#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhn n PRO 11 N 0.00 0.04 -3.66 0.00 -0.04 -1.26 -4.76 135.00 125.32 1fhn n PRO 11 Ca 0.00 0.06 -0.25 0.00 -0.04 0.00 0.00 63.50 63.27 1fhn n PRO 11 Cb 0.00 -1.55 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 1fhn n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1fhn s LEU 12 N -3.26 0.47 0.13 1.53 2.96 -1.26 -0.50 118.68 118.75 1fhn s LEU 12 Ca 0.13 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1fhn s LEU 12 Cb 0.17 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.52 1fhn s LEU 12 CO 0.52 -0.31 -0.23 0.00 -1.32 0.00 0.00 176.35 175.01 1fhn s MET 13 N 2.08 1.29 -0.03 1.98 0.00 0.93 -4.46 119.30 121.09 1fhn s MET 13 Ca 0.02 -1.31 0.07 0.00 0.00 0.00 0.00 55.69 54.47 1fhn s MET 13 Cb -0.15 -1.60 -0.02 0.00 0.00 0.00 0.00 34.83 33.07 1fhn s MET 13 CO -0.07 0.36 -0.24 0.08 0.00 0.00 0.00 175.02 175.15 1fhn s VAL 14 N -1.36 1.89 -0.02 5.16 1.01 -0.82 -0.56 120.40 125.70 1fhn s VAL 14 Ca 0.12 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1fhn s VAL 14 Cb -0.09 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1fhn s VAL 14 CO 0.06 0.53 -0.04 -0.75 0.00 0.00 0.00 175.10 174.90 1fhn s LYS 15 N -0.44 0.60 -0.08 2.72 2.20 -0.12 -1.24 119.74 123.37 1fhn s LYS 15 Ca 0.06 -0.13 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1fhn s LYS 15 Cb -0.10 -0.62 0.02 0.00 -1.51 0.00 0.00 37.83 35.62 1fhn s LYS 15 CO 0.00 0.00 -0.10 0.08 -0.36 0.00 0.00 175.35 174.97 1fhn s VAL 16 N 0.46 1.07 0.16 4.02 1.01 -0.21 -0.79 120.40 126.12 1fhn s VAL 16 Ca -0.06 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 61.63 1fhn s VAL 16 Cb -0.09 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1fhn s VAL 16 CO -0.00 0.35 -0.24 -0.76 0.00 0.00 0.00 175.10 174.45 1fhn s LEU 17 N 1.02 2.38 -0.32 3.92 1.43 -0.15 -0.85 118.68 126.11 1fhn s LEU 17 Ca -0.08 -0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1fhn s LEU 17 Cb -0.15 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 44.97 1fhn s LEU 17 CO -0.00 0.12 0.12 -0.62 0.23 0.00 0.00 176.35 176.20 1fhn s ASP 18 N -2.36 5.36 0.00 2.29 -1.08 0.48 -0.71 116.67 120.65 1fhn s ASP 18 Ca 0.16 -0.81 0.29 0.00 -0.52 0.00 0.00 52.55 51.66 1fhn s ASP 18 Cb -0.09 -1.93 1.21 0.00 -1.46 0.00 0.00 42.92 40.65 1fhn s ASP 18 CO 0.07 -0.26 1.86 0.00 0.52 0.00 0.00 175.17 177.37 1fhn n ALA 19 N 4.90 2.73 0.07 3.66 0.00 -0.29 -1.35 120.51 130.23 1fhn n ALA 19 Ca -0.13 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.85 1fhn n ALA 19 Cb 0.47 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 1fhn n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fhn h VAL 20 N 0.34 0.94 0.00 0.00 2.07 -1.94 -3.39 116.25 114.26 1fhn h VAL 20 Ca 0.00 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1fhn h VAL 20 Cb 0.38 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1fhn h VAL 20 CO 0.00 0.86 -0.83 0.54 0.02 0.00 0.00 177.57 178.16 1fhn n ARG 21 N -3.58 2.00 -2.96 1.57 1.74 -1.23 -5.00 116.66 109.20 1fhn n ARG 21 Ca -0.24 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.70 1fhn n ARG 21 Cb 1.07 -1.20 0.06 0.00 -1.02 0.00 0.00 32.46 31.37 1fhn n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fhn n GLY 22 N 1.39 -0.06 3.38 -0.13 0.00 -0.46 -5.03 105.19 104.28 1fhn n GLY 22 Ca 0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1fhn n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fhn s SER 23 N -3.74 0.04 0.65 1.61 1.04 -1.01 -4.99 113.70 107.29 1fhn s SER 23 Ca 0.07 -1.18 -0.18 0.00 0.48 0.00 0.00 55.95 55.15 1fhn s SER 23 Cb -0.03 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1fhn s SER 23 CO 0.46 -0.98 1.24 -2.84 0.98 0.00 0.00 173.24 172.11 1fhn s PRO 24 N -4.09 2.60 -0.48 4.02 0.02 -1.26 -0.39 135.00 135.41 1fhn s PRO 24 Ca 0.31 1.90 -0.20 0.00 0.02 0.00 0.00 61.00 63.04 1fhn s PRO 24 Cb 0.03 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.73 1fhn s PRO 24 CO 0.11 -1.52 0.63 0.00 -0.33 0.00 0.00 177.00 175.89 1fhn s ALA 25 N -1.61 3.36 -0.04 -1.55 0.00 -0.03 -4.58 121.76 117.31 1fhn s ALA 25 Ca 0.79 -1.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1fhn s ALA 25 Cb -0.33 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1fhn s ALA 25 CO 0.39 -1.93 0.23 0.42 0.00 0.00 0.00 175.76 174.87 1fhn s ILE 26 N 2.72 5.36 -1.31 0.00 1.01 -1.26 -4.29 121.20 123.42 1fhn s ILE 26 Ca 0.18 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 1fhn s ILE 26 Cb -0.17 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1fhn s ILE 26 CO 0.15 0.46 0.21 0.59 0.00 0.00 0.00 174.94 176.34 1fhn n ASN 27 N 1.43 -4.96 -4.76 3.58 4.13 0.13 -4.93 115.26 109.90 1fhn n ASN 27 Ca -0.14 -0.11 -0.39 0.00 1.68 0.00 0.00 54.58 55.63 1fhn n ASN 27 Cb 0.53 -3.96 -0.06 0.00 -1.54 0.00 0.00 39.78 34.76 1fhn n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1fhn s VAL 28 N -2.91 4.97 0.22 2.41 1.01 -1.26 -4.69 120.40 120.15 1fhn s VAL 28 Ca 0.10 1.20 -0.27 0.00 0.00 0.00 0.00 61.98 63.02 1fhn s VAL 28 Cb -0.05 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1fhn s VAL 28 CO 0.13 0.40 0.85 0.00 0.00 0.00 0.00 175.10 176.47 1fhn s ALA 29 N -0.01 3.38 -0.06 5.51 0.00 -1.26 -1.19 121.76 128.13 1fhn s ALA 29 Ca 0.30 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1fhn s ALA 29 Cb -0.18 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1fhn s ALA 29 CO 0.16 0.25 -0.11 0.08 0.00 0.00 0.00 175.76 176.14 1fhn s VAL 30 N -1.25 1.06 -0.05 0.00 1.01 -0.03 -1.32 120.40 119.82 1fhn s VAL 30 Ca 0.40 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1fhn s VAL 30 Cb -0.23 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1fhn s VAL 30 CO 0.28 0.34 -0.24 -1.00 0.00 0.00 0.00 175.10 174.47 1fhn s HIS 31 N 0.64 2.44 -0.06 5.22 3.76 -0.18 -1.64 115.29 125.47 1fhn s HIS 31 Ca -0.13 -0.61 0.06 0.00 -0.15 0.00 0.00 55.06 54.23 1fhn s HIS 31 Cb -0.15 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1fhn s HIS 31 CO 0.03 -0.14 -0.25 0.08 -0.85 0.00 0.00 174.74 173.61 1fhn s VAL 32 N -0.31 2.05 0.08 -0.90 1.01 0.27 0.69 120.40 123.30 1fhn s VAL 32 Ca 0.01 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.00 1fhn s VAL 32 Cb -0.13 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1fhn s VAL 32 CO 0.02 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.15 1fhn s PHE 33 N -0.12 1.60 -0.04 5.22 0.08 0.02 -0.47 117.98 124.27 1fhn s PHE 33 Ca -0.05 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 56.64 1fhn s PHE 33 Cb -0.14 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.38 1fhn s PHE 33 CO 0.04 0.13 -0.17 0.50 -0.10 0.00 0.00 175.22 175.62 1fhn s ARG 34 N -1.65 2.39 -0.07 0.44 3.52 -0.50 -0.34 118.95 122.74 1fhn s ARG 34 Ca 0.04 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 1fhn s ARG 34 Cb -0.10 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.97 1fhn s ARG 34 CO 0.03 0.60 1.31 0.21 -0.81 0.00 0.00 175.30 176.64 1fhn s LYS 35 N -0.75 4.29 0.42 5.12 2.20 0.20 -1.31 119.74 129.91 1fhn s LYS 35 Ca 0.11 1.79 -0.04 0.00 -0.36 0.00 0.00 55.97 57.48 1fhn s LYS 35 Cb -0.10 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1fhn s LYS 35 CO 0.00 -0.58 0.69 0.00 -0.36 0.00 0.00 175.35 175.11 1fhn s ALA 36 N 2.73 3.50 -1.83 3.13 0.00 0.82 -4.71 121.76 125.41 1fhn s ALA 36 Ca 0.59 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1fhn s ALA 36 Cb -0.26 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1fhn s ALA 36 CO 0.22 -0.16 0.63 0.00 0.00 0.00 0.00 175.76 176.44 1fhn n ALA 37 N -1.90 2.16 1.15 0.00 0.00 -1.26 -0.32 120.51 120.33 1fhn n ALA 37 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1fhn n ALA 37 Cb 0.55 -1.00 0.30 0.00 0.00 0.00 0.00 19.45 19.30 1fhn n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fhn n ASP 38 N -0.39 0.95 -2.25 0.00 9.92 -1.26 -4.91 116.55 118.61 1fhn n ASP 38 Ca 0.00 -0.77 -0.10 0.00 -0.53 0.00 0.00 54.79 53.39 1fhn n ASP 38 Cb 0.03 0.22 0.05 0.00 -0.64 0.00 0.00 41.12 40.78 1fhn n ASP 38 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1fhn n ASP 39 N -0.87 -2.80 -4.18 -2.24 10.43 0.56 -5.06 116.55 112.39 1fhn n ASP 39 Ca 0.10 -0.32 -0.24 0.00 2.57 0.00 0.00 54.79 56.90 1fhn n ASP 39 Cb 0.35 -2.96 -0.15 0.00 1.84 0.00 0.00 41.12 40.20 1fhn n ASP 39 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1fhn s THR 40 N -3.19 1.40 -0.35 -3.53 -1.32 -1.16 -4.91 115.64 102.58 1fhn s THR 40 Ca 0.10 -0.91 -0.24 0.00 -1.21 0.00 0.00 61.69 59.44 1fhn s THR 40 Cb -0.05 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.75 1fhn s THR 40 CO 0.39 0.27 0.81 0.26 -2.21 0.00 0.00 174.62 174.15 1fhn s TRP 41 N -0.59 3.13 -0.08 9.09 0.52 -1.26 -0.13 118.94 129.62 1fhn s TRP 41 Ca 0.06 0.66 -0.02 0.00 0.02 0.00 0.00 56.10 56.82 1fhn s TRP 41 Cb -0.07 -3.41 -0.03 0.00 -1.15 0.00 0.00 33.47 28.80 1fhn s TRP 41 CO 0.00 -0.71 0.01 -1.83 0.02 0.00 0.00 176.95 174.45 1fhn s GLU 42 N 3.14 3.01 0.39 4.98 -1.05 -0.42 -4.89 118.70 123.85 1fhn s GLU 42 Ca 0.33 -0.40 -0.26 0.00 -0.15 0.00 0.00 54.97 54.50 1fhn s GLU 42 Cb -0.13 -2.82 -0.11 0.00 -0.44 0.00 0.00 34.13 30.63 1fhn s GLU 42 CO 0.16 0.71 1.13 -2.30 0.95 0.00 0.00 175.26 175.91 1fhn n PRO 43 N 2.07 1.65 0.00 -4.83 -0.01 -1.26 -1.41 135.00 131.20 1fhn n PRO 43 Ca -0.18 0.58 0.00 0.00 -0.01 0.00 0.00 63.50 63.89 1fhn n PRO 43 Cb 0.54 -2.16 0.00 0.00 -0.01 0.00 0.00 33.50 31.87 1fhn n PRO 43 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 1fhn n PHE 44 N -0.17 0.00 -3.46 6.00 7.35 0.39 -4.77 117.46 122.80 1fhn n PHE 44 Ca 0.08 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 1fhn n PHE 44 Cb 0.38 0.15 -0.02 0.00 0.35 0.00 0.00 39.48 40.34 1fhn n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fhn s ALA 45 N -1.80 -1.65 0.23 3.13 0.00 -1.00 -5.01 121.76 115.67 1fhn s ALA 45 Ca 0.00 0.60 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 1fhn s ALA 45 Cb 0.00 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.92 1fhn s ALA 45 CO 0.00 -0.76 0.73 -1.54 0.00 0.00 0.00 175.76 174.19 1fhn s SER 46 N -2.69 -0.31 0.00 0.00 1.04 -1.26 -0.57 113.70 109.92 1fhn s SER 46 Ca 0.02 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1fhn s SER 46 Cb -0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1fhn s SER 46 CO -0.11 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.51 1fhn n GLY 47 N -0.44 -1.36 3.33 7.32 0.00 -0.65 -5.01 105.19 108.37 1fhn n GLY 47 Ca -0.07 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1fhn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fhn s LYS 48 N -1.86 1.76 0.41 1.61 1.02 -1.26 -0.85 119.74 120.57 1fhn s LYS 48 Ca 0.00 -1.07 -0.25 0.00 0.02 0.00 0.00 55.97 54.67 1fhn s LYS 48 Cb 0.00 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 1fhn s LYS 48 CO 0.00 0.50 1.18 0.95 -0.92 0.00 0.00 175.35 177.06 1fhn s THR 49 N -0.78 3.10 0.88 2.17 -4.23 -0.33 -4.82 115.64 111.62 1fhn s THR 49 Ca 0.11 0.91 -0.15 0.00 -1.18 0.00 0.00 61.69 61.38 1fhn s THR 49 Cb -0.10 -3.50 0.21 0.00 1.34 0.00 0.00 72.50 70.45 1fhn s THR 49 CO 0.02 0.07 0.93 -1.54 -0.54 0.00 0.00 174.62 173.56 1fhn n SER 50 N -0.04 -1.05 0.17 3.99 3.41 -0.38 -0.69 113.62 119.03 1fhn n SER 50 Ca 0.05 -1.17 0.13 0.00 -0.26 0.00 0.00 58.87 57.62 1fhn n SER 50 Cb 0.47 -0.79 0.60 0.00 -0.26 0.00 0.00 64.21 64.22 1fhn n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1fhn h GLU 51 N 0.00 0.00 -0.62 4.33 5.08 -1.94 -1.46 114.58 119.97 1fhn h GLU 51 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1fhn h GLU 51 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1fhn h GLU 51 CO 0.22 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.10 1fhn n SER 52 N -2.40 3.56 -0.39 1.42 3.41 -1.26 -4.81 113.62 113.15 1fhn n SER 52 Ca 0.00 -2.15 -0.05 0.00 -0.26 0.00 0.00 58.87 56.42 1fhn n SER 52 Cb 0.16 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 1fhn n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fhn n GLY 53 N 1.28 0.74 3.62 5.00 0.00 -0.55 -4.82 105.19 110.46 1fhn n GLY 53 Ca 0.21 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1fhn n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fhn s GLU 54 N -1.96 2.21 -0.10 1.61 2.02 -1.26 -1.04 118.70 120.18 1fhn s GLU 54 Ca 0.00 -1.40 -0.02 0.00 0.02 0.00 0.00 54.97 53.57 1fhn s GLU 54 Cb 0.00 -2.14 0.04 0.00 0.10 0.00 0.00 34.13 32.13 1fhn s GLU 54 CO 0.00 0.38 0.04 -1.17 0.02 0.00 0.00 175.26 174.53 1fhn s LEU 55 N -3.47 0.50 0.00 1.80 2.96 -0.38 -1.25 118.68 118.85 1fhn s LEU 55 Ca 0.30 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1fhn s LEU 55 Cb -0.07 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 1fhn s LEU 55 CO 0.19 -0.25 0.07 0.00 -1.32 0.00 0.00 176.35 175.03 1fhn n HIS 56 N 5.20 0.35 -1.41 5.38 1.44 -1.26 -1.94 115.22 122.99 1fhn n HIS 56 Ca -0.06 -1.88 -0.07 0.00 -2.01 0.00 0.00 57.72 53.70 1fhn n HIS 56 Cb 0.49 -0.08 -0.02 0.00 0.12 0.00 0.00 29.99 30.50 1fhn n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1fhn n GLY 57 N 0.24 0.72 0.18 -1.39 0.00 -1.26 -4.89 105.19 98.78 1fhn n GLY 57 Ca -0.08 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1fhn n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fhn h LEU 58 N 0.00 0.51 -8.33 0.99 3.38 -1.87 -3.48 115.31 106.52 1fhn h LEU 58 Ca -0.14 -0.35 -0.18 0.00 0.09 0.00 0.00 57.88 57.30 1fhn h LEU 58 Cb 0.59 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1fhn h LEU 58 CO 0.20 1.10 -0.01 0.28 0.09 0.00 0.00 178.44 180.10 1fhn s THR 59 N -3.58 0.00 0.33 0.22 -1.32 -1.26 -4.80 115.64 105.23 1fhn s THR 59 Ca -0.06 -1.37 0.09 0.00 -1.21 0.00 0.00 61.69 59.15 1fhn s THR 59 Cb 0.10 -2.75 -0.06 0.00 -1.51 0.00 0.00 72.50 68.28 1fhn s THR 59 CO 0.85 0.00 -0.10 0.42 -2.21 0.00 0.00 174.62 173.58 1fhn s THR 60 N -2.72 2.21 0.27 5.08 -4.23 -1.26 -4.55 115.64 110.45 1fhn s THR 60 Ca 0.25 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1fhn s THR 60 Cb -0.02 -2.60 0.27 0.00 1.34 0.00 0.00 72.50 71.49 1fhn s THR 60 CO 0.17 -0.23 1.83 -0.33 -0.54 0.00 0.00 174.62 175.52 1fhn h GLU 61 N 2.07 0.92 -0.15 3.99 3.07 -1.97 -0.28 114.58 122.23 1fhn h GLU 61 Ca -0.42 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.26 1fhn h GLU 61 Cb 1.25 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1fhn h GLU 61 CO 0.69 0.61 -0.44 1.49 -1.40 0.00 0.00 179.01 179.96 1fhn h GLU 62 N 0.95 0.36 0.00 2.33 4.81 -2.05 -3.18 114.58 117.80 1fhn h GLU 62 Ca 0.48 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1fhn h GLU 62 Cb 0.47 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1fhn h GLU 62 CO -0.27 0.74 -1.01 0.39 -0.73 0.00 0.00 179.01 178.13 1fhn n GLU 63 N -4.00 0.57 -2.11 1.92 1.02 -0.79 -4.54 120.64 112.71 1fhn n GLU 63 Ca -0.02 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 1fhn n GLU 63 Cb 0.52 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1fhn n GLU 63 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1fhn n PHE 64 N -2.59 3.97 -2.44 -0.32 7.35 -0.19 -4.96 117.46 118.29 1fhn n PHE 64 Ca 0.00 -2.93 -0.23 0.00 -0.76 0.00 0.00 57.45 53.53 1fhn n PHE 64 Cb 0.54 -2.55 0.05 0.00 0.35 0.00 0.00 39.48 37.87 1fhn n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1fhn s VAL 65 N 3.39 2.47 0.43 -2.13 -7.23 -1.26 -4.94 120.40 111.12 1fhn s VAL 65 Ca 0.49 -0.49 -0.24 0.00 -1.81 0.00 0.00 61.98 59.93 1fhn s VAL 65 Cb 0.10 -2.98 -0.10 0.00 0.56 0.00 0.00 36.38 33.95 1fhn s VAL 65 CO -0.02 0.00 1.09 -0.62 -0.31 0.00 0.00 175.10 175.24 1fhn n GLU 66 N -2.62 1.50 -3.73 4.82 1.02 -1.26 -4.91 120.64 115.46 1fhn n GLU 66 Ca 0.08 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1fhn n GLU 66 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1fhn n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fhn n GLY 67 N 1.07 -1.99 3.53 0.62 0.00 -1.13 -4.98 105.19 102.31 1fhn n GLY 67 Ca 0.09 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 1fhn n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fhn s ILE 68 N -2.42 4.09 0.13 -0.61 1.01 -1.26 -1.08 121.20 121.05 1fhn s ILE 68 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 60.46 1fhn s ILE 68 Cb 0.00 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1fhn s ILE 68 CO 0.00 0.49 -0.23 -0.31 0.00 0.00 0.00 174.94 174.89 1fhn s TYR 69 N 0.32 2.40 -0.08 3.97 1.51 0.88 -0.63 117.35 125.73 1fhn s TYR 69 Ca -0.02 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1fhn s TYR 69 Cb -0.14 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.43 1fhn s TYR 69 CO 0.02 0.36 -0.18 0.21 -1.11 0.00 0.00 175.55 174.86 1fhn s LYS 70 N -2.11 2.24 -0.22 -0.62 2.20 0.54 -1.35 119.74 120.42 1fhn s LYS 70 Ca 0.16 -0.62 -0.05 0.00 -0.36 0.00 0.00 55.97 55.09 1fhn s LYS 70 Cb -0.10 -1.78 -0.02 0.00 -1.51 0.00 0.00 37.83 34.42 1fhn s LYS 70 CO 0.08 0.12 -0.00 0.08 -0.36 0.00 0.00 175.35 175.27 1fhn s VAL 71 N 0.45 3.82 -0.16 4.02 1.01 0.25 -0.80 120.40 128.99 1fhn s VAL 71 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1fhn s VAL 71 Cb -0.16 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 1fhn s VAL 71 CO 0.06 0.41 -0.15 -0.70 0.00 0.00 0.00 175.10 174.71 1fhn s GLU 72 N 1.32 3.22 -0.18 2.72 2.12 0.22 -0.78 118.70 127.33 1fhn s GLU 72 Ca 0.04 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.59 1fhn s GLU 72 Cb -0.15 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 1fhn s GLU 72 CO 0.00 0.02 -0.06 0.42 -0.54 0.00 0.00 175.26 175.10 1fhn s ILE 73 N 0.82 3.50 -1.28 -3.70 1.01 0.17 -1.01 121.20 120.71 1fhn s ILE 73 Ca -0.05 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1fhn s ILE 73 Cb -0.15 -2.55 0.12 0.00 0.01 0.00 0.00 42.46 39.89 1fhn s ILE 73 CO -0.00 0.47 1.68 0.47 0.00 0.00 0.00 174.94 177.55 1fhn n ASP 74 N 4.06 4.97 0.14 3.58 10.43 -0.44 -1.18 116.55 138.12 1fhn n ASP 74 Ca -0.18 -2.95 0.02 0.00 2.57 0.00 0.00 54.79 54.25 1fhn n ASP 74 Cb 0.52 -1.65 0.11 0.00 1.84 0.00 0.00 41.12 41.94 1fhn n ASP 74 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1fhn h THR 75 N 4.91 1.02 -0.26 -3.53 1.35 -1.88 -3.22 112.91 111.30 1fhn h THR 75 Ca 0.40 -2.16 -0.05 0.00 -0.55 0.00 0.00 66.41 64.05 1fhn h THR 75 Cb 0.83 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 1fhn h THR 75 CO 1.43 0.53 -0.03 0.50 -0.25 0.00 0.00 175.52 177.70 1fhn h LYS 76 N 0.00 0.47 -0.48 4.72 3.64 -1.76 -2.07 116.57 121.09 1fhn h LYS 76 Ca -0.01 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1fhn h LYS 76 Cb 1.27 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1fhn h LYS 76 CO 0.07 0.66 0.32 0.77 -2.27 0.00 0.00 179.45 179.00 1fhn h SER 77 N 0.24 0.52 -0.16 4.20 0.02 -1.87 -1.73 113.55 114.76 1fhn h SER 77 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1fhn h SER 77 Cb 0.47 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1fhn h SER 77 CO 0.02 0.37 0.06 0.22 -1.14 0.00 0.00 176.83 176.36 1fhn h TYR 78 N 0.61 0.25 -0.58 3.45 3.20 -1.41 -1.59 116.97 120.91 1fhn h TYR 78 Ca 0.19 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 1fhn h TYR 78 Cb -0.00 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1fhn h TYR 78 CO -0.00 0.33 -0.04 -1.49 -1.64 0.00 0.00 178.16 175.32 1fhn h TRP 79 N 0.10 1.16 -0.17 -3.82 4.06 -1.24 -2.84 115.95 113.21 1fhn h TRP 79 Ca 0.05 -0.22 -0.05 0.00 2.06 0.00 0.00 58.89 60.73 1fhn h TRP 79 Cb 0.19 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1fhn h TRP 79 CO -0.01 1.04 -0.13 0.87 -3.56 0.00 0.00 178.44 176.65 1fhn h LYS 80 N 0.95 0.27 0.00 0.49 1.57 -1.23 0.85 116.57 119.47 1fhn h LYS 80 Ca 0.16 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1fhn h LYS 80 Cb 0.61 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1fhn h LYS 80 CO 0.04 0.40 -0.01 0.00 -0.57 0.00 0.00 179.45 179.31 1fhn h ALA 81 N 1.62 1.63 -0.31 3.86 0.00 -1.04 -1.38 119.26 123.64 1fhn h ALA 81 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fhn h ALA 81 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1fhn h ALA 81 CO 0.02 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1fhn n LEU 82 N -4.02 3.06 -1.12 0.00 4.77 0.19 -4.94 117.00 114.94 1fhn n LEU 82 Ca -0.03 -1.28 -0.10 0.00 -0.03 0.00 0.00 56.01 54.57 1fhn n LEU 82 Cb 0.10 -0.20 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1fhn n LEU 82 CO 0.29 0.64 -0.12 0.61 -1.33 0.00 0.00 177.39 177.48 1fhn n GLY 83 N 1.42 -0.03 3.37 -0.72 0.00 -0.52 -5.02 105.19 103.69 1fhn n GLY 83 Ca 0.18 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1fhn n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fhn s ILE 84 N -2.49 2.78 -0.31 -0.61 1.01 -0.57 -5.02 121.20 115.98 1fhn s ILE 84 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 1fhn s ILE 84 Cb -0.00 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1fhn s ILE 84 CO 0.01 0.56 0.88 -0.55 0.00 0.00 0.00 174.94 175.83 1fhn s SER 85 N -0.11 6.76 0.34 3.58 0.15 -1.26 -3.69 113.70 119.46 1fhn s SER 85 Ca -0.03 0.80 0.07 0.00 0.70 0.00 0.00 55.95 57.49 1fhn s SER 85 Cb -0.14 -2.45 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1fhn s SER 85 CO 0.04 -0.69 0.42 -2.16 1.20 0.00 0.00 173.24 172.05 1fhn s PRO 86 N 3.16 2.98 -0.18 5.44 0.04 -1.26 -4.91 135.00 140.27 1fhn s PRO 86 Ca 0.37 -1.11 -0.20 0.00 0.04 0.00 0.00 61.00 60.09 1fhn s PRO 86 Cb -0.14 -2.71 -0.21 0.00 0.04 0.00 0.00 34.50 31.48 1fhn s PRO 86 CO 0.13 0.05 0.31 0.35 0.04 0.00 0.00 177.00 177.88 1fhn h PHE 87 N 0.99 0.11 -3.80 0.56 3.57 -1.49 -3.48 116.94 113.39 1fhn h PHE 87 Ca -0.45 -0.08 -0.48 0.00 3.53 0.00 0.00 57.97 60.49 1fhn h PHE 87 Cb 1.26 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1fhn h PHE 87 CO 0.46 1.50 0.16 -1.01 -2.23 0.00 0.00 178.31 177.18 1fhn s HIS 88 N -2.39 3.39 0.21 0.41 3.76 -1.26 -4.97 115.29 114.44 1fhn s HIS 88 Ca -0.26 1.34 -0.00 0.00 -0.15 0.00 0.00 55.06 55.99 1fhn s HIS 88 Cb 0.05 -2.63 0.17 0.00 1.11 0.00 0.00 32.58 31.28 1fhn s HIS 88 CO 0.64 0.07 1.53 0.93 -0.85 0.00 0.00 174.74 177.06 1fhn h GLU 89 N 2.31 0.45 -1.90 1.40 4.39 -1.98 -3.39 114.58 115.86 1fhn h GLU 89 Ca -0.48 -0.29 0.26 0.00 0.34 0.00 0.00 59.36 59.19 1fhn h GLU 89 Cb 1.18 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.77 1fhn h GLU 89 CO 0.64 0.89 0.68 -3.38 -1.16 0.00 0.00 179.01 176.68 1fhn s HIS 90 N -3.94 -0.06 -0.02 4.33 -3.43 -1.26 -3.83 115.29 107.08 1fhn s HIS 90 Ca -0.06 -0.14 0.02 0.00 -0.80 0.00 0.00 55.06 54.08 1fhn s HIS 90 Cb 0.12 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.83 1fhn s HIS 90 CO 0.82 -0.54 -0.05 0.00 -2.00 0.00 0.00 174.74 172.98 1fhn s ALA 91 N -2.72 3.08 0.03 -1.38 0.00 -0.33 -4.90 121.76 115.55 1fhn s ALA 91 Ca 0.15 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1fhn s ALA 91 Cb 0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1fhn s ALA 91 CO -0.01 0.61 -0.13 -1.21 0.00 0.00 0.00 175.76 175.02 1fhn s GLU 92 N -1.29 0.93 -0.13 0.00 8.01 -1.26 -0.66 118.70 124.30 1fhn s GLU 92 Ca 0.16 -0.69 0.00 0.00 0.01 0.00 0.00 54.97 54.46 1fhn s GLU 92 Cb -0.11 -0.92 0.02 0.00 -4.31 0.00 0.00 34.13 28.81 1fhn s GLU 92 CO 0.06 0.23 -0.11 0.08 0.01 0.00 0.00 175.26 175.54 1fhn s VAL 93 N -0.75 1.30 -0.11 2.63 1.01 0.04 -4.97 120.40 119.54 1fhn s VAL 93 Ca 0.02 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1fhn s VAL 93 Cb -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1fhn s VAL 93 CO 0.01 0.41 -0.23 -0.69 0.00 0.00 0.00 175.10 174.60 1fhn s VAL 94 N 1.54 2.01 0.15 2.92 1.01 -1.26 -0.58 120.40 126.18 1fhn s VAL 94 Ca 0.04 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 1fhn s VAL 94 Cb -0.13 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1fhn s VAL 94 CO -0.09 0.55 0.38 0.72 0.00 0.00 0.00 175.10 176.66 1fhn s PHE 95 N 0.54 0.00 -0.14 5.22 -0.71 -0.46 -4.99 117.98 117.45 1fhn s PHE 95 Ca -0.14 -0.36 -0.13 0.00 -1.04 0.00 0.00 56.93 55.26 1fhn s PHE 95 Cb -0.17 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 1fhn s PHE 95 CO 0.05 -0.75 0.29 0.99 -1.34 0.00 0.00 175.22 174.45 1fhn s THR 96 N -3.87 5.29 -0.17 -4.49 2.01 -1.26 -0.09 115.64 113.07 1fhn s THR 96 Ca 0.08 0.54 -0.10 0.00 0.31 0.00 0.00 61.69 62.53 1fhn s THR 96 Cb 0.02 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1fhn s THR 96 CO -0.06 0.44 0.16 0.00 -0.69 0.00 0.00 174.62 174.47 1fhn s ALA 97 N 0.10 3.73 0.00 7.40 0.00 -0.24 -4.98 121.76 127.77 1fhn s ALA 97 Ca 0.17 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.51 1fhn s ALA 97 Cb -0.13 -2.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 1fhn s ALA 97 CO 0.05 0.29 -0.03 1.21 0.00 0.00 0.00 175.76 177.28 1fhn s ASN 98 N -0.07 0.39 0.31 0.00 3.84 -1.26 -2.86 114.94 115.29 1fhn s ASN 98 Ca 0.12 -0.10 0.16 0.00 0.21 0.00 0.00 52.86 53.25 1fhn s ASN 98 Cb -0.12 -0.03 0.29 0.00 -0.55 0.00 0.00 41.25 40.84 1fhn s ASN 98 CO 0.01 0.01 1.55 0.44 -2.79 0.00 0.00 177.10 176.32 1fhn h ASP 99 N 5.93 0.00 0.00 -4.21 3.32 -1.98 -3.33 116.42 116.15 1fhn h ASP 99 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1fhn h ASP 99 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1fhn h ASP 99 CO 0.50 0.49 0.00 -1.20 -1.72 0.00 0.00 179.24 177.30 1fhn n SER 100 N -3.34 0.00 -3.04 6.45 7.64 -1.26 -4.75 113.62 115.31 1fhn n SER 100 Ca 0.01 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1fhn n SER 100 Cb 0.66 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1fhn n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fhn n GLY 101 N -0.89 -2.50 3.25 0.23 0.00 -1.25 -4.93 105.19 99.10 1fhn n GLY 101 Ca 0.00 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1fhn n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fhn n PRO 102 N -1.19 -1.09 0.00 1.61 -0.02 -1.26 -4.98 135.00 128.07 1fhn n PRO 102 Ca 0.00 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1fhn n PRO 102 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1fhn n PRO 102 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1fhn n ARG 103 N -1.18 0.71 -4.52 -0.52 1.85 -0.82 -4.86 116.66 107.31 1fhn n ARG 103 Ca 0.01 -0.27 -0.33 0.00 -1.00 0.00 0.00 57.85 56.26 1fhn n ARG 103 Cb 0.62 -0.73 -0.15 0.00 -1.05 0.00 0.00 32.46 31.15 1fhn n ARG 103 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1fhn s ARG 104 N -0.18 3.26 -0.18 2.89 6.06 -0.02 -4.72 118.95 126.06 1fhn s ARG 104 Ca 0.00 -0.73 -0.02 0.00 -2.50 0.00 0.00 55.73 52.49 1fhn s ARG 104 Cb 0.00 -2.66 -0.01 0.00 0.06 0.00 0.00 34.95 32.35 1fhn s ARG 104 CO 0.00 0.04 -0.10 0.71 -2.50 0.00 0.00 175.30 173.45 1fhn s TYR 105 N 0.78 2.87 -0.23 5.12 1.51 0.34 -1.23 117.35 126.51 1fhn s TYR 105 Ca -0.05 -0.95 -0.04 0.00 -1.01 0.00 0.00 57.07 55.02 1fhn s TYR 105 Cb -0.15 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.72 1fhn s TYR 105 CO 0.01 -0.47 -0.03 0.99 -1.11 0.00 0.00 175.55 174.93 1fhn s THR 106 N 1.03 3.31 -0.31 -0.71 2.01 -0.50 -0.05 115.64 120.42 1fhn s THR 106 Ca -0.01 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 1fhn s THR 106 Cb -0.15 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1fhn s THR 106 CO -0.02 0.34 0.19 -0.63 -0.69 0.00 0.00 174.62 173.81 1fhn s ILE 107 N 1.45 5.01 0.02 1.82 -1.09 0.27 -1.17 121.20 127.51 1fhn s ILE 107 Ca 0.04 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.29 1fhn s ILE 107 Cb -0.15 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1fhn s ILE 107 CO -0.03 0.09 -0.00 0.00 -1.23 0.00 0.00 174.94 173.77 1fhn s ALA 108 N 1.69 3.27 -0.04 9.38 0.00 -0.29 -0.95 121.76 134.82 1fhn s ALA 108 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1fhn s ALA 108 Cb -0.17 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1fhn s ALA 108 CO 0.09 0.66 -0.04 0.00 0.00 0.00 0.00 175.76 176.47 1fhn s ALA 109 N -1.14 0.63 -0.22 0.00 0.00 0.03 -1.50 121.76 119.55 1fhn s ALA 109 Ca 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 1fhn s ALA 109 Cb -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1fhn s ALA 109 CO 0.12 0.00 -0.03 -0.51 0.00 0.00 0.00 175.76 175.35 1fhn s LEU 110 N 0.85 2.98 -0.16 0.00 1.43 0.04 -0.97 118.68 122.85 1fhn s LEU 110 Ca -0.11 -0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 1fhn s LEU 110 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1fhn s LEU 110 CO 0.00 -0.02 0.04 -0.76 0.23 0.00 0.00 176.35 175.85 1fhn s LEU 111 N 1.46 3.71 0.19 1.79 1.43 0.11 -1.57 118.68 125.80 1fhn s LEU 111 Ca 0.05 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.28 1fhn s LEU 111 Cb -0.14 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1fhn s LEU 111 CO -0.02 0.20 -0.12 -0.44 0.23 0.00 0.00 176.35 176.21 1fhn s SER 112 N 0.18 2.25 0.29 2.29 0.01 0.03 -1.14 113.70 117.59 1fhn s SER 112 Ca 0.03 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.28 1fhn s SER 112 Cb -0.13 -0.08 0.57 0.00 0.21 0.00 0.00 66.02 66.60 1fhn s SER 112 CO 0.01 -0.25 1.84 -0.65 0.41 0.00 0.00 173.24 174.59 1fhn h PRO 113 N 2.63 0.95 -0.05 12.44 0.11 -1.99 -3.14 132.00 142.95 1fhn h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1fhn h PRO 113 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1fhn h PRO 113 CO 0.63 0.63 0.00 0.66 -0.21 0.00 0.00 178.00 179.71 1fhn n TYR 114 N -4.62 0.13 -3.64 0.65 4.02 -1.26 -1.16 117.16 111.28 1fhn n TYR 114 Ca 0.19 -0.80 -0.15 0.00 -0.01 0.00 0.00 57.90 57.13 1fhn n TYR 114 Cb 0.37 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.48 1fhn n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1fhn s SER 115 N -2.07 -0.48 0.04 7.72 0.15 -1.19 -4.99 113.70 112.88 1fhn s SER 115 Ca 0.23 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.42 1fhn s SER 115 Cb 0.19 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1fhn s SER 115 CO 0.03 -0.45 0.10 -0.72 1.20 0.00 0.00 173.24 173.40 1fhn s TYR 116 N -0.88 0.22 0.03 3.44 -0.85 -1.26 -0.79 117.35 117.25 1fhn s TYR 116 Ca -0.09 -0.56 0.08 0.00 -0.52 0.00 0.00 57.07 55.98 1fhn s TYR 116 Cb -0.03 -0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.14 1fhn s TYR 116 CO 0.06 -0.39 -0.23 -1.12 -1.52 0.00 0.00 175.55 172.35 1fhn s SER 117 N -2.27 2.75 0.03 -0.18 0.01 -0.61 -4.98 113.70 108.46 1fhn s SER 117 Ca -0.03 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.75 1fhn s SER 117 Cb 0.00 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1fhn s SER 117 CO -0.06 0.22 -0.10 0.28 0.41 0.00 0.00 173.24 173.99 1fhn s THR 118 N -0.74 0.80 0.03 1.44 -1.32 -1.26 -0.78 115.64 113.81 1fhn s THR 118 Ca 0.09 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.69 1fhn s THR 118 Cb -0.09 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1fhn s THR 118 CO 0.01 -0.12 -0.07 -0.32 -2.21 0.00 0.00 174.62 171.91 1fhn s MET 119 N -1.14 0.50 -0.08 7.08 -2.45 -0.56 -5.00 119.30 117.65 1fhn s MET 119 Ca -0.02 -0.55 0.05 0.00 -1.25 0.00 0.00 55.69 53.91 1fhn s MET 119 Cb -0.08 -0.34 -0.01 0.00 1.25 0.00 0.00 34.83 35.65 1fhn s MET 119 CO 0.01 0.08 -0.23 0.00 1.05 0.00 0.00 175.02 175.92 1fhn s ALA 120 N -0.92 2.22 -0.24 4.11 0.00 -1.26 -1.14 121.76 124.53 1fhn s ALA 120 Ca -0.06 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 1fhn s ALA 120 Cb -0.07 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 1fhn s ALA 120 CO 0.00 0.36 0.05 0.08 0.00 0.00 0.00 175.76 176.26 1fhn s VAL 121 N 0.05 4.19 -0.29 0.00 1.01 -0.32 -4.98 120.40 120.06 1fhn s VAL 121 Ca -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1fhn s VAL 121 Cb -0.15 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1fhn s VAL 121 CO 0.06 0.35 0.02 -0.69 0.00 0.00 0.00 175.10 174.84 1fhn s VAL 122 N 1.57 3.29 0.29 2.92 1.01 -1.26 -1.42 120.40 126.80 1fhn s VAL 122 Ca 0.06 -1.11 0.11 0.00 0.00 0.00 0.00 61.98 61.03 1fhn s VAL 122 Cb -0.15 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1fhn s VAL 122 CO 0.03 -0.00 -0.16 0.42 0.00 0.00 0.00 175.10 175.38 1fhn s THR 123 N 1.35 2.29 0.00 3.92 -4.23 -0.37 -4.88 115.64 113.71 1fhn s THR 123 Ca -0.02 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 1fhn s THR 123 Cb -0.18 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1fhn s THR 123 CO -0.01 -0.36 0.00 0.59 -0.54 0.00 0.00 174.62 174.30