#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 0.33 -0.04 0.03 1.02 -1.26 -5.16 119.74 114.66 1fr3 s LYS 2 Ca 0.00 -0.61 0.05 0.00 0.02 0.00 0.00 55.97 55.42 1fr3 s LYS 2 Cb 0.00 0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.43 1fr3 s LYS 2 CO 0.00 -0.06 -0.19 -1.50 -0.92 0.00 0.00 175.35 172.69 1fr3 s ILE 3 N -1.54 1.54 0.27 2.17 1.10 -1.26 -5.04 121.20 118.45 1fr3 s ILE 3 Ca -0.15 -0.78 -0.02 0.00 -0.51 0.00 0.00 60.65 59.18 1fr3 s ILE 3 Cb -0.09 -1.32 0.15 0.00 0.15 0.00 0.00 42.46 41.35 1fr3 s ILE 3 CO -0.01 0.44 1.81 0.77 -2.11 0.00 0.00 174.94 175.84 1fr3 h SER 4 N 6.18 0.83 -0.90 4.50 4.64 -2.02 -3.42 113.55 123.35 1fr3 h SER 4 Ca -0.33 -0.15 -0.77 0.00 -0.47 0.00 0.00 61.79 60.07 1fr3 h SER 4 Cb 1.17 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1fr3 h SER 4 CO 0.48 0.81 1.07 0.61 -0.87 0.00 0.00 176.83 178.93 1fr3 n GLY 5 N -0.83 0.35 0.14 -0.77 0.00 -1.26 -4.81 105.19 98.01 1fr3 n GLY 5 Ca 0.04 1.00 0.02 0.00 0.00 0.00 0.00 46.02 47.09 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 8.21 0.00 -4.86 1.61 2.47 -1.82 -3.43 114.38 116.55 1fr3 h ARG 6 Ca -0.32 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 57.71 1fr3 h ARG 6 Cb 1.36 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.49 1fr3 h ARG 6 CO 1.01 0.53 -0.16 -0.80 0.56 0.00 0.00 179.97 181.12 1fr3 s ASN 7 N -6.49 6.20 -0.22 7.04 0.01 -0.77 -4.99 114.94 115.73 1fr3 s ASN 7 Ca 0.02 -0.75 -0.04 0.00 -0.71 0.00 0.00 52.86 51.39 1fr3 s ASN 7 Cb 0.09 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 1fr3 s ASN 7 CO 0.74 -0.65 -0.04 -0.54 -1.51 0.00 0.00 177.10 175.10 1fr3 s LYS 8 N 2.21 3.39 -0.24 -0.60 3.01 -1.26 -1.03 119.74 125.21 1fr3 s LYS 8 Ca 0.12 -0.62 0.02 0.00 -1.01 0.00 0.00 55.97 54.49 1fr3 s LYS 8 Cb -0.18 -3.01 0.05 0.00 -1.01 0.00 0.00 37.83 33.69 1fr3 s LYS 8 CO 0.13 -0.18 -0.11 -0.51 0.51 0.00 0.00 175.35 175.19 1fr3 s LEU 9 N 1.44 3.11 -0.38 3.17 1.02 0.12 -4.95 118.68 122.21 1fr3 s LEU 9 Ca 0.05 -1.25 -0.29 0.00 0.02 0.00 0.00 54.13 52.66 1fr3 s LEU 9 Cb -0.14 -1.47 0.00 0.00 0.02 0.00 0.00 46.19 44.60 1fr3 s LEU 9 CO -0.03 -0.17 1.45 -1.61 0.02 0.00 0.00 176.35 176.00 1fr3 s GLU 10 N 1.18 3.61 0.36 1.70 2.02 -1.26 -0.48 118.70 125.82 1fr3 s GLU 10 Ca -0.07 1.07 0.04 0.00 0.02 0.00 0.00 54.97 56.03 1fr3 s GLU 10 Cb -0.19 -4.02 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 1fr3 s GLU 10 CO -0.06 -1.52 0.15 0.00 0.02 0.00 0.00 175.26 173.84 1fr3 s ALA 11 N 5.42 2.42 -0.06 5.21 0.00 0.08 -4.74 121.76 130.08 1fr3 s ALA 11 Ca 0.63 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 51.07 1fr3 s ALA 11 Cb -0.16 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1fr3 s ALA 11 CO 0.31 -0.43 -0.23 0.99 0.00 0.00 0.00 175.76 176.40 1fr3 s THR 12 N -3.39 1.93 0.12 0.00 2.01 -0.55 -0.77 115.64 115.00 1fr3 s THR 12 Ca 0.31 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 61.01 1fr3 s THR 12 Cb 0.04 -1.64 -0.07 0.00 0.01 0.00 0.00 72.50 70.83 1fr3 s THR 12 CO 0.17 0.54 1.30 -0.69 -0.69 0.00 0.00 174.62 175.24 1fr3 s VAL 13 N -0.06 3.54 -0.16 3.82 1.01 -0.12 -0.18 120.40 128.25 1fr3 s VAL 13 Ca -0.05 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.11 1fr3 s VAL 13 Cb -0.14 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.38 1fr3 s VAL 13 CO 0.04 0.11 -0.11 0.29 0.00 0.00 0.00 175.10 175.43 1fr3 n LYS 14 N 3.57 0.69 -3.69 2.72 5.02 0.75 -0.78 118.16 126.44 1fr3 n LYS 14 Ca 0.09 0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 1fr3 n LYS 14 Cb 0.44 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.33 0.76 -0.11 1.97 2.12 -1.02 -4.82 118.70 115.27 1fr3 s GLU 15 Ca -0.20 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 1fr3 s GLU 15 Cb 0.05 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.83 1fr3 s GLU 15 CO 0.42 -0.22 -0.03 0.42 -0.54 0.00 0.00 175.26 175.31 1fr3 s ILE 16 N -1.19 0.73 -0.33 -3.70 1.01 -1.26 -0.92 121.20 115.54 1fr3 s ILE 16 Ca -0.12 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 1fr3 s ILE 16 Cb -0.04 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1fr3 s ILE 16 CO 0.06 0.24 0.13 -0.69 0.00 0.00 0.00 174.94 174.68 1fr3 s VAL 17 N 1.82 4.20 -0.26 2.92 1.01 -0.28 -4.96 120.40 124.86 1fr3 s VAL 17 Ca 0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1fr3 s VAL 17 Cb -0.13 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1fr3 s VAL 17 CO -0.07 -0.07 0.25 -0.54 0.00 0.00 0.00 175.10 174.67 1fr3 s LYS 18 N 1.51 4.02 0.00 2.72 1.02 -1.26 -0.68 119.74 127.07 1fr3 s LYS 18 Ca 0.02 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1fr3 s LYS 18 Cb -0.18 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 1fr3 s LYS 18 CO 0.04 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1fr3 n GLY 19 N 4.66 2.10 0.08 -3.33 0.00 0.34 -5.02 105.19 104.03 1fr3 n GLY 19 Ca -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.79 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 0.01 1.50 0.00 2.61 2.02 -2.03 -3.41 112.91 113.60 1fr3 h THR 20 Ca 0.00 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.11 1fr3 h THR 20 Cb 0.00 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1fr3 h THR 20 CO 0.00 0.84 -0.84 0.52 0.37 0.00 0.00 175.52 176.41 1fr3 n VAL 21 N -3.34 0.00 -3.95 3.16 0.31 -1.26 -4.92 118.33 108.33 1fr3 n VAL 21 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1fr3 n VAL 21 Cb 0.87 -1.01 -0.03 0.00 -0.91 0.00 0.00 33.84 32.76 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 3.12 -0.01 5.55 -1.94 -1.26 -1.65 119.30 121.17 1fr3 s MET 22 Ca 0.00 -0.97 0.02 0.00 -1.71 0.00 0.00 55.69 53.04 1fr3 s MET 22 Cb 0.00 -2.70 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 1fr3 s MET 22 CO 0.00 0.34 -0.08 0.00 -0.01 0.00 0.00 175.02 175.27 1fr3 s ALA 23 N -2.10 0.66 -0.23 3.03 0.00 0.88 -0.50 121.76 123.50 1fr3 s ALA 23 Ca 0.36 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 1fr3 s ALA 23 Cb -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1fr3 s ALA 23 CO 0.27 0.16 0.23 0.21 0.00 0.00 0.00 175.76 176.63 1fr3 s LYS 24 N -0.18 4.11 -0.29 0.00 2.20 0.14 -1.59 119.74 124.13 1fr3 s LYS 24 Ca 0.03 -0.13 -0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1fr3 s LYS 24 Cb -0.03 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1fr3 s LYS 24 CO -0.00 0.05 0.04 0.42 -0.36 0.00 0.00 175.35 175.50 1fr3 s ILE 25 N 1.07 3.56 -0.21 5.43 -1.09 0.39 -1.12 121.20 129.23 1fr3 s ILE 25 Ca 0.11 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.48 1fr3 s ILE 25 Cb -0.14 -2.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 1fr3 s ILE 25 CO 0.05 0.03 0.17 -0.69 -1.23 0.00 0.00 174.94 173.27 1fr3 s VAL 26 N 1.41 5.38 0.16 2.92 1.01 -0.10 -1.26 120.40 129.91 1fr3 s VAL 26 Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1fr3 s VAL 26 Cb -0.18 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1fr3 s VAL 26 CO 0.00 0.40 -0.10 -0.04 0.00 0.00 0.00 175.10 175.37 1fr3 s MET 27 N 0.62 1.09 -0.16 2.72 -1.94 -0.13 -0.18 119.30 121.32 1fr3 s MET 27 Ca 0.09 -1.47 -0.05 0.00 -1.71 0.00 0.00 55.69 52.55 1fr3 s MET 27 Cb -0.12 -0.65 -0.03 0.00 2.01 0.00 0.00 34.83 36.04 1fr3 s MET 27 CO 0.01 0.07 -0.01 0.34 -0.01 0.00 0.00 175.02 175.42 1fr3 s ASP 28 N -3.19 5.07 -0.36 3.03 -1.08 0.74 -0.45 116.67 120.43 1fr3 s ASP 28 Ca 0.18 -0.05 0.01 0.00 -0.52 0.00 0.00 52.55 52.17 1fr3 s ASP 28 Cb 0.03 -1.82 0.11 0.00 -1.46 0.00 0.00 42.92 39.77 1fr3 s ASP 28 CO 0.01 0.18 0.13 -0.47 0.52 0.00 0.00 175.17 175.55 1fr3 s TYR 29 N 0.30 2.22 -1.62 -5.34 5.04 0.95 -1.48 117.35 117.43 1fr3 s TYR 29 Ca -0.01 -2.21 -0.16 0.00 -2.44 0.00 0.00 57.07 52.25 1fr3 s TYR 29 Cb -0.13 -2.03 0.12 0.00 0.35 0.00 0.00 41.96 40.27 1fr3 s TYR 29 CO 0.02 -0.86 0.87 1.63 -1.34 0.00 0.00 175.55 175.87 1fr3 n LYS 30 N 4.33 -4.28 -0.08 4.97 5.02 -1.26 -0.85 118.16 126.01 1fr3 n LYS 30 Ca 0.02 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1fr3 n LYS 30 Cb 0.40 -5.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 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 -1.55 0.86 3.70 0.72 0.00 -1.26 -5.05 105.19 102.60 1fr3 n GLY 31 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.39 4.87 0.10 2.61 2.01 -0.03 -5.08 115.64 117.73 1fr3 s THR 32 Ca 0.00 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1fr3 s THR 32 Cb 0.00 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 1fr3 s THR 32 CO 0.00 0.52 0.98 -0.70 -0.69 0.00 0.00 174.62 174.73 1fr3 s GLU 33 N -0.13 4.67 0.14 4.92 2.12 -1.26 -0.03 118.70 129.12 1fr3 s GLU 33 Ca 0.07 1.48 0.08 0.00 0.36 0.00 0.00 54.97 56.96 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 0.16 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.26 1fr3 s LEU 34 N 0.11 2.92 -0.07 2.70 1.43 0.40 -4.94 118.68 121.23 1fr3 s LEU 34 Ca 0.48 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1fr3 s LEU 34 Cb -0.24 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.33 1fr3 s LEU 34 CO 0.30 0.15 0.01 -0.69 0.23 0.00 0.00 176.35 176.34 1fr3 s VAL 35 N -1.40 0.32 0.01 -1.59 1.01 -1.26 -0.96 120.40 116.53 1fr3 s VAL 35 Ca 0.22 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.42 1fr3 s VAL 35 Cb -0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1fr3 s VAL 35 CO 0.13 0.25 -0.20 0.00 0.00 0.00 0.00 175.10 175.28 1fr3 s ALA 36 N 1.92 2.46 -0.29 5.51 0.00 -0.38 -4.97 121.76 126.00 1fr3 s ALA 36 Ca 0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1fr3 s ALA 36 Cb -0.12 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.34 1fr3 s ALA 36 CO -0.05 0.55 -0.01 0.00 0.00 0.00 0.00 175.76 176.26 1fr3 s ALA 37 N -0.81 2.80 0.41 0.00 0.00 -1.26 -0.46 121.76 122.44 1fr3 s ALA 37 Ca 0.13 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 50.41 1fr3 s ALA 37 Cb -0.10 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 1fr3 s ALA 37 CO 0.03 -1.21 0.13 0.96 0.00 0.00 0.00 175.76 175.66 1fr3 s ILE 38 N 1.27 0.61 0.53 0.00 -4.36 -0.62 -4.95 121.20 113.67 1fr3 s ILE 38 Ca -0.05 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.22 1fr3 s ILE 38 Cb -0.19 -2.36 -0.06 0.00 1.25 0.00 0.00 42.46 41.10 1fr3 s ILE 38 CO -0.01 0.00 0.95 0.42 0.24 0.00 0.00 174.94 176.54 1fr3 s THR 39 N -3.21 4.66 0.32 8.37 -4.23 -1.26 -0.09 115.64 120.21 1fr3 s THR 39 Ca 0.24 0.93 0.25 0.00 -1.18 0.00 0.00 61.69 61.92 1fr3 s THR 39 Cb 0.03 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.33 1fr3 s THR 39 CO 0.15 -0.83 1.96 0.16 -0.54 0.00 0.00 174.62 175.52 1fr3 h ILE 40 N 0.48 0.65 -0.72 2.99 3.07 -1.55 -2.39 117.51 120.03 1fr3 h ILE 40 Ca -0.46 -0.82 0.06 0.00 1.55 0.00 0.00 64.86 65.19 1fr3 h ILE 40 Cb 1.19 1.52 -0.06 0.00 -0.27 0.00 0.00 36.82 39.20 1fr3 h ILE 40 CO 0.62 0.18 0.42 0.44 -1.05 0.00 0.00 178.15 178.76 1fr3 h ASP 41 N 0.00 0.64 -0.64 2.16 5.19 -1.92 -1.53 116.42 120.31 1fr3 h ASP 41 Ca -0.00 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1fr3 h ASP 41 Cb 0.51 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 1fr3 h ASP 41 CO 0.02 0.41 0.08 0.28 -3.12 0.00 0.00 179.24 176.92 1fr3 h SER 42 N 0.77 1.04 -0.79 6.45 0.02 -1.82 0.09 113.55 119.31 1fr3 h SER 42 Ca 0.32 -0.26 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1fr3 h SER 42 Cb 0.17 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 1fr3 h SER 42 CO -0.18 1.04 0.50 0.58 -1.14 0.00 0.00 176.83 177.64 1fr3 h VAL 43 N 1.01 1.11 -0.16 2.27 2.07 -1.20 0.11 116.25 121.44 1fr3 h VAL 43 Ca 0.20 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1fr3 h VAL 43 Cb 0.46 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1fr3 h VAL 43 CO 0.02 0.18 -0.16 0.00 0.02 0.00 0.00 177.57 177.62 1fr3 h ALA 44 N 1.34 0.24 -0.39 1.67 0.00 -1.08 -0.22 119.26 120.83 1fr3 h ALA 44 Ca 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1fr3 h ALA 44 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1fr3 h ALA 44 CO -0.12 0.14 0.19 0.22 0.00 0.00 0.00 179.25 179.68 1fr3 h ASP 45 N 0.03 0.50 0.87 0.00 3.58 -0.72 -2.48 116.42 118.20 1fr3 h ASP 45 Ca 0.03 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.36 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 0.04 0.48 -0.11 0.18 -2.88 0.00 0.00 179.24 176.95 1fr3 n LEU 46 N -4.71 0.11 -3.78 2.28 4.32 0.00 -4.93 117.00 110.29 1fr3 n LEU 46 Ca -0.00 0.38 -0.23 0.00 -0.02 0.00 0.00 56.01 56.14 1fr3 n LEU 46 Cb 0.10 -0.44 0.02 0.00 -1.62 0.00 0.00 43.42 41.48 1fr3 n LEU 46 CO 0.36 0.03 -0.11 -0.67 -1.22 0.00 0.00 177.39 175.78 1fr3 n ASP 47 N -1.48 -1.04 -4.73 -1.43 2.03 -0.19 -4.88 116.55 104.82 1fr3 n ASP 47 Ca 0.07 -0.87 -0.42 0.00 0.52 0.00 0.00 54.79 54.09 1fr3 n ASP 47 Cb 0.34 -3.78 -0.03 0.00 -0.72 0.00 0.00 41.12 36.93 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 -6.77 4.39 0.02 -2.67 1.43 -0.62 -5.02 118.68 109.43 1fr3 s LEU 48 Ca 0.03 2.42 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 1fr3 s LEU 48 Cb -0.01 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1fr3 s LEU 48 CO 0.83 -0.62 0.07 0.68 0.23 0.00 0.00 176.35 177.54 1fr3 s VAL 49 N 0.58 0.11 0.24 -1.59 -7.23 -1.26 -4.97 120.40 106.27 1fr3 s VAL 49 Ca 0.61 -0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 59.60 1fr3 s VAL 49 Cb -0.38 -0.49 -0.13 0.00 0.56 0.00 0.00 36.38 35.94 1fr3 s VAL 49 CO 0.35 -0.48 1.46 -2.65 -0.31 0.00 0.00 175.10 173.47 1fr3 n PRO 50 N 1.34 2.16 0.00 4.82 -0.02 -1.26 -1.77 135.00 140.26 1fr3 n PRO 50 Ca -0.22 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1fr3 n PRO 50 Cb 0.56 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.33 2.75 3.76 -1.23 0.00 0.04 -5.00 105.19 107.84 1fr3 n GLY 51 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.39 6.60 -0.17 1.61 1.01 -0.73 -4.69 116.67 118.91 1fr3 s ASP 52 Ca 0.00 2.79 -0.23 0.00 0.71 0.00 0.00 52.55 55.81 1fr3 s ASP 52 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1fr3 s ASP 52 CO 0.00 -0.70 0.73 -0.54 0.21 0.00 0.00 175.17 174.87 1fr3 s LYS 53 N -1.27 4.28 0.34 8.23 -0.14 -1.26 -0.95 119.74 128.97 1fr3 s LYS 53 Ca 0.55 0.84 0.05 0.00 -1.36 0.00 0.00 55.97 56.04 1fr3 s LYS 53 Cb -0.43 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.13 1fr3 s LYS 53 CO 0.51 -0.25 0.20 0.14 -0.76 0.00 0.00 175.35 175.20 1fr3 s VAL 54 N 1.90 0.23 -0.20 3.17 -7.23 0.05 -4.99 120.40 113.33 1fr3 s VAL 54 Ca 0.34 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1fr3 s VAL 54 Cb -0.16 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.35 1fr3 s VAL 54 CO 0.12 0.00 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.86 1fr3 s THR 55 N -3.47 1.97 0.01 5.32 2.01 -1.26 -0.74 115.64 119.48 1fr3 s THR 55 Ca 0.35 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 1fr3 s THR 55 Cb 0.03 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1fr3 s THR 55 CO 0.21 0.34 1.00 0.00 -0.69 0.00 0.00 174.62 175.48 1fr3 s ALA 56 N 1.28 3.19 -0.09 7.40 0.00 0.36 -4.85 121.76 129.06 1fr3 s ALA 56 Ca 0.01 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1fr3 s ALA 56 Cb -0.15 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1fr3 s ALA 56 CO -0.10 -0.24 -0.23 -1.17 0.00 0.00 0.00 175.76 174.02 1fr3 s LEU 57 N 0.95 2.16 -0.05 0.00 2.96 -1.26 -0.71 118.68 122.74 1fr3 s LEU 57 Ca 0.52 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1fr3 s LEU 57 Cb -0.22 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.07 1fr3 s LEU 57 CO 0.28 0.18 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.76 1fr3 s VAL 58 N 0.23 0.53 0.35 1.68 1.01 -0.20 -5.01 120.40 118.99 1fr3 s VAL 58 Ca -0.15 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 1fr3 s VAL 58 Cb -0.17 -0.57 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 1fr3 s VAL 58 CO 0.08 0.23 1.30 -0.75 0.00 0.00 0.00 175.10 175.96 1fr3 s LYS 59 N 1.07 4.25 0.37 2.72 2.20 -1.26 -1.84 119.74 127.25 1fr3 s LYS 59 Ca -0.09 2.20 0.08 0.00 -0.36 0.00 0.00 55.97 57.80 1fr3 s LYS 59 Cb -0.14 -2.98 0.81 0.00 -1.51 0.00 0.00 37.83 34.01 1fr3 s LYS 59 CO -0.01 -0.27 1.94 0.00 -0.36 0.00 0.00 175.35 176.65 1fr3 h ALA 60 N 3.19 1.79 0.00 3.13 0.00 -1.93 -0.55 119.26 124.89 1fr3 h ALA 60 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1fr3 h ALA 60 Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1fr3 h ALA 60 CO 0.65 0.06 0.00 0.25 0.00 0.00 0.00 179.25 180.20 1fr3 n THR 61 N -4.49 0.93 -0.39 0.00 -2.24 -1.26 -2.43 114.28 104.40 1fr3 n THR 61 Ca 0.12 0.23 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1fr3 n THR 61 Cb 0.31 -1.00 0.28 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.60 2.97 -3.86 -0.78 4.71 -0.22 -4.91 120.64 116.96 1fr3 n GLU 62 Ca 0.03 -2.55 -0.36 0.00 -0.01 0.00 0.00 57.16 54.28 1fr3 n GLU 62 Cb 0.19 -1.56 -0.13 0.00 -1.01 0.00 0.00 31.44 28.92 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 -1.23 3.39 0.46 3.49 1.75 -1.02 -4.95 119.30 121.21 1fr3 s MET 63 Ca 0.42 -0.63 -0.00 0.00 -1.25 0.00 0.00 55.69 54.23 1fr3 s MET 63 Cb 0.24 -3.12 -0.00 0.00 2.84 0.00 0.00 34.83 34.78 1fr3 s MET 63 CO 0.26 -0.23 0.69 -1.21 -0.65 0.00 0.00 175.02 173.89 1fr3 s GLU 64 N 1.51 3.06 -0.09 4.11 2.02 -1.26 -5.06 118.70 123.00 1fr3 s GLU 64 Ca 0.05 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 54.65 1fr3 s GLU 64 Cb -0.15 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1fr3 s GLU 64 CO -0.01 -0.31 -0.20 0.08 0.02 0.00 0.00 175.26 174.84 1fr3 s VAL 65 N -2.60 1.74 -0.05 2.63 1.01 -1.26 -5.13 120.40 116.74 1fr3 s VAL 65 Ca 0.49 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1fr3 s VAL 65 Cb -0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1fr3 s VAL 65 CO 0.39 0.49 -0.17 -0.76 0.00 0.00 0.00 175.10 175.05 1fr3 s LEU 66 N 0.47 2.60 0.00 3.92 1.02 -1.26 -5.34 118.68 120.09 1fr3 s LEU 66 Ca -0.17 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 53.72 1fr3 s LEU 66 Cb -0.17 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.52 1fr3 s LEU 66 CO 0.07 0.32 0.00 1.17 0.02 0.00 0.00 176.35 177.93