#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 3.87 -0.07 0.03 1.02 -1.26 -5.07 119.74 118.26 1fr3 s LYS 2 Ca 0.00 0.89 0.04 0.00 0.02 0.00 0.00 55.97 56.92 1fr3 s LYS 2 Cb 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1fr3 s LYS 2 CO 0.00 -0.31 -0.20 0.42 -0.92 0.00 0.00 175.35 174.34 1fr3 s ILE 3 N -2.72 1.71 0.26 2.17 1.01 -1.26 -5.03 121.20 117.34 1fr3 s ILE 3 Ca 0.58 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1fr3 s ILE 3 Cb -0.10 -1.48 0.16 0.00 0.01 0.00 0.00 42.46 41.05 1fr3 s ILE 3 CO 0.36 0.48 1.82 0.77 0.00 0.00 0.00 174.94 178.37 1fr3 h SER 4 N 6.59 0.87 -1.24 3.58 4.64 -2.02 -3.42 113.55 122.54 1fr3 h SER 4 Ca -0.26 -0.15 -0.72 0.00 -0.47 0.00 0.00 61.79 60.19 1fr3 h SER 4 Cb 1.20 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1fr3 h SER 4 CO 0.47 0.82 1.10 0.61 -0.87 0.00 0.00 176.83 178.96 1fr3 n GLY 5 N -0.88 0.65 0.16 -0.77 0.00 -1.26 -4.81 105.19 98.27 1fr3 n GLY 5 Ca 0.05 0.95 0.03 0.00 0.00 0.00 0.00 46.02 47.05 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 8.94 0.00 -4.97 1.61 2.47 -1.82 -3.44 114.38 117.17 1fr3 h ARG 6 Ca -0.37 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.67 1fr3 h ARG 6 Cb 1.33 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.47 1fr3 h ARG 6 CO 0.99 0.49 -0.18 -0.80 0.56 0.00 0.00 179.97 181.04 1fr3 s ASN 7 N -6.52 6.22 -0.17 7.04 0.01 -0.87 -5.01 114.94 115.64 1fr3 s ASN 7 Ca 0.01 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1fr3 s ASN 7 Cb 0.10 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.54 1fr3 s ASN 7 CO 0.72 -0.54 -0.16 -0.54 -1.51 0.00 0.00 177.10 175.07 1fr3 s LYS 8 N 2.20 3.15 -0.25 -0.60 3.01 -1.26 -1.29 119.74 124.70 1fr3 s LYS 8 Ca 0.14 -0.77 0.03 0.00 -1.01 0.00 0.00 55.97 54.36 1fr3 s LYS 8 Cb -0.16 -2.65 0.06 0.00 -1.01 0.00 0.00 37.83 34.06 1fr3 s LYS 8 CO 0.14 -0.10 -0.11 -0.51 0.51 0.00 0.00 175.35 175.28 1fr3 s LEU 9 N 1.08 3.32 -0.47 3.17 1.43 -0.19 -4.95 118.68 122.07 1fr3 s LEU 9 Ca -0.00 -1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 51.47 1fr3 s LEU 9 Cb -0.14 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1fr3 s LEU 9 CO -0.05 -0.18 1.50 -1.61 0.23 0.00 0.00 176.35 176.24 1fr3 s GLU 10 N 1.13 3.37 0.45 1.70 2.02 -1.26 -0.74 118.70 125.37 1fr3 s GLU 10 Ca -0.08 0.80 0.03 0.00 0.02 0.00 0.00 54.97 55.74 1fr3 s GLU 10 Cb -0.20 -4.11 -0.02 0.00 0.10 0.00 0.00 34.13 29.91 1fr3 s GLU 10 CO -0.06 -1.83 0.10 0.00 0.02 0.00 0.00 175.26 173.49 1fr3 s ALA 11 N 6.15 3.39 -0.04 5.21 0.00 0.13 -4.73 121.76 131.86 1fr3 s ALA 11 Ca 0.61 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.77 1fr3 s ALA 11 Cb -0.14 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 1fr3 s ALA 11 CO 0.29 -0.24 -0.20 0.99 0.00 0.00 0.00 175.76 176.61 1fr3 s THR 12 N -3.09 1.63 0.01 0.00 2.01 -0.52 -1.12 115.64 114.57 1fr3 s THR 12 Ca 0.16 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 1fr3 s THR 12 Cb 0.01 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 1fr3 s THR 12 CO 0.11 0.46 1.30 -0.69 -0.69 0.00 0.00 174.62 175.11 1fr3 s VAL 13 N -0.13 3.88 -0.23 3.82 1.01 -0.12 -0.67 120.40 127.95 1fr3 s VAL 13 Ca -0.01 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.27 1fr3 s VAL 13 Cb -0.11 -3.82 -0.16 0.00 0.00 0.00 0.00 36.38 32.29 1fr3 s VAL 13 CO 0.02 0.03 -0.20 0.29 0.00 0.00 0.00 175.10 175.24 1fr3 n LYS 14 N 4.87 0.60 -3.61 2.72 5.02 0.90 -0.14 118.16 128.53 1fr3 n LYS 14 Ca 0.11 0.13 -0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1fr3 n LYS 14 Cb 0.45 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 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 -2.47 0.92 -0.08 1.97 2.12 -1.04 -4.81 118.70 115.31 1fr3 s GLU 15 Ca -0.31 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1fr3 s GLU 15 Cb 0.08 0.43 0.02 0.00 0.26 0.00 0.00 34.13 34.92 1fr3 s GLU 15 CO 0.55 -0.28 -0.07 0.42 -0.54 0.00 0.00 175.26 175.34 1fr3 s ILE 16 N -1.31 0.87 -0.19 -3.70 1.01 -1.26 -0.67 121.20 115.94 1fr3 s ILE 16 Ca -0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1fr3 s ILE 16 Cb -0.02 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.58 1fr3 s ILE 16 CO 0.07 0.32 -0.14 -0.69 0.00 0.00 0.00 174.94 174.50 1fr3 s VAL 17 N 1.38 2.53 -0.21 2.92 1.01 -0.44 -4.97 120.40 122.62 1fr3 s VAL 17 Ca -0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1fr3 s VAL 17 Cb -0.14 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1fr3 s VAL 17 CO -0.04 0.50 0.12 -0.54 0.00 0.00 0.00 175.10 175.14 1fr3 s LYS 18 N 1.34 4.05 0.00 2.72 1.02 -1.26 -0.76 119.74 126.85 1fr3 s LYS 18 Ca 0.05 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1fr3 s LYS 18 Cb -0.13 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1fr3 s LYS 18 CO -0.09 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1fr3 n GLY 19 N 3.91 2.79 0.19 -3.33 0.00 0.61 -5.01 105.19 104.35 1fr3 n GLY 19 Ca -0.16 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 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 0.10 1.35 0.00 2.61 2.02 -2.03 -3.41 112.91 113.55 1fr3 h THR 20 Ca 0.00 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.28 1fr3 h THR 20 Cb 0.00 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1fr3 h THR 20 CO 0.00 0.58 -0.86 0.52 0.37 0.00 0.00 175.52 176.12 1fr3 n VAL 21 N -3.91 0.00 -4.06 3.16 0.31 -1.26 -4.92 118.33 107.65 1fr3 n VAL 21 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.08 1fr3 n VAL 21 Cb 0.62 -0.98 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 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 -1.94 3.10 -0.01 5.55 -1.94 -1.26 -0.80 119.30 122.00 1fr3 s MET 22 Ca 0.00 -0.92 0.04 0.00 -1.71 0.00 0.00 55.69 53.09 1fr3 s MET 22 Cb 0.00 -2.69 -0.01 0.00 2.01 0.00 0.00 34.83 34.14 1fr3 s MET 22 CO 0.00 0.43 -0.12 0.00 -0.01 0.00 0.00 175.02 175.32 1fr3 s ALA 23 N -2.02 0.99 -0.24 3.03 0.00 0.11 -0.29 121.76 123.35 1fr3 s ALA 23 Ca 0.33 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1fr3 s ALA 23 Cb -0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1fr3 s ALA 23 CO 0.26 0.23 0.35 0.21 0.00 0.00 0.00 175.76 176.82 1fr3 s LYS 24 N -0.23 4.08 -0.35 0.00 2.20 0.06 -1.67 119.74 123.82 1fr3 s LYS 24 Ca 0.04 0.06 -0.06 0.00 -0.36 0.00 0.00 55.97 55.64 1fr3 s LYS 24 Cb -0.05 -3.59 0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1fr3 s LYS 24 CO -0.00 -0.14 0.13 0.42 -0.36 0.00 0.00 175.35 175.39 1fr3 s ILE 25 N 1.64 3.77 -0.13 5.43 -1.09 0.14 -1.33 121.20 129.64 1fr3 s ILE 25 Ca 0.15 -1.25 -0.17 0.00 -2.23 0.00 0.00 60.65 57.16 1fr3 s ILE 25 Cb -0.15 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 1fr3 s ILE 25 CO 0.08 -0.26 0.43 -0.69 -1.23 0.00 0.00 174.94 173.28 1fr3 s VAL 26 N 1.38 5.21 0.18 2.92 1.01 0.15 -1.11 120.40 130.14 1fr3 s VAL 26 Ca -0.01 0.86 0.04 0.00 0.00 0.00 0.00 61.98 62.87 1fr3 s VAL 26 Cb -0.20 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1fr3 s VAL 26 CO 0.02 0.34 -0.06 -0.04 0.00 0.00 0.00 175.10 175.37 1fr3 s MET 27 N 0.56 1.16 -0.14 2.72 -1.94 0.13 -0.07 119.30 121.72 1fr3 s MET 27 Ca 0.24 -1.53 -0.02 0.00 -1.71 0.00 0.00 55.69 52.66 1fr3 s MET 27 Cb -0.15 -0.59 -0.02 0.00 2.01 0.00 0.00 34.83 36.09 1fr3 s MET 27 CO 0.09 -0.00 -0.08 0.34 -0.01 0.00 0.00 175.02 175.36 1fr3 s ASP 28 N -3.21 4.47 -0.35 3.03 2.15 0.16 -0.68 116.67 122.23 1fr3 s ASP 28 Ca 0.21 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.99 1fr3 s ASP 28 Cb 0.04 -1.69 0.11 0.00 -0.30 0.00 0.00 42.92 41.08 1fr3 s ASP 28 CO 0.04 0.17 0.13 -0.47 -0.17 0.00 0.00 175.17 174.86 1fr3 s TYR 29 N 0.32 2.07 -1.57 -5.34 5.04 0.71 -1.43 117.35 117.14 1fr3 s TYR 29 Ca -0.07 -2.09 -0.14 0.00 -2.44 0.00 0.00 57.07 52.34 1fr3 s TYR 29 Cb -0.15 -1.93 0.10 0.00 0.35 0.00 0.00 41.96 40.33 1fr3 s TYR 29 CO 0.04 -0.87 0.87 1.63 -1.34 0.00 0.00 175.55 175.88 1fr3 n LYS 30 N 4.44 -4.54 -0.08 4.97 5.02 -1.26 -0.90 118.16 125.82 1fr3 n LYS 30 Ca 0.01 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1fr3 n LYS 30 Cb 0.40 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 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 -1.60 1.08 3.67 0.72 0.00 -1.26 -5.04 105.19 102.75 1fr3 n GLY 31 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.47 4.81 0.07 2.61 2.01 -0.08 -5.08 115.64 117.52 1fr3 s THR 32 Ca 0.00 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1fr3 s THR 32 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 1fr3 s THR 32 CO 0.00 0.50 0.99 -0.70 -0.69 0.00 0.00 174.62 174.72 1fr3 s GLU 33 N 0.03 4.62 0.14 4.92 2.12 -1.26 -0.21 118.70 129.07 1fr3 s GLU 33 Ca 0.06 1.48 0.08 0.00 0.36 0.00 0.00 54.97 56.95 1fr3 s GLU 33 Cb -0.12 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1fr3 s GLU 33 CO 0.01 0.08 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.19 1fr3 s LEU 34 N 0.42 2.99 -0.09 2.70 1.43 0.14 -4.96 118.68 121.32 1fr3 s LEU 34 Ca 0.50 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1fr3 s LEU 34 Cb -0.23 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1fr3 s LEU 34 CO 0.29 0.14 0.03 -0.69 0.23 0.00 0.00 176.35 176.35 1fr3 s VAL 35 N -1.46 0.25 0.00 -1.59 1.01 -1.26 -0.69 120.40 116.66 1fr3 s VAL 35 Ca 0.23 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1fr3 s VAL 35 Cb -0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1fr3 s VAL 35 CO 0.14 0.15 -0.14 0.00 0.00 0.00 0.00 175.10 175.25 1fr3 s ALA 36 N 2.02 2.72 -0.31 5.51 0.00 -0.27 -4.97 121.76 126.45 1fr3 s ALA 36 Ca 0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1fr3 s ALA 36 Cb -0.13 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.14 1fr3 s ALA 36 CO -0.05 0.58 0.03 0.00 0.00 0.00 0.00 175.76 176.31 1fr3 s ALA 37 N -0.88 2.87 0.41 0.00 0.00 -1.26 -0.68 121.76 122.22 1fr3 s ALA 37 Ca 0.14 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.31 1fr3 s ALA 37 Cb -0.11 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1fr3 s ALA 37 CO 0.04 -1.33 0.08 0.96 0.00 0.00 0.00 175.76 175.52 1fr3 s ILE 38 N 1.26 0.91 0.51 0.00 -4.36 -0.67 -4.94 121.20 113.91 1fr3 s ILE 38 Ca -0.04 -2.00 -0.17 0.00 -0.26 0.00 0.00 60.65 58.19 1fr3 s ILE 38 Cb -0.20 -2.45 -0.08 0.00 1.25 0.00 0.00 42.46 40.98 1fr3 s ILE 38 CO -0.01 0.00 0.99 0.42 0.24 0.00 0.00 174.94 176.58 1fr3 s THR 39 N -3.15 4.48 0.39 8.37 -4.23 -1.26 0.09 115.64 120.32 1fr3 s THR 39 Ca 0.24 1.21 0.08 0.00 -1.18 0.00 0.00 61.69 62.04 1fr3 s THR 39 Cb 0.04 -3.69 0.19 0.00 1.34 0.00 0.00 72.50 70.38 1fr3 s THR 39 CO 0.13 -0.66 1.95 0.16 -0.54 0.00 0.00 174.62 175.67 1fr3 h ILE 40 N 0.95 1.15 -0.95 2.99 3.07 -1.21 -1.55 117.51 121.96 1fr3 h ILE 40 Ca -0.47 -0.59 0.13 0.00 1.55 0.00 0.00 64.86 65.48 1fr3 h ILE 40 Cb 1.19 0.95 -0.08 0.00 -0.27 0.00 0.00 36.82 38.61 1fr3 h ILE 40 CO 0.61 0.20 0.60 0.44 -1.05 0.00 0.00 178.15 178.96 1fr3 h ASP 41 N 0.37 0.81 -0.16 2.16 3.32 -1.92 -0.96 116.42 120.03 1fr3 h ASP 41 Ca 0.09 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1fr3 h ASP 41 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1fr3 h ASP 41 CO 0.00 0.43 -0.30 0.28 -1.72 0.00 0.00 179.24 177.94 1fr3 h SER 42 N 0.87 0.67 -0.53 6.45 0.02 -1.66 0.25 113.55 119.61 1fr3 h SER 42 Ca 0.47 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1fr3 h SER 42 Cb 0.56 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1fr3 h SER 42 CO -0.23 0.93 0.33 0.58 -1.14 0.00 0.00 176.83 177.30 1fr3 h VAL 43 N 0.56 1.09 -0.33 2.27 2.07 -1.06 -0.43 116.25 120.41 1fr3 h VAL 43 Ca 0.07 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1fr3 h VAL 43 Cb 0.79 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1fr3 h VAL 43 CO 0.06 0.12 -0.17 0.00 0.02 0.00 0.00 177.57 177.61 1fr3 h ALA 44 N 1.22 0.47 -0.38 1.67 0.00 -1.17 0.13 119.26 121.20 1fr3 h ALA 44 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1fr3 h ALA 44 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1fr3 h ALA 44 CO -0.07 0.39 0.19 0.22 0.00 0.00 0.00 179.25 179.97 1fr3 h ASP 45 N 0.47 0.50 1.07 0.00 3.58 -0.69 -2.36 116.42 118.99 1fr3 h ASP 45 Ca 0.07 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1fr3 h ASP 45 Cb 0.70 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1fr3 h ASP 45 CO 0.05 0.48 -0.08 0.18 -2.88 0.00 0.00 179.24 176.99 1fr3 n LEU 46 N -4.71 0.30 -3.77 2.28 4.32 -0.19 -4.94 117.00 110.29 1fr3 n LEU 46 Ca -0.00 0.46 -0.25 0.00 -0.02 0.00 0.00 56.01 56.20 1fr3 n LEU 46 Cb 0.11 -0.41 0.02 0.00 -1.62 0.00 0.00 43.42 41.51 1fr3 n LEU 46 CO 0.36 -0.04 -0.12 -0.67 -1.22 0.00 0.00 177.39 175.70 1fr3 n ASP 47 N -1.73 -1.90 -4.74 -1.43 2.03 0.38 -4.89 116.55 104.26 1fr3 n ASP 47 Ca 0.06 -0.92 -0.41 0.00 0.52 0.00 0.00 54.79 54.04 1fr3 n ASP 47 Cb 0.37 -3.61 -0.03 0.00 -0.72 0.00 0.00 41.12 37.13 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 -6.69 4.42 -0.00 -2.67 1.43 -0.76 -5.03 118.68 109.38 1fr3 s LEU 48 Ca 0.12 2.44 0.02 0.00 -1.03 0.00 0.00 54.13 55.67 1fr3 s LEU 48 Cb -0.04 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 1fr3 s LEU 48 CO 0.85 -0.53 -0.06 -0.69 0.23 0.00 0.00 176.35 176.14 1fr3 s VAL 49 N 0.01 0.50 0.18 -1.59 1.01 -1.26 -4.98 120.40 114.26 1fr3 s VAL 49 Ca 0.56 -0.30 -0.33 0.00 0.00 0.00 0.00 61.98 61.91 1fr3 s VAL 49 Cb -0.37 -0.43 -0.15 0.00 0.00 0.00 0.00 36.38 35.43 1fr3 s VAL 49 CO 0.39 0.13 1.31 -2.65 0.00 0.00 0.00 175.10 174.28 1fr3 n PRO 50 N 2.88 1.52 0.00 2.72 -0.02 -1.26 -1.38 135.00 139.46 1fr3 n PRO 50 Ca -0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1fr3 n PRO 50 Cb 0.58 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.29 2.91 3.76 -1.23 0.00 0.80 -4.98 105.19 108.74 1fr3 n GLY 51 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1fr3 n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fr3 s ASP 52 N -0.52 5.80 -0.15 1.61 1.01 -0.48 -4.64 116.67 119.31 1fr3 s ASP 52 Ca 0.00 2.84 -0.21 0.00 0.71 0.00 0.00 52.55 55.89 1fr3 s ASP 52 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1fr3 s ASP 52 CO 0.00 -1.22 0.61 -0.54 0.21 0.00 0.00 175.17 174.23 1fr3 s LYS 53 N -2.53 4.29 0.24 8.23 -0.14 -1.26 -0.95 119.74 127.62 1fr3 s LYS 53 Ca 0.63 0.63 0.01 0.00 -1.36 0.00 0.00 55.97 55.88 1fr3 s LYS 53 Cb -0.42 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.18 1fr3 s LYS 53 CO 0.53 -0.07 0.14 0.14 -0.76 0.00 0.00 175.35 175.33 1fr3 s VAL 54 N 1.34 0.18 -0.20 3.17 -7.23 -0.28 -4.99 120.40 112.40 1fr3 s VAL 54 Ca 0.30 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 1fr3 s VAL 54 Cb -0.16 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.26 1fr3 s VAL 54 CO 0.12 0.00 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.87 1fr3 s THR 55 N -3.92 2.40 0.06 5.32 2.01 -1.26 -0.69 115.64 119.56 1fr3 s THR 55 Ca 0.38 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 61.17 1fr3 s THR 55 Cb 0.06 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 1fr3 s THR 55 CO 0.15 0.42 0.87 0.00 -0.69 0.00 0.00 174.62 175.37 1fr3 s ALA 56 N 1.31 3.29 -0.10 7.40 0.00 0.08 -4.87 121.76 128.87 1fr3 s ALA 56 Ca 0.03 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.46 1fr3 s ALA 56 Cb -0.14 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1fr3 s ALA 56 CO -0.09 -0.02 -0.19 -1.17 0.00 0.00 0.00 175.76 174.28 1fr3 s LEU 57 N 0.15 1.92 -0.04 0.00 2.96 -1.26 -1.02 118.68 121.38 1fr3 s LEU 57 Ca 0.44 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1fr3 s LEU 57 Cb -0.22 -1.22 0.02 0.00 0.50 0.00 0.00 46.19 45.27 1fr3 s LEU 57 CO 0.26 0.10 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.64 1fr3 s VAL 58 N 0.58 0.65 0.35 1.68 1.01 -0.41 -5.03 120.40 119.23 1fr3 s VAL 58 Ca -0.15 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1fr3 s VAL 58 Cb -0.17 -0.65 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 1fr3 s VAL 58 CO 0.05 0.25 1.25 -0.75 0.00 0.00 0.00 175.10 175.89 1fr3 s LYS 59 N 0.78 4.27 0.30 2.72 2.20 -1.26 -2.04 119.74 126.71 1fr3 s LYS 59 Ca -0.12 2.07 0.02 0.00 -0.36 0.00 0.00 55.97 57.58 1fr3 s LYS 59 Cb -0.14 -2.95 0.58 0.00 -1.51 0.00 0.00 37.83 33.80 1fr3 s LYS 59 CO 0.01 -0.21 1.88 0.00 -0.36 0.00 0.00 175.35 176.67 1fr3 h ALA 60 N 3.17 1.56 0.00 3.13 0.00 -1.92 -0.77 119.26 124.43 1fr3 h ALA 60 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fr3 h ALA 60 Cb 1.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1fr3 h ALA 60 CO 0.65 0.25 0.00 0.25 0.00 0.00 0.00 179.25 180.39 1fr3 n THR 61 N -4.54 0.83 -0.63 0.00 -2.24 -1.26 -2.66 114.28 103.79 1fr3 n THR 61 Ca 0.16 0.21 0.08 0.00 -2.27 0.00 0.00 64.05 62.23 1fr3 n THR 61 Cb 0.29 -0.95 0.27 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.43 3.27 -3.91 -0.78 4.71 -0.30 -4.91 120.64 117.29 1fr3 n GLU 62 Ca 0.05 -2.64 -0.35 0.00 -0.01 0.00 0.00 57.16 54.20 1fr3 n GLU 62 Cb 0.16 -1.71 -0.14 0.00 -1.01 0.00 0.00 31.44 28.74 1fr3 n GLU 62 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1fr3 s MET 63 N -1.96 3.27 0.47 3.49 1.75 -1.09 -4.93 119.30 120.31 1fr3 s MET 63 Ca 0.40 -0.69 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 1fr3 s MET 63 Cb 0.28 -3.02 0.00 0.00 2.84 0.00 0.00 34.83 34.93 1fr3 s MET 63 CO 0.17 -0.24 0.70 -1.21 -0.65 0.00 0.00 175.02 173.78 1fr3 s GLU 64 N 1.46 2.97 -0.08 4.11 2.02 -1.26 -5.05 118.70 122.87 1fr3 s GLU 64 Ca 0.05 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.56 1fr3 s GLU 64 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1fr3 s GLU 64 CO -0.03 -0.36 -0.21 0.08 0.02 0.00 0.00 175.26 174.76 1fr3 s VAL 65 N -2.61 1.79 0.02 2.63 1.01 -1.26 -5.13 120.40 116.86 1fr3 s VAL 65 Ca 0.50 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1fr3 s VAL 65 Cb -0.10 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1fr3 s VAL 65 CO 0.38 0.50 -0.21 -0.76 0.00 0.00 0.00 175.10 175.02 1fr3 s LEU 66 N 0.27 2.45 0.00 3.92 1.43 -1.26 -5.34 118.68 120.14 1fr3 s LEU 66 Ca -0.13 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1fr3 s LEU 66 Cb -0.16 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1fr3 s LEU 66 CO 0.06 0.28 0.00 1.17 0.23 0.00 0.00 176.35 178.09