#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 1.69 0.71 3.84 2.01 -1.26 -4.70 115.64 117.92 1fa4 s THR 2 Ca 0.00 -0.78 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 1fa4 s THR 2 Cb 0.00 -1.51 0.05 0.00 0.01 0.00 0.00 72.50 71.06 1fa4 s THR 2 CO 0.00 0.48 1.03 -0.31 -0.69 0.00 0.00 174.62 175.13 1fa4 s TYR 3 N 0.73 2.98 -0.30 4.92 2.02 -1.11 -4.96 117.35 121.64 1fa4 s TYR 3 Ca -0.11 0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 57.02 1fa4 s TYR 3 Cb -0.16 -3.18 0.12 0.00 -0.40 0.00 0.00 41.96 38.34 1fa4 s TYR 3 CO 0.02 -1.38 0.66 0.99 -1.57 0.00 0.00 175.55 174.28 1fa4 s THR 4 N -3.27 -0.77 0.00 -0.71 2.01 -1.26 -1.57 115.64 110.07 1fa4 s THR 4 Ca 0.59 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1fa4 s THR 4 Cb -0.11 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1fa4 s THR 4 CO 0.46 0.00 0.00 0.52 -0.69 0.00 0.00 174.62 174.91 1fa4 n VAL 5 N 5.19 0.00 -3.57 3.82 0.31 -0.38 -4.87 118.33 118.84 1fa4 n VAL 5 Ca -0.14 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.20 1fa4 n VAL 5 Cb 0.51 -0.36 -0.06 0.00 -0.91 0.00 0.00 33.84 33.02 1fa4 n VAL 5 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1fa4 s LYS 6 N 2.87 0.16 -0.71 5.55 2.20 -1.26 -3.93 119.74 124.62 1fa4 s LYS 6 Ca 0.00 0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.77 1fa4 s LYS 6 Cb 0.00 0.07 0.18 0.00 -1.51 0.00 0.00 37.83 36.57 1fa4 s LYS 6 CO 0.00 -0.04 0.65 -0.48 -0.36 0.00 0.00 175.35 175.12 1fa4 s LEU 7 N 1.37 6.49 0.00 5.43 2.34 -0.84 -1.91 118.68 131.56 1fa4 s LEU 7 Ca -0.07 -2.36 0.00 0.00 0.06 0.00 0.00 54.13 51.77 1fa4 s LEU 7 Cb -0.03 -2.19 0.00 0.00 -0.56 0.00 0.00 46.19 43.41 1fa4 s LEU 7 CO -0.13 -0.67 0.00 0.61 -1.06 0.00 0.00 176.35 175.10 1fa4 n GLY 8 N 4.44 -1.08 3.40 -3.48 0.00 -1.01 -3.44 105.19 104.01 1fa4 n GLY 8 Ca 0.03 0.37 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.85 -1.74 1.61 3.41 -0.67 -4.78 113.62 109.61 1fa4 n SER 9 Ca 0.00 0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 59.18 1fa4 n SER 9 Cb 0.00 -1.08 0.05 0.00 -0.26 0.00 0.00 64.21 62.92 1fa4 n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1fa4 n ASP 10 N 1.05 5.39 0.00 4.04 5.75 -1.26 -3.77 116.55 127.75 1fa4 n ASP 10 Ca 0.10 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.00 1fa4 n ASP 10 Cb 0.48 -0.94 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1fa4 n LYS 11 N 0.29 3.31 0.00 0.11 5.02 -1.26 -5.02 118.16 120.60 1fa4 n LYS 11 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1fa4 n LYS 11 Cb 0.70 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.77 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fa4 n GLY 12 N 2.67 0.10 3.81 0.72 0.00 -1.25 -5.17 105.19 106.07 1fa4 n GLY 12 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.14 -0.41 0.99 1.43 -1.26 -5.06 118.68 114.24 1fa4 s LEU 13 Ca 0.00 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1fa4 s LEU 13 Cb 0.00 2.39 0.11 0.00 0.03 0.00 0.00 46.19 48.72 1fa4 s LEU 13 CO 0.00 -1.14 0.14 -0.76 0.23 0.00 0.00 176.35 174.82 1fa4 s LEU 14 N -3.03 4.74 0.03 1.79 1.43 -1.26 -1.66 118.68 120.72 1fa4 s LEU 14 Ca 0.14 -2.39 -0.02 0.00 -1.03 0.00 0.00 54.13 50.83 1fa4 s LEU 14 Cb -0.03 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 1fa4 s LEU 14 CO 0.05 -0.36 0.00 0.68 0.23 0.00 0.00 176.35 176.95 1fa4 s VAL 15 N 0.59 0.15 0.89 -1.59 -7.23 -1.26 -4.07 120.40 107.88 1fa4 s VAL 15 Ca 0.12 -1.27 -0.10 0.00 -1.81 0.00 0.00 61.98 58.92 1fa4 s VAL 15 Cb -0.21 -0.86 0.13 0.00 0.56 0.00 0.00 36.38 36.00 1fa4 s VAL 15 CO -0.05 -0.70 1.13 -0.36 -0.31 0.00 0.00 175.10 174.81 1fa4 s PHE 16 N -2.60 1.85 -0.27 2.82 0.40 -1.24 -2.42 117.98 116.53 1fa4 s PHE 16 Ca -0.05 1.70 -0.02 0.00 -0.60 0.00 0.00 56.93 57.96 1fa4 s PHE 16 Cb -0.02 -3.26 0.09 0.00 0.51 0.00 0.00 43.02 40.34 1fa4 s PHE 16 CO -0.05 -2.60 0.08 -1.21 0.70 0.00 0.00 175.22 172.14 1fa4 s GLU 17 N -4.71 0.61 0.00 0.44 0.41 -0.80 -3.36 118.70 111.29 1fa4 s GLU 17 Ca 0.65 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 1fa4 s GLU 17 Cb -0.21 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 1fa4 s GLU 17 CO 0.58 -0.87 0.00 -0.35 -0.49 0.00 0.00 175.26 174.13 1fa4 n PRO 18 N 4.98 0.55 0.01 0.39 -0.04 -1.26 -3.99 135.00 135.65 1fa4 n PRO 18 Ca -0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 1fa4 n PRO 18 Cb 0.44 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.94 1fa4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 h ALA 19 N -2.00 0.65 -1.69 0.55 0.00 -1.93 -3.46 119.26 111.39 1fa4 h ALA 19 Ca 0.00 -0.54 -0.59 0.00 0.00 0.00 0.00 54.91 53.78 1fa4 h ALA 19 Cb 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 1fa4 h ALA 19 CO 0.00 0.70 -0.55 -1.59 0.00 0.00 0.00 179.25 177.81 1fa4 s LYS 20 N -3.89 2.12 -0.04 0.00 -2.85 -1.26 -3.80 119.74 110.01 1fa4 s LYS 20 Ca -0.07 -1.90 -0.14 0.00 -1.00 0.00 0.00 55.97 52.86 1fa4 s LYS 20 Cb 0.11 -1.87 0.03 0.00 -2.06 0.00 0.00 37.83 34.03 1fa4 s LYS 20 CO 0.84 -0.04 0.32 -1.17 0.10 0.00 0.00 175.35 175.41 1fa4 s LEU 21 N -3.81 0.79 -0.38 2.77 2.96 -0.93 -4.95 118.68 115.13 1fa4 s LEU 21 Ca 0.38 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1fa4 s LEU 21 Cb 0.05 1.27 0.11 0.00 0.50 0.00 0.00 46.19 48.11 1fa4 s LEU 21 CO 0.21 -0.38 0.15 -0.89 -1.32 0.00 0.00 176.35 174.12 1fa4 s THR 22 N -0.99 2.98 0.57 3.68 2.01 -1.26 0.24 115.64 122.87 1fa4 s THR 22 Ca -0.11 -2.12 0.10 0.00 0.31 0.00 0.00 61.69 59.87 1fa4 s THR 22 Cb -0.05 -3.07 0.08 0.00 0.01 0.00 0.00 72.50 69.48 1fa4 s THR 22 CO 0.03 -0.64 0.77 0.27 -0.69 0.00 0.00 174.62 174.36 1fa4 s ILE 23 N 1.07 2.12 0.30 1.82 -4.36 0.18 -4.86 121.20 117.48 1fa4 s ILE 23 Ca 0.09 -1.02 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 1fa4 s ILE 23 Cb -0.22 -2.15 0.06 0.00 1.25 0.00 0.00 42.46 41.40 1fa4 s ILE 23 CO -0.05 0.00 0.42 0.29 0.24 0.00 0.00 174.94 175.83 1fa4 n LYS 24 N -2.22 0.51 -1.78 0.37 4.76 -1.26 -2.68 118.16 115.86 1fa4 n LYS 24 Ca 0.15 -1.31 -0.42 0.00 -2.87 0.00 0.00 58.31 53.86 1fa4 n LYS 24 Cb 0.62 -0.22 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 1fa4 n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1fa4 n PRO 25 N -1.73 2.88 0.00 1.97 -0.04 -1.25 -3.87 135.00 132.96 1fa4 n PRO 25 Ca 0.07 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1fa4 n PRO 25 Cb 0.27 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 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 4.12 0.81 0.00 0.55 0.00 -1.20 -4.41 105.19 105.07 1fa4 n GLY 26 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.82 -4.47 1.61 9.92 -1.25 -4.62 116.55 118.55 1fa4 n ASP 27 Ca 0.00 -0.50 -0.31 0.00 -0.53 0.00 0.00 54.79 53.46 1fa4 n ASP 27 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 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 0.89 2.87 -0.12 -3.53 2.01 -1.26 -1.21 115.64 115.30 1fa4 s THR 28 Ca 0.00 -1.19 0.00 0.00 0.31 0.00 0.00 61.69 60.81 1fa4 s THR 28 Cb 0.00 -2.23 0.02 0.00 0.01 0.00 0.00 72.50 70.30 1fa4 s THR 28 CO 0.00 0.31 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 1fa4 s VAL 29 N -0.96 1.27 -0.50 3.82 1.01 -1.19 -2.75 120.40 121.10 1fa4 s VAL 29 Ca 0.15 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1fa4 s VAL 29 Cb -0.11 -1.22 0.09 0.00 0.00 0.00 0.00 36.38 35.14 1fa4 s VAL 29 CO 0.06 0.41 0.45 -1.61 0.00 0.00 0.00 175.10 174.41 1fa4 s GLU 30 N 1.42 2.99 0.22 2.72 2.02 -0.61 -3.14 118.70 124.32 1fa4 s GLU 30 Ca 0.01 -1.45 -0.05 0.00 0.02 0.00 0.00 54.97 53.50 1fa4 s GLU 30 Cb -0.13 -4.19 -0.06 0.00 0.10 0.00 0.00 34.13 29.85 1fa4 s GLU 30 CO -0.07 -1.16 0.48 -0.06 0.02 0.00 0.00 175.26 174.47 1fa4 s PHE 31 N 1.71 3.46 0.19 1.61 0.08 -1.26 -1.24 117.98 122.54 1fa4 s PHE 31 Ca 0.04 0.63 -0.03 0.00 0.12 0.00 0.00 56.93 57.70 1fa4 s PHE 31 Cb -0.26 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.08 1fa4 s PHE 31 CO 0.06 0.30 0.16 -0.48 -0.10 0.00 0.00 175.22 175.16 1fa4 s LEU 32 N -3.08 1.14 0.29 -0.37 2.34 -1.25 -0.02 118.68 117.73 1fa4 s LEU 32 Ca 0.43 -1.29 0.03 0.00 0.06 0.00 0.00 54.13 53.36 1fa4 s LEU 32 Cb -0.11 0.55 -0.03 0.00 -0.56 0.00 0.00 46.19 46.04 1fa4 s LEU 32 CO 0.26 -0.86 0.45 0.54 -1.06 0.00 0.00 176.35 175.68 1fa4 s ASN 33 N -3.12 6.29 0.00 1.48 4.22 -1.26 -1.99 114.94 120.56 1fa4 s ASN 33 Ca 0.34 0.23 0.00 0.00 -2.14 0.00 0.00 52.86 51.29 1fa4 s ASN 33 Cb 0.06 -1.91 0.00 0.00 1.28 0.00 0.00 41.25 40.68 1fa4 s ASN 33 CO 0.10 -0.19 0.00 -3.20 -2.04 0.00 0.00 177.10 171.77 1fa4 n ASN 34 N -1.59 0.00 -1.94 3.54 5.15 -1.22 -2.66 115.26 116.54 1fa4 n ASN 34 Ca -0.07 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.90 1fa4 n ASN 34 Cb 0.57 -0.03 0.03 0.00 -0.53 0.00 0.00 39.78 39.82 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 -1.39 0.72 -2.77 1.20 3.00 -1.26 -4.76 118.16 112.89 1fa4 n LYS 35 Ca 0.00 -1.80 -0.09 0.00 -0.00 0.00 0.00 58.31 56.41 1fa4 n LYS 35 Cb 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 35.03 35.04 1fa4 n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1fa4 n VAL 36 N -0.42 0.05 -1.81 3.15 0.31 -1.26 -5.14 118.33 113.20 1fa4 n VAL 36 Ca -0.10 -1.96 -0.30 0.00 -0.01 0.00 0.00 64.34 61.97 1fa4 n VAL 36 Cb 0.87 1.09 0.18 0.00 -0.91 0.00 0.00 33.84 35.07 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 -0.28 0.65 0.55 5.55 0.04 -1.26 -4.75 135.00 135.49 1fa4 s PRO 37 Ca 0.24 -0.26 -0.06 0.00 0.04 0.00 0.00 61.00 60.97 1fa4 s PRO 37 Cb 0.34 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 33.03 1fa4 s PRO 37 CO -0.06 -2.43 0.86 -1.25 0.04 0.00 0.00 177.00 174.16 1fa4 s PRO 38 N -5.76 3.26 -0.01 0.56 0.04 -1.26 -5.13 135.00 126.69 1fa4 s PRO 38 Ca 0.71 0.16 0.07 0.00 0.04 0.00 0.00 61.00 61.98 1fa4 s PRO 38 Cb -0.06 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1fa4 s PRO 38 CO 0.53 -0.47 -0.23 -1.01 0.04 0.00 0.00 177.00 175.86 1fa4 s HIS 39 N -2.90 2.07 -0.09 0.56 3.76 -1.26 -4.81 115.29 112.62 1fa4 s HIS 39 Ca 0.51 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 55.05 1fa4 s HIS 39 Cb -0.10 -1.31 -0.02 0.00 1.11 0.00 0.00 32.58 32.25 1fa4 s HIS 39 CO 0.46 -0.01 -0.16 -0.80 -0.85 0.00 0.00 174.74 173.38 1fa4 s ASN 40 N -0.65 3.85 -0.16 1.40 -0.87 -1.26 -3.92 114.94 113.34 1fa4 s ASN 40 Ca 0.09 -0.31 -0.08 0.00 -1.57 0.00 0.00 52.86 50.99 1fa4 s ASN 40 Cb -0.09 -1.19 -0.04 0.00 -0.02 0.00 0.00 41.25 39.91 1fa4 s ASN 40 CO -0.00 0.25 0.12 -0.69 -2.57 0.00 0.00 177.10 174.20 1fa4 s VAL 41 N -0.16 5.32 0.25 1.60 1.01 -1.25 -3.08 120.40 124.09 1fa4 s VAL 41 Ca -0.01 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1fa4 s VAL 41 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1fa4 s VAL 41 CO 0.03 0.53 0.42 -0.69 0.00 0.00 0.00 175.10 175.39 1fa4 s VAL 42 N -0.34 0.00 -0.11 2.92 1.01 -1.23 -2.14 120.40 120.52 1fa4 s VAL 42 Ca 0.11 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 1fa4 s VAL 42 Cb -0.12 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1fa4 s VAL 42 CO 0.01 0.00 0.06 -0.36 0.00 0.00 0.00 175.10 174.82 1fa4 s PHE 43 N -3.91 0.23 0.35 5.22 0.40 -1.26 -2.34 117.98 116.67 1fa4 s PHE 43 Ca 0.26 -0.08 -0.25 0.00 -0.60 0.00 0.00 56.93 56.26 1fa4 s PHE 43 Cb 0.01 -0.63 -0.13 0.00 0.51 0.00 0.00 43.02 42.77 1fa4 s PHE 43 CO 0.11 -0.36 0.76 -3.47 0.70 0.00 0.00 175.22 172.96 1fa4 n ASP 44 N 5.26 0.09 -1.80 1.36 -0.08 -1.09 -4.85 116.55 115.44 1fa4 n ASP 44 Ca -0.05 1.04 0.07 0.00 -1.51 0.00 0.00 54.79 54.34 1fa4 n ASP 44 Cb 0.49 -1.18 0.39 0.00 2.34 0.00 0.00 41.12 43.16 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 -0.35 3.81 -0.08 -1.67 0.00 -1.26 -4.34 120.51 116.62 1fa4 n ALA 45 Ca 0.11 -1.97 -0.11 0.00 0.00 0.00 0.00 53.44 51.48 1fa4 n ALA 45 Cb 0.35 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 0.51 1.68 -1.60 0.00 0.00 -1.26 -4.62 120.51 115.21 1fa4 n ALA 46 Ca 0.27 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 1fa4 n ALA 46 Cb 1.17 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.96 7.37 -4.94 0.00 4.32 -1.26 -4.88 117.00 114.66 1fa4 n LEU 47 Ca -0.27 -4.34 -0.20 0.00 -0.02 0.00 0.00 56.01 51.18 1fa4 n LEU 47 Cb 0.78 -1.37 -0.02 0.00 -1.62 0.00 0.00 43.42 41.20 1fa4 n LEU 47 CO 0.15 1.93 0.01 0.54 -1.22 0.00 0.00 177.39 178.80 1fa4 s ASN 48 N 0.91 5.66 0.13 -1.43 2.20 -1.26 -4.54 114.94 116.60 1fa4 s ASN 48 Ca 0.60 -0.34 0.01 0.00 -0.94 0.00 0.00 52.86 52.19 1fa4 s ASN 48 Cb 0.26 -1.07 -0.12 0.00 -2.00 0.00 0.00 41.25 38.32 1fa4 s ASN 48 CO -0.11 -0.44 1.29 1.55 -2.94 0.00 0.00 177.10 176.45 1fa4 h PRO 49 N 1.01 0.20 -0.05 3.55 0.13 -1.91 -3.33 132.00 131.60 1fa4 h PRO 49 Ca -0.45 -0.26 -0.07 0.00 -0.87 0.00 0.00 66.00 64.35 1fa4 h PRO 49 Cb 1.26 0.09 -0.10 0.00 0.13 0.00 0.00 31.00 32.37 1fa4 h PRO 49 CO 0.54 1.04 -0.63 0.00 -0.23 0.00 0.00 178.00 178.73 1fa4 n ALA 50 N -2.47 3.48 -2.74 -0.56 0.00 -1.26 -4.95 120.51 112.02 1fa4 n ALA 50 Ca -0.04 -3.15 -0.06 0.00 0.00 0.00 0.00 53.44 50.19 1fa4 n ALA 50 Cb 0.89 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1fa4 n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1fa4 n LYS 51 N -0.78 -2.62 -3.74 0.00 4.76 -1.25 -4.85 118.16 109.67 1fa4 n LYS 51 Ca 0.18 0.02 -0.36 0.00 -2.87 0.00 0.00 58.31 55.28 1fa4 n LYS 51 Cb 0.79 -4.41 -0.10 0.00 -1.84 0.00 0.00 35.03 29.48 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1fa4 s SER 52 N -2.13 5.87 -0.61 4.39 0.01 -1.26 -5.05 113.70 114.93 1fa4 s SER 52 Ca 0.12 0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.28 1fa4 s SER 52 Cb -0.07 -2.05 0.15 0.00 0.21 0.00 0.00 66.02 64.26 1fa4 s SER 52 CO 0.15 0.07 0.56 0.00 0.41 0.00 0.00 173.24 174.42 1fa4 s ALA 53 N 1.04 3.75 0.00 1.44 0.00 -1.26 -4.59 121.76 122.14 1fa4 s ALA 53 Ca 0.06 -2.74 0.00 0.00 0.00 0.00 0.00 51.96 49.29 1fa4 s ALA 53 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1fa4 s ALA 53 CO 0.04 -2.08 0.00 -0.40 0.00 0.00 0.00 175.76 173.32 1fa4 n ASP 54 N 4.91 0.00 0.17 0.00 5.75 -1.26 -4.89 116.55 121.23 1fa4 n ASP 54 Ca -0.07 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.84 1fa4 n ASP 54 Cb 0.42 0.25 0.57 0.00 -1.03 0.00 0.00 41.12 41.32 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 1fa4 h LEU 55 N 0.00 0.00 0.00 -2.12 8.10 -2.00 -3.07 115.31 116.22 1fa4 h LEU 55 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 1fa4 h LEU 55 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1fa4 h LEU 55 CO 0.00 0.00 -0.36 0.00 -4.11 0.00 0.00 178.44 173.97 1fa4 h ALA 56 N 2.17 0.08 -0.46 0.17 0.00 -1.90 -2.61 119.26 116.70 1fa4 h ALA 56 Ca 0.00 -0.68 0.13 0.00 0.00 0.00 0.00 54.91 54.36 1fa4 h ALA 56 Cb 0.33 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1fa4 h ALA 56 CO 0.00 0.21 0.74 0.87 0.00 0.00 0.00 179.25 181.07 1fa4 h LYS 57 N -1.00 0.00 -0.01 0.00 1.57 -1.88 1.40 116.57 116.64 1fa4 h LYS 57 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1fa4 h LYS 57 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1fa4 h LYS 57 CO -0.06 0.00 -0.23 0.45 -0.57 0.00 0.00 179.45 179.04 1fa4 n SER 58 N -3.24 1.73 -0.06 0.86 2.88 -1.23 -4.46 113.62 110.10 1fa4 n SER 58 Ca 0.09 -1.37 -0.17 0.00 -1.33 0.00 0.00 58.87 56.10 1fa4 n SER 58 Cb 0.91 0.35 -0.14 0.00 -0.75 0.00 0.00 64.21 64.58 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1fa4 n LEU 59 N 0.11 2.13 -4.72 2.46 -0.00 0.47 -4.89 117.00 112.55 1fa4 n LEU 59 Ca 0.07 0.09 -0.41 0.00 -0.00 0.00 0.00 56.01 55.75 1fa4 n LEU 59 Cb 0.33 -0.63 -0.04 0.00 -0.00 0.00 0.00 43.42 43.09 1fa4 n LEU 59 CO 0.16 0.77 0.71 -0.44 -0.00 0.00 0.00 177.39 178.59 1fa4 s SER 60 N -6.50 7.39 -0.08 1.96 0.01 -0.36 -4.84 113.70 111.28 1fa4 s SER 60 Ca -0.23 1.80 -0.00 0.00 1.31 0.00 0.00 55.95 58.84 1fa4 s SER 60 Cb 0.08 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1fa4 s SER 60 CO 0.73 -0.19 -0.05 -1.38 0.41 0.00 0.00 173.24 172.76 1fa4 s HIS 61 N 0.42 2.99 -0.13 2.43 -3.43 -0.91 -4.95 115.29 111.71 1fa4 s HIS 61 Ca 0.50 0.00 -0.00 0.00 -0.80 0.00 0.00 55.06 54.76 1fa4 s HIS 61 Cb -0.24 -1.76 0.03 0.00 -1.43 0.00 0.00 32.58 29.18 1fa4 s HIS 61 CO 0.30 0.30 -0.10 0.15 -2.00 0.00 0.00 174.74 173.39 1fa4 s LYS 62 N -0.65 1.78 0.00 -0.38 1.02 -1.26 -3.88 119.74 116.36 1fa4 s LYS 62 Ca 0.10 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1fa4 s LYS 62 Cb -0.12 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1fa4 s LYS 62 CO 0.02 -0.28 0.00 0.94 -0.92 0.00 0.00 175.35 175.11 1fa4 n GLN 63 N 4.88 0.00 -1.72 1.68 7.27 -1.26 -5.11 117.38 123.12 1fa4 n GLN 63 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.93 1fa4 n GLN 63 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 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 0.00 -2.46 -4.84 1.69 4.77 -1.26 -4.88 117.00 110.03 1fa4 n LEU 64 Ca 0.00 1.93 -0.32 0.00 -0.03 0.00 0.00 56.01 57.59 1fa4 n LEU 64 Cb 0.00 -2.18 -0.02 0.00 -2.33 0.00 0.00 43.42 38.89 1fa4 n LEU 64 CO 0.00 -0.74 0.69 -0.76 -1.33 0.00 0.00 177.39 175.26 1fa4 s LEU 65 N -0.64 3.53 0.00 2.23 1.43 -1.25 -4.96 118.68 119.02 1fa4 s LEU 65 Ca 0.00 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 1fa4 s LEU 65 Cb 0.00 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.71 1fa4 s LEU 65 CO 0.00 -0.78 0.55 0.23 0.23 0.00 0.00 176.35 176.58 1fa4 n MET 66 N -1.87 0.39 -4.47 1.70 2.81 -1.26 -4.69 117.12 109.73 1fa4 n MET 66 Ca 0.07 -0.62 -0.34 0.00 -1.81 0.00 0.00 57.70 55.01 1fa4 n MET 66 Cb 0.54 -0.57 -0.13 0.00 -0.71 0.00 0.00 33.22 32.35 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 -0.13 4.60 -0.92 7.83 0.15 -1.26 -5.05 113.70 118.93 1fa4 s SER 67 Ca 0.00 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.22 1fa4 s SER 67 Cb 0.00 -1.74 0.04 0.00 -1.71 0.00 0.00 66.02 62.60 1fa4 s SER 67 CO 0.00 0.16 1.44 -2.16 1.20 0.00 0.00 173.24 173.88 1fa4 s PRO 68 N 0.40 3.39 0.00 5.44 0.04 -1.26 -2.97 135.00 140.04 1fa4 s PRO 68 Ca -0.05 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.23 1fa4 s PRO 68 Cb -0.15 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1fa4 s PRO 68 CO 0.03 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1fa4 n GLY 69 N 6.40 0.90 2.78 0.56 0.00 -1.09 -4.93 105.19 109.81 1fa4 n GLY 69 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.28 0.14 0.00 1.61 -1.52 -1.16 -4.51 119.66 113.94 1fa4 s GLN 70 Ca 0.00 0.30 0.00 0.00 -1.95 0.00 0.00 55.36 53.71 1fa4 s GLN 70 Cb 0.00 -0.98 0.00 0.00 -0.22 0.00 0.00 33.01 31.81 1fa4 s GLN 70 CO 0.00 -0.55 0.00 -1.13 -0.25 0.00 0.00 175.29 173.36 1fa4 n SER 71 N 5.32 0.00 -3.15 5.90 3.41 0.97 -4.07 113.62 122.00 1fa4 n SER 71 Ca -0.05 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.60 1fa4 n SER 71 Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 -0.98 -1.36 6.66 2.01 -1.14 -4.93 115.64 115.90 1fa4 s THR 72 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1fa4 s THR 72 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.57 1fa4 s THR 72 CO 0.00 0.00 1.92 -1.20 -0.69 0.00 0.00 174.62 174.65 1fa4 n SER 73 N 5.43 4.55 -4.68 3.53 7.64 -1.26 -4.00 113.62 124.83 1fa4 n SER 73 Ca 0.00 -2.89 -0.42 0.00 1.01 0.00 0.00 58.87 56.57 1fa4 n SER 73 Cb 0.52 -1.72 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 1fa4 n SER 73 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1fa4 s THR 74 N 3.83 2.66 -0.99 0.44 2.01 -1.19 -4.69 115.64 117.71 1fa4 s THR 74 Ca 0.51 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 62.37 1fa4 s THR 74 Cb 0.08 -3.04 0.07 0.00 0.01 0.00 0.00 72.50 69.62 1fa4 s THR 74 CO 0.02 -0.00 1.35 0.28 -0.69 0.00 0.00 174.62 175.58 1fa4 s THR 75 N 3.08 4.16 0.85 -0.82 -1.32 -1.26 -3.17 115.64 117.17 1fa4 s THR 75 Ca 0.82 -1.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.13 1fa4 s THR 75 Cb -0.45 -4.97 -0.13 0.00 -1.51 0.00 0.00 72.50 65.43 1fa4 s THR 75 CO 0.37 -1.81 -0.48 0.49 -2.21 0.00 0.00 174.62 170.98 1fa4 n PHE 76 N 8.19 -4.16 -1.76 9.09 3.01 -0.35 -4.92 117.46 126.57 1fa4 n PHE 76 Ca 0.30 0.13 -0.31 0.00 1.01 0.00 0.00 57.45 58.58 1fa4 n PHE 76 Cb 0.50 -1.55 0.03 0.00 -0.01 0.00 0.00 39.48 38.46 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 -1.89 3.16 0.00 -1.08 0.04 -1.26 -4.39 135.00 129.57 1fa4 s PRO 77 Ca 0.47 0.75 0.13 0.00 0.04 0.00 0.00 61.00 62.39 1fa4 s PRO 77 Cb -0.27 -2.03 0.75 0.00 0.04 0.00 0.00 34.50 32.99 1fa4 s PRO 77 CO 0.76 -0.89 1.37 0.00 0.04 0.00 0.00 177.00 178.28 1fa4 n ALA 78 N -2.96 2.43 0.89 8.56 0.00 -1.26 -2.74 120.51 125.43 1fa4 n ALA 78 Ca 0.07 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1fa4 n ALA 78 Cb 0.55 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 1fa4 n ALA 78 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fa4 n ASP 79 N -0.73 0.89 -4.49 0.00 5.75 -1.26 -4.74 116.55 111.98 1fa4 n ASP 79 Ca 0.09 -0.89 -0.42 0.00 -0.01 0.00 0.00 54.79 53.56 1fa4 n ASP 79 Cb 0.04 1.10 -0.15 0.00 -1.03 0.00 0.00 41.12 41.09 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1fa4 n ALA 80 N -1.58 0.30 -1.50 2.12 0.00 -1.11 -4.87 120.51 113.88 1fa4 n ALA 80 Ca 0.03 -0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1fa4 n ALA 80 Cb 0.35 -2.28 0.13 0.00 0.00 0.00 0.00 19.45 17.66 1fa4 n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fa4 n PRO 81 N 8.45 -1.03 -2.66 0.00 -0.04 -1.26 -4.31 135.00 134.14 1fa4 n PRO 81 Ca 0.65 -1.26 -0.43 0.00 -0.04 0.00 0.00 63.50 62.42 1fa4 n PRO 81 Cb 0.04 -0.88 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1fa4 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 s ALA 82 N -3.84 3.52 0.00 0.55 0.00 -1.26 -4.72 121.76 116.01 1fa4 s ALA 82 Ca 0.47 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1fa4 s ALA 82 Cb -0.02 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1fa4 s ALA 82 CO 0.33 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1fa4 n GLY 83 N 3.20 2.44 3.61 0.00 0.00 -1.26 -4.73 105.19 108.45 1fa4 n GLY 83 Ca 0.10 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1fa4 n GLY 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fa4 s GLU 84 N -1.83 3.80 -0.73 1.61 -1.05 -1.26 -4.03 118.70 115.21 1fa4 s GLU 84 Ca 0.00 0.66 -0.23 0.00 -0.15 0.00 0.00 54.97 55.26 1fa4 s GLU 84 Cb 0.00 -3.87 0.07 0.00 -0.44 0.00 0.00 34.13 29.90 1fa4 s GLU 84 CO 0.00 -1.25 1.07 0.71 0.95 0.00 0.00 175.26 176.74 1fa4 s TYR 85 N 4.21 2.66 -0.56 4.83 2.02 -0.93 -4.77 117.35 124.81 1fa4 s TYR 85 Ca 0.47 -0.60 -0.28 0.00 -0.37 0.00 0.00 57.07 56.28 1fa4 s TYR 85 Cb -0.09 -4.37 0.02 0.00 -0.40 0.00 0.00 41.96 37.12 1fa4 s TYR 85 CO 0.27 -1.71 1.34 0.99 -1.57 0.00 0.00 175.55 174.87 1fa4 s THR 86 N 4.20 3.87 0.53 -0.71 2.01 -1.26 -1.53 115.64 122.76 1fa4 s THR 86 Ca 0.27 0.76 0.08 0.00 0.31 0.00 0.00 61.69 63.11 1fa4 s THR 86 Cb -0.13 -4.52 0.05 0.00 0.01 0.00 0.00 72.50 67.91 1fa4 s THR 86 CO 0.07 -1.20 0.59 0.72 -0.69 0.00 0.00 174.62 174.11 1fa4 s PHE 87 N 5.65 1.74 0.00 4.92 -0.12 -0.27 -2.66 117.98 127.24 1fa4 s PHE 87 Ca 0.50 -0.71 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1fa4 s PHE 87 Cb -0.10 -2.12 0.00 0.00 -0.63 0.00 0.00 43.02 40.18 1fa4 s PHE 87 CO 0.26 -0.75 0.00 2.48 -0.05 0.00 0.00 175.22 177.16 1fa4 n TYR 88 N -1.97 0.00 -4.25 3.49 4.11 -0.99 -1.81 117.16 115.74 1fa4 n TYR 88 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.83 1fa4 n TYR 88 Cb 0.62 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.86 1fa4 n TYR 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1fa4 n GLU 90 N -0.07 0.67 -0.06 0.00 2.13 -1.18 -3.39 120.64 118.75 1fa4 n GLU 90 Ca -0.11 0.36 -0.05 0.00 0.66 0.00 0.00 57.16 58.02 1fa4 n GLU 90 Cb 0.60 -1.69 -0.04 0.00 0.27 0.00 0.00 31.44 30.58 1fa4 n GLU 90 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1fa4 h PRO 91 N -0.39 0.00 0.00 5.31 0.13 -1.87 -3.30 132.00 131.88 1fa4 h PRO 91 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1fa4 h PRO 91 Cb 1.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.87 1fa4 h PRO 91 CO -0.07 0.32 0.00 0.72 -0.23 0.00 0.00 178.00 178.74 1fa4 n HIS 92 N -4.72 0.00 -1.74 1.56 8.25 -1.26 -4.87 115.22 112.45 1fa4 n HIS 92 Ca -0.04 0.00 -0.64 0.00 -0.26 0.00 0.00 57.72 56.78 1fa4 n HIS 92 Cb 0.17 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.75 0.47 0.00 -0.41 0.63 -1.22 -0.54 116.66 114.85 1fa4 n ARG 93 Ca 0.11 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 1fa4 n ARG 93 Cb 0.05 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.21 1fa4 n ARG 93 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fa4 n GLY 94 N 4.09 1.10 1.94 5.14 0.00 -1.26 -4.98 105.19 111.22 1fa4 n GLY 94 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.63 4.84 -0.90 4.61 0.00 0.30 -4.88 120.51 122.84 1fa4 n ALA 95 Ca 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1fa4 n ALA 95 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.73 0.86 2.92 0.00 0.00 -1.26 -4.65 105.19 102.33 1fa4 n GLY 96 Ca 0.41 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 1.78 -3.78 1.61 2.00 -1.26 -4.78 117.12 110.69 1fa4 n MET 97 Ca 0.00 -1.77 -0.23 0.00 0.00 0.00 0.00 57.70 55.69 1fa4 n MET 97 Cb 0.00 -2.80 -0.18 0.00 0.00 0.00 0.00 33.22 30.25 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 4.39 0.41 0.34 2.03 1.01 -1.26 -3.32 120.40 123.99 1fa4 s VAL 98 Ca 0.51 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.64 1fa4 s VAL 98 Cb 0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1fa4 s VAL 98 CO 0.06 0.27 0.17 0.61 0.00 0.00 0.00 175.10 176.20 1fa4 n GLY 99 N 5.14 3.23 3.20 4.51 0.00 -0.75 -4.88 105.19 115.65 1fa4 n GLY 99 Ca -0.07 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.32 0.39 -0.13 1.61 1.02 -1.25 -1.12 119.74 116.94 1fa4 s LYS 100 Ca 0.24 0.39 -0.12 0.00 0.02 0.00 0.00 55.97 56.50 1fa4 s LYS 100 Cb 0.01 0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.46 1fa4 s LYS 100 CO 0.17 -0.05 0.26 -1.50 -0.92 0.00 0.00 175.35 173.31 1fa4 s ILE 101 N 0.05 5.31 -0.47 2.17 2.07 -0.58 -2.18 121.20 127.56 1fa4 s ILE 101 Ca -0.01 0.49 -0.14 0.00 -1.41 0.00 0.00 60.65 59.58 1fa4 s ILE 101 Cb -0.02 -3.58 0.08 0.00 0.13 0.00 0.00 42.46 39.07 1fa4 s ILE 101 CO 0.01 0.47 0.39 -0.89 -1.91 0.00 0.00 174.94 173.01 1fa4 s THR 102 N -0.10 5.04 -0.36 4.00 2.01 0.64 -2.20 115.64 124.67 1fa4 s THR 102 Ca 0.16 -1.21 -0.14 0.00 0.31 0.00 0.00 61.69 60.81 1fa4 s THR 102 Cb -0.13 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1fa4 s THR 102 CO 0.05 -0.62 0.30 -0.69 -0.69 0.00 0.00 174.62 172.97 1fa4 s VAL 103 N 1.59 5.23 -0.24 3.82 1.01 -1.25 0.48 120.40 131.05 1fa4 s VAL 103 Ca 0.04 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 1fa4 s VAL 103 Cb -0.25 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1fa4 s VAL 103 CO 0.05 -0.11 0.69 0.00 0.00 0.00 0.00 175.10 175.74 1fa4 s ALA 104 N 1.84 3.61 -0.46 5.51 0.00 -1.09 -4.01 121.76 127.15 1fa4 s ALA 104 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1fa4 s ALA 104 Cb -0.17 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1fa4 s ALA 104 CO 0.11 -0.79 0.11 0.41 0.00 0.00 0.00 175.76 175.60