#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 0.60 0.01 6.31 2.01 -1.26 -4.84 115.64 118.47 1fa4 s THR 2 Ca 0.00 -0.12 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 1fa4 s THR 2 Cb 0.00 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 1fa4 s THR 2 CO 0.00 0.25 0.52 -0.31 -0.69 0.00 0.00 174.62 174.39 1fa4 s TYR 3 N 1.14 3.72 -0.17 4.92 1.51 -1.15 -5.01 117.35 122.31 1fa4 s TYR 3 Ca -0.07 1.13 -0.05 0.00 -1.01 0.00 0.00 57.07 57.07 1fa4 s TYR 3 Cb -0.14 -2.47 0.06 0.00 -0.11 0.00 0.00 41.96 39.30 1fa4 s TYR 3 CO -0.01 0.50 0.08 0.99 -1.11 0.00 0.00 175.55 176.00 1fa4 s THR 4 N -0.68 0.00 -0.44 -0.71 2.01 -1.26 -1.30 115.64 113.27 1fa4 s THR 4 Ca 0.27 -0.18 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 1fa4 s THR 4 Cb -0.18 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.75 1fa4 s THR 4 CO 0.16 -0.24 0.46 0.68 -0.69 0.00 0.00 174.62 174.99 1fa4 s VAL 5 N 2.10 5.06 0.08 3.82 -7.23 0.99 -4.73 120.40 120.50 1fa4 s VAL 5 Ca 0.02 -0.40 -0.22 0.00 -1.81 0.00 0.00 61.98 59.56 1fa4 s VAL 5 Cb -0.16 -4.08 -0.07 0.00 0.56 0.00 0.00 36.38 32.63 1fa4 s VAL 5 CO -0.09 -0.49 0.67 -0.54 -0.31 0.00 0.00 175.10 174.35 1fa4 s LYS 6 N 2.18 4.39 -1.13 4.82 1.02 -1.24 -3.94 119.74 125.84 1fa4 s LYS 6 Ca 0.12 0.93 -0.10 0.00 0.02 0.00 0.00 55.97 56.94 1fa4 s LYS 6 Cb -0.18 -3.29 0.26 0.00 -0.52 0.00 0.00 37.83 34.10 1fa4 s LYS 6 CO 0.13 0.49 1.16 -0.48 -0.92 0.00 0.00 175.35 175.73 1fa4 s LEU 7 N -0.73 6.16 0.00 3.17 2.34 -1.20 -3.14 118.68 125.29 1fa4 s LEU 7 Ca 0.33 -3.51 0.00 0.00 0.06 0.00 0.00 54.13 51.02 1fa4 s LEU 7 Cb -0.21 -2.24 0.00 0.00 -0.56 0.00 0.00 46.19 43.19 1fa4 s LEU 7 CO 0.22 -0.36 0.00 0.61 -1.06 0.00 0.00 176.35 175.76 1fa4 n GLY 8 N 2.91 0.34 0.00 -3.48 0.00 -1.08 -3.76 105.19 100.13 1fa4 n GLY 8 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.57 1.61 3.41 -1.25 -4.07 113.62 111.75 1fa4 n SER 9 Ca 0.00 0.07 -0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1fa4 n SER 9 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.10 -0.51 -0.27 4.04 -0.08 -1.26 -4.87 116.55 113.51 1fa4 n ASP 10 Ca 0.00 -1.26 0.06 0.00 -1.51 0.00 0.00 54.79 52.08 1fa4 n ASP 10 Cb 0.00 0.22 0.08 0.00 2.34 0.00 0.00 41.12 43.76 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1fa4 n LYS 11 N -0.42 0.76 -2.69 -0.67 4.01 -1.26 -4.97 118.16 112.93 1fa4 n LYS 11 Ca -0.08 -1.96 -0.08 0.00 -0.51 0.00 0.00 58.31 55.68 1fa4 n LYS 11 Cb 0.58 -1.08 0.02 0.00 -0.51 0.00 0.00 35.03 34.03 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1fa4 n GLY 12 N -0.83 0.34 2.87 0.72 0.00 -1.26 -5.04 105.19 101.98 1fa4 n GLY 12 Ca 0.10 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.92 1.94 -0.35 0.99 1.43 -1.26 -5.05 118.68 113.47 1fa4 s LEU 13 Ca 0.15 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.13 1fa4 s LEU 13 Cb -0.07 -0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 1fa4 s LEU 13 CO 0.19 -0.01 0.23 -0.76 0.23 0.00 0.00 176.35 176.23 1fa4 s LEU 14 N 0.06 4.53 0.10 1.79 1.43 -1.26 -3.94 118.68 121.40 1fa4 s LEU 14 Ca -0.01 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 1fa4 s LEU 14 Cb -0.01 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.16 1fa4 s LEU 14 CO -0.00 -0.27 0.54 0.68 0.23 0.00 0.00 176.35 177.53 1fa4 s VAL 15 N 1.68 0.02 0.34 -1.59 -7.23 -1.26 -4.26 120.40 108.10 1fa4 s VAL 15 Ca 0.05 -0.19 -0.22 0.00 -1.81 0.00 0.00 61.98 59.81 1fa4 s VAL 15 Cb -0.18 -1.03 -0.10 0.00 0.56 0.00 0.00 36.38 35.64 1fa4 s VAL 15 CO 0.09 -0.11 0.88 -0.36 -0.31 0.00 0.00 175.10 175.29 1fa4 s PHE 16 N -3.17 3.51 -0.21 2.82 0.40 -1.26 -2.63 117.98 117.45 1fa4 s PHE 16 Ca -0.01 1.58 -0.05 0.00 -0.60 0.00 0.00 56.93 57.85 1fa4 s PHE 16 Cb -0.00 -2.79 0.07 0.00 0.51 0.00 0.00 43.02 40.81 1fa4 s PHE 16 CO -0.08 0.11 0.10 -1.21 0.70 0.00 0.00 175.22 174.84 1fa4 s GLU 17 N -2.55 0.14 0.97 0.44 0.41 -1.19 -3.21 118.70 113.72 1fa4 s GLU 17 Ca 0.53 -0.24 -0.16 0.00 -0.41 0.00 0.00 54.97 54.70 1fa4 s GLU 17 Cb -0.14 -1.66 0.19 0.00 -1.78 0.00 0.00 34.13 30.75 1fa4 s GLU 17 CO 0.19 -0.77 1.26 -1.25 -0.49 0.00 0.00 175.26 174.19 1fa4 s PRO 18 N 2.11 0.59 -0.01 0.39 0.04 -1.26 -3.73 135.00 133.13 1fa4 s PRO 18 Ca 0.04 -0.23 -0.19 0.00 0.04 0.00 0.00 61.00 60.66 1fa4 s PRO 18 Cb -0.16 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1fa4 s PRO 18 CO -0.17 -2.47 0.83 0.00 0.04 0.00 0.00 177.00 175.22 1fa4 h ALA 19 N -1.69 -0.73 -2.15 8.56 0.00 -1.96 -3.45 119.26 117.84 1fa4 h ALA 19 Ca -0.45 -0.15 -0.46 0.00 0.00 0.00 0.00 54.91 53.86 1fa4 h ALA 19 Cb 1.26 0.26 0.13 0.00 0.00 0.00 0.00 17.79 19.44 1fa4 h ALA 19 CO 0.43 -0.68 0.36 0.21 0.00 0.00 0.00 179.25 179.57 1fa4 s LYS 20 N -3.78 1.32 -0.29 0.00 2.20 -1.26 -4.15 119.74 113.78 1fa4 s LYS 20 Ca -0.10 -0.33 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 1fa4 s LYS 20 Cb 0.01 -1.97 0.19 0.00 -1.51 0.00 0.00 37.83 34.55 1fa4 s LYS 20 CO 0.29 -1.93 0.57 -1.17 -0.36 0.00 0.00 175.35 172.75 1fa4 s LEU 21 N -5.64 -1.42 -0.95 5.43 2.96 -1.15 -4.95 118.68 112.96 1fa4 s LEU 21 Ca 0.68 0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 54.83 1fa4 s LEU 21 Cb -0.07 1.98 0.11 0.00 0.50 0.00 0.00 46.19 48.71 1fa4 s LEU 21 CO 0.50 -0.29 1.21 -0.89 -1.32 0.00 0.00 176.35 175.56 1fa4 s THR 22 N 2.81 4.51 0.31 3.68 2.01 -1.26 0.14 115.64 127.84 1fa4 s THR 22 Ca 0.15 -1.35 0.06 0.00 0.31 0.00 0.00 61.69 60.85 1fa4 s THR 22 Cb -0.13 -4.85 -0.02 0.00 0.01 0.00 0.00 72.50 67.52 1fa4 s THR 22 CO -0.24 -1.62 0.44 0.27 -0.69 0.00 0.00 174.62 172.79 1fa4 s ILE 23 N 3.30 4.47 0.59 1.82 -5.25 -0.67 -4.90 121.20 120.56 1fa4 s ILE 23 Ca 0.36 -0.97 -0.04 0.00 -0.99 0.00 0.00 60.65 59.01 1fa4 s ILE 23 Cb -0.04 -3.56 0.02 0.00 2.95 0.00 0.00 42.46 41.83 1fa4 s ILE 23 CO -0.09 -0.22 0.88 -0.54 -1.79 0.00 0.00 174.94 173.17 1fa4 s LYS 24 N -4.13 2.71 -0.97 0.37 -0.14 -1.26 -3.82 119.74 112.50 1fa4 s LYS 24 Ca 0.41 -0.24 -0.24 0.00 -1.36 0.00 0.00 55.97 54.54 1fa4 s LYS 24 Cb -0.09 -2.32 -0.02 0.00 -1.68 0.00 0.00 37.83 33.72 1fa4 s LYS 24 CO 0.31 -0.77 1.80 -1.25 -0.76 0.00 0.00 175.35 174.67 1fa4 s PRO 25 N -4.96 2.90 0.00 -1.68 0.04 -1.26 -2.05 135.00 127.99 1fa4 s PRO 25 Ca 0.55 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1fa4 s PRO 25 Cb -0.10 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1fa4 s PRO 25 CO 0.43 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1fa4 n GLY 26 N 6.73 0.69 0.00 0.56 0.00 0.11 -4.04 105.19 109.24 1fa4 n GLY 26 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.49 -4.02 1.61 8.00 -0.87 -4.53 116.55 115.25 1fa4 n ASP 27 Ca 0.00 -0.10 -0.24 0.00 0.71 0.00 0.00 54.79 55.16 1fa4 n ASP 27 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 1fa4 n ASP 27 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1fa4 s THR 28 N -0.85 1.07 -0.20 -3.53 2.01 -1.26 -2.41 115.64 110.46 1fa4 s THR 28 Ca 0.00 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1fa4 s THR 28 Cb 0.00 -0.98 0.04 0.00 0.01 0.00 0.00 72.50 71.56 1fa4 s THR 28 CO 0.00 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 1fa4 s VAL 29 N 0.62 1.95 -0.17 3.82 1.01 -1.21 -2.96 120.40 123.46 1fa4 s VAL 29 Ca -0.13 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 1fa4 s VAL 29 Cb -0.15 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1fa4 s VAL 29 CO 0.03 0.28 0.15 -1.61 0.00 0.00 0.00 175.10 173.96 1fa4 s GLU 30 N 1.28 3.99 -0.37 2.72 0.41 -0.42 -3.48 118.70 122.83 1fa4 s GLU 30 Ca -0.00 -0.16 0.01 0.00 -0.41 0.00 0.00 54.97 54.40 1fa4 s GLU 30 Cb -0.16 -3.35 0.12 0.00 -1.78 0.00 0.00 34.13 28.96 1fa4 s GLU 30 CO -0.09 0.43 0.17 -0.06 -0.49 0.00 0.00 175.26 175.22 1fa4 s PHE 31 N -0.04 1.74 0.66 1.61 0.40 -1.26 -0.01 117.98 121.09 1fa4 s PHE 31 Ca 0.11 -2.04 0.05 0.00 -0.60 0.00 0.00 56.93 54.45 1fa4 s PHE 31 Cb -0.12 -1.72 0.12 0.00 0.51 0.00 0.00 43.02 41.82 1fa4 s PHE 31 CO 0.00 -0.83 0.91 -0.51 0.70 0.00 0.00 175.22 175.50 1fa4 s LEU 32 N 0.99 2.98 0.17 -0.37 1.02 -1.25 -4.50 118.68 117.72 1fa4 s LEU 32 Ca 0.14 -0.72 0.06 0.00 0.02 0.00 0.00 54.13 53.63 1fa4 s LEU 32 Cb -0.21 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 1fa4 s LEU 32 CO -0.11 -1.67 0.08 0.54 0.02 0.00 0.00 176.35 175.21 1fa4 s ASN 33 N -4.75 5.21 0.35 2.29 4.22 -1.26 -3.24 114.94 117.75 1fa4 s ASN 33 Ca 0.65 -0.25 0.00 0.00 -2.14 0.00 0.00 52.86 51.12 1fa4 s ASN 33 Cb -0.05 -1.26 0.00 0.00 1.28 0.00 0.00 41.25 41.22 1fa4 s ASN 33 CO 0.42 0.07 0.00 -3.20 -2.04 0.00 0.00 177.10 172.35 1fa4 n ASN 34 N -0.29 -2.21 -3.08 3.54 5.15 -1.25 -2.61 115.26 114.49 1fa4 n ASN 34 Ca -0.09 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 1fa4 n ASN 34 Cb 0.55 2.18 0.00 0.00 -0.53 0.00 0.00 39.78 41.98 1fa4 n ASN 34 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fa4 n LYS 35 N -3.35 2.26 -2.02 1.20 0.00 -1.25 -4.70 118.16 110.30 1fa4 n LYS 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.88 1fa4 n LYS 35 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1fa4 s VAL 36 N 0.00 3.53 0.87 3.15 1.01 -1.26 -4.98 120.40 122.72 1fa4 s VAL 36 Ca 0.00 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1fa4 s VAL 36 Cb 0.00 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.91 1fa4 s VAL 36 CO 0.00 -0.33 1.22 -2.16 0.00 0.00 0.00 175.10 173.83 1fa4 s PRO 37 N 5.23 1.22 0.00 2.72 0.04 -1.26 -4.84 135.00 138.11 1fa4 s PRO 37 Ca 0.78 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1fa4 s PRO 37 Cb -0.25 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1fa4 s PRO 37 CO 0.32 -1.99 0.00 -0.35 0.04 0.00 0.00 177.00 175.02 1fa4 n PRO 38 N -3.47 2.15 -3.60 0.56 -0.04 -1.26 -5.17 135.00 124.17 1fa4 n PRO 38 Ca 0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1fa4 n PRO 38 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 1fa4 n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fa4 s HIS 39 N 0.55 -0.73 0.07 0.54 3.76 -1.26 -4.98 115.29 113.23 1fa4 s HIS 39 Ca 0.00 1.63 0.06 0.00 -0.15 0.00 0.00 55.06 56.61 1fa4 s HIS 39 Cb 0.00 0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.97 1fa4 s HIS 39 CO 0.00 -0.45 -0.12 1.21 -0.85 0.00 0.00 174.74 174.53 1fa4 s ASN 40 N -0.14 4.25 -0.13 1.40 3.84 -1.26 -3.26 114.94 119.63 1fa4 s ASN 40 Ca -0.03 -0.36 -0.00 0.00 0.21 0.00 0.00 52.86 52.68 1fa4 s ASN 40 Cb -0.03 -0.81 0.03 0.00 -0.55 0.00 0.00 41.25 39.89 1fa4 s ASN 40 CO 0.04 0.22 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.80 1fa4 s VAL 41 N -1.09 1.14 0.32 -5.21 1.01 -1.26 -4.42 120.40 110.89 1fa4 s VAL 41 Ca 0.18 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1fa4 s VAL 41 Cb -0.11 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1fa4 s VAL 41 CO 0.10 0.31 0.57 0.68 0.00 0.00 0.00 175.10 176.76 1fa4 s VAL 42 N 1.65 0.00 -0.03 2.92 -7.23 -1.25 -3.08 120.40 113.38 1fa4 s VAL 42 Ca 0.04 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1fa4 s VAL 42 Cb -0.13 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1fa4 s VAL 42 CO -0.08 0.00 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.23 1fa4 s PHE 43 N -3.19 1.23 0.21 2.82 0.40 -1.26 -2.30 117.98 115.89 1fa4 s PHE 43 Ca 0.23 -0.34 -0.32 0.00 -0.60 0.00 0.00 56.93 55.90 1fa4 s PHE 43 Cb -0.02 -0.86 -0.12 0.00 0.51 0.00 0.00 43.02 42.53 1fa4 s PHE 43 CO 0.14 -0.14 1.71 -3.47 0.70 0.00 0.00 175.22 174.16 1fa4 n ASP 44 N 3.31 3.94 -0.10 1.36 -0.08 -0.98 -4.84 116.55 119.16 1fa4 n ASP 44 Ca -0.19 1.07 0.13 0.00 -1.51 0.00 0.00 54.79 54.29 1fa4 n ASP 44 Cb 0.54 -1.57 0.70 0.00 2.34 0.00 0.00 41.12 43.13 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 3.77 2.63 0.17 -1.67 0.00 -1.26 -3.08 120.51 121.07 1fa4 n ALA 45 Ca 0.15 -0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.47 1fa4 n ALA 45 Cb 0.35 -1.36 0.19 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.68 2.38 -2.94 0.00 0.00 -1.26 -4.53 120.51 113.48 1fa4 n ALA 46 Ca 0.19 -1.00 -0.20 0.00 0.00 0.00 0.00 53.44 52.43 1fa4 n ALA 46 Cb 0.14 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 1.21 2.57 -4.58 0.00 4.32 -1.18 -5.08 117.00 114.26 1fa4 n LEU 47 Ca 0.17 -5.04 -0.26 0.00 -0.02 0.00 0.00 56.01 50.86 1fa4 n LEU 47 Cb 0.53 0.12 -0.09 0.00 -1.62 0.00 0.00 43.42 42.37 1fa4 n LEU 47 CO 0.13 2.19 -0.39 0.54 -1.22 0.00 0.00 177.39 178.63 1fa4 s ASN 48 N -3.01 4.28 0.03 -1.43 2.20 -1.26 -4.55 114.94 111.20 1fa4 s ASN 48 Ca 0.42 -0.63 -0.16 0.00 -0.94 0.00 0.00 52.86 51.55 1fa4 s ASN 48 Cb 0.35 -0.72 -0.34 0.00 -2.00 0.00 0.00 41.25 38.54 1fa4 s ASN 48 CO -0.09 0.07 1.02 1.55 -2.94 0.00 0.00 177.10 176.71 1fa4 h PRO 49 N 2.61 0.55 -0.64 3.55 0.13 -1.89 -3.31 132.00 133.00 1fa4 h PRO 49 Ca -0.46 -0.88 -0.31 0.00 -0.87 0.00 0.00 66.00 63.48 1fa4 h PRO 49 Cb 1.22 0.32 -0.19 0.00 0.13 0.00 0.00 31.00 32.48 1fa4 h PRO 49 CO 0.56 1.42 0.25 0.00 -0.23 0.00 0.00 178.00 180.00 1fa4 n ALA 50 N -2.71 4.80 -3.54 -0.56 0.00 -1.26 -4.93 120.51 112.31 1fa4 n ALA 50 Ca -0.16 -2.94 -0.22 0.00 0.00 0.00 0.00 53.44 50.12 1fa4 n ALA 50 Cb 1.05 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1fa4 n ALA 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1fa4 n LYS 51 N -1.02 -0.90 -3.50 0.00 2.85 -1.25 -4.83 118.16 109.50 1fa4 n LYS 51 Ca 0.44 0.07 -0.42 0.00 -1.05 0.00 0.00 58.31 57.35 1fa4 n LYS 51 Cb 1.32 -2.53 -0.10 0.00 -0.65 0.00 0.00 35.03 33.07 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1fa4 s SER 52 N -3.27 6.04 0.35 -5.58 0.01 -1.26 -4.93 113.70 105.06 1fa4 s SER 52 Ca 0.22 -0.74 0.15 0.00 1.31 0.00 0.00 55.95 56.88 1fa4 s SER 52 Cb -0.13 -2.14 0.62 0.00 0.21 0.00 0.00 66.02 64.58 1fa4 s SER 52 CO 0.63 -0.37 1.73 0.00 0.41 0.00 0.00 173.24 175.65 1fa4 h ALA 53 N 8.56 1.09 0.00 1.44 0.00 -1.91 -2.49 119.26 125.95 1fa4 h ALA 53 Ca -0.28 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1fa4 h ALA 53 Cb 1.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1fa4 h ALA 53 CO 0.69 0.56 -0.16 0.22 0.00 0.00 0.00 179.25 180.56 1fa4 h ASP 54 N 0.00 0.00 0.56 0.00 3.58 -1.99 -2.81 116.42 115.76 1fa4 h ASP 54 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1fa4 h ASP 54 Cb 0.88 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 1fa4 h ASP 54 CO 0.06 0.16 -0.45 0.25 -2.88 0.00 0.00 179.24 176.37 1fa4 h LEU 55 N 0.00 -1.21 -1.74 2.28 5.85 -1.86 -1.97 115.31 116.66 1fa4 h LEU 55 Ca -0.00 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1fa4 h LEU 55 Cb 0.53 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1fa4 h LEU 55 CO 0.02 -0.64 -0.13 0.00 -0.34 0.00 0.00 178.44 177.35 1fa4 h ALA 56 N -1.09 1.18 -0.23 1.25 0.00 -1.70 -2.10 119.26 116.57 1fa4 h ALA 56 Ca -0.07 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1fa4 h ALA 56 Cb 0.82 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1fa4 h ALA 56 CO 0.00 0.16 -0.30 0.87 0.00 0.00 0.00 179.25 179.98 1fa4 h LYS 57 N 0.00 -0.20 0.00 0.00 1.79 -1.08 1.66 116.57 118.74 1fa4 h LYS 57 Ca -0.00 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1fa4 h LYS 57 Cb 0.43 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1fa4 h LYS 57 CO 0.02 -0.13 -0.49 0.77 -1.08 0.00 0.00 179.45 178.54 1fa4 h SER 58 N -0.21 0.00 0.30 0.86 0.02 -1.55 -3.35 113.55 109.62 1fa4 h SER 58 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1fa4 h SER 58 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1fa4 h SER 58 CO -0.33 0.31 -0.15 0.25 -1.14 0.00 0.00 176.83 175.77 1fa4 h LEU 59 N 0.00 -0.34 -9.53 5.07 5.85 -0.61 -3.44 115.31 112.30 1fa4 h LEU 59 Ca -0.02 -0.11 -0.52 0.00 0.84 0.00 0.00 57.88 58.07 1fa4 h LEU 59 Cb 1.25 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1fa4 h LEU 59 CO 0.04 0.13 0.37 -0.44 -0.34 0.00 0.00 178.44 178.20 1fa4 s SER 60 N -5.14 7.45 0.09 1.25 0.01 0.56 -4.89 113.70 113.02 1fa4 s SER 60 Ca -0.09 1.78 0.04 0.00 1.31 0.00 0.00 55.95 58.99 1fa4 s SER 60 Cb 0.01 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1fa4 s SER 60 CO 0.31 -0.13 0.03 -1.38 0.41 0.00 0.00 173.24 172.49 1fa4 s HIS 61 N 0.24 3.08 0.51 2.43 -3.43 -1.18 -4.70 115.29 112.24 1fa4 s HIS 61 Ca 0.48 0.02 0.08 0.00 -0.80 0.00 0.00 55.06 54.85 1fa4 s HIS 61 Cb -0.23 -1.57 0.05 0.00 -1.43 0.00 0.00 32.58 29.40 1fa4 s HIS 61 CO 0.30 0.50 0.70 0.15 -2.00 0.00 0.00 174.74 174.38 1fa4 s LYS 62 N -2.34 2.53 0.17 -0.38 1.02 -1.26 -4.69 119.74 114.78 1fa4 s LYS 62 Ca 0.27 -1.43 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1fa4 s LYS 62 Cb -0.12 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1fa4 s LYS 62 CO 0.20 -0.61 0.00 0.94 -0.92 0.00 0.00 175.35 174.96 1fa4 n GLN 63 N -2.09 -2.72 -1.28 1.68 0.00 -1.26 -4.95 117.38 106.77 1fa4 n GLN 63 Ca 0.12 2.03 -0.30 0.00 -0.00 0.00 0.00 57.00 58.85 1fa4 n GLN 63 Cb 0.60 -2.13 0.12 0.00 0.00 0.00 0.00 30.24 28.83 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1fa4 s LEU 64 N -1.10 2.47 0.57 1.69 1.02 -1.26 -4.94 118.68 117.13 1fa4 s LEU 64 Ca 0.00 1.52 -0.08 0.00 0.02 0.00 0.00 54.13 55.59 1fa4 s LEU 64 Cb 0.00 -4.03 -0.03 0.00 0.02 0.00 0.00 46.19 42.14 1fa4 s LEU 64 CO 0.00 -2.40 0.93 -0.76 0.02 0.00 0.00 176.35 174.14 1fa4 s LEU 65 N -6.08 3.36 0.00 1.79 1.43 -1.20 -4.99 118.68 112.98 1fa4 s LEU 65 Ca 0.62 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1fa4 s LEU 65 Cb -0.17 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1fa4 s LEU 65 CO 0.56 -0.81 0.66 0.23 0.23 0.00 0.00 176.35 177.22 1fa4 n MET 66 N -2.57 1.05 -4.96 1.70 2.81 -1.26 -4.49 117.12 109.40 1fa4 n MET 66 Ca 0.04 -0.84 -0.27 0.00 -1.81 0.00 0.00 57.70 54.82 1fa4 n MET 66 Cb 0.55 -0.69 -0.16 0.00 -0.71 0.00 0.00 33.22 32.21 1fa4 n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1fa4 s SER 67 N -0.36 2.35 -0.58 7.83 0.15 -1.26 -5.09 113.70 116.74 1fa4 s SER 67 Ca 0.00 -0.37 -0.28 0.00 0.70 0.00 0.00 55.95 56.00 1fa4 s SER 67 Cb 0.00 -0.40 0.03 0.00 -1.71 0.00 0.00 66.02 63.93 1fa4 s SER 67 CO 0.00 0.22 1.24 -2.16 1.20 0.00 0.00 173.24 173.74 1fa4 s PRO 68 N -0.30 3.46 0.00 5.44 0.04 -1.26 -3.57 135.00 138.81 1fa4 s PRO 68 Ca 0.04 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1fa4 s PRO 68 Cb -0.09 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1fa4 s PRO 68 CO 0.00 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1fa4 n GLY 69 N 5.11 1.02 2.70 0.56 0.00 -1.07 -4.97 105.19 108.53 1fa4 n GLY 69 Ca 0.09 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1fa4 n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fa4 s GLN 70 N -1.84 0.96 0.00 1.61 -0.21 -1.23 -4.89 119.66 114.06 1fa4 s GLN 70 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.12 1fa4 s GLN 70 Cb 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 33.01 33.52 1fa4 s GLN 70 CO 0.00 -1.32 0.00 -1.13 -2.12 0.00 0.00 175.29 170.72 1fa4 n SER 71 N 3.19 0.00 -4.59 5.90 3.41 -1.26 -4.74 113.62 115.53 1fa4 n SER 71 Ca 0.20 -0.92 -0.36 0.00 -0.26 0.00 0.00 58.87 57.53 1fa4 n SER 71 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1fa4 n SER 71 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1fa4 s THR 72 N 0.99 4.91 -0.90 6.66 -1.32 -1.26 -4.99 115.64 119.72 1fa4 s THR 72 Ca 0.00 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.25 1fa4 s THR 72 Cb 0.00 -3.27 0.03 0.00 -1.51 0.00 0.00 72.50 67.76 1fa4 s THR 72 CO 0.00 0.38 1.44 -0.94 -2.21 0.00 0.00 174.62 173.28 1fa4 s SER 73 N 1.00 6.25 -0.70 8.08 1.04 -1.26 -4.51 113.70 123.61 1fa4 s SER 73 Ca 0.05 -0.99 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 1fa4 s SER 73 Cb -0.14 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 1fa4 s SER 73 CO 0.03 -1.73 1.74 -0.89 0.98 0.00 0.00 173.24 173.37 1fa4 s THR 74 N 5.71 3.47 -1.03 2.02 2.01 -1.23 -4.90 115.64 121.70 1fa4 s THR 74 Ca 0.44 0.11 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 1fa4 s THR 74 Cb -0.04 -4.20 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1fa4 s THR 74 CO 0.00 -1.16 1.54 -0.89 -0.69 0.00 0.00 174.62 173.43 1fa4 s THR 75 N 8.36 3.87 0.52 -0.82 2.01 -1.26 -3.33 115.64 124.98 1fa4 s THR 75 Ca 0.60 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 1fa4 s THR 75 Cb -0.10 -4.93 -0.15 0.00 0.01 0.00 0.00 72.50 67.33 1fa4 s THR 75 CO 0.15 -1.81 -0.10 0.49 -0.69 0.00 0.00 174.62 172.65 1fa4 n PHE 76 N 9.57 -2.83 -1.72 4.92 3.01 -1.01 -4.92 117.46 124.48 1fa4 n PHE 76 Ca 0.35 0.45 -0.29 0.00 1.01 0.00 0.00 57.45 58.97 1fa4 n PHE 76 Cb 0.50 -1.70 0.10 0.00 -0.01 0.00 0.00 39.48 38.37 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 -1.08 1.85 0.00 -1.08 0.04 -1.26 -4.08 135.00 129.39 1fa4 s PRO 77 Ca 0.57 0.31 0.16 0.00 0.04 0.00 0.00 61.00 62.08 1fa4 s PRO 77 Cb -0.49 -1.92 0.80 0.00 0.04 0.00 0.00 34.50 32.93 1fa4 s PRO 77 CO 0.66 -1.71 1.54 0.00 0.04 0.00 0.00 177.00 177.52 1fa4 n ALA 78 N -3.44 2.56 1.01 8.56 0.00 -1.26 0.09 120.51 128.03 1fa4 n ALA 78 Ca 0.07 -0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1fa4 n ALA 78 Cb 0.59 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.34 1.50 -4.18 0.00 9.92 -1.26 -4.73 116.55 117.46 1fa4 n ASP 79 Ca 0.12 -1.22 -0.37 0.00 -0.53 0.00 0.00 54.79 52.80 1fa4 n ASP 79 Cb 0.15 0.68 -0.15 0.00 -0.64 0.00 0.00 41.12 41.16 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fa4 n ALA 80 N -0.73 0.34 -1.76 2.24 0.00 -1.17 -4.82 120.51 114.60 1fa4 n ALA 80 Ca 0.07 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 1fa4 n ALA 80 Cb 0.40 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 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 8.20 4.64 0.08 0.00 0.04 -1.26 -4.03 135.00 142.67 1fa4 s PRO 81 Ca 1.26 1.58 -0.36 0.00 0.04 0.00 0.00 61.00 63.52 1fa4 s PRO 81 Cb -1.14 -3.07 -0.18 0.00 0.04 0.00 0.00 34.50 30.15 1fa4 s PRO 81 CO 0.46 0.28 1.09 0.00 0.04 0.00 0.00 177.00 178.87 1fa4 n ALA 82 N 1.03 -2.40 0.00 8.56 0.00 -1.24 -4.74 120.51 121.72 1fa4 n ALA 82 Ca -0.00 0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1fa4 n ALA 82 Cb 0.47 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 1.89 3.71 3.61 0.00 0.00 -1.19 -4.87 105.19 108.35 1fa4 n GLY 83 Ca 0.18 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1fa4 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fa4 s GLU 84 N -2.07 3.94 0.00 1.61 2.12 -1.26 -3.79 118.70 119.25 1fa4 s GLU 84 Ca 0.00 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1fa4 s GLU 84 Cb 0.00 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1fa4 s GLU 84 CO 0.00 -0.57 0.00 0.66 -0.54 0.00 0.00 175.26 174.81 1fa4 n TYR 85 N 5.92 -2.54 -3.15 5.30 4.02 -0.83 -4.84 117.16 121.05 1fa4 n TYR 85 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1fa4 n TYR 85 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.27 -0.67 0.34 -0.72 2.01 -1.26 -4.12 115.64 110.95 1fa4 s THR 86 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1fa4 s THR 86 Cb 0.00 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 1fa4 s THR 86 CO 0.00 0.00 0.35 0.72 -0.69 0.00 0.00 174.62 175.00 1fa4 s PHE 87 N 2.90 2.93 0.00 4.92 -0.71 0.39 -2.31 117.98 126.10 1fa4 s PHE 87 Ca 0.13 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.72 1fa4 s PHE 87 Cb -0.10 -1.89 0.00 0.00 -1.21 0.00 0.00 43.02 39.82 1fa4 s PHE 87 CO -0.20 0.10 0.00 2.48 -1.34 0.00 0.00 175.22 176.26 1fa4 n TYR 88 N -1.46 -0.57 -4.29 3.49 4.11 -0.97 -2.05 117.16 115.41 1fa4 n TYR 88 Ca -0.01 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.65 1fa4 n TYR 88 Cb 0.60 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.77 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 7.39 0.69 0.07 0.00 4.57 -1.93 -1.51 114.58 123.85 1fa4 h GLU 90 Ca -0.32 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 57.58 1fa4 h GLU 90 Cb 1.16 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1fa4 h GLU 90 CO 0.45 0.88 -0.03 -1.00 -1.18 0.00 0.00 179.01 178.12 1fa4 h PRO 91 N 0.47 -0.09 -1.02 0.92 0.13 -1.96 -3.28 132.00 127.17 1fa4 h PRO 91 Ca 0.08 0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.96 1fa4 h PRO 91 Cb 0.65 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.65 1fa4 h PRO 91 CO 0.04 0.45 0.33 0.72 -0.23 0.00 0.00 178.00 179.31 1fa4 n HIS 92 N -4.78 1.51 -1.57 1.56 8.25 -1.25 -4.87 115.22 114.06 1fa4 n HIS 92 Ca -0.07 -1.19 -0.18 0.00 -0.26 0.00 0.00 57.72 56.02 1fa4 n HIS 92 Cb 0.28 -0.61 -0.06 0.00 1.12 0.00 0.00 29.99 30.73 1fa4 n HIS 92 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1fa4 s ARG 93 N -1.62 1.69 0.00 -0.41 3.52 -0.57 -0.55 118.95 121.01 1fa4 s ARG 93 Ca 0.28 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 1fa4 s ARG 93 Cb 0.24 -4.75 0.00 0.00 -1.56 0.00 0.00 34.95 28.88 1fa4 s ARG 93 CO 0.05 -4.23 0.00 0.41 -0.81 0.00 0.00 175.30 170.72 1fa4 n GLY 94 N 6.66 0.92 1.89 8.12 0.00 -1.26 -4.99 105.19 116.53 1fa4 n GLY 94 Ca 0.45 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 5.03 -1.66 4.61 0.00 0.28 -4.76 120.51 124.02 1fa4 n ALA 95 Ca 0.00 -1.88 -0.14 0.00 0.00 0.00 0.00 53.44 51.43 1fa4 n ALA 95 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.03 0.94 2.51 0.00 0.00 -1.26 -4.37 105.19 102.98 1fa4 n GLY 96 Ca 0.35 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.51 3.23 -3.72 1.61 2.00 -1.26 -3.98 117.12 112.48 1fa4 n MET 97 Ca -0.14 -2.84 -0.23 0.00 0.00 0.00 0.00 57.70 54.49 1fa4 n MET 97 Cb 0.50 -2.32 -0.18 0.00 0.00 0.00 0.00 33.22 31.23 1fa4 n MET 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fa4 s VAL 98 N -2.09 0.19 0.36 2.03 1.01 -1.26 -2.09 120.40 118.56 1fa4 s VAL 98 Ca 0.56 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1fa4 s VAL 98 Cb 0.32 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 1fa4 s VAL 98 CO -0.19 0.15 0.07 -0.83 0.00 0.00 0.00 175.10 174.30 1fa4 s GLY 99 N 2.04 2.30 -0.09 4.51 0.00 -0.87 -4.91 107.32 110.31 1fa4 s GLY 99 Ca 0.04 -1.76 -0.06 0.00 0.00 0.00 0.00 44.72 42.94 1fa4 s GLY 99 CO -0.05 -1.87 0.22 0.54 0.00 0.00 0.00 173.10 171.94 1fa4 s LYS 100 N -3.84 0.22 0.12 2.90 1.02 -1.26 -0.46 119.74 118.44 1fa4 s LYS 100 Ca 0.31 0.38 -0.21 0.00 0.02 0.00 0.00 55.97 56.47 1fa4 s LYS 100 Cb 0.07 0.01 -0.07 0.00 -0.52 0.00 0.00 37.83 37.32 1fa4 s LYS 100 CO 0.15 -0.09 0.65 0.42 -0.92 0.00 0.00 175.35 175.56 1fa4 s ILE 101 N 0.58 4.61 -0.47 2.17 1.01 -1.26 -2.94 121.20 124.90 1fa4 s ILE 101 Ca -0.04 1.36 -0.00 0.00 0.00 0.00 0.00 60.65 61.97 1fa4 s ILE 101 Cb -0.05 -3.96 0.13 0.00 0.01 0.00 0.00 42.46 38.58 1fa4 s ILE 101 CO -0.03 0.50 0.24 -0.89 0.00 0.00 0.00 174.94 174.76 1fa4 s THR 102 N -1.18 3.05 0.07 2.92 2.01 0.38 -1.96 115.64 120.93 1fa4 s THR 102 Ca 0.33 -2.61 -0.00 0.00 0.31 0.00 0.00 61.69 59.72 1fa4 s THR 102 Cb -0.20 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1fa4 s THR 102 CO 0.21 -0.74 0.22 -0.69 -0.69 0.00 0.00 174.62 172.94 1fa4 s VAL 103 N 0.49 5.37 -0.07 3.82 1.01 -1.25 -1.67 120.40 128.10 1fa4 s VAL 103 Ca 0.13 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1fa4 s VAL 103 Cb -0.22 -3.64 -0.25 0.00 0.00 0.00 0.00 36.38 32.28 1fa4 s VAL 103 CO -0.04 0.11 0.57 0.00 0.00 0.00 0.00 175.10 175.75 1fa4 h ALA 104 N 2.99 0.60 0.00 5.51 0.00 -1.87 -3.14 119.26 123.34 1fa4 h ALA 104 Ca -0.45 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.05 1fa4 h ALA 104 Cb 1.16 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1fa4 h ALA 104 CO 0.75 1.45 0.00 0.41 0.00 0.00 0.00 179.25 181.86