#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr3 s LYS 2 N 0.00 4.24 -0.10 0.03 1.02 -1.26 -5.06 119.74 118.61 1fr3 s LYS 2 Ca 0.00 1.22 0.04 0.00 0.02 0.00 0.00 55.97 57.25 1fr3 s LYS 2 Cb 0.00 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1fr3 s LYS 2 CO 0.00 -0.03 -0.22 0.42 -0.92 0.00 0.00 175.35 174.60 1fr3 s ILE 3 N -2.00 1.90 0.22 2.17 1.01 -1.26 -5.03 121.20 118.21 1fr3 s ILE 3 Ca 0.60 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 1fr3 s ILE 3 Cb -0.13 -1.66 0.18 0.00 0.01 0.00 0.00 42.46 40.86 1fr3 s ILE 3 CO 0.17 0.52 1.83 0.77 0.00 0.00 0.00 174.94 178.24 1fr3 h SER 4 N 6.78 1.06 -0.88 3.58 4.64 -2.02 -3.42 113.55 123.28 1fr3 h SER 4 Ca -0.21 -0.11 -0.76 0.00 -0.47 0.00 0.00 61.79 60.23 1fr3 h SER 4 Cb 1.23 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1fr3 h SER 4 CO 0.47 0.87 1.10 0.61 -0.87 0.00 0.00 176.83 179.01 1fr3 n GLY 5 N -1.07 0.35 0.14 -0.77 0.00 -1.26 -4.81 105.19 97.77 1fr3 n GLY 5 Ca 0.08 1.00 0.02 0.00 0.00 0.00 0.00 46.02 47.13 1fr3 n GLY 5 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fr3 h ARG 6 N 8.45 0.00 -5.11 1.61 2.47 -1.82 -3.44 114.38 116.54 1fr3 h ARG 6 Ca -0.31 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.75 1fr3 h ARG 6 Cb 1.36 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.52 1fr3 h ARG 6 CO 1.02 0.54 -0.13 -0.80 0.56 0.00 0.00 179.97 181.16 1fr3 s ASN 7 N -6.50 6.26 -0.20 7.04 0.01 -0.79 -5.00 114.94 115.76 1fr3 s ASN 7 Ca 0.02 -0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 51.95 1fr3 s ASN 7 Cb 0.09 -2.25 0.02 0.00 0.41 0.00 0.00 41.25 39.52 1fr3 s ASN 7 CO 0.74 -0.48 -0.15 -0.54 -1.51 0.00 0.00 177.10 175.15 1fr3 s LYS 8 N 2.28 3.02 -0.25 -0.60 3.01 -1.26 -1.12 119.74 124.82 1fr3 s LYS 8 Ca 0.16 -0.83 -0.00 0.00 -1.01 0.00 0.00 55.97 54.29 1fr3 s LYS 8 Cb -0.16 -2.71 0.03 0.00 -1.01 0.00 0.00 37.83 33.99 1fr3 s LYS 8 CO 0.13 -0.24 -0.09 -0.51 0.51 0.00 0.00 175.35 175.16 1fr3 s LEU 9 N 1.32 3.15 -0.44 3.17 1.02 -0.04 -4.95 118.68 121.92 1fr3 s LEU 9 Ca 0.04 -0.99 -0.29 0.00 0.02 0.00 0.00 54.13 52.91 1fr3 s LEU 9 Cb -0.14 -1.62 0.02 0.00 0.02 0.00 0.00 46.19 44.47 1fr3 s LEU 9 CO -0.10 -0.13 1.31 -1.61 0.02 0.00 0.00 176.35 175.84 1fr3 s GLU 10 N 1.26 3.63 0.37 1.70 2.02 -1.26 -0.69 118.70 125.73 1fr3 s GLU 10 Ca -0.02 0.80 0.03 0.00 0.02 0.00 0.00 54.97 55.81 1fr3 s GLU 10 Cb -0.17 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 1fr3 s GLU 10 CO -0.06 -1.50 0.11 0.00 0.02 0.00 0.00 175.26 173.83 1fr3 s ALA 11 N 5.08 2.61 -0.07 5.21 0.00 -0.04 -4.68 121.76 129.87 1fr3 s ALA 11 Ca 0.56 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1fr3 s ALA 11 Cb -0.11 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1fr3 s ALA 11 CO 0.32 -0.35 -0.20 0.99 0.00 0.00 0.00 175.76 176.52 1fr3 s THR 12 N -3.30 1.74 0.10 0.00 2.01 -0.53 -1.07 115.64 114.59 1fr3 s THR 12 Ca 0.29 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 1fr3 s THR 12 Cb 0.05 -1.51 -0.07 0.00 0.01 0.00 0.00 72.50 70.98 1fr3 s THR 12 CO 0.15 0.49 1.35 -0.69 -0.69 0.00 0.00 174.62 175.23 1fr3 s VAL 13 N 0.24 3.46 -0.18 3.82 1.01 -0.18 -0.65 120.40 127.92 1fr3 s VAL 13 Ca -0.12 1.05 0.02 0.00 0.00 0.00 0.00 61.98 62.93 1fr3 s VAL 13 Cb -0.15 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 1fr3 s VAL 13 CO 0.05 0.08 -0.16 0.29 0.00 0.00 0.00 175.10 175.37 1fr3 n LYS 14 N 3.96 0.47 -3.70 2.72 5.02 0.16 -0.33 118.16 126.45 1fr3 n LYS 14 Ca 0.11 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.36 1fr3 n LYS 14 Cb 0.43 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 1fr3 n LYS 14 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fr3 s GLU 15 N -2.36 0.71 -0.06 1.97 2.12 -1.03 -4.76 118.70 115.29 1fr3 s GLU 15 Ca -0.24 0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.20 1fr3 s GLU 15 Cb 0.06 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.80 1fr3 s GLU 15 CO 0.42 -0.18 -0.07 0.42 -0.54 0.00 0.00 175.26 175.30 1fr3 s ILE 16 N -0.92 0.79 -0.20 -3.70 1.01 -1.26 -0.63 121.20 116.29 1fr3 s ILE 16 Ca -0.10 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1fr3 s ILE 16 Cb -0.04 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.69 1fr3 s ILE 16 CO 0.05 0.29 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 1fr3 s VAL 17 N 0.93 1.95 -0.20 2.92 1.01 -0.56 -4.98 120.40 121.47 1fr3 s VAL 17 Ca -0.10 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 1fr3 s VAL 17 Cb -0.15 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1fr3 s VAL 17 CO 0.01 0.34 0.25 -0.54 0.00 0.00 0.00 175.10 175.15 1fr3 s LYS 18 N 1.29 4.17 0.00 2.72 1.02 -1.26 -0.61 119.74 127.07 1fr3 s LYS 18 Ca 0.01 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.95 1fr3 s LYS 18 Cb -0.15 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1fr3 s LYS 18 CO -0.10 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1fr3 n GLY 19 N 3.81 2.36 0.10 -3.33 0.00 0.11 -5.00 105.19 103.24 1fr3 n GLY 19 Ca -0.13 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.76 1fr3 n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fr3 h THR 20 N 0.05 1.57 0.00 2.61 2.02 -2.03 -3.41 112.91 113.73 1fr3 h THR 20 Ca 0.00 -2.77 0.00 0.00 0.77 0.00 0.00 66.41 64.41 1fr3 h THR 20 Cb 0.00 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1fr3 h THR 20 CO 0.00 0.79 -0.75 0.52 0.37 0.00 0.00 175.52 176.45 1fr3 n VAL 21 N -3.58 0.00 -3.92 3.16 0.31 -1.26 -4.92 118.33 108.12 1fr3 n VAL 21 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.11 1fr3 n VAL 21 Cb 0.79 -0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 32.94 1fr3 n VAL 21 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1fr3 s MET 22 N -1.86 2.86 -0.01 5.55 -1.94 -1.26 -1.01 119.30 121.64 1fr3 s MET 22 Ca 0.00 -1.16 0.02 0.00 -1.71 0.00 0.00 55.69 52.84 1fr3 s MET 22 Cb 0.00 -2.55 -0.01 0.00 2.01 0.00 0.00 34.83 34.28 1fr3 s MET 22 CO 0.00 0.23 -0.07 0.00 -0.01 0.00 0.00 175.02 175.17 1fr3 s ALA 23 N -2.21 0.57 -0.22 3.03 0.00 0.11 0.08 121.76 123.12 1fr3 s ALA 23 Ca 0.38 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 1fr3 s ALA 23 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1fr3 s ALA 23 CO 0.26 0.14 0.38 0.21 0.00 0.00 0.00 175.76 176.75 1fr3 s LYS 24 N -0.16 4.14 -0.33 0.00 2.20 0.22 -1.72 119.74 124.09 1fr3 s LYS 24 Ca 0.03 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1fr3 s LYS 24 Cb -0.03 -3.56 0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1fr3 s LYS 24 CO -0.00 -0.08 0.09 0.42 -0.36 0.00 0.00 175.35 175.42 1fr3 s ILE 25 N 1.44 3.61 -0.18 5.43 -1.09 0.37 -1.50 121.20 129.28 1fr3 s ILE 25 Ca 0.18 -1.20 -0.15 0.00 -2.23 0.00 0.00 60.65 57.24 1fr3 s ILE 25 Cb -0.15 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1fr3 s ILE 25 CO 0.08 -0.18 0.35 -0.69 -1.23 0.00 0.00 174.94 173.28 1fr3 s VAL 26 N 1.37 5.25 0.21 2.92 1.01 0.20 -1.38 120.40 129.97 1fr3 s VAL 26 Ca -0.02 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.65 1fr3 s VAL 26 Cb -0.20 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1fr3 s VAL 26 CO 0.02 0.32 -0.06 -0.04 0.00 0.00 0.00 175.10 175.34 1fr3 s MET 27 N 0.89 1.28 -0.14 2.72 -1.94 -0.18 0.35 119.30 122.28 1fr3 s MET 27 Ca 0.18 -1.61 -0.00 0.00 -1.71 0.00 0.00 55.69 52.55 1fr3 s MET 27 Cb -0.14 -0.75 -0.01 0.00 2.01 0.00 0.00 34.83 35.94 1fr3 s MET 27 CO 0.06 0.01 -0.14 0.34 -0.01 0.00 0.00 175.02 175.29 1fr3 s ASP 28 N -3.28 3.86 -0.31 3.03 -1.08 0.18 -0.66 116.67 118.40 1fr3 s ASP 28 Ca 0.24 -0.39 0.03 0.00 -0.52 0.00 0.00 52.55 51.90 1fr3 s ASP 28 Cb 0.04 -1.59 0.09 0.00 -1.46 0.00 0.00 42.92 39.99 1fr3 s ASP 28 CO 0.06 0.12 0.02 -0.47 0.52 0.00 0.00 175.17 175.42 1fr3 s TYR 29 N 0.60 3.27 -1.65 -5.34 5.04 0.39 -1.45 117.35 118.20 1fr3 s TYR 29 Ca -0.08 -2.60 -0.11 0.00 -2.44 0.00 0.00 57.07 51.84 1fr3 s TYR 29 Cb -0.16 -2.46 0.10 0.00 0.35 0.00 0.00 41.96 39.80 1fr3 s TYR 29 CO 0.03 -0.91 0.45 1.63 -1.34 0.00 0.00 175.55 175.41 1fr3 n LYS 30 N 4.40 -1.94 0.00 4.97 5.02 -1.26 -0.55 118.16 128.81 1fr3 n LYS 30 Ca -0.01 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1fr3 n LYS 30 Cb 0.42 -4.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.97 1fr3 n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fr3 n GLY 31 N -1.76 1.11 3.75 0.72 0.00 -1.26 -5.06 105.19 102.70 1fr3 n GLY 31 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1fr3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fr3 s THR 32 N -2.27 5.20 0.07 2.61 2.01 0.29 -5.08 115.64 118.46 1fr3 s THR 32 Ca 0.00 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1fr3 s THR 32 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1fr3 s THR 32 CO 0.00 0.51 0.89 -0.70 -0.69 0.00 0.00 174.62 174.64 1fr3 s GLU 33 N -0.16 4.61 0.11 4.92 2.12 -1.26 -0.46 118.70 128.57 1fr3 s GLU 33 Ca 0.09 1.31 0.08 0.00 0.36 0.00 0.00 54.97 56.82 1fr3 s GLU 33 Cb -0.12 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1fr3 s GLU 33 CO 0.01 0.20 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.26 1fr3 s LEU 34 N 0.13 2.79 -0.07 2.70 1.43 0.16 -4.95 118.68 120.87 1fr3 s LEU 34 Ca 0.45 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1fr3 s LEU 34 Cb -0.22 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1fr3 s LEU 34 CO 0.27 0.18 -0.01 -0.69 0.23 0.00 0.00 176.35 176.33 1fr3 s VAL 35 N -1.16 0.48 0.01 -1.59 1.01 -1.26 -1.01 120.40 116.87 1fr3 s VAL 35 Ca 0.19 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1fr3 s VAL 35 Cb -0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1fr3 s VAL 35 CO 0.11 0.27 -0.24 0.00 0.00 0.00 0.00 175.10 175.24 1fr3 s ALA 36 N 1.81 2.32 -0.31 5.51 0.00 -0.48 -4.97 121.76 125.64 1fr3 s ALA 36 Ca 0.03 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1fr3 s ALA 36 Cb -0.13 -0.60 0.05 0.00 0.00 0.00 0.00 23.12 22.45 1fr3 s ALA 36 CO -0.05 0.54 0.01 0.00 0.00 0.00 0.00 175.76 176.26 1fr3 s ALA 37 N -0.74 2.83 0.41 0.00 0.00 -1.26 -0.48 121.76 122.53 1fr3 s ALA 37 Ca 0.11 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.28 1fr3 s ALA 37 Cb -0.10 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1fr3 s ALA 37 CO 0.01 -1.31 0.08 0.96 0.00 0.00 0.00 175.76 175.50 1fr3 s ILE 38 N 1.23 0.91 0.49 0.00 -4.36 -0.70 -4.93 121.20 113.84 1fr3 s ILE 38 Ca -0.04 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.16 1fr3 s ILE 38 Cb -0.20 -2.43 -0.09 0.00 1.25 0.00 0.00 42.46 41.00 1fr3 s ILE 38 CO -0.02 0.00 0.99 0.42 0.24 0.00 0.00 174.94 176.57 1fr3 s THR 39 N -3.13 4.30 0.47 8.37 -4.23 -1.26 0.07 115.64 120.23 1fr3 s THR 39 Ca 0.23 1.26 0.22 0.00 -1.18 0.00 0.00 61.69 62.22 1fr3 s THR 39 Cb 0.04 -3.60 0.26 0.00 1.34 0.00 0.00 72.50 70.54 1fr3 s THR 39 CO 0.12 -0.48 2.08 0.16 -0.54 0.00 0.00 174.62 175.97 1fr3 h ILE 40 N 1.30 0.79 -0.99 2.99 3.07 -1.32 -1.65 117.51 121.70 1fr3 h ILE 40 Ca -0.48 -0.44 0.08 0.00 1.55 0.00 0.00 64.86 65.58 1fr3 h ILE 40 Cb 1.19 1.26 -0.07 0.00 -0.27 0.00 0.00 36.82 38.93 1fr3 h ILE 40 CO 0.61 0.11 0.63 0.44 -1.05 0.00 0.00 178.15 178.89 1fr3 h ASP 41 N 0.00 0.98 -0.11 2.16 5.19 -1.92 -1.16 116.42 121.56 1fr3 h ASP 41 Ca -0.00 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.31 1fr3 h ASP 41 Cb 0.25 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1fr3 h ASP 41 CO 0.01 0.59 -0.34 0.28 -3.12 0.00 0.00 179.24 176.67 1fr3 h SER 42 N 1.10 0.63 -0.63 6.45 0.02 -1.68 0.03 113.55 119.47 1fr3 h SER 42 Ca 0.45 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1fr3 h SER 42 Cb 0.28 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1fr3 h SER 42 CO -0.21 0.92 0.39 0.58 -1.14 0.00 0.00 176.83 177.37 1fr3 h VAL 43 N 0.51 1.18 -0.09 2.27 2.07 -1.11 0.55 116.25 121.64 1fr3 h VAL 43 Ca 0.06 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1fr3 h VAL 43 Cb 0.83 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1fr3 h VAL 43 CO 0.07 0.19 -0.07 0.00 0.02 0.00 0.00 177.57 177.78 1fr3 h ALA 44 N 1.20 0.13 -0.32 1.67 0.00 -1.17 0.67 119.26 121.44 1fr3 h ALA 44 Ca 0.23 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1fr3 h ALA 44 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1fr3 h ALA 44 CO -0.04 -0.07 0.15 0.22 0.00 0.00 0.00 179.25 179.51 1fr3 h ASP 45 N -0.20 0.22 0.68 0.00 3.58 -0.83 -1.90 116.42 117.96 1fr3 h ASP 45 Ca 0.02 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1fr3 h ASP 45 Cb 0.57 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1fr3 h ASP 45 CO 0.02 0.16 -0.09 0.18 -2.88 0.00 0.00 179.24 176.63 1fr3 n LEU 46 N -4.96 0.18 -3.72 2.28 4.32 0.17 -4.94 117.00 110.32 1fr3 n LEU 46 Ca -0.00 0.27 -0.23 0.00 -0.02 0.00 0.00 56.01 56.02 1fr3 n LEU 46 Cb 0.08 -0.34 0.04 0.00 -1.62 0.00 0.00 43.42 41.58 1fr3 n LEU 46 CO 0.30 0.04 0.01 -0.67 -1.22 0.00 0.00 177.39 175.85 1fr3 n ASP 47 N -1.32 -2.43 -4.74 -1.43 2.03 0.14 -4.91 116.55 103.89 1fr3 n ASP 47 Ca 0.10 -0.77 -0.41 0.00 0.52 0.00 0.00 54.79 54.23 1fr3 n ASP 47 Cb 0.30 -4.19 -0.04 0.00 -0.72 0.00 0.00 41.12 36.48 1fr3 n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1fr3 s LEU 48 N -6.83 4.48 0.03 -2.67 1.43 -0.68 -5.04 118.68 109.39 1fr3 s LEU 48 Ca 0.19 2.25 -0.15 0.00 -1.03 0.00 0.00 54.13 55.40 1fr3 s LEU 48 Cb -0.09 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1fr3 s LEU 48 CO 0.80 -0.31 0.32 0.68 0.23 0.00 0.00 176.35 178.07 1fr3 s VAL 49 N -0.39 0.07 0.19 -1.59 -7.23 -1.26 -4.97 120.40 105.23 1fr3 s VAL 49 Ca 0.50 -0.60 -0.33 0.00 -1.81 0.00 0.00 61.98 59.74 1fr3 s VAL 49 Cb -0.33 -0.85 -0.14 0.00 0.56 0.00 0.00 36.38 35.62 1fr3 s VAL 49 CO 0.38 -0.33 1.46 -2.65 -0.31 0.00 0.00 175.10 173.66 1fr3 n PRO 50 N 0.77 1.99 0.00 4.82 -0.02 -1.26 -1.79 135.00 139.50 1fr3 n PRO 50 Ca -0.19 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1fr3 n PRO 50 Cb 0.58 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1fr3 n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fr3 n GLY 51 N 2.70 3.02 3.77 -1.23 0.00 0.55 -4.99 105.19 109.00 1fr3 n GLY 51 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1fr3 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fr3 n ASP 52 N 0.00 3.84 -4.63 1.61 8.00 -0.74 -4.68 116.55 119.95 1fr3 n ASP 52 Ca 0.00 1.21 -0.40 0.00 0.71 0.00 0.00 54.79 56.32 1fr3 n ASP 52 Cb 0.00 -1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 39.41 1fr3 n ASP 52 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1fr3 s LYS 53 N -1.76 4.11 0.28 -1.24 -0.14 -1.26 -1.02 119.74 118.71 1fr3 s LYS 53 Ca 0.55 0.33 0.02 0.00 -1.36 0.00 0.00 55.97 55.51 1fr3 s LYS 53 Cb -0.48 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.02 1fr3 s LYS 53 CO 0.61 -0.26 0.16 0.14 -0.76 0.00 0.00 175.35 175.23 1fr3 s VAL 54 N 2.02 0.26 -0.19 3.17 -7.23 -0.23 -5.01 120.40 113.18 1fr3 s VAL 54 Ca 0.22 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1fr3 s VAL 54 Cb -0.15 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1fr3 s VAL 54 CO 0.09 0.00 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.82 1fr3 s THR 55 N -3.73 2.18 0.09 5.32 2.01 -1.26 -0.86 115.64 119.40 1fr3 s THR 55 Ca 0.37 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1fr3 s THR 55 Cb 0.06 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 1fr3 s THR 55 CO 0.17 0.46 1.00 0.00 -0.69 0.00 0.00 174.62 175.55 1fr3 s ALA 56 N 1.28 3.25 -0.08 7.40 0.00 0.13 -4.86 121.76 128.88 1fr3 s ALA 56 Ca 0.03 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.64 1fr3 s ALA 56 Cb -0.14 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1fr3 s ALA 56 CO -0.11 -0.12 -0.18 -1.17 0.00 0.00 0.00 175.76 174.17 1fr3 s LEU 57 N 0.27 1.87 -0.04 0.00 2.96 -1.26 -0.86 118.68 121.63 1fr3 s LEU 57 Ca 0.49 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1fr3 s LEU 57 Cb -0.24 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.34 1fr3 s LEU 57 CO 0.30 0.10 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.66 1fr3 s VAL 58 N 0.51 0.71 0.26 1.68 1.01 -0.27 -5.02 120.40 119.28 1fr3 s VAL 58 Ca -0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1fr3 s VAL 58 Cb -0.17 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 1fr3 s VAL 58 CO 0.06 0.25 1.24 -0.75 0.00 0.00 0.00 175.10 175.90 1fr3 s LYS 59 N 0.61 4.46 0.33 2.72 2.20 -1.26 -1.89 119.74 126.90 1fr3 s LYS 59 Ca -0.09 2.02 0.04 0.00 -0.36 0.00 0.00 55.97 57.58 1fr3 s LYS 59 Cb -0.13 -3.16 0.65 0.00 -1.51 0.00 0.00 37.83 33.69 1fr3 s LYS 59 CO 0.01 -0.09 1.92 0.00 -0.36 0.00 0.00 175.35 176.84 1fr3 h ALA 60 N 4.27 1.63 0.00 3.13 0.00 -1.92 -0.40 119.26 125.97 1fr3 h ALA 60 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1fr3 h ALA 60 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1fr3 h ALA 60 CO 0.70 0.23 0.00 0.25 0.00 0.00 0.00 179.25 180.44 1fr3 n THR 61 N -4.49 0.62 -1.16 0.00 -2.24 -1.26 -2.54 114.28 103.20 1fr3 n THR 61 Ca 0.13 0.16 0.05 0.00 -2.27 0.00 0.00 64.05 62.12 1fr3 n THR 61 Cb 0.24 -0.90 0.22 0.00 -2.10 0.00 0.00 70.33 67.78 1fr3 n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fr3 n GLU 62 N -1.31 2.21 -4.03 -0.78 1.02 -0.16 -4.93 120.64 112.66 1fr3 n GLU 62 Ca 0.07 -2.90 -0.34 0.00 -0.02 0.00 0.00 57.16 53.97 1fr3 n GLU 62 Cb 0.13 -1.75 -0.15 0.00 -0.02 0.00 0.00 31.44 29.64 1fr3 n GLU 62 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1fr3 s MET 63 N -2.97 2.96 0.57 3.49 1.75 -1.05 -4.90 119.30 119.14 1fr3 s MET 63 Ca 0.40 -0.88 -0.04 0.00 -1.25 0.00 0.00 55.69 53.93 1fr3 s MET 63 Cb 0.35 -2.79 0.01 0.00 2.84 0.00 0.00 34.83 35.24 1fr3 s MET 63 CO 0.04 -0.29 0.85 -1.21 -0.65 0.00 0.00 175.02 173.77 1fr3 s GLU 64 N 1.32 2.85 -0.07 4.11 2.02 -1.26 -5.04 118.70 122.62 1fr3 s GLU 64 Ca 0.03 -0.20 0.03 0.00 0.02 0.00 0.00 54.97 54.85 1fr3 s GLU 64 Cb -0.15 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.75 1fr3 s GLU 64 CO -0.08 -0.66 -0.17 0.08 0.02 0.00 0.00 175.26 174.44 1fr3 s VAL 65 N -2.91 1.48 0.09 2.63 1.01 -1.26 -5.14 120.40 116.31 1fr3 s VAL 65 Ca 0.54 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.91 1fr3 s VAL 65 Cb -0.10 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1fr3 s VAL 65 CO 0.43 0.43 -0.25 -0.76 0.00 0.00 0.00 175.10 174.95 1fr3 s LEU 66 N 0.36 2.35 0.00 3.92 1.43 -1.26 -5.34 118.68 120.15 1fr3 s LEU 66 Ca -0.12 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1fr3 s LEU 66 Cb -0.15 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1fr3 s LEU 66 CO 0.05 0.22 0.00 1.17 0.23 0.00 0.00 176.35 178.01