#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa4 s THR 2 N 0.00 4.98 -0.32 3.84 2.01 -1.26 -4.75 115.64 120.14 1fa4 s THR 2 Ca 0.00 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 1fa4 s THR 2 Cb 0.00 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 1fa4 s THR 2 CO 0.00 0.43 0.68 -0.31 -0.69 0.00 0.00 174.62 174.73 1fa4 s TYR 3 N 0.57 3.19 -0.18 4.92 1.51 -1.17 -4.95 117.35 121.24 1fa4 s TYR 3 Ca 0.05 0.59 0.00 0.00 -1.01 0.00 0.00 57.07 56.71 1fa4 s TYR 3 Cb -0.12 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.65 1fa4 s TYR 3 CO 0.01 -0.54 -0.17 0.99 -1.11 0.00 0.00 175.55 174.73 1fa4 s THR 4 N 2.74 2.32 -0.43 -0.71 2.01 -1.26 0.22 115.64 120.52 1fa4 s THR 4 Ca 0.27 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.33 1fa4 s THR 4 Cb -0.15 -1.99 0.10 0.00 0.01 0.00 0.00 72.50 70.47 1fa4 s THR 4 CO 0.13 0.52 0.27 0.68 -0.69 0.00 0.00 174.62 175.53 1fa4 s VAL 5 N 1.27 4.04 -1.18 3.82 -7.23 0.43 -4.72 120.40 116.83 1fa4 s VAL 5 Ca 0.04 -1.63 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 1fa4 s VAL 5 Cb -0.13 -3.58 0.07 0.00 0.56 0.00 0.00 36.38 33.30 1fa4 s VAL 5 CO -0.10 -0.61 1.61 -0.75 -0.31 0.00 0.00 175.10 174.93 1fa4 s LYS 6 N 1.36 3.84 1.01 4.82 2.20 -1.23 -3.31 119.74 128.42 1fa4 s LYS 6 Ca 0.04 -1.70 -0.18 0.00 -0.36 0.00 0.00 55.97 53.77 1fa4 s LYS 6 Cb -0.24 -5.44 0.04 0.00 -1.51 0.00 0.00 37.83 30.68 1fa4 s LYS 6 CO 0.00 -2.21 -0.31 1.47 -0.36 0.00 0.00 175.35 173.94 1fa4 n LEU 7 N 8.41 -2.21 -1.25 5.43 -0.00 -1.25 -4.52 117.00 121.61 1fa4 n LEU 7 Ca 0.42 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.27 1fa4 n LEU 7 Cb 0.48 -0.75 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1fa4 n LEU 7 CO 0.72 -2.89 0.00 0.61 -0.00 0.00 0.00 177.39 175.83 1fa4 n GLY 8 N 2.60 -2.40 0.00 1.47 0.00 -0.77 -4.19 105.19 101.90 1fa4 n GLY 8 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1fa4 n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fa4 n SER 9 N 0.00 0.00 0.00 1.61 3.41 -1.06 -4.78 113.62 112.80 1fa4 n SER 9 Ca 0.00 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1fa4 n SER 9 Cb 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1fa4 n SER 9 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1fa4 n ASP 10 N -1.46 0.00 -2.91 4.04 -0.08 -1.26 -5.01 116.55 109.87 1fa4 n ASP 10 Ca 0.00 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 1fa4 n ASP 10 Cb 0.00 0.14 -0.01 0.00 2.34 0.00 0.00 41.12 43.59 1fa4 n ASP 10 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1fa4 n LYS 11 N -1.64 1.48 0.00 -0.67 3.00 -1.26 -4.93 118.16 114.14 1fa4 n LYS 11 Ca 0.00 -3.59 0.00 0.00 -0.00 0.00 0.00 58.31 54.72 1fa4 n LYS 11 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.39 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fa4 n GLY 12 N 0.04 -0.69 3.71 3.14 0.00 -1.26 -5.16 105.19 104.96 1fa4 n GLY 12 Ca 0.21 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.51 1fa4 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fa4 s LEU 13 N 0.00 3.15 -0.24 0.99 2.01 -1.26 -5.04 118.68 118.28 1fa4 s LEU 13 Ca 0.00 -0.91 -0.10 0.00 0.01 0.00 0.00 54.13 53.13 1fa4 s LEU 13 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 46.19 44.60 1fa4 s LEU 13 CO 0.00 -0.34 0.14 -0.76 1.01 0.00 0.00 176.35 176.39 1fa4 s LEU 14 N -3.82 3.92 0.07 1.79 1.43 -1.26 -2.57 118.68 118.23 1fa4 s LEU 14 Ca 0.38 0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.44 1fa4 s LEU 14 Cb -0.00 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1fa4 s LEU 14 CO 0.22 0.04 0.10 0.68 0.23 0.00 0.00 176.35 177.61 1fa4 s VAL 15 N 1.22 0.17 0.84 -1.59 -7.23 -1.26 -4.12 120.40 108.43 1fa4 s VAL 15 Ca 0.06 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.74 1fa4 s VAL 15 Cb -0.14 -1.32 0.10 0.00 0.56 0.00 0.00 36.38 35.57 1fa4 s VAL 15 CO 0.05 -0.76 1.09 -0.36 -0.31 0.00 0.00 175.10 174.81 1fa4 s PHE 16 N -3.66 2.56 -0.28 2.82 0.40 -1.26 -1.85 117.98 116.71 1fa4 s PHE 16 Ca 0.04 1.25 0.01 0.00 -0.60 0.00 0.00 56.93 57.62 1fa4 s PHE 16 Cb 0.05 -3.13 0.16 0.00 0.51 0.00 0.00 43.02 40.61 1fa4 s PHE 16 CO -0.10 -2.07 0.46 -1.21 0.70 0.00 0.00 175.22 173.00 1fa4 s GLU 17 N -5.02 0.44 0.85 0.44 2.02 -1.26 -3.76 118.70 112.42 1fa4 s GLU 17 Ca 0.62 0.45 -0.12 0.00 0.02 0.00 0.00 54.97 55.94 1fa4 s GLU 17 Cb -0.16 -0.14 0.10 0.00 0.10 0.00 0.00 34.13 34.03 1fa4 s GLU 17 CO 0.56 -0.85 1.15 -1.25 0.02 0.00 0.00 175.26 174.88 1fa4 s PRO 18 N 2.63 1.62 0.40 0.39 0.04 -1.26 -3.56 135.00 135.26 1fa4 s PRO 18 Ca 0.12 0.27 0.20 0.00 0.04 0.00 0.00 61.00 61.63 1fa4 s PRO 18 Cb -0.13 -1.90 0.77 0.00 0.04 0.00 0.00 34.50 33.28 1fa4 s PRO 18 CO -0.24 -1.86 1.77 0.00 0.04 0.00 0.00 177.00 176.71 1fa4 h ALA 19 N -1.25 1.01 -2.18 8.56 0.00 -1.96 -3.44 119.26 120.00 1fa4 h ALA 19 Ca -0.48 -0.29 -0.55 0.00 0.00 0.00 0.00 54.91 53.58 1fa4 h ALA 19 Cb 1.32 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1fa4 h ALA 19 CO 0.63 0.40 -0.63 0.15 0.00 0.00 0.00 179.25 179.80 1fa4 s LYS 20 N -3.64 2.33 -0.21 0.00 -0.14 -1.26 -4.06 119.74 112.76 1fa4 s LYS 20 Ca 0.00 -1.41 -0.04 0.00 -1.36 0.00 0.00 55.97 53.16 1fa4 s LYS 20 Cb 0.11 -2.18 0.09 0.00 -1.68 0.00 0.00 37.83 34.17 1fa4 s LYS 20 CO 0.67 0.35 0.19 -0.51 -0.76 0.00 0.00 175.35 175.28 1fa4 s LEU 21 N -3.69 0.03 -0.92 3.17 1.43 -1.24 -5.01 118.68 112.45 1fa4 s LEU 21 Ca 0.32 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 1fa4 s LEU 21 Cb -0.06 0.19 0.13 0.00 0.03 0.00 0.00 46.19 46.48 1fa4 s LEU 21 CO 0.20 -0.34 1.14 -0.89 0.23 0.00 0.00 176.35 176.69 1fa4 s THR 22 N 2.27 4.68 0.45 5.49 2.01 -1.26 0.22 115.64 129.50 1fa4 s THR 22 Ca 0.06 -1.50 0.08 0.00 0.31 0.00 0.00 61.69 60.64 1fa4 s THR 22 Cb -0.16 -4.79 0.02 0.00 0.01 0.00 0.00 72.50 67.58 1fa4 s THR 22 CO -0.14 -1.52 0.57 0.27 -0.69 0.00 0.00 174.62 173.11 1fa4 s ILE 23 N 2.83 2.77 0.00 1.82 -4.36 0.14 -4.91 121.20 119.49 1fa4 s ILE 23 Ca 0.33 -1.07 0.00 0.00 -0.26 0.00 0.00 60.65 59.65 1fa4 s ILE 23 Cb -0.05 -2.83 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1fa4 s ILE 23 CO -0.09 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.38 1fa4 n LYS 24 N -1.87 1.12 -1.08 0.37 5.02 -1.26 -2.97 118.16 117.48 1fa4 n LYS 24 Ca 0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.05 1fa4 n LYS 24 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.59 1fa4 n LYS 24 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1fa4 n PRO 25 N -0.42 2.62 0.00 1.97 -0.04 -1.26 -4.41 135.00 133.46 1fa4 n PRO 25 Ca 0.00 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1fa4 n PRO 25 Cb 0.00 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1fa4 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fa4 n GLY 26 N 3.84 0.73 3.10 0.55 0.00 -1.22 -4.19 105.19 108.00 1fa4 n GLY 26 Ca 0.57 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.45 1fa4 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fa4 n ASP 27 N 0.00 -3.69 -4.27 1.61 9.92 -1.26 -4.19 116.55 114.66 1fa4 n ASP 27 Ca 0.00 0.47 -0.28 0.00 -0.53 0.00 0.00 54.79 54.45 1fa4 n ASP 27 Cb 0.00 -1.48 -0.15 0.00 -0.64 0.00 0.00 41.12 38.85 1fa4 n ASP 27 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1fa4 s THR 28 N -0.99 1.82 0.09 -3.53 2.01 -1.26 -2.70 115.64 111.08 1fa4 s THR 28 Ca 0.00 -1.13 0.08 0.00 0.31 0.00 0.00 61.69 60.95 1fa4 s THR 28 Cb 0.00 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1fa4 s THR 28 CO 0.00 0.38 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.41 1fa4 s VAL 29 N -0.67 1.69 -0.06 3.82 1.01 -1.05 -3.02 120.40 122.11 1fa4 s VAL 29 Ca 0.09 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.65 1fa4 s VAL 29 Cb -0.09 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1fa4 s VAL 29 CO 0.01 -0.00 -0.15 -1.61 0.00 0.00 0.00 175.10 173.35 1fa4 s GLU 30 N -1.73 1.77 -0.24 2.72 2.02 0.59 -1.68 118.70 122.15 1fa4 s GLU 30 Ca 0.06 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 1fa4 s GLU 30 Cb -0.10 -1.49 0.08 0.00 0.10 0.00 0.00 34.13 32.73 1fa4 s GLU 30 CO 0.04 0.13 0.10 -0.06 0.02 0.00 0.00 175.26 175.48 1fa4 s PHE 31 N 0.35 0.56 0.09 1.61 0.40 -1.26 0.16 117.98 119.89 1fa4 s PHE 31 Ca -0.10 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 55.46 1fa4 s PHE 31 Cb -0.14 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.46 1fa4 s PHE 31 CO 0.03 -0.69 0.12 1.28 0.70 0.00 0.00 175.22 176.66 1fa4 n LEU 32 N 5.18 0.00 -4.89 -0.37 4.77 -1.21 -4.20 117.00 116.27 1fa4 n LEU 32 Ca -0.06 -0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 55.33 1fa4 n LEU 32 Cb 0.45 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1fa4 n LEU 32 CO 0.08 -0.52 -0.00 0.54 -1.33 0.00 0.00 177.39 176.16 1fa4 s ASN 33 N -1.54 5.23 0.00 -1.43 4.22 -1.26 -3.89 114.94 116.27 1fa4 s ASN 33 Ca 0.09 -0.61 0.00 0.00 -2.14 0.00 0.00 52.86 50.20 1fa4 s ASN 33 Cb -0.01 -0.73 0.00 0.00 1.28 0.00 0.00 41.25 41.79 1fa4 s ASN 33 CO 0.06 -0.57 0.00 -3.20 -2.04 0.00 0.00 177.10 171.35 1fa4 n ASN 34 N -1.54 0.00 -2.26 3.54 5.15 -1.26 -3.90 115.26 114.99 1fa4 n ASN 34 Ca 0.02 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.71 1fa4 n ASN 34 Cb 0.61 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.97 1fa4 n ASN 34 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1fa4 n LYS 35 N 0.00 2.47 -2.93 1.20 2.85 -1.26 -4.46 118.16 116.03 1fa4 n LYS 35 Ca 0.00 -3.08 -0.13 0.00 -1.05 0.00 0.00 58.31 54.05 1fa4 n LYS 35 Cb 0.00 -2.21 0.03 0.00 -0.65 0.00 0.00 35.03 32.20 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1fa4 n VAL 36 N -0.94 -0.12 -1.72 0.58 0.31 -1.26 -5.14 118.33 110.05 1fa4 n VAL 36 Ca 0.60 -2.77 -0.30 0.00 -0.01 0.00 0.00 64.34 61.86 1fa4 n VAL 36 Cb 1.04 0.61 0.17 0.00 -0.91 0.00 0.00 33.84 34.75 1fa4 n VAL 36 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1fa4 s PRO 37 N -0.73 0.57 0.44 5.55 0.04 -1.26 -4.74 135.00 134.87 1fa4 s PRO 37 Ca 0.30 -0.17 -0.06 0.00 0.04 0.00 0.00 61.00 61.11 1fa4 s PRO 37 Cb 0.29 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.98 1fa4 s PRO 37 CO -0.09 -2.50 0.75 -1.25 0.04 0.00 0.00 177.00 173.95 1fa4 s PRO 38 N -5.67 3.59 0.27 0.56 0.04 -1.26 -5.09 135.00 127.44 1fa4 s PRO 38 Ca 0.70 0.21 0.10 0.00 0.04 0.00 0.00 61.00 62.05 1fa4 s PRO 38 Cb -0.08 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1fa4 s PRO 38 CO 0.53 -0.12 -0.17 -1.01 0.04 0.00 0.00 177.00 176.28 1fa4 s HIS 39 N -2.59 2.14 0.14 0.56 3.76 -1.16 -4.63 115.29 113.51 1fa4 s HIS 39 Ca 0.47 -0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1fa4 s HIS 39 Cb -0.10 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.55 1fa4 s HIS 39 CO 0.40 0.59 0.06 1.21 -0.85 0.00 0.00 174.74 176.15 1fa4 s ASN 40 N -3.47 0.34 -0.12 1.40 3.84 -1.26 -1.52 114.94 114.14 1fa4 s ASN 40 Ca 0.28 -1.23 -0.03 0.00 0.21 0.00 0.00 52.86 52.10 1fa4 s ASN 40 Cb -0.03 0.30 0.05 0.00 -0.55 0.00 0.00 41.25 41.02 1fa4 s ASN 40 CO 0.13 -0.73 0.05 -0.69 -2.79 0.00 0.00 177.10 173.06 1fa4 s VAL 41 N -4.04 0.18 0.28 -5.21 1.01 -1.26 -4.54 120.40 106.82 1fa4 s VAL 41 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1fa4 s VAL 41 Cb 0.07 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1fa4 s VAL 41 CO 0.03 -0.03 0.33 -0.69 0.00 0.00 0.00 175.10 174.74 1fa4 s VAL 42 N 2.03 0.00 -0.18 2.92 1.01 -1.26 -2.73 120.40 122.19 1fa4 s VAL 42 Ca 0.03 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.21 1fa4 s VAL 42 Cb -0.14 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.79 1fa4 s VAL 42 CO -0.07 0.00 -0.01 -0.36 0.00 0.00 0.00 175.10 174.67 1fa4 s PHE 43 N -3.63 1.46 0.26 5.22 0.40 -1.26 -3.16 117.98 117.27 1fa4 s PHE 43 Ca 0.34 -1.05 -0.30 0.00 -0.60 0.00 0.00 56.93 55.32 1fa4 s PHE 43 Cb 0.02 -1.20 -0.13 0.00 0.51 0.00 0.00 43.02 42.22 1fa4 s PHE 43 CO 0.18 -0.62 1.32 -3.47 0.70 0.00 0.00 175.22 173.32 1fa4 n ASP 44 N 4.93 2.50 -0.31 1.36 -0.08 -0.97 -4.85 116.55 119.12 1fa4 n ASP 44 Ca -0.10 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.48 1fa4 n ASP 44 Cb 0.47 -1.41 0.50 0.00 2.34 0.00 0.00 41.12 43.02 1fa4 n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fa4 n ALA 45 N 1.33 2.81 -0.51 -1.67 0.00 -1.26 -3.62 120.51 117.58 1fa4 n ALA 45 Ca 0.10 -0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.22 1fa4 n ALA 45 Cb 0.32 -1.19 0.24 0.00 0.00 0.00 0.00 19.45 18.82 1fa4 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fa4 n ALA 46 N -0.37 2.63 -2.72 0.00 0.00 -1.26 -4.52 120.51 114.27 1fa4 n ALA 46 Ca 0.16 -1.58 -0.06 0.00 0.00 0.00 0.00 53.44 51.96 1fa4 n ALA 46 Cb 0.33 -0.68 0.04 0.00 0.00 0.00 0.00 19.45 19.14 1fa4 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fa4 n LEU 47 N 0.45 1.43 -4.48 0.00 4.77 -1.24 -5.10 117.00 112.84 1fa4 n LEU 47 Ca 0.18 -3.48 -0.23 0.00 -0.03 0.00 0.00 56.01 52.45 1fa4 n LEU 47 Cb 0.68 0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 42.10 1fa4 n LEU 47 CO 0.14 1.39 -0.36 0.54 -1.33 0.00 0.00 177.39 177.78 1fa4 s ASN 48 N -3.32 3.09 0.38 -1.43 2.20 -1.26 -4.26 114.94 110.34 1fa4 s ASN 48 Ca 0.27 -1.23 0.20 0.00 -0.94 0.00 0.00 52.86 51.17 1fa4 s ASN 48 Cb 0.41 -0.23 0.51 0.00 -2.00 0.00 0.00 41.25 39.94 1fa4 s ASN 48 CO 0.01 -0.34 1.65 1.55 -2.94 0.00 0.00 177.10 177.03 1fa4 h PRO 49 N 2.15 0.00 -2.43 3.55 0.13 -1.91 -3.38 132.00 130.10 1fa4 h PRO 49 Ca -0.41 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.14 1fa4 h PRO 49 Cb 1.24 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.99 1fa4 h PRO 49 CO 0.69 0.30 -0.93 0.00 -0.23 0.00 0.00 178.00 177.84 1fa4 s ALA 50 N -3.32 1.17 -1.00 -0.56 0.00 -1.26 -5.06 121.76 111.74 1fa4 s ALA 50 Ca 0.03 -2.20 -0.21 0.00 0.00 0.00 0.00 51.96 49.58 1fa4 s ALA 50 Cb 0.08 -1.60 -0.28 0.00 0.00 0.00 0.00 23.12 21.32 1fa4 s ALA 50 CO 0.68 -2.03 2.44 1.17 0.00 0.00 0.00 175.76 178.03 1fa4 n LYS 51 N 3.31 0.00 -3.63 0.00 4.81 -1.26 -4.82 118.16 116.58 1fa4 n LYS 51 Ca 0.23 -0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.40 1fa4 n LYS 51 Cb 0.44 -1.27 -0.16 0.00 0.02 0.00 0.00 35.03 34.06 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1fa4 s SER 52 N 4.76 2.83 0.00 3.14 0.01 -1.26 -4.98 113.70 118.20 1fa4 s SER 52 Ca 1.34 -0.86 0.22 0.00 1.31 0.00 0.00 55.95 57.96 1fa4 s SER 52 Cb -1.06 -0.38 1.29 0.00 0.21 0.00 0.00 66.02 66.07 1fa4 s SER 52 CO 0.53 -0.36 1.70 0.00 0.41 0.00 0.00 173.24 175.51 1fa4 n ALA 53 N 5.20 2.29 -0.00 1.44 0.00 -1.26 -3.45 120.51 124.72 1fa4 n ALA 53 Ca -0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 1fa4 n ALA 53 Cb 0.47 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1fa4 n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1fa4 h ASP 54 N 0.00 -0.09 0.17 0.00 5.19 -1.97 -2.09 116.42 117.63 1fa4 h ASP 54 Ca 0.00 -0.50 -0.03 0.00 -0.62 0.00 0.00 57.03 55.88 1fa4 h ASP 54 Cb 0.03 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1fa4 h ASP 54 CO 0.00 0.58 -0.16 0.17 -3.12 0.00 0.00 179.24 176.71 1fa4 h LEU 55 N -0.90 0.00 -0.26 1.55 8.10 -1.97 -2.35 115.31 119.49 1fa4 h LEU 55 Ca -0.01 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.77 1fa4 h LEU 55 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 1fa4 h LEU 55 CO 0.02 0.16 -0.76 0.00 -4.11 0.00 0.00 178.44 173.75 1fa4 h ALA 56 N 1.84 0.42 -0.77 0.17 0.00 -1.64 -3.02 119.26 116.26 1fa4 h ALA 56 Ca -0.00 -0.60 0.22 0.00 0.00 0.00 0.00 54.91 54.52 1fa4 h ALA 56 Cb 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1fa4 h ALA 56 CO 0.02 0.72 0.55 0.87 0.00 0.00 0.00 179.25 181.41 1fa4 h LYS 57 N 0.44 0.03 -0.71 0.00 1.57 -0.81 0.57 116.57 117.66 1fa4 h LYS 57 Ca -0.04 -0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.23 1fa4 h LYS 57 Cb 1.37 -0.01 -0.34 0.00 0.08 0.00 0.00 32.23 33.33 1fa4 h LYS 57 CO 0.15 0.02 -0.41 -1.13 -0.57 0.00 0.00 179.45 177.50 1fa4 n SER 58 N -4.32 4.99 0.00 0.86 3.41 -1.15 -4.66 113.62 112.75 1fa4 n SER 58 Ca 0.15 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.99 1fa4 n SER 58 Cb 0.82 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1fa4 n LEU 59 N -0.82 0.09 -4.67 1.04 7.94 0.15 -4.76 117.00 115.97 1fa4 n LEU 59 Ca 0.45 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.92 1fa4 n LEU 59 Cb 0.90 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.83 1fa4 n LEU 59 CO 0.42 -0.32 0.91 -0.94 -1.11 0.00 0.00 177.39 176.35 1fa4 s SER 60 N -4.76 7.12 0.40 1.96 1.04 -0.98 -4.80 113.70 113.69 1fa4 s SER 60 Ca 0.00 1.51 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 1fa4 s SER 60 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1fa4 s SER 60 CO 0.00 -0.61 0.66 -1.38 0.98 0.00 0.00 173.24 172.90 1fa4 s HIS 61 N 2.79 3.53 0.00 5.02 -3.43 -1.10 -4.98 115.29 117.11 1fa4 s HIS 61 Ca 0.48 0.61 0.00 0.00 -0.80 0.00 0.00 55.06 55.35 1fa4 s HIS 61 Cb -0.18 -2.12 0.00 0.00 -1.43 0.00 0.00 32.58 28.86 1fa4 s HIS 61 CO 0.12 -0.06 0.00 1.63 -2.00 0.00 0.00 174.74 174.43 1fa4 n LYS 62 N -1.90 3.19 -2.00 -0.38 5.02 -1.26 -4.52 118.16 116.31 1fa4 n LYS 62 Ca -0.02 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.26 1fa4 n LYS 62 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.55 1fa4 n LYS 62 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1fa4 n GLN 63 N -0.08 -3.34 -1.65 1.97 7.27 -1.26 -4.86 117.38 115.43 1fa4 n GLN 63 Ca 0.00 2.62 -0.41 0.00 0.07 0.00 0.00 57.00 59.28 1fa4 n GLN 63 Cb 0.00 -3.44 0.01 0.00 2.41 0.00 0.00 30.24 29.23 1fa4 n GLN 63 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1fa4 n LEU 64 N 1.19 3.19 -4.46 1.69 4.32 -1.26 -4.87 117.00 116.79 1fa4 n LEU 64 Ca -0.09 1.06 -0.44 0.00 -0.02 0.00 0.00 56.01 56.53 1fa4 n LEU 64 Cb 0.14 -1.41 -0.02 0.00 -1.62 0.00 0.00 43.42 40.51 1fa4 n LEU 64 CO 0.08 -1.16 1.13 -0.76 -1.22 0.00 0.00 177.39 175.46 1fa4 s LEU 65 N -1.01 4.97 0.18 2.23 1.43 -0.58 -4.77 118.68 121.13 1fa4 s LEU 65 Ca 0.63 -2.28 0.17 0.00 -1.03 0.00 0.00 54.13 51.61 1fa4 s LEU 65 Cb -0.54 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 1fa4 s LEU 65 CO 0.57 -1.00 1.14 0.00 0.23 0.00 0.00 176.35 177.29 1fa4 h MET 66 N 8.41 0.00 -6.99 1.70 -0.00 -1.88 -3.08 114.93 113.09 1fa4 h MET 66 Ca 0.21 0.00 -0.45 0.00 -0.00 0.00 0.00 59.70 59.45 1fa4 h MET 66 Cb 0.98 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.56 1fa4 h MET 66 CO 1.16 0.34 0.34 0.45 -0.00 0.00 0.00 176.91 179.20 1fa4 s SER 67 N -6.04 7.10 -0.70 -0.10 0.15 -1.26 -4.93 113.70 107.92 1fa4 s SER 67 Ca 0.01 1.75 -0.27 0.00 0.70 0.00 0.00 55.95 58.14 1fa4 s SER 67 Cb 0.08 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1fa4 s SER 67 CO 0.78 -0.24 1.40 -2.16 1.20 0.00 0.00 173.24 174.21 1fa4 s PRO 68 N -2.71 3.09 0.00 5.44 0.04 -1.26 -3.14 135.00 136.46 1fa4 s PRO 68 Ca 0.57 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1fa4 s PRO 68 Cb -0.13 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1fa4 s PRO 68 CO 0.17 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1fa4 n GLY 69 N 5.43 2.32 3.60 0.56 0.00 -1.25 -4.99 105.19 110.86 1fa4 n GLY 69 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1fa4 n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fa4 s GLN 70 N -0.23 3.26 0.00 1.61 0.74 -1.19 -4.58 119.66 119.27 1fa4 s GLN 70 Ca 0.00 1.89 0.00 0.00 0.05 0.00 0.00 55.36 57.30 1fa4 s GLN 70 Cb 0.00 -4.30 0.00 0.00 1.10 0.00 0.00 33.01 29.81 1fa4 s GLN 70 CO 0.00 -1.95 0.00 -1.13 -0.55 0.00 0.00 175.29 171.66 1fa4 n SER 71 N 10.98 0.36 -3.55 6.67 3.41 -1.26 -4.48 113.62 125.75 1fa4 n SER 71 Ca 0.27 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.80 1fa4 n SER 71 Cb 0.45 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 1fa4 n SER 71 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fa4 s THR 72 N 0.53 -0.64 -0.62 6.66 2.01 -1.26 -5.06 115.64 117.26 1fa4 s THR 72 Ca 0.00 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 1fa4 s THR 72 Cb 0.00 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.82 1fa4 s THR 72 CO 0.00 0.01 1.27 -0.55 -0.69 0.00 0.00 174.62 174.66 1fa4 s SER 73 N 2.60 6.29 -0.42 3.53 0.15 -1.26 -4.29 113.70 120.30 1fa4 s SER 73 Ca 0.03 0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.41 1fa4 s SER 73 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1fa4 s SER 73 CO -0.14 -1.64 1.52 -0.89 1.20 0.00 0.00 173.24 173.30 1fa4 s THR 74 N 5.46 3.77 -1.28 6.45 2.01 -0.68 -4.83 115.64 126.53 1fa4 s THR 74 Ca 0.43 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 63.01 1fa4 s THR 74 Cb -0.08 -4.09 0.06 0.00 0.01 0.00 0.00 72.50 68.40 1fa4 s THR 74 CO 0.23 -0.73 1.74 0.28 -0.69 0.00 0.00 174.62 175.45 1fa4 s THR 75 N 5.99 4.08 0.49 -0.82 -1.32 -1.26 -2.54 115.64 120.25 1fa4 s THR 75 Ca 0.65 -1.81 -0.14 0.00 -1.21 0.00 0.00 61.69 59.17 1fa4 s THR 75 Cb -0.15 -5.16 -0.12 0.00 -1.51 0.00 0.00 72.50 65.56 1fa4 s THR 75 CO 0.32 -1.96 -0.21 0.49 -2.21 0.00 0.00 174.62 171.04 1fa4 n PHE 76 N 8.78 -2.72 -1.78 9.09 3.01 -1.10 -4.92 117.46 127.82 1fa4 n PHE 76 Ca 0.48 0.29 -0.29 0.00 1.01 0.00 0.00 57.45 58.94 1fa4 n PHE 76 Cb 0.46 -1.33 0.12 0.00 -0.01 0.00 0.00 39.48 38.72 1fa4 n PHE 76 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1fa4 s PRO 77 N -0.97 1.53 0.00 -1.08 0.04 -1.26 -4.48 135.00 128.77 1fa4 s PRO 77 Ca 0.44 0.10 0.09 0.00 0.04 0.00 0.00 61.00 61.66 1fa4 s PRO 77 Cb -0.35 -1.90 0.28 0.00 0.04 0.00 0.00 34.50 32.56 1fa4 s PRO 77 CO 0.56 -1.90 1.22 0.00 0.04 0.00 0.00 177.00 176.92 1fa4 n ALA 78 N -3.52 2.47 0.92 8.56 0.00 -1.26 -3.33 120.51 124.36 1fa4 n ALA 78 Ca 0.08 -0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.21 1fa4 n ALA 78 Cb 0.60 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 1fa4 n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fa4 n ASP 79 N 0.17 1.17 -3.97 0.00 8.00 -1.26 -4.86 116.55 115.79 1fa4 n ASP 79 Ca 0.09 -1.08 -0.46 0.00 0.71 0.00 0.00 54.79 54.04 1fa4 n ASP 79 Cb 0.20 0.87 -0.12 0.00 -0.02 0.00 0.00 41.12 42.06 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fa4 n ALA 80 N -1.12 0.23 -1.79 2.24 0.00 -1.21 -4.84 120.51 114.02 1fa4 n ALA 80 Ca 0.05 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 1fa4 n ALA 80 Cb 0.34 -1.97 -0.05 0.00 0.00 0.00 0.00 19.45 17.76 1fa4 n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1fa4 s PRO 81 N 6.75 4.27 0.21 0.00 0.04 -1.26 -4.69 135.00 140.31 1fa4 s PRO 81 Ca 1.16 1.38 -0.32 0.00 0.04 0.00 0.00 61.00 63.26 1fa4 s PRO 81 Cb -1.26 -2.52 -0.13 0.00 0.04 0.00 0.00 34.50 30.63 1fa4 s PRO 81 CO 0.53 -0.03 1.56 0.00 0.04 0.00 0.00 177.00 179.10 1fa4 n ALA 82 N -0.06 1.72 0.00 8.56 0.00 -1.25 -4.75 120.51 124.73 1fa4 n ALA 82 Ca 0.05 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1fa4 n ALA 82 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1fa4 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa4 n GLY 83 N 2.96 3.82 3.73 0.00 0.00 -1.26 -4.92 105.19 109.53 1fa4 n GLY 83 Ca 0.14 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1fa4 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fa4 s GLU 84 N -2.57 4.47 0.00 1.61 2.02 -1.26 -3.91 118.70 119.06 1fa4 s GLU 84 Ca 0.00 1.00 0.00 0.00 0.02 0.00 0.00 54.97 55.99 1fa4 s GLU 84 Cb 0.00 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1fa4 s GLU 84 CO 0.00 0.15 0.00 0.66 0.02 0.00 0.00 175.26 176.09 1fa4 n TYR 85 N 3.38 0.00 -2.99 1.61 4.02 -1.09 -4.38 117.16 117.71 1fa4 n TYR 85 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1fa4 n TYR 85 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1fa4 n TYR 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1fa4 s THR 86 N 0.53 -0.81 0.26 -0.72 2.01 -1.26 -4.34 115.64 111.31 1fa4 s THR 86 Ca 0.00 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1fa4 s THR 86 Cb 0.00 0.00 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 1fa4 s THR 86 CO 0.00 0.00 0.38 0.72 -0.69 0.00 0.00 174.62 175.03 1fa4 s PHE 87 N 1.59 3.39 0.00 4.92 -0.12 -0.05 -2.30 117.98 125.40 1fa4 s PHE 87 Ca 0.19 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 57.02 1fa4 s PHE 87 Cb -0.01 -1.65 0.00 0.00 -0.63 0.00 0.00 43.02 40.73 1fa4 s PHE 87 CO -0.08 0.35 0.00 2.48 -0.05 0.00 0.00 175.22 177.92 1fa4 n TYR 88 N -1.46 -0.30 -5.00 3.49 4.11 -1.19 -1.26 117.16 115.55 1fa4 n TYR 88 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.54 1fa4 n TYR 88 Cb 0.57 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.75 1fa4 n TYR 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1fa4 h GLU 90 N 6.37 0.54 0.06 0.00 4.22 -1.93 -3.29 114.58 120.55 1fa4 h GLU 90 Ca -0.30 -0.48 -0.00 0.00 0.08 0.00 0.00 59.36 58.66 1fa4 h GLU 90 Cb 1.19 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1fa4 h GLU 90 CO 0.47 1.11 -0.03 -1.00 -2.18 0.00 0.00 179.01 177.39 1fa4 h PRO 91 N 0.14 -0.08 -2.84 0.92 0.13 -1.96 -3.35 132.00 124.97 1fa4 h PRO 91 Ca -0.05 0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.37 1fa4 h PRO 91 Cb 1.26 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1fa4 h PRO 91 CO 0.12 0.41 3.08 0.72 -0.23 0.00 0.00 178.00 182.10 1fa4 n HIS 92 N -4.77 2.54 1.56 1.56 8.25 -1.26 -4.54 115.22 118.57 1fa4 n HIS 92 Ca -0.06 -2.95 0.15 0.00 -0.26 0.00 0.00 57.72 54.60 1fa4 n HIS 92 Cb 0.25 -2.15 0.79 0.00 1.12 0.00 0.00 29.99 30.00 1fa4 n HIS 92 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1fa4 n ARG 93 N 2.70 0.59 -0.16 -0.41 3.00 -1.24 -3.04 116.66 118.10 1fa4 n ARG 93 Ca 0.69 -0.02 0.06 0.00 -0.00 0.00 0.00 57.85 58.57 1fa4 n ARG 93 Cb 0.24 -1.50 0.13 0.00 0.00 0.00 0.00 32.46 31.33 1fa4 n ARG 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fa4 n GLY 94 N 1.22 3.63 1.06 5.14 0.00 -1.26 -4.57 105.19 110.41 1fa4 n GLY 94 Ca 0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 1fa4 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fa4 n ALA 95 N -0.48 4.06 -4.01 4.61 0.00 -1.17 -4.98 120.51 118.55 1fa4 n ALA 95 Ca 0.11 -3.44 -0.44 0.00 0.00 0.00 0.00 53.44 49.68 1fa4 n ALA 95 Cb 0.53 -0.35 0.02 0.00 0.00 0.00 0.00 19.45 19.65 1fa4 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa4 n GLY 96 N -0.97 -0.89 2.76 0.00 0.00 -1.26 -4.05 105.19 100.78 1fa4 n GLY 96 Ca 0.26 0.37 -0.35 0.00 0.00 0.00 0.00 46.02 46.30 1fa4 n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fa4 n MET 97 N -4.78 3.63 -3.94 1.61 2.81 -1.26 -4.47 117.12 110.72 1fa4 n MET 97 Ca -0.12 -4.21 -0.11 0.00 -1.81 0.00 0.00 57.70 51.44 1fa4 n MET 97 Cb 0.57 -2.31 -0.13 0.00 -0.71 0.00 0.00 33.22 30.65 1fa4 n MET 97 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1fa4 s VAL 98 N -4.92 0.10 0.32 2.03 0.11 -1.26 -1.87 120.40 114.91 1fa4 s VAL 98 Ca 0.48 -0.38 -0.08 0.00 -2.93 0.00 0.00 61.98 59.07 1fa4 s VAL 98 Cb 0.35 -0.15 0.01 0.00 -1.53 0.00 0.00 36.38 35.05 1fa4 s VAL 98 CO -0.26 -0.17 0.53 -0.83 -3.33 0.00 0.00 175.10 171.03 1fa4 s GLY 99 N -0.57 1.04 0.01 6.54 0.00 -0.39 -4.91 107.32 109.03 1fa4 s GLY 99 Ca -0.06 -1.21 0.05 0.00 0.00 0.00 0.00 44.72 43.51 1fa4 s GLY 99 CO -0.00 -0.78 -0.17 0.54 0.00 0.00 0.00 173.10 172.69 1fa4 s LYS 100 N -3.20 1.28 0.43 2.90 3.01 -1.26 -0.88 119.74 122.02 1fa4 s LYS 100 Ca 0.26 -0.68 -0.10 0.00 -1.01 0.00 0.00 55.97 54.43 1fa4 s LYS 100 Cb -0.01 -1.27 -0.06 0.00 -1.01 0.00 0.00 37.83 35.48 1fa4 s LYS 100 CO 0.16 0.34 0.80 0.42 0.51 0.00 0.00 175.35 177.57 1fa4 s ILE 101 N -0.54 4.78 -0.42 2.17 1.01 -1.26 -3.64 121.20 123.30 1fa4 s ILE 101 Ca 0.06 0.62 -0.00 0.00 0.00 0.00 0.00 60.65 61.33 1fa4 s ILE 101 Cb -0.07 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.76 1fa4 s ILE 101 CO 0.00 -0.60 0.19 -0.89 0.00 0.00 0.00 174.94 173.64 1fa4 s THR 102 N -2.47 3.00 -1.12 2.92 2.01 0.61 -2.68 115.64 117.91 1fa4 s THR 102 Ca 0.51 -2.32 -0.09 0.00 0.31 0.00 0.00 61.69 60.11 1fa4 s THR 102 Cb -0.10 -3.08 0.28 0.00 0.01 0.00 0.00 72.50 69.60 1fa4 s THR 102 CO 0.34 -0.69 1.19 0.52 -0.69 0.00 0.00 174.62 175.29 1fa4 n VAL 103 N 4.28 4.65 -1.91 3.82 0.31 -1.25 0.28 118.33 128.51 1fa4 n VAL 103 Ca 0.01 -5.41 -0.41 0.00 -0.01 0.00 0.00 64.34 58.52 1fa4 n VAL 103 Cb 0.41 -2.52 -0.02 0.00 -0.91 0.00 0.00 33.84 30.80 1fa4 n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fa4 s ALA 104 N -1.28 3.64 0.00 3.52 0.00 -1.16 -3.93 121.76 122.55 1fa4 s ALA 104 Ca 0.32 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1fa4 s ALA 104 Cb -0.08 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1fa4 s ALA 104 CO -0.05 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.26