.24 -0.36 0.00 -2.44 0.00 0.00 57.07 55.60 1hfp s TYR 162 Cb -0.01 0.24 -0.13 0.00 0.35 0.00 0.00 41.96 42.41 1hfp s TYR 162 CO -0.05 -0.33 1.78 -0.35 -1.34 0.00 0.00 175.55 175.26 1hfp n PRO 163 N 4.23 1.85 -0.57 4.97 -0.04 -1.26 -2.36 135.00 141.82 1hfp n PRO 163 Ca -0.23 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1hfp n PRO 163 Cb 0.55 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1hfp n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hfp n GLY 164 N 4.11 0.78 3.08 0.55 0.00 -1.26 -5.04 105.19 107.41 1hfp n GLY 164 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1hfp n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfp s VAL 165 N -3.06 1.95 0.25 1.61 1.01 -0.99 -5.11 120.40 116.06 1hfp s VAL 165 Ca 0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 1hfp s VAL 165 Cb 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 36.38 34.37 1hfp s VAL 165 CO 0.00 0.34 1.44 0.18 0.00 0.00 0.00 175.10 177.06 1hfp n LEU 166 N 4.61 3.31 0.01 3.92 4.32 -1.26 -4.57 117.00 127.35 1hfp n LEU 166 Ca -0.18 1.14 0.11 0.00 -0.02 0.00 0.00 56.01 57.06 1hfp n LEU 166 Cb 0.48 -1.46 0.04 0.00 -1.62 0.00 0.00 43.42 40.86 1hfp n LEU 166 CO 0.23 -0.38 0.07 -1.20 -1.22 0.00 0.00 177.39 174.90 1hfp n SER 167 N 2.20 0.65 -4.94 -1.43 7.64 -1.26 -4.46 113.62 112.03 1hfp n SER 167 Ca 0.11 -0.37 -0.24 0.00 1.01 0.00 0.00 58.87 59.38 1hfp n SER 167 Cb 0.32 0.74 -0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1hfp n SER 167 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1hfp s ASP 168 N -3.56 6.18 0.18 6.43 -4.77 -1.26 -4.92 116.67 114.95 1hfp s ASP 168 Ca 0.06 0.52 -0.31 0.00 -3.30 0.00 0.00 52.55 49.52 1hfp s ASP 168 Cb 0.15 -1.97 -0.09 0.00 -1.09 0.00 0.00 42.92 39.93 1hfp s ASP 168 CO 0.80 -0.46 1.41 -0.69 0.70 0.00 0.00 175.17 176.93 1hfp s VAL 169 N -2.47 2.97 0.36 2.11 1.01 -1.26 -4.71 120.40 118.41 1hfp s VAL 169 Ca 0.44 0.75 0.08 0.00 0.00 0.00 0.00 61.98 63.25 1hfp s VAL 169 Cb -0.10 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1hfp s VAL 169 CO 0.38 0.09 0.29 -1.10 0.00 0.00 0.00 175.10 174.77 1hfp s GLN 170 N 0.35 2.60 -0.17 2.72 -1.52 0.78 -4.96 119.66 119.45 1hfp s GLN 170 Ca 0.62 -1.42 -0.09 0.00 -1.95 0.00 0.00 55.36 52.52 1hfp s GLN 170 Cb -0.39 -2.39 0.06 0.00 -0.22 0.00 0.00 33.01 30.07 1hfp s GLN 170 CO 0.36 0.00 0.41 -2.00 -0.25 0.00 0.00 175.29 173.82 1hfp s GLU 171 N -4.01 0.39 -0.15 2.91 2.12 -1.26 -1.67 118.70 117.03 1hfp s GLU 171 Ca 0.43 0.83 -0.12 0.00 0.36 0.00 0.00 54.97 56.46 1hfp s GLU 171 Cb -0.04 0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.41 1hfp s GLU 171 CO 0.26 -0.17 0.39 -2.00 -0.54 0.00 0.00 175.26 173.20 1hfp s GLU 172 N 1.57 0.43 -1.27 4.30 2.12 0.11 -4.83 118.70 121.13 1hfp s GLU 172 Ca -0.08 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1hfp s GLU 172 Cb -0.09 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.46 1hfp s GLU 172 CO -0.13 -0.08 0.00 1.63 -0.54 0.00 0.00 175.26 176.14 1hfp n LYS 173 N 3.23 -1.66 -2.12 4.30 5.02 -1.26 0.85 118.16 126.51 1hfp n LYS 173 Ca -0.16 0.71 -0.12 0.00 -2.02 0.00 0.00 58.31 56.72 1hfp n LYS 173 Cb 0.57 -5.11 -0.01 0.00 -0.02 0.00 0.00 35.03 30.46 1hfp n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hfp n GLY 174 N -0.49 0.05 3.38 0.72 0.00 -1.26 -5.02 105.19 102.57 1hfp n GLY 174 Ca -0.14 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1hfp n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfp s ILE 175 N -2.59 3.40 -0.04 -0.61 1.01 0.25 -5.11 121.20 117.51 1hfp s ILE 175 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 1hfp s ILE 175 Cb 0.00 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1hfp s ILE 175 CO 0.00 0.48 0.38 -0.54 0.00 0.00 0.00 174.94 175.26 1hfp s LYS 176 N 0.80 3.97 0.15 2.79 1.02 -1.26 -0.71 119.74 126.50 1hfp s LYS 176 Ca -0.02 0.34 -0.08 0.00 0.02 0.00 0.00 55.97 56.22 1hfp s LYS 176 Cb -0.15 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1hfp s LYS 176 CO 0.01 0.59 0.25 1.52 -0.92 0.00 0.00 175.35 176.80 1hfp s TYR 177 N -0.71 0.39 0.03 3.18 -0.85 -0.67 -0.00 117.35 118.72 1hfp s TYR 177 Ca 0.23 -0.77 -0.03 0.00 -0.52 0.00 0.00 57.07 55.98 1hfp s TYR 177 Cb -0.16 -0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.07 1hfp s TYR 177 CO 0.11 -0.67 0.02 -1.59 -1.52 0.00 0.00 175.55 171.90 1hfp s LYS 178 N -3.96 0.45 -0.19 -3.49 -2.85 -0.56 -0.16 119.74 108.99 1hfp s LYS 178 Ca 0.16 -0.72 -0.09 0.00 -1.00 0.00 0.00 55.97 54.31 1hfp s LYS 178 Cb 0.04 0.17 -0.05 0.00 -2.06 0.00 0.00 37.83 35.93 1hfp s LYS 178 CO -0.02 -0.09 0.13 -0.06 0.10 0.00 0.00 175.35 175.41 1hfp s PHE 179 N -2.14 3.43 0.08 1.78 0.08 -1.26 0.10 117.98 120.06 1hfp s PHE 179 Ca -0.09 0.35 0.06 0.00 0.12 0.00 0.00 56.93 57.37 1hfp s PHE 179 Cb -0.05 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 1hfp s PHE 179 CO -0.03 0.35 -0.17 -1.21 -0.10 0.00 0.00 175.22 174.06 1hfp s GLU 180 N 0.15 0.94 -0.07 0.44 2.02 0.68 -4.84 118.70 118.02 1hfp s GLU 180 Ca 0.09 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1hfp s GLU 180 Cb -0.11 -1.04 0.02 0.00 0.10 0.00 0.00 34.13 33.10 1hfp s GLU 180 CO -0.01 0.24 -0.06 0.54 0.02 0.00 0.00 175.26 175.99 1hfp s VAL 181 N -1.22 0.77 0.02 2.63 0.11 -1.26 -0.24 120.40 121.21 1hfp s VAL 181 Ca 0.01 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 58.94 1hfp s VAL 181 Cb -0.10 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1hfp s VAL 181 CO 0.03 0.30 -0.20 -0.31 -3.33 0.00 0.00 175.10 171.59 1hfp s TYR 182 N 1.32 2.51 -0.01 1.54 1.51 -0.38 -0.13 117.35 123.71 1hfp s TYR 182 Ca -0.04 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1hfp s TYR 182 Cb -0.14 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1hfp s TYR 182 CO -0.03 0.18 -0.14 -2.00 -1.11 0.00 0.00 175.55 172.46 1hfp s GLU 183 N -1.19 1.11 0.14 -0.62 2.12 -0.64 -0.67 118.70 118.95 1hfp s GLU 183 Ca 0.13 -0.51 0.05 0.00 0.36 0.00 0.00 54.97 55.00 1hfp s GLU 183 Cb -0.10 -1.08 -0.04 0.00 0.26 0.00 0.00 34.13 33.16 1hfp s GLU 183 CO 0.03 0.30 -0.12 0.21 -0.54 0.00 0.00 175.26 175.13 1hfp s LYS 184 N -0.37 1.06 -0.30 4.30 2.20 -0.57 -0.85 119.74 125.21 1hfp s LYS 184 Ca 0.05 -1.36 -0.10 0.00 -0.36 0.00 0.00 55.97 54.21 1hfp s LYS 184 Cb -0.05 -0.79 0.18 0.00 -1.51 0.00 0.00 37.83 35.65 1hfp s LYS 184 CO -0.00 0.13 0.95 1.21 -0.36 0.00 0.00 175.35 177.27 1hfp s ASN 185 N -2.84 -0.68 0.00 1.43 3.04 -1.25 -2.27 114.94 112.37 1hfp s ASN 185 Ca 0.13 0.37 0.00 0.00 0.04 0.00 0.00 52.86 53.40 1hfp s ASN 185 Cb -0.01 1.55 0.00 0.00 -1.54 0.00 0.00 41.25 41.24 1hfp s ASN 185 CO 0.02 -0.13 0.00 -0.90 -3.04 0.00 0.00 177.10 173.06