#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfa s THR 6 N 0.00 2.85 0.01 -5.08 -4.23 -1.26 -5.00 115.64 102.92 3cfa s THR 6 Ca 0.00 -1.65 0.12 0.00 -1.18 0.00 0.00 61.69 58.98 3cfa s THR 6 Cb 0.00 -2.35 0.12 0.00 1.34 0.00 0.00 72.50 71.61 3cfa s THR 6 CO 0.00 -0.00 1.24 -0.62 -0.54 0.00 0.00 174.62 174.70 3cfa n GLU 7 N 0.48 0.08 -3.75 3.99 4.71 -1.26 -3.68 120.64 121.21 3cfa n GLU 7 Ca -0.14 0.55 -0.21 0.00 -0.01 0.00 0.00 57.16 57.36 3cfa n GLU 7 Cb 0.54 -2.09 -0.18 0.00 -1.01 0.00 0.00 31.44 28.71 3cfa n GLU 7 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3cfa s THR 8 N -3.27 0.13 -0.09 2.62 2.01 -1.26 -4.17 115.64 111.62 3cfa s THR 8 Ca -0.01 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.27 3cfa s THR 8 Cb 0.03 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.23 3cfa s THR 8 CO 0.11 0.21 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.04 3cfa s MET 9 N 1.91 2.23 0.49 4.92 -1.94 -0.22 -4.97 119.30 121.72 3cfa s MET 9 Ca 0.03 -0.59 -0.08 0.00 -1.71 0.00 0.00 55.69 53.33 3cfa s MET 9 Cb -0.12 -1.79 -0.05 0.00 2.01 0.00 0.00 34.83 34.88 3cfa s MET 9 CO -0.04 0.05 0.83 -1.25 -0.01 0.00 0.00 175.02 174.61 3cfa s PRO 10 N 0.63 3.64 0.04 2.03 0.04 -1.26 -1.44 135.00 138.69 3cfa s PRO 10 Ca -0.14 0.41 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 3cfa s PRO 10 Cb -0.16 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 3cfa s PRO 10 CO 0.04 -0.22 0.12 -0.59 0.04 0.00 0.00 177.00 176.38 3cfa s PHE 11 N -2.71 0.17 0.02 0.56 -0.12 0.13 -4.94 117.98 111.10 3cfa s PHE 11 Ca 0.50 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.94 3cfa s PHE 11 Cb -0.10 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.15 3cfa s PHE 11 CO 0.42 -0.39 -0.10 -0.98 -0.05 0.00 0.00 175.22 174.13 3cfa s ARG 12 N -2.68 0.69 0.01 1.99 1.70 -1.26 -1.62 118.95 117.79 3cfa s ARG 12 Ca -0.04 -0.51 0.05 0.00 -0.47 0.00 0.00 55.73 54.76 3cfa s ARG 12 Cb -0.01 -0.64 -0.02 0.00 -0.57 0.00 0.00 34.95 33.72 3cfa s ARG 12 CO -0.05 0.16 -0.16 1.41 -1.08 0.00 0.00 175.30 175.58 3cfa s MET 13 N -0.73 1.20 -0.01 3.89 1.75 0.33 -4.95 119.30 120.78 3cfa s MET 13 Ca -0.00 -0.68 0.06 0.00 -1.25 0.00 0.00 55.69 53.81 3cfa s MET 13 Cb -0.06 -1.20 -0.01 0.00 2.84 0.00 0.00 34.83 36.40 3cfa s MET 13 CO 0.00 0.32 -0.18 0.95 -0.65 0.00 0.00 175.02 175.46 3cfa s THR 14 N -0.58 1.45 -0.03 10.11 -4.23 -1.26 -0.27 115.64 120.83 3cfa s THR 14 Ca 0.05 -0.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 3cfa s THR 14 Cb -0.07 -1.21 0.03 0.00 1.34 0.00 0.00 72.50 72.59 3cfa s THR 14 CO 0.00 0.39 0.07 -0.32 -0.54 0.00 0.00 174.62 174.23 3cfa s MET 15 N -0.47 0.03 0.02 3.99 1.75 -0.32 -5.00 119.30 119.29 3cfa s MET 15 Ca 0.07 0.21 0.01 0.00 -1.25 0.00 0.00 55.69 54.74 3cfa s MET 15 Cb -0.07 -0.15 -0.01 0.00 2.84 0.00 0.00 34.83 37.43 3cfa s MET 15 CO -0.01 -0.12 -0.05 -1.83 -0.65 0.00 0.00 175.02 172.36 3cfa s GLU 16 N 0.82 0.41 0.22 4.11 -1.05 -1.26 -0.41 118.70 121.54 3cfa s GLU 16 Ca -0.07 -0.44 -0.22 0.00 -0.15 0.00 0.00 54.97 54.10 3cfa s GLU 16 Cb -0.09 -0.26 0.06 0.00 -0.44 0.00 0.00 34.13 33.39 3cfa s GLU 16 CO -0.03 0.06 0.92 0.20 0.95 0.00 0.00 175.26 177.35 3cfa s GLY 17 N -0.83 -0.02 -0.05 -3.83 0.00 -0.69 -5.02 107.32 96.88 3cfa s GLY 17 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3cfa s GLY 17 CO -0.00 0.56 -0.02 -1.59 0.00 0.00 0.00 173.10 172.05 3cfa s THR 18 N -2.92 0.41 -0.13 0.90 2.01 -1.26 -1.33 115.64 113.33 3cfa s THR 18 Ca 0.15 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 3cfa s THR 18 Cb -0.03 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.03 3cfa s THR 18 CO 0.05 0.21 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.41 3cfa s VAL 19 N 1.17 1.17 -1.45 3.82 1.01 -0.25 -4.79 120.40 121.07 3cfa s VAL 19 Ca -0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 3cfa s VAL 19 Cb -0.14 -1.17 0.08 0.00 0.00 0.00 0.00 36.38 35.15 3cfa s VAL 19 CO -0.01 0.37 0.71 0.59 0.00 0.00 0.00 175.10 176.76 3cfa n ASN 20 N 4.90 -4.36 0.00 3.32 4.13 -1.26 -0.97 115.26 121.02 3cfa n ASN 20 Ca -0.13 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.54 3cfa n ASN 20 Cb 0.50 -3.54 0.00 0.00 -1.54 0.00 0.00 39.78 35.20 3cfa n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cfa n GLY 21 N -1.42 1.48 3.59 7.41 0.00 -1.26 -5.02 105.19 109.96 3cfa n GLY 21 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3cfa n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cfa s HIS 22 N -2.87 3.19 0.16 1.61 3.76 -0.14 -5.06 115.29 115.94 3cfa s HIS 22 Ca 0.00 0.51 -0.22 0.00 -0.15 0.00 0.00 55.06 55.20 3cfa s HIS 22 Cb 0.00 -3.06 -0.08 0.00 1.11 0.00 0.00 32.58 30.56 3cfa s HIS 22 CO 0.00 -0.53 0.71 -1.01 -0.85 0.00 0.00 174.74 173.05 3cfa s HIS 23 N 2.66 3.80 0.15 1.40 3.76 -1.26 -1.09 115.29 124.71 3cfa s HIS 23 Ca 0.25 1.47 -0.16 0.00 -0.15 0.00 0.00 55.06 56.46 3cfa s HIS 23 Cb -0.15 -2.65 0.03 0.00 1.11 0.00 0.00 32.58 30.92 3cfa s HIS 23 CO 0.13 0.48 0.44 -0.59 -0.85 0.00 0.00 174.74 174.35 3cfa s PHE 24 N -1.26 -0.16 0.01 1.40 -0.12 -0.44 -4.22 117.98 113.18 3cfa s PHE 24 Ca 0.36 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 57.10 3cfa s PHE 24 Cb -0.20 0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 42.48 3cfa s PHE 24 CO 0.23 -0.77 -0.04 0.15 -0.05 0.00 0.00 175.22 174.73 3cfa s LYS 25 N -3.83 0.34 0.08 1.99 1.02 -0.65 -1.71 119.74 116.98 3cfa s LYS 25 Ca 0.05 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 55.79 3cfa s LYS 25 Cb 0.01 -0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.04 3cfa s LYS 25 CO -0.09 0.06 -0.12 0.00 -0.92 0.00 0.00 175.35 174.29 3cfa s THR 27 N -1.71 2.39 -0.02 0.00 -4.23 -0.57 -1.17 115.64 110.33 3cfa s THR 27 Ca -0.00 -2.36 -0.06 0.00 -1.18 0.00 0.00 61.69 58.09 3cfa s THR 27 Cb -0.07 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.51 3cfa s THR 27 CO 0.01 -0.40 0.12 -0.83 -0.54 0.00 0.00 174.62 172.98 3cfa s GLY 28 N -3.43 0.01 -0.08 3.99 0.00 0.63 -1.55 107.32 106.89 3cfa s GLY 28 Ca 0.28 0.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.99 3cfa s GLY 28 CO 0.14 -0.08 0.18 1.25 0.00 0.00 0.00 173.10 174.58 3cfa s LYS 29 N -0.84 0.13 0.12 2.90 2.20 -0.43 -0.51 119.74 123.31 3cfa s LYS 29 Ca -0.09 0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.87 3cfa s LYS 29 Cb -0.05 -0.15 0.02 0.00 -1.51 0.00 0.00 37.83 36.14 3cfa s LYS 29 CO 0.01 -0.16 0.29 0.41 -0.36 0.00 0.00 175.35 175.54 3cfa n GLY 30 N 4.15 1.52 3.41 5.54 0.00 -0.64 -0.26 105.19 118.91 3cfa n GLY 30 Ca -0.25 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 3cfa n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cfa s GLU 31 N -2.03 1.14 0.38 1.61 -1.05 -0.55 -0.69 118.70 117.52 3cfa s GLU 31 Ca 0.06 -0.31 -0.13 0.00 -0.15 0.00 0.00 54.97 54.44 3cfa s GLU 31 Cb -0.02 0.52 0.05 0.00 -0.44 0.00 0.00 34.13 34.25 3cfa s GLU 31 CO 0.04 -0.45 0.73 0.20 0.95 0.00 0.00 175.26 176.73 3cfa s GLY 32 N -2.27 0.63 -0.49 -3.83 0.00 -0.52 -1.49 107.32 99.34 3cfa s GLY 32 Ca -0.03 -0.93 -0.16 0.00 0.00 0.00 0.00 44.72 43.60 3cfa s GLY 32 CO -0.06 -0.46 0.45 -1.31 0.00 0.00 0.00 173.10 171.72 3cfa s ASN 33 N -3.11 6.17 0.30 1.64 -0.87 0.34 -1.05 114.94 118.35 3cfa s ASN 33 Ca 0.19 -1.36 -0.01 0.00 -1.57 0.00 0.00 52.86 50.11 3cfa s ASN 33 Cb -0.04 -2.20 0.47 0.00 -0.02 0.00 0.00 41.25 39.45 3cfa s ASN 33 CO 0.14 -0.73 1.96 -0.65 -2.57 0.00 0.00 177.10 175.25 3cfa h PRO 34 N 8.82 1.06 0.00 -0.60 0.11 -1.77 0.03 132.00 139.64 3cfa h PRO 34 Ca -0.29 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3cfa h PRO 34 Cb 1.11 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3cfa h PRO 34 CO 0.92 0.70 -0.88 0.74 -0.21 0.00 0.00 178.00 179.28 3cfa h PHE 35 N 1.09 0.00 -0.01 0.65 -1.00 -1.89 -3.29 116.94 112.49 3cfa h PHE 35 Ca 0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.10 3cfa h PHE 35 Cb -0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.50 3cfa h PHE 35 CO -0.00 0.31 -0.55 0.39 -1.61 0.00 0.00 178.31 176.85 3cfa n GLU 36 N -2.94 0.50 -2.06 1.51 -0.58 -1.03 -4.99 120.64 111.04 3cfa n GLU 36 Ca -0.02 -0.36 -0.07 0.00 -0.42 0.00 0.00 57.16 56.29 3cfa n GLU 36 Cb 0.69 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.06 3cfa n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cfa n GLY 37 N 1.44 0.14 3.35 0.62 0.00 -0.03 -5.03 105.19 105.68 3cfa n GLY 37 Ca 0.08 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 3cfa n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfa s THR 38 N -2.36 2.08 0.07 2.61 -4.23 -1.14 -5.01 115.64 107.65 3cfa s THR 38 Ca 0.00 -1.64 -0.27 0.00 -1.18 0.00 0.00 61.69 58.60 3cfa s THR 38 Cb 0.00 -1.84 0.07 0.00 1.34 0.00 0.00 72.50 72.07 3cfa s THR 38 CO 0.00 0.08 0.64 0.00 -0.54 0.00 0.00 174.62 174.80 3cfa s GLN 39 N -1.90 1.18 0.01 3.99 -2.07 -1.26 -0.50 119.66 119.11 3cfa s GLN 39 Ca 0.11 -0.15 0.02 0.00 -1.82 0.00 0.00 55.36 53.52 3cfa s GLN 39 Cb -0.10 0.55 -0.01 0.00 -1.09 0.00 0.00 33.01 32.36 3cfa s GLN 39 CO 0.05 -0.46 -0.07 -0.51 -1.32 0.00 0.00 175.29 172.99 3cfa s ASP 40 N -2.07 0.75 0.09 12.60 1.11 -0.56 -4.98 116.67 123.61 3cfa s ASP 40 Ca -0.04 -0.28 -0.09 0.00 0.18 0.00 0.00 52.55 52.32 3cfa s ASP 40 Cb -0.01 -0.03 -0.00 0.00 1.07 0.00 0.00 42.92 43.95 3cfa s ASP 40 CO -0.03 -0.04 0.19 0.00 1.18 0.00 0.00 175.17 176.47 3cfa s MET 41 N -0.70 0.84 -0.10 8.23 0.23 -1.26 -1.48 119.30 125.05 3cfa s MET 41 Ca -0.02 -0.95 0.02 0.00 -1.03 0.00 0.00 55.69 53.71 3cfa s MET 41 Cb -0.05 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 3cfa s MET 41 CO 0.00 -0.27 -0.16 0.15 -2.03 0.00 0.00 175.02 172.72 3cfa s LYS 42 N -3.82 3.06 -0.07 3.16 1.02 0.64 -4.97 119.74 118.77 3cfa s LYS 42 Ca 0.05 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.36 3cfa s LYS 42 Cb 0.05 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3cfa s LYS 42 CO -0.11 0.32 -0.24 0.42 -0.92 0.00 0.00 175.35 174.82 3cfa s ILE 43 N 0.05 2.02 -0.10 2.17 1.09 -1.26 -1.32 121.20 123.85 3cfa s ILE 43 Ca -0.06 -1.03 0.03 0.00 -1.10 0.00 0.00 60.65 58.50 3cfa s ILE 43 Cb -0.15 -1.73 -0.01 0.00 -1.06 0.00 0.00 42.46 39.52 3cfa s ILE 43 CO 0.05 0.56 -0.21 -0.70 -0.10 0.00 0.00 174.94 174.53 3cfa s GLU 44 N 0.05 3.00 -0.47 2.79 2.12 -0.60 -5.00 118.70 120.59 3cfa s GLU 44 Ca -0.10 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.13 3cfa s GLU 44 Cb -0.15 -2.35 0.03 0.00 0.26 0.00 0.00 34.13 31.91 3cfa s GLU 44 CO 0.06 0.25 1.04 0.08 -0.54 0.00 0.00 175.26 176.14 3cfa s VAL 45 N 0.19 4.33 -0.12 3.70 1.01 -1.26 -1.52 120.40 126.73 3cfa s VAL 45 Ca -0.13 0.98 0.21 0.00 0.00 0.00 0.00 61.98 63.04 3cfa s VAL 45 Cb -0.16 -4.53 -0.21 0.00 0.00 0.00 0.00 36.38 31.48 3cfa s VAL 45 CO 0.07 -0.94 0.65 2.30 0.00 0.00 0.00 175.10 177.17 3cfa n ILE 46 N 6.64 0.45 -3.96 2.22 -5.35 -0.22 -4.74 119.36 114.40 3cfa n ILE 46 Ca 0.09 -0.57 -0.13 0.00 -0.27 0.00 0.00 62.75 61.87 3cfa n ILE 46 Cb 0.49 -0.23 -0.14 0.00 -1.74 0.00 0.00 39.64 38.02 3cfa n ILE 46 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3cfa s GLU 47 N -3.31 0.17 -0.20 6.28 2.02 -1.05 -4.88 118.70 117.73 3cfa s GLU 47 Ca -0.05 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.76 3cfa s GLU 47 Cb 0.11 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.24 3cfa s GLU 47 CO 0.86 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.57 3cfa n GLY 48 N 2.75 0.54 3.95 -1.39 0.00 -1.26 -1.64 105.19 108.14 3cfa n GLY 48 Ca -0.14 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 3cfa n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfa s GLY 49 N -2.86 1.47 0.30 -0.02 0.00 -1.26 -4.04 107.32 100.91 3cfa s GLY 49 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.38 3cfa s GLY 49 CO 0.00 -0.94 1.27 2.56 0.00 0.00 0.00 173.10 175.99 3cfa s PRO 50 N -4.41 4.42 0.02 2.90 0.04 -1.26 -5.05 135.00 131.66 3cfa s PRO 50 Ca 0.44 2.10 -0.36 0.00 0.04 0.00 0.00 61.00 63.22 3cfa s PRO 50 Cb -0.10 -3.12 -0.15 0.00 0.04 0.00 0.00 34.50 31.17 3cfa s PRO 50 CO 0.36 -0.12 1.55 1.28 0.04 0.00 0.00 177.00 180.12 3cfa n LEU 51 N 1.24 2.43 -1.00 -3.56 4.77 -1.26 -4.85 117.00 114.76 3cfa n LEU 51 Ca 0.01 1.08 0.03 0.00 -0.03 0.00 0.00 56.01 57.10 3cfa n LEU 51 Cb 0.43 -1.27 0.15 0.00 -2.33 0.00 0.00 43.42 40.39 3cfa n LEU 51 CO 0.58 -0.59 0.48 -0.81 -1.33 0.00 0.00 177.39 175.72 3cfa n PRO 52 N 3.85 2.42 -3.84 3.23 -0.04 -1.26 -4.85 135.00 134.51 3cfa n PRO 52 Ca 0.20 -1.14 -0.10 0.00 -0.04 0.00 0.00 63.50 62.42 3cfa n PRO 52 Cb 0.22 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.85 3cfa n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3cfa s PHE 53 N -1.64 0.11 0.07 0.54 -0.12 -1.26 -5.13 117.98 110.55 3cfa s PHE 53 Ca 0.20 -0.47 -0.31 0.00 -0.05 0.00 0.00 56.93 56.31 3cfa s PHE 53 Cb 0.15 0.19 -0.09 0.00 -0.63 0.00 0.00 43.02 42.64 3cfa s PHE 53 CO 0.06 -0.83 1.80 0.00 -0.05 0.00 0.00 175.22 176.20 3cfa s ALA 54 N -3.91 3.68 0.57 1.99 0.00 -1.26 -4.87 121.76 117.96 3cfa s ALA 54 Ca 0.13 1.31 0.26 0.00 0.00 0.00 0.00 51.96 53.65 3cfa s ALA 54 Cb 0.01 -3.77 1.63 0.00 0.00 0.00 0.00 23.12 20.99 3cfa s ALA 54 CO -0.02 -1.30 2.20 0.35 0.00 0.00 0.00 175.76 176.99 3cfa h PHE 55 N 9.13 0.00 -1.11 0.00 3.57 -2.00 -2.93 116.94 123.59 3cfa h PHE 55 Ca -0.45 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.35 3cfa h PHE 55 Cb 1.21 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.86 3cfa h PHE 55 CO 0.84 0.00 0.72 -0.44 -2.23 0.00 0.00 178.31 177.20 3cfa h ASP 56 N 0.00 0.35 0.49 0.41 3.32 -2.02 0.25 116.42 119.22 3cfa h ASP 56 Ca 0.02 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3cfa h ASP 56 Cb 0.10 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3cfa h ASP 56 CO -0.00 0.03 0.00 2.30 -1.72 0.00 0.00 179.24 179.85 3cfa n ILE 57 N -4.58 1.06 0.85 0.35 -5.35 -1.11 -2.18 119.36 108.40 3cfa n ILE 57 Ca 0.27 0.28 0.10 0.00 -0.27 0.00 0.00 62.75 63.13 3cfa n ILE 57 Cb 1.02 -1.09 -0.12 0.00 -1.74 0.00 0.00 39.64 37.71 3cfa n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3cfa n LEU 58 N -1.66 0.86 -0.24 7.28 4.77 0.88 -4.65 117.00 124.23 3cfa n LEU 58 Ca 0.03 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3cfa n LEU 58 Cb 0.16 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.37 3cfa n LEU 58 CO 0.13 0.21 1.08 0.28 -1.33 0.00 0.00 177.39 177.76 3cfa h SER 59 N 0.00 0.50 0.22 -1.43 0.02 -1.42 -0.99 113.55 110.44 3cfa h SER 59 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3cfa h SER 59 Cb 0.54 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3cfa h SER 59 CO 0.00 0.30 0.00 0.35 -1.14 0.00 0.00 176.83 176.34 3cfa n THR 60 N -4.83 0.16 0.80 -2.27 -2.24 -1.26 -2.54 114.28 102.09 3cfa n THR 60 Ca 0.10 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 3cfa n THR 60 Cb 0.23 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 3cfa n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3cfa n SER 61 N -1.15 1.46 -0.26 3.42 7.64 -0.38 -5.25 113.62 119.10 3cfa n SER 61 Ca 0.14 -1.23 0.15 0.00 1.01 0.00 0.00 58.87 58.94 3cfa n SER 61 Cb 0.13 0.63 0.72 0.00 -1.01 0.00 0.00 64.21 64.69 3cfa n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03