#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 0.39 0.20 6.31 2.01 -1.26 -4.71 115.64 118.58 1fa4 s THR 2 Ca 0.00 -0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 1fa4 s THR 2 Cb 0.00 -0.43 -0.06 0.00 0.01 0.00 0.00 72.50 72.01 1fa4 s THR 2 CO 0.00 0.18 0.48 -0.31 -0.69 0.00 0.00 174.62 174.29 1fa4 s TYR 3 N 0.84 3.44 -0.24 4.92 1.51 -0.79 -4.98 117.35 122.06 1fa4 s TYR 3 Ca -0.10 0.74 -0.18 0.00 -1.01 0.00 0.00 57.07 56.52 1fa4 s TYR 3 Cb -0.13 -2.15 0.07 0.00 -0.11 0.00 0.00 41.96 39.63 1fa4 s TYR 3 CO -0.00 0.33 0.61 -0.08 -1.11 0.00 0.00 175.55 175.29 1fa4 s THR 4 N -1.77 -0.00 -0.42 -0.71 -1.32 -1.26 0.30 115.64 110.45 1fa4 s THR 4 Ca 0.45 0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.87 1fa4 s THR 4 Cb -0.12 -0.87 0.10 0.00 -1.51 0.00 0.00 72.50 70.11 1fa4 s THR 4 CO 0.23 0.01 0.25 0.68 -2.21 0.00 0.00 174.62 173.58 1fa4 s VAL 5 N 0.90 3.87 0.08 5.08 -7.23 0.75 -4.80 120.40 119.04 1fa4 s VAL 5 Ca -0.05 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 1fa4 s VAL 5 Cb -0.05 -3.49 -0.07 0.00 0.56 0.00 0.00 36.38 33.32 1fa4 s VAL 5 CO -0.08 -0.61 1.45 -0.54 -0.31 0.00 0.00 175.10 175.01 1fa4 s LYS 6 N 1.31 4.28 0.59 4.82 1.02 -1.21 -4.24 119.74 126.32 1fa4 s LYS 6 Ca 0.05 2.11 0.07 0.00 0.02 0.00 0.00 55.97 58.21 1fa4 s LYS 6 Cb -0.24 -3.40 0.09 0.00 -0.52 0.00 0.00 37.83 33.76 1fa4 s LYS 6 CO -0.01 -0.55 0.82 -0.48 -0.92 0.00 0.00 175.35 174.22 1fa4 s LEU 7 N 1.77 3.13 -0.34 3.17 2.34 -1.23 -2.97 118.68 124.56 1fa4 s LEU 7 Ca 0.66 -0.66 -0.06 0.00 0.06 0.00 0.00 54.13 54.14 1fa4 s LEU 7 Cb -0.36 -1.86 0.01 0.00 -0.56 0.00 0.00 46.19 43.42 1fa4 s LEU 7 CO 0.29 -1.41 0.20 0.61 -1.06 0.00 0.00 176.35 174.98 1fa4 n GLY 8 N -2.35 -3.19 0.00 -3.48 0.00 -1.24 -4.36 105.19 90.57 1fa4 n GLY 8 Ca 0.15 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.40 0.00 0.00 1.61 3.41 -0.95 -4.80 113.62 113.29 1fa4 n SER 9 Ca 0.04 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1fa4 n SER 9 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 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 -0.14 0.00 -1.04 4.04 2.03 -1.26 -4.96 116.55 115.23 1fa4 n ASP 10 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1fa4 n ASP 10 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 1fa4 n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fa4 n LYS 11 N 0.00 1.12 0.00 -0.67 5.02 -1.26 -4.99 118.16 117.38 1fa4 n LYS 11 Ca 0.00 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 1fa4 n LYS 11 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.52 2.94 0.00 0.72 0.00 -1.26 -5.18 105.19 101.89 1fa4 n GLY 12 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1fa4 n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fa4 n LEU 13 N 0.00 0.00 -4.39 0.99 4.77 -1.26 -4.99 117.00 112.12 1fa4 n LEU 13 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1fa4 n LEU 13 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1fa4 n LEU 13 CO 0.00 0.00 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.01 1fa4 s LEU 14 N 0.00 3.51 0.08 2.23 1.43 -1.26 -2.24 118.68 122.43 1fa4 s LEU 14 Ca 0.00 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 1fa4 s LEU 14 Cb 0.00 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1fa4 s LEU 14 CO 0.00 -0.09 0.16 0.68 0.23 0.00 0.00 176.35 177.33 1fa4 s VAL 15 N 1.56 0.15 0.16 -1.59 -7.23 -1.26 -4.18 120.40 108.00 1fa4 s VAL 15 Ca 0.05 -1.21 -0.28 0.00 -1.81 0.00 0.00 61.98 58.73 1fa4 s VAL 15 Cb -0.16 -1.30 -0.08 0.00 0.56 0.00 0.00 36.38 35.41 1fa4 s VAL 15 CO 0.02 -0.67 0.86 -0.36 -0.31 0.00 0.00 175.10 174.65 1fa4 s PHE 16 N -3.68 3.90 -0.21 2.82 0.08 -1.26 -3.60 117.98 116.02 1fa4 s PHE 16 Ca 0.04 1.74 0.00 0.00 0.12 0.00 0.00 56.93 58.83 1fa4 s PHE 16 Cb 0.04 -2.90 0.05 0.00 -0.57 0.00 0.00 43.02 39.65 1fa4 s PHE 16 CO -0.10 0.41 -0.06 -1.21 -0.10 0.00 0.00 175.22 174.16 1fa4 s GLU 17 N -0.80 1.66 0.84 0.44 2.02 -1.16 -2.63 118.70 119.08 1fa4 s GLU 17 Ca 0.40 -0.86 -0.14 0.00 0.02 0.00 0.00 54.97 54.38 1fa4 s GLU 17 Cb -0.24 -2.45 0.20 0.00 0.10 0.00 0.00 34.13 31.74 1fa4 s GLU 17 CO 0.28 -0.54 1.09 -0.35 0.02 0.00 0.00 175.26 175.77 1fa4 n PRO 18 N 4.72 -1.28 0.21 0.39 -0.04 -1.26 -3.29 135.00 134.45 1fa4 n PRO 18 Ca -0.13 -1.69 -0.10 0.00 -0.04 0.00 0.00 63.50 61.54 1fa4 n PRO 18 Cb 0.45 -1.17 -0.05 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.91 -0.60 -2.15 0.55 0.00 -1.90 -3.45 119.26 109.80 1fa4 h ALA 19 Ca -0.36 -0.15 -0.46 0.00 0.00 0.00 0.00 54.91 53.94 1fa4 h ALA 19 Cb 1.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1fa4 h ALA 19 CO 0.25 -0.57 -0.39 0.15 0.00 0.00 0.00 179.25 178.69 1fa4 s LYS 20 N -3.67 3.40 -0.24 0.00 -0.14 -1.26 -3.54 119.74 114.30 1fa4 s LYS 20 Ca -0.10 -0.74 -0.09 0.00 -1.36 0.00 0.00 55.97 53.69 1fa4 s LYS 20 Cb 0.01 -2.85 0.10 0.00 -1.68 0.00 0.00 37.83 33.41 1fa4 s LYS 20 CO 0.31 0.34 0.51 -0.51 -0.76 0.00 0.00 175.35 175.25 1fa4 s LEU 21 N -4.05 -0.80 -0.48 3.17 1.43 -0.72 -4.90 118.68 112.32 1fa4 s LEU 21 Ca 0.36 1.22 -0.20 0.00 -1.03 0.00 0.00 54.13 54.48 1fa4 s LEU 21 Cb -0.09 1.74 0.04 0.00 0.03 0.00 0.00 46.19 47.90 1fa4 s LEU 21 CO 0.30 -0.23 0.64 -0.89 0.23 0.00 0.00 176.35 176.41 1fa4 s THR 22 N 2.60 4.83 0.44 5.49 2.01 -1.26 -0.78 115.64 128.97 1fa4 s THR 22 Ca -0.04 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1fa4 s THR 22 Cb -0.11 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.13 1fa4 s THR 22 CO -0.15 -0.72 0.44 0.27 -0.69 0.00 0.00 174.62 173.76 1fa4 s ILE 23 N 2.78 2.57 0.65 1.82 -4.36 -0.86 -4.85 121.20 118.95 1fa4 s ILE 23 Ca 0.19 -1.29 -0.03 0.00 -0.26 0.00 0.00 60.65 59.27 1fa4 s ILE 23 Cb -0.16 -2.86 0.06 0.00 1.25 0.00 0.00 42.46 40.75 1fa4 s ILE 23 CO 0.15 0.00 0.92 -0.54 0.24 0.00 0.00 174.94 175.71 1fa4 s LYS 24 N -4.21 2.22 -1.26 0.37 3.01 -1.26 -3.95 119.74 114.66 1fa4 s LYS 24 Ca 0.49 -0.61 -0.19 0.00 -1.01 0.00 0.00 55.97 54.64 1fa4 s LYS 24 Cb -0.04 -2.32 0.01 0.00 -1.01 0.00 0.00 37.83 34.47 1fa4 s LYS 24 CO 0.29 -1.08 1.82 -0.35 0.51 0.00 0.00 175.35 176.54 1fa4 n PRO 25 N -2.68 2.65 0.00 -1.68 -0.04 -1.26 -3.19 135.00 128.80 1fa4 n PRO 25 Ca 0.09 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 1fa4 n PRO 25 Cb 0.60 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 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 5.45 1.23 3.09 0.55 0.00 0.03 -3.88 105.19 111.66 1fa4 n GLY 26 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.68 -4.21 1.61 9.92 -1.19 -4.33 116.55 115.67 1fa4 n ASP 27 Ca 0.00 -0.13 -0.34 0.00 -0.53 0.00 0.00 54.79 53.79 1fa4 n ASP 27 Cb 0.00 -0.73 -0.15 0.00 -0.64 0.00 0.00 41.12 39.60 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 -2.10 2.72 -0.18 -3.53 2.01 -1.26 -2.86 115.64 110.43 1fa4 s THR 28 Ca 0.41 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.57 1fa4 s THR 28 Cb -0.02 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1fa4 s THR 28 CO 0.54 0.46 0.15 -0.69 -0.69 0.00 0.00 174.62 174.39 1fa4 s VAL 29 N 1.38 5.41 -0.01 3.82 1.01 -1.13 -1.88 120.40 129.00 1fa4 s VAL 29 Ca 0.05 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.32 1fa4 s VAL 29 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1fa4 s VAL 29 CO -0.08 0.48 -0.12 -0.70 0.00 0.00 0.00 175.10 174.67 1fa4 s GLU 30 N 0.05 2.42 -0.33 2.72 2.12 0.15 -2.48 118.70 123.34 1fa4 s GLU 30 Ca 0.11 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.65 1fa4 s GLU 30 Cb -0.12 -2.38 0.12 0.00 0.26 0.00 0.00 34.13 32.02 1fa4 s GLU 30 CO 0.00 0.60 0.17 -0.06 -0.54 0.00 0.00 175.26 175.43 1fa4 s PHE 31 N -0.87 0.72 0.27 5.30 0.40 -1.26 -0.18 117.98 122.37 1fa4 s PHE 31 Ca 0.14 -1.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.13 1fa4 s PHE 31 Cb -0.11 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1fa4 s PHE 31 CO 0.04 -0.83 0.41 -0.48 0.70 0.00 0.00 175.22 175.06 1fa4 s LEU 32 N 1.50 4.23 0.00 -0.37 0.05 -1.26 -4.21 118.68 118.62 1fa4 s LEU 32 Ca 0.14 0.13 -0.07 0.00 0.05 0.00 0.00 54.13 54.38 1fa4 s LEU 32 Cb -0.20 -2.95 0.09 0.00 -2.05 0.00 0.00 46.19 41.09 1fa4 s LEU 32 CO -0.17 -0.15 0.51 -0.46 -0.55 0.00 0.00 176.35 175.53 1fa4 n ASN 33 N -1.51 -0.11 0.00 1.48 6.94 -1.26 -3.46 115.26 117.34 1fa4 n ASN 33 Ca -0.07 -1.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.34 1fa4 n ASN 33 Cb 0.57 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1fa4 n ASN 33 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1fa4 n ASN 34 N -3.37 0.00 -2.26 0.53 5.15 -1.26 -4.52 115.26 109.52 1fa4 n ASN 34 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1fa4 n ASN 34 Cb 0.23 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.52 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 1.20 -2.80 1.20 2.85 -1.26 -4.70 118.16 114.65 1fa4 n LYS 35 Ca 0.00 -3.00 -0.10 0.00 -1.05 0.00 0.00 58.31 54.16 1fa4 n LYS 35 Cb 0.00 -1.07 0.07 0.00 -0.65 0.00 0.00 35.03 33.38 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 -0.23 -0.03 -1.87 0.58 0.31 -1.26 -5.14 118.33 110.68 1fa4 n VAL 36 Ca 0.09 -1.94 -0.29 0.00 -0.01 0.00 0.00 64.34 62.19 1fa4 n VAL 36 Cb 0.93 1.22 0.14 0.00 -0.91 0.00 0.00 33.84 35.21 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 -0.06 1.30 0.00 5.55 0.04 -1.26 -4.82 135.00 135.75 1fa4 s PRO 37 Ca 0.25 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1fa4 s PRO 37 Cb 0.29 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.94 1fa4 s PRO 37 CO -0.07 -2.02 0.00 -0.35 0.04 0.00 0.00 177.00 174.60 1fa4 n PRO 38 N -3.56 1.96 -3.61 0.56 -0.04 -1.25 -5.06 135.00 124.01 1fa4 n PRO 38 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 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 0.51 -0.70 -0.17 0.54 3.76 -1.26 -4.87 115.29 113.10 1fa4 s HIS 39 Ca 0.00 1.61 -0.00 0.00 -0.15 0.00 0.00 55.06 56.52 1fa4 s HIS 39 Cb 0.00 0.32 0.00 0.00 1.11 0.00 0.00 32.58 34.01 1fa4 s HIS 39 CO 0.00 -0.40 -0.15 -0.80 -0.85 0.00 0.00 174.74 172.54 1fa4 s ASN 40 N -0.02 3.62 -0.16 1.40 -0.87 -1.26 -4.06 114.94 113.58 1fa4 s ASN 40 Ca -0.02 -0.50 -0.03 0.00 -1.57 0.00 0.00 52.86 50.74 1fa4 s ASN 40 Cb -0.04 -1.57 -0.02 0.00 -0.02 0.00 0.00 41.25 39.60 1fa4 s ASN 40 CO 0.02 0.05 -0.05 -0.69 -2.57 0.00 0.00 177.10 173.86 1fa4 s VAL 41 N 1.01 3.70 0.35 1.60 1.01 -1.26 -3.93 120.40 122.88 1fa4 s VAL 41 Ca -0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1fa4 s VAL 41 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1fa4 s VAL 41 CO -0.03 0.49 0.57 -0.69 0.00 0.00 0.00 175.10 175.43 1fa4 s VAL 42 N 0.52 0.00 -0.10 2.92 1.01 -1.21 -4.22 120.40 119.32 1fa4 s VAL 42 Ca -0.04 -1.42 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1fa4 s VAL 42 Cb -0.15 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1fa4 s VAL 42 CO 0.03 0.00 -0.07 -0.36 0.00 0.00 0.00 175.10 174.70 1fa4 s PHE 43 N -2.90 1.38 0.76 5.22 0.40 -1.26 -2.56 117.98 119.03 1fa4 s PHE 43 Ca 0.26 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 55.84 1fa4 s PHE 43 Cb -0.02 -1.16 0.15 0.00 0.51 0.00 0.00 43.02 42.51 1fa4 s PHE 43 CO 0.17 -0.46 0.35 -3.47 0.70 0.00 0.00 175.22 172.51 1fa4 n ASP 44 N 4.80 -2.65 -0.19 1.36 -0.08 -0.70 -4.84 116.55 114.25 1fa4 n ASP 44 Ca -0.14 -0.35 0.00 0.00 -1.51 0.00 0.00 54.79 52.80 1fa4 n ASP 44 Cb 0.50 -0.57 0.01 0.00 2.34 0.00 0.00 41.12 43.40 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 -3.78 1.50 -1.55 -1.67 0.00 -1.26 -4.79 120.51 108.95 1fa4 n ALA 45 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1fa4 n ALA 45 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.10 1.54 -1.77 0.00 0.00 -1.26 -4.33 120.51 114.59 1fa4 n ALA 46 Ca 0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 53.44 52.57 1fa4 n ALA 46 Cb 0.57 -0.26 0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 4.43 -4.24 0.00 4.32 -1.26 -5.01 117.00 115.23 1fa4 n LEU 47 Ca 0.00 -4.34 -0.17 0.00 -0.02 0.00 0.00 56.01 51.49 1fa4 n LEU 47 Cb 0.60 -0.49 -0.11 0.00 -1.62 0.00 0.00 43.42 41.81 1fa4 n LEU 47 CO 0.00 1.74 -0.44 0.54 -1.22 0.00 0.00 177.39 178.01 1fa4 s ASN 48 N -3.20 1.93 0.00 -1.43 2.20 -1.26 -4.49 114.94 108.69 1fa4 s ASN 48 Ca 0.48 -0.87 0.21 0.00 -0.94 0.00 0.00 52.86 51.73 1fa4 s ASN 48 Cb 0.41 -0.05 1.25 0.00 -2.00 0.00 0.00 41.25 40.86 1fa4 s ASN 48 CO -0.00 -0.20 1.74 -0.81 -2.94 0.00 0.00 177.10 174.89 1fa4 n PRO 49 N 0.29 0.90 -1.46 3.55 -0.04 -1.26 -3.42 135.00 133.56 1fa4 n PRO 49 Ca -0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.36 1fa4 n PRO 49 Cb 0.58 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.87 2.36 -1.73 0.55 0.00 -1.26 -4.94 120.51 114.62 1fa4 n ALA 50 Ca 0.16 -2.28 0.00 0.00 0.00 0.00 0.00 53.44 51.31 1fa4 n ALA 50 Cb 0.07 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 0.48 -0.48 -2.53 0.00 2.85 -1.22 -4.95 118.16 112.31 1fa4 n LYS 51 Ca 0.05 0.56 -0.16 0.00 -1.05 0.00 0.00 58.31 57.72 1fa4 n LYS 51 Cb 1.13 -0.46 0.06 0.00 -0.65 0.00 0.00 35.03 35.11 1fa4 n LYS 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1fa4 n SER 52 N 1.66 1.61 0.00 -5.58 7.64 -1.26 -4.97 113.62 112.72 1fa4 n SER 52 Ca 0.00 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1fa4 n SER 52 Cb 0.10 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1fa4 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fa4 n ALA 53 N -2.52 0.00 0.32 -0.43 0.00 -1.26 -4.81 120.51 111.81 1fa4 n ALA 53 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1fa4 n ALA 53 Cb 0.48 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.00 1fa4 n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1fa4 h ASP 54 N 0.00 0.00 0.00 0.00 2.03 -2.00 -3.12 116.42 113.33 1fa4 h ASP 54 Ca 0.00 -0.11 -0.21 0.00 -0.73 0.00 0.00 57.03 55.98 1fa4 h ASP 54 Cb 0.00 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.46 1fa4 h ASP 54 CO 0.00 0.05 -1.91 0.00 -1.03 0.00 0.00 179.24 176.36 1fa4 n LEU 55 N -2.43 0.00 -0.10 0.15 -0.00 -1.26 -4.39 117.00 108.97 1fa4 n LEU 55 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.16 1fa4 n LEU 55 Cb 0.50 0.28 0.43 0.00 -0.00 0.00 0.00 43.42 44.63 1fa4 n LEU 55 CO 0.38 0.28 0.69 0.00 -0.00 0.00 0.00 177.39 178.74 1fa4 n ALA 56 N -2.43 3.05 -0.06 1.47 0.00 -1.26 -2.67 120.51 118.62 1fa4 n ALA 56 Ca -0.19 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 1fa4 n ALA 56 Cb 0.85 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 1fa4 n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1fa4 h LYS 57 N 0.51 0.01 0.00 0.00 3.64 -1.75 -3.34 116.57 115.65 1fa4 h LYS 57 Ca 0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1fa4 h LYS 57 Cb 0.46 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1fa4 h LYS 57 CO 0.00 1.00 -0.44 1.03 -2.27 0.00 0.00 179.45 178.76 1fa4 h SER 58 N -0.96 0.00 -0.77 4.20 0.87 -1.78 -3.25 113.55 111.85 1fa4 h SER 58 Ca -0.01 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.75 1fa4 h SER 58 Cb 1.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 1fa4 h SER 58 CO 0.01 0.21 0.53 0.25 -0.53 0.00 0.00 176.83 177.29 1fa4 h LEU 59 N 0.00 0.19 -9.36 2.23 5.85 -1.62 -3.39 115.31 109.22 1fa4 h LEU 59 Ca -0.02 0.02 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 1fa4 h LEU 59 Cb 1.17 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1fa4 h LEU 59 CO 0.02 0.09 0.50 -0.44 -0.34 0.00 0.00 178.44 178.27 1fa4 s SER 60 N -5.86 7.26 0.29 1.25 0.01 -1.23 -4.81 113.70 110.61 1fa4 s SER 60 Ca -0.06 1.68 0.13 0.00 1.31 0.00 0.00 55.95 59.00 1fa4 s SER 60 Cb 0.21 -2.57 0.39 0.00 0.21 0.00 0.00 66.02 64.26 1fa4 s SER 60 CO 0.76 -0.38 1.61 1.12 0.41 0.00 0.00 173.24 176.76 1fa4 h HIS 61 N 6.98 0.00 -4.29 2.43 2.07 -1.76 -3.49 115.15 117.08 1fa4 h HIS 61 Ca -0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 1fa4 h HIS 61 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1fa4 h HIS 61 CO 0.70 0.57 -0.83 1.63 -3.07 0.00 0.00 177.93 176.93 1fa4 n LYS 62 N -3.65 -4.84 0.00 5.12 5.02 -1.26 -5.07 118.16 113.48 1fa4 n LYS 62 Ca -0.01 3.42 0.00 0.00 -2.02 0.00 0.00 58.31 59.70 1fa4 n LYS 62 Cb 0.62 -3.83 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 1fa4 n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fa4 n GLN 63 N 1.91 0.00 -3.76 1.97 6.02 -1.26 -5.11 117.38 117.15 1fa4 n GLN 63 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1fa4 n GLN 63 Cb 0.00 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.15 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fa4 s LEU 64 N 0.00 3.82 -1.21 1.08 1.02 -1.26 -4.73 118.68 117.40 1fa4 s LEU 64 Ca 0.00 -0.02 -0.17 0.00 0.02 0.00 0.00 54.13 53.96 1fa4 s LEU 64 Cb 0.00 -2.02 0.11 0.00 0.02 0.00 0.00 46.19 44.30 1fa4 s LEU 64 CO 0.00 0.04 1.54 -0.76 0.02 0.00 0.00 176.35 177.19 1fa4 s LEU 65 N 1.22 4.37 0.00 1.79 1.02 -1.26 -4.70 118.68 121.12 1fa4 s LEU 65 Ca 0.06 -2.52 0.24 0.00 0.02 0.00 0.00 54.13 51.92 1fa4 s LEU 65 Cb -0.14 -2.50 0.64 0.00 0.02 0.00 0.00 46.19 44.21 1fa4 s LEU 65 CO 0.05 -1.03 1.51 0.23 0.02 0.00 0.00 176.35 177.12 1fa4 n MET 66 N 7.25 2.00 -4.31 1.70 2.81 -1.26 -3.77 117.12 121.54 1fa4 n MET 66 Ca 0.41 -1.49 -0.28 0.00 -1.81 0.00 0.00 57.70 54.53 1fa4 n MET 66 Cb 0.46 -1.45 -0.10 0.00 -0.71 0.00 0.00 33.22 31.41 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 -1.73 4.01 -0.63 7.83 0.15 -1.26 -5.05 113.70 117.01 1fa4 s SER 67 Ca 0.34 -0.60 -0.27 0.00 0.70 0.00 0.00 55.95 56.12 1fa4 s SER 67 Cb 0.20 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.93 1fa4 s SER 67 CO 0.30 0.14 1.47 -2.16 1.20 0.00 0.00 173.24 174.19 1fa4 s PRO 68 N -2.51 3.11 0.00 5.44 0.04 -1.26 -2.94 135.00 136.89 1fa4 s PRO 68 Ca 0.21 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.50 1fa4 s PRO 68 Cb -0.09 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.24 1fa4 s PRO 68 CO 0.12 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1fa4 n GLY 69 N 5.40 2.13 3.41 0.56 0.00 -1.26 -5.03 105.19 110.41 1fa4 n GLY 69 Ca 0.11 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.62 1fa4 n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fa4 n GLN 70 N -0.37 0.78 0.00 1.61 1.13 -1.15 -4.45 117.38 114.93 1fa4 n GLN 70 Ca 0.00 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1fa4 n GLN 70 Cb 0.00 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.09 1fa4 n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1fa4 n SER 71 N 9.77 0.00 -3.32 1.08 3.41 -1.26 -4.37 113.62 118.92 1fa4 n SER 71 Ca 0.46 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 1fa4 n SER 71 Cb 0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.95 -0.87 -1.34 6.66 2.01 -1.26 -5.06 115.64 114.83 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 -0.92 0.05 0.00 0.01 0.00 0.00 72.50 71.64 1fa4 s THR 72 CO 0.00 -0.02 1.93 -1.54 -0.69 0.00 0.00 174.62 174.29 1fa4 n SER 73 N 5.41 4.43 -4.47 3.53 3.41 -1.26 -4.16 113.62 120.51 1fa4 n SER 73 Ca -0.04 -2.88 -0.51 0.00 -0.26 0.00 0.00 58.87 55.18 1fa4 n SER 73 Cb 0.50 -1.70 -0.07 0.00 -0.26 0.00 0.00 64.21 62.68 1fa4 n SER 73 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1fa4 n THR 74 N 5.98 0.21 -2.57 6.66 -1.04 -1.04 -4.71 114.28 117.77 1fa4 n THR 74 Ca 0.50 -0.24 -0.41 0.00 -2.04 0.00 0.00 64.05 61.86 1fa4 n THR 74 Cb 0.43 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.27 1fa4 n THR 74 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1fa4 s THR 75 N 6.97 3.91 1.02 12.58 2.01 -1.26 -2.85 115.64 138.02 1fa4 s THR 75 Ca 1.08 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 62.35 1fa4 s THR 75 Cb -0.86 -5.02 -0.08 0.00 0.01 0.00 0.00 72.50 66.56 1fa4 s THR 75 CO 0.50 -1.90 -0.66 0.49 -0.69 0.00 0.00 174.62 172.36 1fa4 n PHE 76 N 8.91 -2.54 -2.06 4.92 3.01 -1.14 -4.90 117.46 123.66 1fa4 n PHE 76 Ca 0.26 0.27 -0.32 0.00 1.01 0.00 0.00 57.45 58.67 1fa4 n PHE 76 Cb 0.50 -1.51 0.01 0.00 -0.01 0.00 0.00 39.48 38.47 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 -2.59 3.41 0.00 -1.08 0.04 -1.26 -4.55 135.00 128.96 1fa4 s PRO 77 Ca 0.45 1.11 0.12 0.00 0.04 0.00 0.00 61.00 62.73 1fa4 s PRO 77 Cb -0.08 -2.05 0.61 0.00 0.04 0.00 0.00 34.50 33.02 1fa4 s PRO 77 CO 0.71 -0.73 1.32 0.00 0.04 0.00 0.00 177.00 178.35 1fa4 n ALA 78 N -2.08 1.70 -0.03 8.56 0.00 -1.26 -0.79 120.51 126.61 1fa4 n ALA 78 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.43 1fa4 n ALA 78 Cb 0.53 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.32 0.71 -3.83 0.00 5.75 -1.25 -4.35 116.55 112.26 1fa4 n ASP 79 Ca 0.05 0.12 -0.31 0.00 -0.01 0.00 0.00 54.79 54.65 1fa4 n ASP 79 Cb 0.11 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 39.62 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 -3.22 -2.70 -1.00 2.12 0.00 -1.24 -4.55 120.51 109.92 1fa4 n ALA 80 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1fa4 n ALA 80 Cb 0.19 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.53 1.03 0.00 0.00 -0.04 -1.26 -4.50 135.00 126.70 1fa4 n PRO 81 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1fa4 n PRO 81 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 1fa4 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 n ALA 82 N -3.00 0.00 0.00 0.55 0.00 -1.26 -4.45 120.51 112.35 1fa4 n ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fa4 n ALA 82 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 1.80 3.17 0.00 0.00 -1.22 -4.32 105.19 104.62 1fa4 n GLY 83 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.01 0.65 -0.18 1.61 2.02 -1.21 -3.22 118.70 118.36 1fa4 s GLU 84 Ca 0.00 0.28 -0.03 0.00 0.02 0.00 0.00 54.97 55.24 1fa4 s GLU 84 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 1fa4 s GLU 84 CO 0.00 -1.10 -0.07 0.71 0.02 0.00 0.00 175.26 174.83 1fa4 s TYR 85 N 2.50 2.93 -0.23 1.61 1.51 0.55 -4.33 117.35 121.89 1fa4 s TYR 85 Ca 0.12 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.46 1fa4 s TYR 85 Cb -0.08 -1.99 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 1fa4 s TYR 85 CO -0.20 -0.32 -0.04 0.99 -1.11 0.00 0.00 175.55 174.87 1fa4 s THR 86 N 0.86 3.26 0.51 -0.71 2.01 -1.26 0.25 115.64 120.55 1fa4 s THR 86 Ca -0.02 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.40 1fa4 s THR 86 Cb -0.15 -2.54 0.04 0.00 0.01 0.00 0.00 72.50 69.86 1fa4 s THR 86 CO 0.01 0.34 0.57 0.72 -0.69 0.00 0.00 174.62 175.57 1fa4 s PHE 87 N 1.44 1.99 0.29 4.92 -0.71 -1.11 -1.73 117.98 123.08 1fa4 s PHE 87 Ca 0.04 -0.64 -0.12 0.00 -1.04 0.00 0.00 56.93 55.17 1fa4 s PHE 87 Cb -0.15 -2.16 0.05 0.00 -1.21 0.00 0.00 43.02 39.54 1fa4 s PHE 87 CO -0.03 -0.64 0.62 2.48 -1.34 0.00 0.00 175.22 176.30 1fa4 n TYR 88 N -1.91 -2.00 -5.21 3.49 0.18 -1.06 -3.35 117.16 107.30 1fa4 n TYR 88 Ca 0.08 -1.40 -0.30 0.00 1.88 0.00 0.00 57.90 58.15 1fa4 n TYR 88 Cb 0.62 0.70 -0.16 0.00 -0.38 0.00 0.00 39.34 40.12 1fa4 n TYR 88 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1fa4 h GLU 90 N 5.88 0.20 0.02 0.00 4.57 -1.94 -3.31 114.58 120.00 1fa4 h GLU 90 Ca -0.36 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 57.51 1fa4 h GLU 90 Cb 1.16 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1fa4 h GLU 90 CO 0.47 1.02 -0.27 -1.00 -1.18 0.00 0.00 179.01 178.05 1fa4 h PRO 91 N -0.51 0.14 -2.58 0.92 0.13 -1.96 -3.37 132.00 124.77 1fa4 h PRO 91 Ca -0.05 -0.18 -0.80 0.00 -0.87 0.00 0.00 66.00 64.10 1fa4 h PRO 91 Cb 1.16 0.06 -0.28 0.00 0.13 0.00 0.00 31.00 32.07 1fa4 h PRO 91 CO 0.07 0.98 0.80 0.72 -0.23 0.00 0.00 178.00 180.35 1fa4 n HIS 92 N -4.48 2.56 1.16 1.56 8.25 -1.26 -4.68 115.22 118.33 1fa4 n HIS 92 Ca -0.10 -2.66 0.10 0.00 -0.26 0.00 0.00 57.72 54.80 1fa4 n HIS 92 Cb 0.54 -1.18 0.35 0.00 1.12 0.00 0.00 29.99 30.82 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 0.65 1.77 -0.00 -0.41 0.63 -1.25 -3.63 116.66 114.42 1fa4 n ARG 93 Ca 0.35 -1.16 0.08 0.00 -0.92 0.00 0.00 57.85 56.20 1fa4 n ARG 93 Cb 0.30 -1.39 -0.11 0.00 0.45 0.00 0.00 32.46 31.71 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 1.14 -0.67 2.07 5.14 0.00 -1.26 -4.36 105.19 107.25 1fa4 n GLY 94 Ca 0.16 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.73 5.42 -2.13 4.61 0.00 -1.24 -4.84 120.51 120.61 1fa4 n ALA 95 Ca 0.00 -2.54 -0.09 0.00 0.00 0.00 0.00 53.44 50.81 1fa4 n ALA 95 Cb 0.35 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.62 -0.12 2.74 0.00 0.00 -1.26 -4.20 105.19 101.74 1fa4 n GLY 96 Ca 0.49 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.43 1.53 -3.63 1.61 2.81 -1.25 -4.48 117.12 111.28 1fa4 n MET 97 Ca -0.11 -1.25 -0.26 0.00 -1.81 0.00 0.00 57.70 54.27 1fa4 n MET 97 Cb 0.51 -2.37 -0.17 0.00 -0.71 0.00 0.00 33.22 30.48 1fa4 n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1fa4 s VAL 98 N 3.93 0.01 0.09 2.03 1.01 -1.26 -2.36 120.40 123.84 1fa4 s VAL 98 Ca 0.32 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1fa4 s VAL 98 Cb 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1fa4 s VAL 98 CO -0.01 -0.26 0.11 0.61 0.00 0.00 0.00 175.10 175.54 1fa4 n GLY 99 N 5.24 2.33 3.42 4.51 0.00 -1.21 -4.91 105.19 114.57 1fa4 n GLY 99 Ca -0.07 -2.16 -0.07 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.40 0.46 -0.19 1.61 1.02 -1.23 -2.73 119.74 116.27 1fa4 s LYS 100 Ca 0.08 1.12 -0.19 0.00 0.02 0.00 0.00 55.97 56.99 1fa4 s LYS 100 Cb -0.01 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.63 1fa4 s LYS 100 CO 0.05 -0.20 0.55 0.42 -0.92 0.00 0.00 175.35 175.24 1fa4 s ILE 101 N 2.28 5.09 -0.55 2.17 1.01 0.70 -1.76 121.20 130.14 1fa4 s ILE 101 Ca -0.06 1.02 -0.10 0.00 0.00 0.00 0.00 60.65 61.51 1fa4 s ILE 101 Cb -0.10 -3.87 0.14 0.00 0.01 0.00 0.00 42.46 38.64 1fa4 s ILE 101 CO -0.15 0.17 0.44 -0.89 0.00 0.00 0.00 174.94 174.51 1fa4 s THR 102 N 1.63 4.53 -1.10 2.92 2.01 0.04 0.21 115.64 125.88 1fa4 s THR 102 Ca 0.26 -1.95 -0.06 0.00 0.31 0.00 0.00 61.69 60.24 1fa4 s THR 102 Cb -0.16 -3.94 0.30 0.00 0.01 0.00 0.00 72.50 68.72 1fa4 s THR 102 CO 0.10 -0.84 1.37 0.52 -0.69 0.00 0.00 174.62 175.08 1fa4 n VAL 103 N 4.69 5.08 -1.35 3.82 0.31 -1.20 -2.03 118.33 127.66 1fa4 n VAL 103 Ca -0.04 -5.74 -0.54 0.00 -0.01 0.00 0.00 64.34 58.01 1fa4 n VAL 103 Cb 0.41 -2.25 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 1fa4 n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fa4 n ALA 104 N 1.81 0.60 -0.71 3.52 0.00 -1.26 -3.39 120.51 121.08 1fa4 n ALA 104 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1fa4 n ALA 104 Cb 0.35 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91