#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 2.25 -0.05 3.84 2.01 -1.26 -4.63 115.64 117.80 1fa4 s THR 2 Ca 0.00 -0.99 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 1fa4 s THR 2 Cb 0.00 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 1fa4 s THR 2 CO 0.00 0.57 0.38 -0.31 -0.69 0.00 0.00 174.62 174.56 1fa4 s TYR 3 N -0.07 3.65 -0.30 4.92 2.02 -0.94 -5.03 117.35 121.59 1fa4 s TYR 3 Ca -0.06 0.88 0.01 0.00 -0.37 0.00 0.00 57.07 57.53 1fa4 s TYR 3 Cb -0.14 -2.31 0.09 0.00 -0.40 0.00 0.00 41.96 39.20 1fa4 s TYR 3 CO 0.05 0.52 0.04 0.99 -1.57 0.00 0.00 175.55 175.58 1fa4 s THR 4 N -0.58 1.45 -0.48 -0.71 2.01 -1.26 -1.21 115.64 114.86 1fa4 s THR 4 Ca 0.22 -1.61 -0.03 0.00 0.31 0.00 0.00 61.69 60.58 1fa4 s THR 4 Cb -0.15 -1.99 0.13 0.00 0.01 0.00 0.00 72.50 70.50 1fa4 s THR 4 CO 0.11 -0.49 2.55 1.33 -0.69 0.00 0.00 174.62 177.43 1fa4 n VAL 5 N 4.63 3.28 -1.52 3.82 0.24 -0.67 -4.71 118.33 123.39 1fa4 n VAL 5 Ca -0.03 -2.91 -0.24 0.00 -2.04 0.00 0.00 64.34 59.13 1fa4 n VAL 5 Cb 0.43 -1.50 -0.15 0.00 -1.47 0.00 0.00 33.84 31.14 1fa4 n VAL 5 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1fa4 n LYS 6 N 0.58 0.26 -0.60 7.34 4.81 -1.25 -4.08 118.16 125.21 1fa4 n LYS 6 Ca 0.47 -0.24 -0.31 0.00 -0.87 0.00 0.00 58.31 57.36 1fa4 n LYS 6 Cb 0.53 -2.08 0.20 0.00 0.02 0.00 0.00 35.03 33.70 1fa4 n LYS 6 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1fa4 n LEU 7 N 11.05 -2.19 -0.87 3.14 -0.00 -1.24 -4.15 117.00 122.73 1fa4 n LEU 7 Ca 0.59 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 1fa4 n LEU 7 Cb 0.24 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1fa4 n LEU 7 CO 0.88 -3.18 -0.14 0.61 -0.00 0.00 0.00 177.39 175.56 1fa4 n GLY 8 N 1.84 -4.10 0.00 1.47 0.00 0.57 -4.02 105.19 100.95 1fa4 n GLY 8 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.39 0.00 0.00 1.61 3.41 -1.12 -4.78 113.62 113.13 1fa4 n SER 9 Ca 0.00 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.39 1fa4 n SER 9 Cb 0.00 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.98 0.00 -2.82 4.04 2.03 -1.26 -4.98 116.55 111.58 1fa4 n ASP 10 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1fa4 n ASP 10 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1fa4 n ASP 10 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fa4 n LYS 11 N 0.00 1.66 0.00 -0.67 4.81 -1.26 -4.95 118.16 117.75 1fa4 n LYS 11 Ca 0.00 -3.47 0.00 0.00 -0.87 0.00 0.00 58.31 53.97 1fa4 n LYS 11 Cb 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa4 n GLY 12 N -0.54 1.54 3.69 3.14 0.00 -1.26 -5.16 105.19 106.61 1fa4 n GLY 12 Ca 0.07 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 2.97 -0.28 0.99 1.43 -1.26 -5.03 118.68 117.50 1fa4 s LEU 13 Ca 0.00 -1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 51.76 1fa4 s LEU 13 Cb 0.00 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 45.00 1fa4 s LEU 13 CO 0.00 -0.53 0.19 -0.76 0.23 0.00 0.00 176.35 175.48 1fa4 s LEU 14 N -3.83 4.01 -0.14 1.79 1.43 -1.26 -2.79 118.68 117.89 1fa4 s LEU 14 Ca 0.37 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.17 1fa4 s LEU 14 Cb 0.06 -2.12 0.07 0.00 0.03 0.00 0.00 46.19 44.24 1fa4 s LEU 14 CO 0.20 -0.05 0.69 0.68 0.23 0.00 0.00 176.35 178.10 1fa4 s VAL 15 N 1.75 0.00 0.76 -1.59 -7.23 -1.26 -4.55 120.40 108.28 1fa4 s VAL 15 Ca 0.07 -0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.09 1fa4 s VAL 15 Cb -0.16 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.81 1fa4 s VAL 15 CO 0.11 -0.00 0.96 0.49 -0.31 0.00 0.00 175.10 176.34 1fa4 n PHE 16 N 1.63 0.56 -3.49 2.82 3.01 -1.26 -0.31 117.46 120.41 1fa4 n PHE 16 Ca -0.17 0.38 -0.18 0.00 1.01 0.00 0.00 57.45 58.49 1fa4 n PHE 16 Cb 0.56 -2.05 -0.13 0.00 -0.01 0.00 0.00 39.48 37.85 1fa4 n PHE 16 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1fa4 s GLU 17 N -3.54 0.20 0.93 -1.08 2.02 -1.26 -3.64 118.70 112.34 1fa4 s GLU 17 Ca 0.71 0.19 -0.15 0.00 0.02 0.00 0.00 54.97 55.75 1fa4 s GLU 17 Cb -0.32 -1.18 0.16 0.00 0.10 0.00 0.00 34.13 32.89 1fa4 s GLU 17 CO 0.52 -0.67 1.25 -1.25 0.02 0.00 0.00 175.26 175.13 1fa4 s PRO 18 N 2.33 0.96 -0.01 0.39 0.04 -1.26 -3.89 135.00 133.55 1fa4 s PRO 18 Ca 0.07 -0.16 -0.15 0.00 0.04 0.00 0.00 61.00 60.80 1fa4 s PRO 18 Cb -0.16 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1fa4 s PRO 18 CO -0.13 -2.24 0.74 0.00 0.04 0.00 0.00 177.00 175.41 1fa4 h ALA 19 N -1.52 -0.66 -2.39 8.56 0.00 -1.95 -3.45 119.26 117.86 1fa4 h ALA 19 Ca -0.45 -0.12 -0.51 0.00 0.00 0.00 0.00 54.91 53.83 1fa4 h ALA 19 Cb 1.28 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1fa4 h ALA 19 CO 0.48 -0.62 -0.03 0.15 0.00 0.00 0.00 179.25 179.24 1fa4 s LYS 20 N -3.40 3.72 -0.10 0.00 1.02 -1.26 -3.19 119.74 116.53 1fa4 s LYS 20 Ca -0.08 0.24 -0.08 0.00 0.02 0.00 0.00 55.97 56.08 1fa4 s LYS 20 Cb 0.01 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1fa4 s LYS 20 CO 0.23 0.12 0.26 -0.51 -0.92 0.00 0.00 175.35 174.54 1fa4 s LEU 21 N -3.57 0.74 -0.49 3.17 1.43 -0.65 -4.89 118.68 114.42 1fa4 s LEU 21 Ca 0.48 0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.04 1fa4 s LEU 21 Cb -0.11 0.85 0.13 0.00 0.03 0.00 0.00 46.19 47.09 1fa4 s LEU 21 CO 0.29 -0.12 0.34 -0.89 0.23 0.00 0.00 176.35 176.20 1fa4 s THR 22 N 0.61 3.96 0.55 5.49 2.01 -1.26 0.19 115.64 127.18 1fa4 s THR 22 Ca -0.04 -2.07 0.09 0.00 0.31 0.00 0.00 61.69 59.98 1fa4 s THR 22 Cb -0.05 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 68.91 1fa4 s THR 22 CO -0.04 -0.78 0.68 0.27 -0.69 0.00 0.00 174.62 174.06 1fa4 s ILE 23 N 1.03 2.11 0.50 1.82 -5.25 -0.95 -4.85 121.20 115.62 1fa4 s ILE 23 Ca 0.09 -1.12 0.09 0.00 -0.99 0.00 0.00 60.65 58.72 1fa4 s ILE 23 Cb -0.24 -2.23 0.05 0.00 2.95 0.00 0.00 42.46 42.99 1fa4 s ILE 23 CO -0.03 0.00 0.65 -0.54 -1.79 0.00 0.00 174.94 173.24 1fa4 s LYS 24 N -4.54 2.51 -1.27 0.37 3.01 -1.26 -3.76 119.74 114.80 1fa4 s LYS 24 Ca 0.55 -1.51 -0.19 0.00 -1.01 0.00 0.00 55.97 53.81 1fa4 s LYS 24 Cb -0.05 -2.63 0.02 0.00 -1.01 0.00 0.00 37.83 34.16 1fa4 s LYS 24 CO 0.34 -0.57 1.82 -0.35 0.51 0.00 0.00 175.35 177.10 1fa4 n PRO 25 N -2.01 2.73 0.00 -1.68 -0.04 -1.26 -2.93 135.00 129.81 1fa4 n PRO 25 Ca 0.11 -3.00 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 1fa4 n PRO 25 Cb 0.61 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 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 5.40 0.89 2.86 0.55 0.00 -0.01 -3.87 105.19 111.00 1fa4 n GLY 26 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.52 -3.94 1.61 8.00 -1.15 -4.35 116.55 113.20 1fa4 n ASP 27 Ca 0.00 -0.62 -0.30 0.00 0.71 0.00 0.00 54.79 54.59 1fa4 n ASP 27 Cb 0.00 -0.81 -0.16 0.00 -0.02 0.00 0.00 41.12 40.13 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 -1.98 1.39 -0.17 -3.53 2.01 -1.26 -2.57 115.64 109.53 1fa4 s THR 28 Ca 0.47 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1fa4 s THR 28 Cb -0.08 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1fa4 s THR 28 CO 0.40 0.08 0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 1fa4 s VAL 29 N 1.49 4.62 0.16 3.82 1.01 -1.24 -2.21 120.40 128.06 1fa4 s VAL 29 Ca -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1fa4 s VAL 29 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1fa4 s VAL 29 CO -0.08 0.48 0.24 -1.61 0.00 0.00 0.00 175.10 174.14 1fa4 s GLU 30 N 0.23 3.27 -0.41 2.72 8.01 -0.35 -3.45 118.70 128.71 1fa4 s GLU 30 Ca 0.03 -0.71 0.04 0.00 0.01 0.00 0.00 54.97 54.34 1fa4 s GLU 30 Cb -0.13 -2.85 0.17 0.00 -4.31 0.00 0.00 34.13 27.01 1fa4 s GLU 30 CO 0.01 0.50 0.44 -0.06 0.01 0.00 0.00 175.26 176.16 1fa4 s PHE 31 N -1.78 -0.19 0.64 1.61 0.40 -1.26 -1.67 117.98 115.73 1fa4 s PHE 31 Ca 0.33 -1.19 0.07 0.00 -0.60 0.00 0.00 56.93 55.54 1fa4 s PHE 31 Cb -0.10 -0.39 0.11 0.00 0.51 0.00 0.00 43.02 43.14 1fa4 s PHE 31 CO 0.27 -1.00 0.88 -0.51 0.70 0.00 0.00 175.22 175.57 1fa4 s LEU 32 N 0.92 3.01 0.37 -0.37 1.02 -1.26 -4.36 118.68 118.01 1fa4 s LEU 32 Ca 0.24 -0.76 -0.05 0.00 0.02 0.00 0.00 54.13 53.57 1fa4 s LEU 32 Cb -0.07 -1.59 -0.05 0.00 0.02 0.00 0.00 46.19 44.50 1fa4 s LEU 32 CO -0.08 -1.59 0.66 0.54 0.02 0.00 0.00 176.35 175.90 1fa4 s ASN 33 N -4.73 6.39 0.00 2.29 4.22 -1.26 -3.69 114.94 118.15 1fa4 s ASN 33 Ca 0.64 0.81 0.00 0.00 -2.14 0.00 0.00 52.86 52.17 1fa4 s ASN 33 Cb -0.05 -2.19 0.00 0.00 1.28 0.00 0.00 41.25 40.29 1fa4 s ASN 33 CO 0.41 -0.35 0.00 -3.20 -2.04 0.00 0.00 177.10 171.92 1fa4 n ASN 34 N -1.50 0.00 -1.21 3.54 5.15 -1.26 -3.20 115.26 116.78 1fa4 n ASN 34 Ca -0.01 0.04 -0.05 0.00 -0.60 0.00 0.00 54.58 53.96 1fa4 n ASN 34 Cb 0.55 -0.32 -0.03 0.00 -0.53 0.00 0.00 39.78 39.45 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 -2.05 0.22 -2.80 1.20 4.81 -1.26 -4.61 118.16 113.66 1fa4 n LYS 35 Ca 0.00 -0.86 -0.10 0.00 -0.87 0.00 0.00 58.31 56.48 1fa4 n LYS 35 Cb 0.00 0.47 0.06 0.00 0.02 0.00 0.00 35.03 35.58 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1fa4 n VAL 36 N -0.25 -0.05 -1.71 3.15 0.31 -1.26 -5.14 118.33 113.38 1fa4 n VAL 36 Ca -0.22 -1.86 -0.30 0.00 -0.01 0.00 0.00 64.34 61.96 1fa4 n VAL 36 Cb 0.66 1.19 0.19 0.00 -0.91 0.00 0.00 33.84 34.97 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 0.14 0.26 0.46 5.55 0.04 -1.26 -4.78 135.00 135.41 1fa4 s PRO 37 Ca 0.27 -0.28 -0.06 0.00 0.04 0.00 0.00 61.00 60.97 1fa4 s PRO 37 Cb 0.27 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.98 1fa4 s PRO 37 CO -0.12 -2.69 0.77 -1.25 0.04 0.00 0.00 177.00 173.75 1fa4 s PRO 38 N -5.74 3.59 0.00 0.56 0.04 -1.26 -5.10 135.00 127.09 1fa4 s PRO 38 Ca 0.72 0.24 0.08 0.00 0.04 0.00 0.00 61.00 62.09 1fa4 s PRO 38 Cb -0.06 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1fa4 s PRO 38 CO 0.54 -0.16 -0.25 -1.01 0.04 0.00 0.00 177.00 176.16 1fa4 s HIS 39 N -2.65 2.36 -0.20 0.56 3.76 -1.22 -4.74 115.29 113.16 1fa4 s HIS 39 Ca 0.48 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.98 1fa4 s HIS 39 Cb -0.10 -1.47 0.02 0.00 1.11 0.00 0.00 32.58 32.13 1fa4 s HIS 39 CO 0.42 0.03 -0.15 1.21 -0.85 0.00 0.00 174.74 175.40 1fa4 s ASN 40 N -0.84 3.50 -0.21 1.40 3.04 -1.26 -3.12 114.94 117.45 1fa4 s ASN 40 Ca 0.11 -0.63 -0.10 0.00 0.04 0.00 0.00 52.86 52.27 1fa4 s ASN 40 Cb -0.10 -1.55 -0.05 0.00 -1.54 0.00 0.00 41.25 38.01 1fa4 s ASN 40 CO 0.00 -0.02 0.13 -0.69 -3.04 0.00 0.00 177.10 173.48 1fa4 s VAL 41 N 1.33 5.32 0.21 -5.21 1.01 -1.26 -3.59 120.40 118.21 1fa4 s VAL 41 Ca 0.04 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.99 1fa4 s VAL 41 Cb -0.14 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1fa4 s VAL 41 CO -0.10 0.41 0.58 0.68 0.00 0.00 0.00 175.10 176.68 1fa4 s VAL 42 N 0.57 0.01 -0.05 2.92 -7.23 -1.25 -3.30 120.40 112.07 1fa4 s VAL 42 Ca 0.07 -0.73 0.05 0.00 -1.81 0.00 0.00 61.98 59.56 1fa4 s VAL 42 Cb -0.12 -1.62 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 1fa4 s VAL 42 CO 0.00 -0.06 -0.20 -0.36 -0.31 0.00 0.00 175.10 174.17 1fa4 s PHE 43 N -3.87 1.96 0.20 2.82 0.40 -1.26 -2.34 117.98 115.90 1fa4 s PHE 43 Ca 0.09 -0.60 -0.30 0.00 -0.60 0.00 0.00 56.93 55.52 1fa4 s PHE 43 Cb -0.02 -1.31 -0.09 0.00 0.51 0.00 0.00 43.02 42.10 1fa4 s PHE 43 CO -0.01 -0.21 1.41 0.34 0.70 0.00 0.00 175.22 177.45 1fa4 s ASP 44 N 0.04 6.74 -0.00 1.36 -1.08 -0.96 -4.87 116.67 117.89 1fa4 s ASP 44 Ca -0.05 2.53 0.03 0.00 -0.52 0.00 0.00 52.55 54.53 1fa4 s ASP 44 Cb -0.13 -2.61 0.08 0.00 -1.46 0.00 0.00 42.92 38.80 1fa4 s ASP 44 CO 0.03 -0.66 1.04 0.00 0.52 0.00 0.00 175.17 176.10 1fa4 n ALA 45 N 2.90 2.50 -1.02 3.66 0.00 -1.26 -3.26 120.51 124.03 1fa4 n ALA 45 Ca 0.08 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1fa4 n ALA 45 Cb 0.41 -0.99 0.17 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.22 2.43 -2.60 0.00 0.00 -1.26 -4.55 120.51 114.31 1fa4 n ALA 46 Ca 0.03 -2.50 -0.15 0.00 0.00 0.00 0.00 53.44 50.82 1fa4 n ALA 46 Cb 0.09 -0.45 0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.18 2.54 -4.52 0.00 4.32 -1.20 -5.07 117.00 111.89 1fa4 n LEU 47 Ca 0.17 -4.21 -0.24 0.00 -0.02 0.00 0.00 56.01 51.71 1fa4 n LEU 47 Cb 0.69 0.13 -0.09 0.00 -1.62 0.00 0.00 43.42 42.53 1fa4 n LEU 47 CO 0.04 1.78 -0.43 0.54 -1.22 0.00 0.00 177.39 178.11 1fa4 s ASN 48 N -3.27 3.84 0.00 -1.43 2.20 -1.26 -4.47 114.94 110.55 1fa4 s ASN 48 Ca 0.34 -0.95 0.27 0.00 -0.94 0.00 0.00 52.86 51.58 1fa4 s ASN 48 Cb 0.44 -0.44 1.38 0.00 -2.00 0.00 0.00 41.25 40.64 1fa4 s ASN 48 CO -0.04 0.01 1.93 -0.81 -2.94 0.00 0.00 177.10 175.25 1fa4 n PRO 49 N -0.71 0.42 -0.67 3.55 -0.04 -1.26 -3.21 135.00 133.08 1fa4 n PRO 49 Ca -0.05 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1fa4 n PRO 49 Cb 0.60 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.70 1fa4 n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 n ALA 50 N -1.27 3.02 -3.38 0.55 0.00 -1.26 -4.97 120.51 113.20 1fa4 n ALA 50 Ca 0.13 -2.82 -0.26 0.00 0.00 0.00 0.00 53.44 50.50 1fa4 n ALA 50 Cb 0.21 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.78 -1.03 -4.26 0.00 2.85 -1.20 -4.86 118.16 108.89 1fa4 n LYS 51 Ca 0.14 0.08 -0.26 0.00 -1.05 0.00 0.00 58.31 57.23 1fa4 n LYS 51 Cb 0.77 -3.28 -0.08 0.00 -0.65 0.00 0.00 35.03 31.79 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 -2.40 4.28 -0.33 -5.58 0.01 -1.26 -5.05 113.70 103.37 1fa4 s SER 52 Ca 0.50 -1.16 0.17 0.00 1.31 0.00 0.00 55.95 56.77 1fa4 s SER 52 Cb -0.29 -0.44 0.44 0.00 0.21 0.00 0.00 66.02 65.94 1fa4 s SER 52 CO 0.62 -0.53 0.91 0.00 0.41 0.00 0.00 173.24 174.65 1fa4 n ALA 53 N -1.18 3.18 -0.03 1.44 0.00 -1.26 -4.75 120.51 117.91 1fa4 n ALA 53 Ca -0.02 -3.20 -0.05 0.00 0.00 0.00 0.00 53.44 50.17 1fa4 n ALA 53 Cb 0.65 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1fa4 n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fa4 n ASP 54 N -0.00 2.90 0.14 0.00 8.00 -1.26 -4.33 116.55 122.00 1fa4 n ASP 54 Ca 0.12 -0.01 0.16 0.00 0.71 0.00 0.00 54.79 55.78 1fa4 n ASP 54 Cb 0.79 -0.11 0.74 0.00 -0.02 0.00 0.00 41.12 42.51 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1fa4 h LEU 55 N -0.05 0.00 0.13 0.64 8.10 -1.99 -0.40 115.31 121.74 1fa4 h LEU 55 Ca -0.14 0.00 -0.27 0.00 0.11 0.00 0.00 57.88 57.58 1fa4 h LEU 55 Cb 1.19 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.42 1fa4 h LEU 55 CO -0.04 0.00 -1.24 0.00 -4.11 0.00 0.00 178.44 173.05 1fa4 h ALA 56 N 1.81 0.09 -0.26 0.17 0.00 -1.93 -2.79 119.26 116.35 1fa4 h ALA 56 Ca 0.13 -0.88 0.08 0.00 0.00 0.00 0.00 54.91 54.23 1fa4 h ALA 56 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1fa4 h ALA 56 CO -0.00 0.96 0.50 -0.22 0.00 0.00 0.00 179.25 180.50 1fa4 h LYS 57 N 0.08 0.00 0.00 0.00 3.11 -1.26 0.37 116.57 118.87 1fa4 h LYS 57 Ca -0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1fa4 h LYS 57 Cb 1.97 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.20 1fa4 h LYS 57 CO 0.21 0.00 -0.07 0.43 -2.81 0.00 0.00 179.45 177.21 1fa4 n SER 58 N -3.24 1.93 -0.00 4.20 7.64 -1.20 -4.74 113.62 118.21 1fa4 n SER 58 Ca 0.04 -2.75 -0.00 0.00 1.01 0.00 0.00 58.87 57.17 1fa4 n SER 58 Cb 0.62 -0.33 -0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1fa4 n LEU 59 N -1.09 2.42 -4.70 -3.43 7.94 0.12 -5.00 117.00 113.26 1fa4 n LEU 59 Ca 0.11 -0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.59 1fa4 n LEU 59 Cb 0.59 -0.01 -0.03 0.00 0.53 0.00 0.00 43.42 44.50 1fa4 n LEU 59 CO 0.01 0.41 0.81 -0.94 -1.11 0.00 0.00 177.39 176.57 1fa4 s SER 60 N -4.24 7.21 -0.10 1.96 1.04 -0.58 -4.93 113.70 114.07 1fa4 s SER 60 Ca -0.01 1.71 -0.02 0.00 0.48 0.00 0.00 55.95 58.12 1fa4 s SER 60 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1fa4 s SER 60 CO 0.01 -0.43 -0.03 -1.38 0.98 0.00 0.00 173.24 172.39 1fa4 s HIS 61 N 1.62 3.05 0.00 5.02 -3.43 -1.21 -4.95 115.29 115.39 1fa4 s HIS 61 Ca 0.53 0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.79 1fa4 s HIS 61 Cb -0.22 -1.81 0.00 0.00 -1.43 0.00 0.00 32.58 29.12 1fa4 s HIS 61 CO 0.24 0.28 0.00 1.63 -2.00 0.00 0.00 174.74 174.89 1fa4 n LYS 62 N 2.56 1.63 -0.24 -0.38 5.02 -1.26 -4.50 118.16 120.98 1fa4 n LYS 62 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1fa4 n LYS 62 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 0.00 -0.69 -3.04 1.97 7.27 -1.26 -4.92 117.38 116.72 1fa4 n GLN 63 Ca 0.00 0.51 -0.40 0.00 0.07 0.00 0.00 57.00 57.18 1fa4 n GLN 63 Cb 0.00 -0.57 -0.05 0.00 2.41 0.00 0.00 30.24 32.03 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1fa4 s LEU 64 N -1.82 4.41 -0.13 1.69 1.02 -1.26 -4.88 118.68 117.70 1fa4 s LEU 64 Ca 0.00 1.33 -0.29 0.00 0.02 0.00 0.00 54.13 55.19 1fa4 s LEU 64 Cb 0.00 -3.14 -0.01 0.00 0.02 0.00 0.00 46.19 43.06 1fa4 s LEU 64 CO 0.00 -0.00 1.01 -0.76 0.02 0.00 0.00 176.35 176.62 1fa4 s LEU 65 N 0.13 4.21 0.00 1.79 1.43 -1.18 -4.87 118.68 120.19 1fa4 s LEU 65 Ca 0.37 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1fa4 s LEU 65 Cb -0.19 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1fa4 s LEU 65 CO 0.21 -0.49 0.60 0.23 0.23 0.00 0.00 176.35 177.13 1fa4 n MET 66 N 5.30 0.62 -3.43 1.70 2.81 -1.26 -3.40 117.12 119.45 1fa4 n MET 66 Ca 0.09 -0.78 -0.37 0.00 -1.81 0.00 0.00 57.70 54.84 1fa4 n MET 66 Cb 0.48 -0.88 -0.06 0.00 -0.71 0.00 0.00 33.22 32.06 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 -0.34 6.83 -1.11 7.83 0.15 -1.26 -5.00 113.70 120.80 1fa4 s SER 67 Ca 0.00 1.02 -0.22 0.00 0.70 0.00 0.00 55.95 57.45 1fa4 s SER 67 Cb 0.00 -2.27 0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1fa4 s SER 67 CO 0.00 0.23 1.61 -2.16 1.20 0.00 0.00 173.24 174.12 1fa4 s PRO 68 N -1.48 3.57 0.00 5.44 0.04 -1.26 -3.66 135.00 137.65 1fa4 s PRO 68 Ca 0.30 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 60.01 1fa4 s PRO 68 Cb -0.16 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 28.99 1fa4 s PRO 68 CO 0.17 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.20 1fa4 n GLY 69 N 6.36 0.77 3.15 0.56 0.00 -1.19 -4.99 105.19 109.84 1fa4 n GLY 69 Ca 0.39 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.75 0.50 0.00 1.61 2.00 -1.24 -4.87 119.66 116.90 1fa4 s GLN 70 Ca 0.00 0.55 0.00 0.00 -2.00 0.00 0.00 55.36 53.91 1fa4 s GLN 70 Cb 0.00 0.26 0.00 0.00 0.80 0.00 0.00 33.01 34.07 1fa4 s GLN 70 CO 0.00 -0.87 0.00 -1.13 -0.50 0.00 0.00 175.29 172.79 1fa4 n SER 71 N 5.38 0.00 -3.53 6.67 3.41 -1.26 -4.44 113.62 119.85 1fa4 n SER 71 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1fa4 n SER 71 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 1.38 -0.95 -0.30 6.66 -1.32 -1.26 -5.05 115.64 114.80 1fa4 s THR 72 Ca 0.00 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 1fa4 s THR 72 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1fa4 s THR 72 CO 0.00 0.00 1.15 -0.55 -2.21 0.00 0.00 174.62 173.01 1fa4 s SER 73 N 2.86 6.88 -0.50 8.08 0.15 -1.26 -4.45 113.70 125.45 1fa4 s SER 73 Ca -0.01 1.16 -0.18 0.00 0.70 0.00 0.00 55.95 57.63 1fa4 s SER 73 Cb -0.12 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.71 1fa4 s SER 73 CO -0.19 -0.91 0.58 -0.89 1.20 0.00 0.00 173.24 173.03 1fa4 s THR 74 N 3.79 4.95 -0.94 6.45 2.01 -1.22 -4.99 115.64 125.69 1fa4 s THR 74 Ca 0.49 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.60 1fa4 s THR 74 Cb -0.14 -4.27 0.04 0.00 0.01 0.00 0.00 72.50 68.13 1fa4 s THR 74 CO 0.17 -0.78 1.47 -0.89 -0.69 0.00 0.00 174.62 173.90 1fa4 s THR 75 N 2.42 3.83 0.99 -0.82 2.01 -1.26 -3.65 115.64 119.16 1fa4 s THR 75 Ca 0.12 -0.47 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 1fa4 s THR 75 Cb -0.21 -4.92 -0.11 0.00 0.01 0.00 0.00 72.50 67.28 1fa4 s THR 75 CO 0.10 -1.82 -0.63 0.49 -0.69 0.00 0.00 174.62 172.08 1fa4 n PHE 76 N 9.50 -3.98 -1.69 4.92 3.01 -1.06 -4.90 117.46 123.26 1fa4 n PHE 76 Ca 0.27 0.09 -0.31 0.00 1.01 0.00 0.00 57.45 58.51 1fa4 n PHE 76 Cb 0.50 -1.50 0.04 0.00 -0.01 0.00 0.00 39.48 38.51 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 -2.37 3.08 0.00 -1.08 0.04 -1.26 -4.41 135.00 129.00 1fa4 s PRO 77 Ca 0.43 0.97 0.13 0.00 0.04 0.00 0.00 61.00 62.58 1fa4 s PRO 77 Cb -0.15 -2.01 0.65 0.00 0.04 0.00 0.00 34.50 33.03 1fa4 s PRO 77 CO 0.78 -0.99 1.33 0.00 0.04 0.00 0.00 177.00 178.16 1fa4 n ALA 78 N -2.89 1.76 -0.04 8.56 0.00 -1.26 -0.83 120.51 125.81 1fa4 n ALA 78 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.42 1fa4 n ALA 78 Cb 0.53 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.28 0.85 -1.77 0.00 8.00 -1.25 -4.54 116.55 116.56 1fa4 n ASP 79 Ca 0.06 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1fa4 n ASP 79 Cb 0.10 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 -3.33 -2.03 -2.47 2.24 0.00 -1.24 -4.63 120.51 109.05 1fa4 n ALA 80 Ca -0.06 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1fa4 n ALA 80 Cb 0.22 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.65 3.11 -0.47 0.00 0.04 -1.26 -4.94 135.00 128.83 1fa4 s PRO 81 Ca 0.00 -0.13 -0.45 0.00 0.04 0.00 0.00 61.00 60.46 1fa4 s PRO 81 Cb 0.00 -4.24 -0.19 0.00 0.04 0.00 0.00 34.50 30.11 1fa4 s PRO 81 CO 0.00 -2.24 1.74 0.00 0.04 0.00 0.00 177.00 176.54 1fa4 n ALA 82 N 9.90 -0.83 0.00 8.56 0.00 -1.26 -4.63 120.51 132.24 1fa4 n ALA 82 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1fa4 n ALA 82 Cb 0.49 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 4.77 -0.22 3.14 0.00 0.00 -0.30 -4.70 105.19 107.87 1fa4 n GLY 83 Ca 0.35 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 2.72 0.00 1.61 2.02 -1.26 -1.63 118.70 120.16 1fa4 s GLU 84 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1fa4 s GLU 84 Cb 0.00 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1fa4 s GLU 84 CO 0.00 0.00 0.00 0.66 0.02 0.00 0.00 175.26 175.94 1fa4 n TYR 85 N 4.02 -1.58 -3.20 1.61 4.01 0.81 -4.63 117.16 118.20 1fa4 n TYR 85 Ca -0.20 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.58 1fa4 n TYR 85 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.53 1fa4 n TYR 85 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1fa4 s THR 86 N 0.82 -0.64 0.22 -0.72 2.01 -1.26 -3.83 115.64 112.24 1fa4 s THR 86 Ca 0.00 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.09 1fa4 s THR 86 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1fa4 s THR 86 CO 0.00 0.00 -0.00 0.72 -0.69 0.00 0.00 174.62 174.65 1fa4 s PHE 87 N 2.85 2.76 0.00 4.92 -0.71 -1.07 -2.27 117.98 124.47 1fa4 s PHE 87 Ca 0.07 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.77 1fa4 s PHE 87 Cb -0.12 -1.28 0.00 0.00 -1.21 0.00 0.00 43.02 40.41 1fa4 s PHE 87 CO -0.16 0.56 0.00 2.48 -1.34 0.00 0.00 175.22 176.76 1fa4 n TYR 88 N -0.52 -0.08 -4.65 3.49 4.11 -0.99 -2.79 117.16 115.73 1fa4 n TYR 88 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.55 1fa4 n TYR 88 Cb 0.57 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.74 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 7.02 0.69 0.02 0.00 4.81 -1.95 0.60 114.58 125.77 1fa4 h GLU 90 Ca -0.29 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1fa4 h GLU 90 Cb 1.19 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1fa4 h GLU 90 CO 0.47 0.76 -0.01 -1.00 -0.73 0.00 0.00 179.01 178.50 1fa4 h PRO 91 N 0.53 -0.03 -1.21 0.92 0.13 -1.89 -3.29 132.00 127.16 1fa4 h PRO 91 Ca 0.12 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.95 1fa4 h PRO 91 Cb 0.43 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.41 1fa4 h PRO 91 CO 0.01 0.66 0.38 0.72 -0.23 0.00 0.00 178.00 179.55 1fa4 n HIS 92 N -4.70 1.61 -1.92 1.56 8.25 -1.24 -4.93 115.22 113.83 1fa4 n HIS 92 Ca -0.08 -1.55 -0.42 0.00 -0.26 0.00 0.00 57.72 55.41 1fa4 n HIS 92 Cb 0.34 -0.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 1fa4 n HIS 92 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1fa4 s ARG 93 N -1.80 4.20 0.00 -0.41 1.70 0.20 -1.51 118.95 121.33 1fa4 s ARG 93 Ca 0.31 2.35 0.00 0.00 -0.47 0.00 0.00 55.73 57.91 1fa4 s ARG 93 Cb 0.25 -3.47 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 1fa4 s ARG 93 CO 0.03 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 173.96 1fa4 n GLY 94 N 3.93 0.72 2.16 3.88 0.00 -1.26 -4.92 105.19 109.69 1fa4 n GLY 94 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.85 5.57 -0.90 4.61 0.00 -0.57 -4.83 120.51 123.55 1fa4 n ALA 95 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 1fa4 n ALA 95 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 -0.92 0.21 2.61 0.00 0.00 -1.26 -4.68 105.19 101.15 1fa4 n GLY 96 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.78 4.35 -3.30 1.61 2.00 -1.26 -4.35 117.12 115.39 1fa4 n MET 97 Ca 0.00 -3.57 -0.25 0.00 0.00 0.00 0.00 57.70 53.88 1fa4 n MET 97 Cb 0.24 -2.70 -0.09 0.00 0.00 0.00 0.00 33.22 30.67 1fa4 n MET 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1fa4 n VAL 98 N 2.09 -1.00 -0.47 2.03 0.31 -1.26 -3.16 118.33 116.86 1fa4 n VAL 98 Ca 0.54 -3.58 0.00 0.00 -0.01 0.00 0.00 64.34 61.29 1fa4 n VAL 98 Cb 0.28 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1fa4 n VAL 98 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fa4 n GLY 99 N 2.31 -2.06 3.61 2.92 0.00 -1.12 -4.76 105.19 106.08 1fa4 n GLY 99 Ca 0.26 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1fa4 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fa4 s LYS 100 N -2.32 0.70 0.05 1.61 1.02 -1.19 -2.59 119.74 117.02 1fa4 s LYS 100 Ca 0.00 1.16 -0.27 0.00 0.02 0.00 0.00 55.97 56.88 1fa4 s LYS 100 Cb 0.00 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 1fa4 s LYS 100 CO 0.00 -0.14 0.86 0.42 -0.92 0.00 0.00 175.35 175.57 1fa4 s ILE 101 N 1.45 4.71 -0.54 2.17 1.01 -1.25 -1.64 121.20 127.10 1fa4 s ILE 101 Ca -0.09 1.83 0.01 0.00 0.00 0.00 0.00 60.65 62.40 1fa4 s ILE 101 Cb -0.05 -4.21 0.14 0.00 0.01 0.00 0.00 42.46 38.35 1fa4 s ILE 101 CO -0.17 0.30 0.32 -0.89 0.00 0.00 0.00 174.94 174.50 1fa4 s THR 102 N 0.22 3.09 -0.14 2.92 2.01 0.50 -0.13 115.64 124.10 1fa4 s THR 102 Ca 0.43 -3.00 -0.09 0.00 0.31 0.00 0.00 61.69 59.34 1fa4 s THR 102 Cb -0.21 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1fa4 s THR 102 CO 0.26 -0.81 0.16 -0.69 -0.69 0.00 0.00 174.62 172.85 1fa4 s VAL 103 N 0.00 5.44 0.37 3.82 1.01 -0.65 -2.23 120.40 128.17 1fa4 s VAL 103 Ca 0.16 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 1fa4 s VAL 103 Cb -0.23 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1fa4 s VAL 103 CO -0.02 0.54 0.51 0.00 0.00 0.00 0.00 175.10 176.12 1fa4 n ALA 104 N 2.60 -0.45 -0.18 5.51 0.00 -1.26 -1.15 120.51 125.58 1fa4 n ALA 104 Ca -0.18 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1fa4 n ALA 104 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91