#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 3.72 -0.09 0.03 1.02 -1.26 -5.06 119.74 118.09 1fr3 s LYS 2 Ca 0.00 1.04 0.02 0.00 0.02 0.00 0.00 55.97 57.05 1fr3 s LYS 2 Cb 0.00 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1fr3 s LYS 2 CO 0.00 -0.47 -0.13 0.42 -0.92 0.00 0.00 175.35 174.25 1fr3 s ILE 3 N -2.57 1.27 0.35 2.17 1.01 -1.26 -5.03 121.20 117.14 1fr3 s ILE 3 Ca 0.61 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1fr3 s ILE 3 Cb -0.12 -1.18 0.23 0.00 0.01 0.00 0.00 42.46 41.40 1fr3 s ILE 3 CO 0.34 0.39 1.97 0.77 0.00 0.00 0.00 174.94 178.41 1fr3 h SER 4 N 7.37 0.65 -1.46 3.58 4.64 -2.02 -3.42 113.55 122.89 1fr3 h SER 4 Ca -0.31 -0.05 -0.69 0.00 -0.47 0.00 0.00 61.79 60.28 1fr3 h SER 4 Cb 1.17 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1fr3 h SER 4 CO 0.47 0.54 1.13 0.61 -0.87 0.00 0.00 176.83 178.71 1fr3 n GLY 5 N -1.27 0.85 0.13 -0.77 0.00 -1.26 -4.83 105.19 98.04 1fr3 n GLY 5 Ca 0.05 0.92 -0.02 0.00 0.00 0.00 0.00 46.02 46.97 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 9.46 0.00 -5.67 1.61 2.47 -1.81 -3.44 114.38 117.01 1fr3 h ARG 6 Ca -0.40 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.69 1fr3 h ARG 6 Cb 1.31 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.50 1fr3 h ARG 6 CO 0.98 0.66 0.28 -0.80 0.56 0.00 0.00 179.97 181.66 1fr3 s ASN 7 N -6.82 6.39 -0.22 7.04 0.01 -0.82 -5.00 114.94 115.51 1fr3 s ASN 7 Ca -0.01 -0.17 -0.03 0.00 -0.71 0.00 0.00 52.86 51.94 1fr3 s ASN 7 Cb 0.12 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1fr3 s ASN 7 CO 0.77 -0.87 -0.07 -0.54 -1.51 0.00 0.00 177.10 174.88 1fr3 s LYS 8 N 3.14 3.22 -0.28 -0.60 3.01 -1.26 -1.73 119.74 125.23 1fr3 s LYS 8 Ca 0.28 -0.72 0.01 0.00 -1.01 0.00 0.00 55.97 54.52 1fr3 s LYS 8 Cb -0.13 -2.94 0.06 0.00 -1.01 0.00 0.00 37.83 33.81 1fr3 s LYS 8 CO 0.21 -0.24 -0.06 -0.51 0.51 0.00 0.00 175.35 175.26 1fr3 s LEU 9 N 1.42 3.65 -0.58 3.17 1.43 0.05 -4.94 118.68 122.88 1fr3 s LEU 9 Ca 0.05 -1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 51.50 1fr3 s LEU 9 Cb -0.14 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1fr3 s LEU 9 CO -0.05 -0.22 1.32 -1.61 0.23 0.00 0.00 176.35 176.02 1fr3 s GLU 10 N 1.16 3.38 0.43 1.70 2.02 -1.26 -0.27 118.70 125.85 1fr3 s GLU 10 Ca -0.07 0.34 0.03 0.00 0.02 0.00 0.00 54.97 55.29 1fr3 s GLU 10 Cb -0.20 -4.08 -0.01 0.00 0.10 0.00 0.00 34.13 29.94 1fr3 s GLU 10 CO -0.03 -1.85 0.09 0.00 0.02 0.00 0.00 175.26 173.49 1fr3 n ALA 11 N 9.13 0.51 -3.02 5.21 0.00 -0.13 -4.77 120.51 127.44 1fr3 n ALA 11 Ca 0.10 -2.09 -0.30 0.00 0.00 0.00 0.00 53.44 51.16 1fr3 n ALA 11 Cb 0.49 1.31 -0.17 0.00 0.00 0.00 0.00 19.45 21.09 1fr3 n ALA 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fr3 s THR 12 N -2.96 1.81 0.02 0.00 2.01 -0.67 -1.40 115.64 114.46 1fr3 s THR 12 Ca 0.13 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1fr3 s THR 12 Cb 0.01 -1.56 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 1fr3 s THR 12 CO 0.09 0.51 1.46 -0.69 -0.69 0.00 0.00 174.62 175.30 1fr3 s VAL 13 N 0.15 3.54 -0.26 3.82 1.01 -0.42 -0.38 120.40 127.86 1fr3 s VAL 13 Ca -0.10 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.74 1fr3 s VAL 13 Cb -0.15 -3.61 -0.15 0.00 0.00 0.00 0.00 36.38 32.47 1fr3 s VAL 13 CO 0.05 0.00 -0.21 1.17 0.00 0.00 0.00 175.10 176.11 1fr3 n LYS 14 N 5.35 0.62 -3.72 2.72 4.81 0.15 -0.30 118.16 127.78 1fr3 n LYS 14 Ca 0.14 0.26 -0.13 0.00 -0.87 0.00 0.00 58.31 57.70 1fr3 n LYS 14 Cb 0.43 -1.54 -0.08 0.00 0.02 0.00 0.00 35.03 33.86 1fr3 n LYS 14 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1fr3 s GLU 15 N -2.50 0.79 -0.07 1.64 2.12 -0.90 -4.80 118.70 114.98 1fr3 s GLU 15 Ca -0.36 -0.30 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 1fr3 s GLU 15 Cb 0.12 0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.88 1fr3 s GLU 15 CO 0.55 -0.24 -0.04 0.42 -0.54 0.00 0.00 175.26 175.41 1fr3 s ILE 16 N -1.94 0.61 -0.21 -3.70 1.01 -1.26 -0.29 121.20 115.42 1fr3 s ILE 16 Ca -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1fr3 s ILE 16 Cb -0.03 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.77 1fr3 s ILE 16 CO 0.01 0.28 -0.10 -0.69 0.00 0.00 0.00 174.94 174.44 1fr3 s VAL 17 N 1.53 2.81 -0.23 2.92 1.01 -0.35 -4.97 120.40 123.13 1fr3 s VAL 17 Ca -0.01 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1fr3 s VAL 17 Cb -0.13 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1fr3 s VAL 17 CO -0.04 0.43 0.14 -0.54 0.00 0.00 0.00 175.10 175.08 1fr3 s LYS 18 N 1.38 4.04 0.00 2.72 1.02 -1.26 -0.51 119.74 127.13 1fr3 s LYS 18 Ca 0.05 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1fr3 s LYS 18 Cb -0.14 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1fr3 s LYS 18 CO -0.07 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1fr3 n GLY 19 N 4.15 2.28 0.16 -3.33 0.00 0.79 -5.01 105.19 104.23 1fr3 n GLY 19 Ca -0.15 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 0.06 1.41 0.00 2.61 2.02 -2.03 -3.41 112.91 113.58 1fr3 h THR 20 Ca 0.00 -2.31 -0.00 0.00 0.77 0.00 0.00 66.41 64.87 1fr3 h THR 20 Cb 0.00 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1fr3 h THR 20 CO 0.00 0.69 -1.01 0.52 0.37 0.00 0.00 175.52 176.09 1fr3 n VAL 21 N -3.78 0.01 -4.09 3.16 0.31 -1.26 -4.90 118.33 107.78 1fr3 n VAL 21 Ca -0.04 -0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.06 1fr3 n VAL 21 Cb 0.75 -0.98 -0.04 0.00 -0.91 0.00 0.00 33.84 32.66 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 -2.00 2.96 -0.02 5.55 -1.94 -1.26 -1.31 119.30 121.27 1fr3 s MET 22 Ca -0.00 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 52.95 1fr3 s MET 22 Cb 0.00 -2.58 0.01 0.00 2.01 0.00 0.00 34.83 34.26 1fr3 s MET 22 CO 0.00 0.39 -0.06 0.00 -0.01 0.00 0.00 175.02 175.34 1fr3 s ALA 23 N -2.13 0.64 -0.21 3.03 0.00 0.59 -0.15 121.76 123.53 1fr3 s ALA 23 Ca 0.33 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 1fr3 s ALA 23 Cb -0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1fr3 s ALA 23 CO 0.25 0.08 0.56 0.21 0.00 0.00 0.00 175.76 176.87 1fr3 s LYS 24 N 0.33 4.18 -0.36 0.00 2.20 0.33 -1.85 119.74 124.56 1fr3 s LYS 24 Ca -0.04 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 56.00 1fr3 s LYS 24 Cb -0.08 -3.58 0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1fr3 s LYS 24 CO 0.00 -0.22 0.13 0.42 -0.36 0.00 0.00 175.35 175.32 1fr3 s ILE 25 N 1.86 3.50 -0.14 5.43 -1.09 0.57 -1.21 121.20 130.12 1fr3 s ILE 25 Ca 0.25 -1.52 -0.17 0.00 -2.23 0.00 0.00 60.65 56.98 1fr3 s ILE 25 Cb -0.16 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 1fr3 s ILE 25 CO 0.10 -0.37 0.45 -0.69 -1.23 0.00 0.00 174.94 173.20 1fr3 s VAL 26 N 1.29 5.20 0.15 2.92 1.01 0.60 -0.73 120.40 130.84 1fr3 s VAL 26 Ca 0.01 0.87 0.07 0.00 0.00 0.00 0.00 61.98 62.93 1fr3 s VAL 26 Cb -0.21 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1fr3 s VAL 26 CO -0.00 0.32 -0.14 -0.04 0.00 0.00 0.00 175.10 175.23 1fr3 s MET 27 N 0.75 1.13 -0.19 2.72 -1.94 0.21 0.31 119.30 122.28 1fr3 s MET 27 Ca 0.24 -1.35 -0.06 0.00 -1.71 0.00 0.00 55.69 52.80 1fr3 s MET 27 Cb -0.15 -0.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.67 1fr3 s MET 27 CO 0.09 0.18 0.03 0.34 -0.01 0.00 0.00 175.02 175.65 1fr3 s ASP 28 N -2.72 5.23 -0.30 3.03 2.15 0.49 -0.64 116.67 123.92 1fr3 s ASP 28 Ca 0.13 -0.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.02 1fr3 s ASP 28 Cb -0.03 -1.90 0.10 0.00 -0.30 0.00 0.00 42.92 40.79 1fr3 s ASP 28 CO 0.04 0.12 0.13 -0.47 -0.17 0.00 0.00 175.17 174.82 1fr3 s TYR 29 N 0.69 0.51 -1.11 -5.34 5.04 0.53 -1.66 117.35 116.01 1fr3 s TYR 29 Ca 0.02 -1.03 -0.30 0.00 -2.44 0.00 0.00 57.07 53.32 1fr3 s TYR 29 Cb -0.14 -1.00 0.04 0.00 0.35 0.00 0.00 41.96 41.21 1fr3 s TYR 29 CO 0.02 -0.84 0.63 1.63 -1.34 0.00 0.00 175.55 175.66 1fr3 n LYS 30 N 5.14 -0.36 -0.24 4.97 5.02 -1.26 -0.86 118.16 130.56 1fr3 n LYS 30 Ca -0.05 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1fr3 n LYS 30 Cb 0.42 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 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 -2.00 1.87 3.36 0.72 0.00 -1.26 -5.03 105.19 102.85 1fr3 n GLY 31 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.02 2.26 -0.04 2.61 2.01 -0.04 -5.12 115.64 114.30 1fr3 s THR 32 Ca 0.00 -1.28 -0.19 0.00 0.31 0.00 0.00 61.69 60.53 1fr3 s THR 32 Cb 0.00 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 1fr3 s THR 32 CO 0.00 0.41 0.55 -0.70 -0.69 0.00 0.00 174.62 174.19 1fr3 s GLU 33 N -1.13 4.29 0.16 4.92 2.12 -1.26 -0.34 118.70 127.45 1fr3 s GLU 33 Ca 0.12 0.62 0.07 0.00 0.36 0.00 0.00 54.97 56.14 1fr3 s GLU 33 Cb -0.10 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1fr3 s GLU 33 CO 0.02 0.32 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.52 1fr3 s LEU 34 N 0.04 3.27 -0.06 2.70 1.43 0.19 -4.96 118.68 121.28 1fr3 s LEU 34 Ca 0.29 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1fr3 s LEU 34 Cb -0.17 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1fr3 s LEU 34 CO 0.15 0.11 0.02 -0.69 0.23 0.00 0.00 176.35 176.16 1fr3 s VAL 35 N -1.62 0.23 0.02 -1.59 1.01 -1.26 -0.62 120.40 116.57 1fr3 s VAL 35 Ca 0.26 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1fr3 s VAL 35 Cb -0.10 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1fr3 s VAL 35 CO 0.18 0.23 -0.21 0.00 0.00 0.00 0.00 175.10 175.29 1fr3 s ALA 36 N 1.90 2.44 -0.28 5.51 0.00 0.09 -4.96 121.76 126.46 1fr3 s ALA 36 Ca 0.03 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1fr3 s ALA 36 Cb -0.12 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 22.39 1fr3 s ALA 36 CO -0.04 0.55 -0.06 0.00 0.00 0.00 0.00 175.76 176.22 1fr3 s ALA 37 N -0.81 2.69 0.46 0.00 0.00 -1.26 -0.31 121.76 122.52 1fr3 s ALA 37 Ca 0.13 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.33 1fr3 s ALA 37 Cb -0.10 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1fr3 s ALA 37 CO 0.03 -1.25 0.09 0.96 0.00 0.00 0.00 175.76 175.59 1fr3 s ILE 38 N 1.16 0.72 0.45 0.00 -4.36 -0.77 -4.94 121.20 113.46 1fr3 s ILE 38 Ca -0.07 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.16 1fr3 s ILE 38 Cb -0.20 -2.22 -0.08 0.00 1.25 0.00 0.00 42.46 41.21 1fr3 s ILE 38 CO -0.03 0.00 0.90 0.42 0.24 0.00 0.00 174.94 176.47 1fr3 s THR 39 N -3.08 4.58 0.44 8.37 -4.23 -1.26 -0.30 115.64 120.16 1fr3 s THR 39 Ca 0.16 1.10 0.20 0.00 -1.18 0.00 0.00 61.69 61.96 1fr3 s THR 39 Cb 0.01 -3.69 0.23 0.00 1.34 0.00 0.00 72.50 70.39 1fr3 s THR 39 CO 0.10 -0.53 2.03 0.16 -0.54 0.00 0.00 174.62 175.85 1fr3 h ILE 40 N 1.26 0.90 -0.74 2.99 3.07 -1.45 -1.42 117.51 122.11 1fr3 h ILE 40 Ca -0.47 -0.58 0.12 0.00 1.55 0.00 0.00 64.86 65.47 1fr3 h ILE 40 Cb 1.18 1.33 -0.08 0.00 -0.27 0.00 0.00 36.82 38.98 1fr3 h ILE 40 CO 0.62 0.15 0.35 0.44 -1.05 0.00 0.00 178.15 178.67 1fr3 h ASP 41 N 0.00 0.41 -0.43 2.16 5.19 -1.92 -1.63 116.42 120.20 1fr3 h ASP 41 Ca -0.00 0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 1fr3 h ASP 41 Cb 0.32 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1fr3 h ASP 41 CO 0.02 0.21 -0.17 0.28 -3.12 0.00 0.00 179.24 176.46 1fr3 h SER 42 N 0.55 0.93 -0.48 6.45 0.02 -1.64 -0.99 113.55 118.39 1fr3 h SER 42 Ca 0.39 -0.32 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1fr3 h SER 42 Cb 0.49 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1fr3 h SER 42 CO -0.33 1.08 0.25 0.58 -1.14 0.00 0.00 176.83 177.27 1fr3 h VAL 43 N 0.81 0.97 -0.28 2.27 2.07 -1.11 -0.32 116.25 120.66 1fr3 h VAL 43 Ca 0.12 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1fr3 h VAL 43 Cb 0.71 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1fr3 h VAL 43 CO 0.05 0.09 0.02 0.00 0.02 0.00 0.00 177.57 177.76 1fr3 h ALA 44 N 1.25 0.38 -0.35 1.67 0.00 -1.25 0.43 119.26 121.38 1fr3 h ALA 44 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1fr3 h ALA 44 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1fr3 h ALA 44 CO -0.14 0.09 0.18 0.22 0.00 0.00 0.00 179.25 179.60 1fr3 h ASP 45 N 0.28 0.46 1.16 0.00 3.58 -0.92 -2.64 116.42 118.34 1fr3 h ASP 45 Ca 0.08 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1fr3 h ASP 45 Cb 0.38 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1fr3 h ASP 45 CO 0.01 0.44 -0.08 0.18 -2.88 0.00 0.00 179.24 176.91 1fr3 n LEU 46 N -4.75 0.43 -3.66 2.28 4.32 -0.15 -4.92 117.00 110.55 1fr3 n LEU 46 Ca -0.01 0.48 -0.22 0.00 -0.02 0.00 0.00 56.01 56.24 1fr3 n LEU 46 Cb 0.10 -0.38 0.05 0.00 -1.62 0.00 0.00 43.42 41.57 1fr3 n LEU 46 CO 0.36 -0.07 0.06 -0.67 -1.22 0.00 0.00 177.39 175.84 1fr3 n ASP 47 N -1.87 -2.85 -4.73 -1.43 -0.08 0.05 -4.91 116.55 100.74 1fr3 n ASP 47 Ca 0.06 -0.72 -0.42 0.00 -1.51 0.00 0.00 54.79 52.20 1fr3 n ASP 47 Cb 0.39 -4.43 -0.03 0.00 2.34 0.00 0.00 41.12 39.39 1fr3 n ASP 47 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1fr3 s LEU 48 N -6.81 4.39 0.04 -2.67 1.43 -0.68 -5.02 118.68 109.35 1fr3 s LEU 48 Ca 0.22 2.36 -0.06 0.00 -1.03 0.00 0.00 54.13 55.61 1fr3 s LEU 48 Cb -0.10 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1fr3 s LEU 48 CO 0.78 -0.60 0.12 0.68 0.23 0.00 0.00 176.35 177.56 1fr3 s VAL 49 N 0.66 0.12 0.23 -1.59 -7.23 -1.26 -4.96 120.40 106.37 1fr3 s VAL 49 Ca 0.61 -1.02 -0.31 0.00 -1.81 0.00 0.00 61.98 59.45 1fr3 s VAL 49 Cb -0.37 -0.86 -0.14 0.00 0.56 0.00 0.00 36.38 35.57 1fr3 s VAL 49 CO 0.34 -0.56 1.25 -2.65 -0.31 0.00 0.00 175.10 173.16 1fr3 n PRO 50 N 0.81 1.63 0.00 4.82 -0.02 -1.26 -1.87 135.00 139.10 1fr3 n PRO 50 Ca -0.19 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1fr3 n PRO 50 Cb 0.58 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.85 1.83 3.76 -1.23 0.00 0.59 -4.97 105.19 107.01 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 -1.62 6.79 -0.14 1.61 1.01 -0.78 -4.68 116.67 118.86 1fr3 s ASP 52 Ca 0.00 2.61 -0.29 0.00 0.71 0.00 0.00 52.55 55.58 1fr3 s ASP 52 Cb 0.00 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1fr3 s ASP 52 CO 0.00 -0.56 1.05 -0.54 0.21 0.00 0.00 175.17 175.33 1fr3 s LYS 53 N -1.12 4.36 0.21 8.23 -0.14 -1.26 -1.31 119.74 128.71 1fr3 s LYS 53 Ca 0.53 1.43 -0.00 0.00 -1.36 0.00 0.00 55.97 56.56 1fr3 s LYS 53 Cb -0.39 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.13 1fr3 s LYS 53 CO 0.47 -0.44 0.11 0.14 -0.76 0.00 0.00 175.35 174.88 1fr3 s VAL 54 N 2.45 0.20 -0.25 3.17 -7.23 -0.49 -5.00 120.40 113.26 1fr3 s VAL 54 Ca 0.48 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1fr3 s VAL 54 Cb -0.18 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.28 1fr3 s VAL 54 CO 0.15 -0.04 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.94 1fr3 s THR 55 N -4.01 2.75 0.01 5.32 2.01 -1.26 -0.96 115.64 119.50 1fr3 s THR 55 Ca 0.37 -1.13 -0.30 0.00 0.31 0.00 0.00 61.69 60.94 1fr3 s THR 55 Cb 0.07 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1fr3 s THR 55 CO 0.12 0.16 1.02 0.00 -0.69 0.00 0.00 174.62 175.23 1fr3 s ALA 56 N 1.29 3.20 -0.09 7.40 0.00 0.63 -4.84 121.76 129.35 1fr3 s ALA 56 Ca -0.01 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1fr3 s ALA 56 Cb -0.17 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1fr3 s ALA 56 CO -0.05 -0.26 -0.23 -1.17 0.00 0.00 0.00 175.76 174.05 1fr3 s LEU 57 N 1.00 2.18 -0.04 0.00 2.96 -1.26 -0.77 118.68 122.75 1fr3 s LEU 57 Ca 0.53 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1fr3 s LEU 57 Cb -0.23 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.06 1fr3 s LEU 57 CO 0.28 0.19 0.00 -0.69 -1.32 0.00 0.00 176.35 174.82 1fr3 s VAL 58 N 0.15 0.20 0.43 1.68 1.01 -0.71 -5.03 120.40 118.14 1fr3 s VAL 58 Ca -0.12 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1fr3 s VAL 58 Cb -0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 1fr3 s VAL 58 CO 0.07 0.18 1.25 -0.75 0.00 0.00 0.00 175.10 175.85 1fr3 s LYS 59 N 1.33 3.87 0.32 2.72 2.20 -1.26 -1.95 119.74 126.97 1fr3 s LYS 59 Ca -0.05 2.03 0.05 0.00 -0.36 0.00 0.00 55.97 57.63 1fr3 s LYS 59 Cb -0.13 -2.63 0.68 0.00 -1.51 0.00 0.00 37.83 34.24 1fr3 s LYS 59 CO -0.02 -0.54 1.86 0.00 -0.36 0.00 0.00 175.35 176.29 1fr3 h ALA 60 N 2.44 1.67 0.00 3.13 0.00 -1.92 -0.67 119.26 123.90 1fr3 h ALA 60 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1fr3 h ALA 60 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1fr3 h ALA 60 CO 0.62 0.11 0.00 0.25 0.00 0.00 0.00 179.25 180.22 1fr3 n THR 61 N -4.57 0.67 -0.43 0.00 -2.24 -1.26 -2.46 114.28 103.98 1fr3 n THR 61 Ca 0.17 0.17 0.08 0.00 -2.27 0.00 0.00 64.05 62.20 1fr3 n THR 61 Cb 0.38 -0.88 0.25 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.39 3.05 -4.12 -0.78 4.71 -0.26 -4.93 120.64 116.92 1fr3 n GLU 62 Ca 0.06 -2.47 -0.34 0.00 -0.01 0.00 0.00 57.16 54.40 1fr3 n GLU 62 Cb 0.17 -1.55 -0.14 0.00 -1.01 0.00 0.00 31.44 28.91 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 -1.45 3.37 0.49 3.49 1.75 -1.03 -4.94 119.30 120.98 1fr3 s MET 63 Ca 0.37 -0.64 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 1fr3 s MET 63 Cb 0.22 -2.90 0.01 0.00 2.84 0.00 0.00 34.83 35.01 1fr3 s MET 63 CO 0.20 -0.09 0.70 -1.21 -0.65 0.00 0.00 175.02 173.97 1fr3 s GLU 64 N 1.17 2.80 -0.06 4.11 2.02 -1.26 -5.05 118.70 122.43 1fr3 s GLU 64 Ca 0.02 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.34 1fr3 s GLU 64 Cb -0.14 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1fr3 s GLU 64 CO -0.02 -0.46 -0.16 0.08 0.02 0.00 0.00 175.26 174.71 1fr3 s VAL 65 N -2.62 1.40 0.01 2.63 1.01 -1.26 -5.14 120.40 116.43 1fr3 s VAL 65 Ca 0.53 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1fr3 s VAL 65 Cb -0.10 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1fr3 s VAL 65 CO 0.37 0.41 -0.21 -0.76 0.00 0.00 0.00 175.10 174.91 1fr3 s LEU 66 N 0.25 2.42 0.00 3.92 1.43 -1.26 -5.34 118.68 120.10 1fr3 s LEU 66 Ca -0.09 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1fr3 s LEU 66 Cb -0.13 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1fr3 s LEU 66 CO 0.03 0.29 0.00 1.17 0.23 0.00 0.00 176.35 178.07