#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 1.88 0.46 2.62 2.01 -1.26 -4.43 115.64 116.91 1fa4 s THR 2 Ca 0.00 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.11 1fa4 s THR 2 Cb 0.00 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.90 1fa4 s THR 2 CO 0.00 0.52 0.64 -0.31 -0.69 0.00 0.00 174.62 174.78 1fa4 s TYR 3 N 0.21 2.91 -0.15 4.92 2.02 -1.10 -4.98 117.35 121.18 1fa4 s TYR 3 Ca -0.13 -0.17 -0.23 0.00 -0.37 0.00 0.00 57.07 56.16 1fa4 s TYR 3 Cb -0.16 -2.45 0.06 0.00 -0.40 0.00 0.00 41.96 39.01 1fa4 s TYR 3 CO 0.06 -0.52 0.60 0.99 -1.57 0.00 0.00 175.55 175.11 1fa4 s THR 4 N -2.49 0.01 -0.53 -0.71 2.01 -1.26 -1.54 115.64 111.12 1fa4 s THR 4 Ca 0.54 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.55 1fa4 s THR 4 Cb -0.10 -0.87 0.25 0.00 0.01 0.00 0.00 72.50 71.80 1fa4 s THR 4 CO 0.35 -0.03 0.66 0.52 -0.69 0.00 0.00 174.62 175.43 1fa4 n VAL 5 N 2.02 1.03 -1.47 3.82 0.31 -1.07 -4.76 118.33 118.22 1fa4 n VAL 5 Ca -0.16 -4.70 -0.47 0.00 -0.01 0.00 0.00 64.34 59.00 1fa4 n VAL 5 Cb 0.56 -1.99 -0.07 0.00 -0.91 0.00 0.00 33.84 31.43 1fa4 n VAL 5 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1fa4 n LYS 6 N 1.05 0.92 -3.38 5.55 4.81 -1.26 -4.31 118.16 121.54 1fa4 n LYS 6 Ca 0.26 0.20 -0.31 0.00 -0.87 0.00 0.00 58.31 57.58 1fa4 n LYS 6 Cb 0.47 -2.51 -0.05 0.00 0.02 0.00 0.00 35.03 32.96 1fa4 n LYS 6 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1fa4 s LEU 7 N 8.47 4.14 0.00 3.14 2.34 -1.26 -4.02 118.68 131.48 1fa4 s LEU 7 Ca 1.11 0.90 0.00 0.00 0.06 0.00 0.00 54.13 56.20 1fa4 s LEU 7 Cb -0.79 -3.67 0.00 0.00 -0.56 0.00 0.00 46.19 41.17 1fa4 s LEU 7 CO 0.45 -0.11 0.00 0.61 -1.06 0.00 0.00 176.35 176.24 1fa4 n GLY 8 N -0.31 0.58 0.38 -3.48 0.00 -1.26 -3.90 105.19 97.20 1fa4 n GLY 8 Ca 0.00 -0.73 0.18 0.00 0.00 0.00 0.00 46.02 45.47 1fa4 n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fa4 h SER 9 N 0.00 0.00 0.00 1.61 4.64 -1.81 -3.44 113.55 114.54 1fa4 h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fa4 h SER 9 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fa4 h SER 9 CO 0.00 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.29 1fa4 n ASP 10 N -3.31 -1.07 -0.12 4.97 -0.08 -1.26 -4.94 116.55 110.75 1fa4 n ASP 10 Ca 0.05 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.41 1fa4 n ASP 10 Cb 0.63 -0.49 0.11 0.00 2.34 0.00 0.00 41.12 43.71 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 -1.09 1.23 -0.14 -0.67 5.02 -1.26 -4.92 118.16 116.33 1fa4 n LYS 11 Ca 0.00 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 1fa4 n LYS 11 Cb 0.47 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.17 0.93 3.48 0.72 0.00 -1.26 -5.06 105.19 102.83 1fa4 n GLY 12 Ca 0.13 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1fa4 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fa4 s LEU 13 N 0.00 -0.28 -0.05 0.99 2.96 -1.26 -5.14 118.68 115.90 1fa4 s LEU 13 Ca 0.00 0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1fa4 s LEU 13 Cb 0.00 2.11 -0.04 0.00 0.50 0.00 0.00 46.19 48.76 1fa4 s LEU 13 CO 0.00 -0.35 0.12 -0.76 -1.32 0.00 0.00 176.35 174.05 1fa4 s LEU 14 N -0.28 4.16 -0.21 -0.68 1.43 -1.26 -3.19 118.68 118.65 1fa4 s LEU 14 Ca -0.05 0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1fa4 s LEU 14 Cb -0.03 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 43.99 1fa4 s LEU 14 CO 0.04 0.32 0.51 0.68 0.23 0.00 0.00 176.35 178.13 1fa4 s VAL 15 N -1.15 -0.11 0.34 -1.59 -7.23 -1.26 -4.45 120.40 104.95 1fa4 s VAL 15 Ca 0.21 0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 60.19 1fa4 s VAL 15 Cb -0.12 -0.75 -0.13 0.00 0.56 0.00 0.00 36.38 35.93 1fa4 s VAL 15 CO 0.11 0.03 0.86 0.49 -0.31 0.00 0.00 175.10 176.28 1fa4 n PHE 16 N 4.42 0.70 -3.69 2.82 3.01 -1.26 -4.06 117.46 119.40 1fa4 n PHE 16 Ca -0.21 0.68 -0.27 0.00 1.01 0.00 0.00 57.45 58.66 1fa4 n PHE 16 Cb 0.56 -2.16 -0.17 0.00 -0.01 0.00 0.00 39.48 37.70 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 -1.61 0.43 0.86 -1.08 2.02 -1.26 -3.24 118.70 114.83 1fa4 s GLU 17 Ca 0.61 -0.31 -0.15 0.00 0.02 0.00 0.00 54.97 55.14 1fa4 s GLU 17 Cb -0.67 -2.00 0.20 0.00 0.10 0.00 0.00 34.13 31.76 1fa4 s GLU 17 CO 0.59 -0.66 1.04 -0.35 0.02 0.00 0.00 175.26 175.89 1fa4 n PRO 18 N 5.13 -1.52 -0.01 0.39 -0.04 -1.26 -4.00 135.00 133.69 1fa4 n PRO 18 Ca -0.08 -1.62 0.09 0.00 -0.04 0.00 0.00 63.50 61.85 1fa4 n PRO 18 Cb 0.48 -1.18 0.52 0.00 -0.04 0.00 0.00 33.50 33.28 1fa4 n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fa4 n ALA 19 N -3.93 2.60 -2.51 0.55 0.00 -1.20 -4.82 120.51 111.20 1fa4 n ALA 19 Ca -0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1fa4 n ALA 19 Cb 0.48 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 1fa4 n ALA 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1fa4 s LYS 20 N -1.97 0.85 -0.24 0.00 -2.85 -1.26 -3.34 119.74 110.92 1fa4 s LYS 20 Ca 0.28 -1.02 -0.19 0.00 -1.00 0.00 0.00 55.97 54.03 1fa4 s LYS 20 Cb 0.13 0.33 0.07 0.00 -2.06 0.00 0.00 37.83 36.30 1fa4 s LYS 20 CO 0.22 -0.27 0.63 -0.51 0.10 0.00 0.00 175.35 175.52 1fa4 s LEU 21 N -2.88 -0.53 -0.51 2.77 1.43 -1.08 -4.93 118.68 112.94 1fa4 s LEU 21 Ca 0.07 1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 1fa4 s LEU 21 Cb 0.05 2.16 0.13 0.00 0.03 0.00 0.00 46.19 48.56 1fa4 s LEU 21 CO -0.09 -0.22 0.41 -0.89 0.23 0.00 0.00 176.35 175.78 1fa4 s THR 22 N 0.76 4.52 0.49 5.49 2.01 -1.26 0.85 115.64 128.49 1fa4 s THR 22 Ca -0.03 -1.79 0.08 0.00 0.31 0.00 0.00 61.69 60.26 1fa4 s THR 22 Cb -0.05 -3.94 0.04 0.00 0.01 0.00 0.00 72.50 68.56 1fa4 s THR 22 CO -0.06 -0.82 0.68 0.27 -0.69 0.00 0.00 174.62 174.00 1fa4 s ILE 23 N 1.31 2.64 0.65 1.82 -4.36 -0.43 -4.90 121.20 117.93 1fa4 s ILE 23 Ca 0.06 -0.97 0.04 0.00 -0.26 0.00 0.00 60.65 59.51 1fa4 s ILE 23 Cb -0.26 -2.66 0.10 0.00 1.25 0.00 0.00 42.46 40.89 1fa4 s ILE 23 CO -0.00 0.00 0.89 -0.54 0.24 0.00 0.00 174.94 175.53 1fa4 s LYS 24 N -4.51 1.98 -1.22 0.37 3.01 -1.26 -3.93 119.74 114.19 1fa4 s LYS 24 Ca 0.58 -1.31 -0.18 0.00 -1.01 0.00 0.00 55.97 54.05 1fa4 s LYS 24 Cb -0.08 -2.47 -0.02 0.00 -1.01 0.00 0.00 37.83 34.24 1fa4 s LYS 24 CO 0.36 -1.16 2.03 -0.35 0.51 0.00 0.00 175.35 176.74 1fa4 n PRO 25 N -2.56 2.42 0.00 -1.68 -0.04 -1.26 -3.15 135.00 128.73 1fa4 n PRO 25 Ca 0.15 -2.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1fa4 n PRO 25 Cb 0.61 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 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 4.61 1.38 0.00 0.55 0.00 -1.14 -4.44 105.19 106.15 1fa4 n GLY 26 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -3.69 1.61 9.92 -1.19 -4.76 116.55 118.44 1fa4 n ASP 27 Ca 0.00 -0.58 -0.27 0.00 -0.53 0.00 0.00 54.79 53.41 1fa4 n ASP 27 Cb 0.00 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.31 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 0.23 0.30 -0.14 -3.53 2.01 -1.26 -1.71 115.64 111.53 1fa4 s THR 28 Ca 0.00 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1fa4 s THR 28 Cb 0.00 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1fa4 s THR 28 CO 0.00 -0.21 0.16 -0.69 -0.69 0.00 0.00 174.62 173.19 1fa4 s VAL 29 N 1.96 5.44 -0.05 3.82 1.01 -1.24 -2.72 120.40 128.62 1fa4 s VAL 29 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1fa4 s VAL 29 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1fa4 s VAL 29 CO -0.08 0.54 0.06 -1.61 0.00 0.00 0.00 175.10 174.01 1fa4 s GLU 30 N -0.49 3.08 0.01 2.72 2.02 -0.59 -3.53 118.70 121.92 1fa4 s GLU 30 Ca 0.13 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1fa4 s GLU 30 Cb -0.12 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.23 1fa4 s GLU 30 CO 0.03 0.69 -0.01 -0.06 0.02 0.00 0.00 175.26 175.92 1fa4 s PHE 31 N -1.05 0.10 0.00 1.61 0.08 -1.26 -2.58 117.98 114.88 1fa4 s PHE 31 Ca 0.18 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1fa4 s PHE 31 Cb -0.12 -0.07 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 1fa4 s PHE 31 CO 0.08 -0.05 0.00 1.47 -0.10 0.00 0.00 175.22 176.62 1fa4 n LEU 32 N 2.68 0.00 -4.56 -0.37 -0.00 -1.26 -0.84 117.00 112.65 1fa4 n LEU 32 Ca -0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.59 1fa4 n LEU 32 Cb 0.59 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.91 1fa4 n LEU 32 CO 0.24 0.00 -0.42 0.54 -0.00 0.00 0.00 177.39 177.75 1fa4 s ASN 33 N -0.99 4.18 0.00 1.45 4.22 -1.26 -4.51 114.94 118.02 1fa4 s ASN 33 Ca 0.00 -0.60 0.00 0.00 -2.14 0.00 0.00 52.86 50.12 1fa4 s ASN 33 Cb 0.00 -0.68 0.00 0.00 1.28 0.00 0.00 41.25 41.85 1fa4 s ASN 33 CO 0.00 0.11 0.00 -3.20 -2.04 0.00 0.00 177.10 171.97 1fa4 n ASN 34 N 0.08 0.00 -1.92 3.54 5.15 -1.25 -2.50 115.26 118.35 1fa4 n ASN 34 Ca -0.11 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.88 1fa4 n ASN 34 Cb 0.55 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.83 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 -0.28 0.62 -2.88 1.20 4.81 -1.26 -4.63 118.16 115.73 1fa4 n LYS 35 Ca 0.00 -2.25 -0.12 0.00 -0.87 0.00 0.00 58.31 55.06 1fa4 n LYS 35 Cb 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 35.03 34.71 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 -0.05 -0.13 -1.91 3.15 0.31 -1.26 -5.14 118.33 113.31 1fa4 n VAL 36 Ca 0.00 -2.38 -0.30 0.00 -0.01 0.00 0.00 64.34 61.65 1fa4 n VAL 36 Cb 0.97 0.71 0.16 0.00 -0.91 0.00 0.00 33.84 34.77 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 -0.26 0.96 0.26 5.55 0.04 -1.26 -4.83 135.00 135.45 1fa4 s PRO 37 Ca 0.30 -0.26 -0.03 0.00 0.04 0.00 0.00 61.00 61.05 1fa4 s PRO 37 Cb 0.26 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.99 1fa4 s PRO 37 CO -0.13 -2.22 0.35 -0.35 0.04 0.00 0.00 177.00 174.69 1fa4 n PRO 38 N -3.67 0.01 -4.12 0.56 -0.04 -1.26 -5.10 135.00 121.37 1fa4 n PRO 38 Ca 0.13 -0.72 -0.09 0.00 -0.04 0.00 0.00 63.50 62.78 1fa4 n PRO 38 Cb 0.60 -0.31 -0.10 0.00 -0.04 0.00 0.00 33.50 33.65 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 -1.31 0.69 -0.07 0.54 3.76 -1.22 -4.76 115.29 112.91 1fa4 s HIS 39 Ca 0.21 -0.96 -0.02 0.00 -0.15 0.00 0.00 55.06 54.14 1fa4 s HIS 39 Cb -0.01 -0.44 0.03 0.00 1.11 0.00 0.00 32.58 33.27 1fa4 s HIS 39 CO 0.15 -0.26 0.05 1.21 -0.85 0.00 0.00 174.74 175.04 1fa4 s ASN 40 N -2.87 1.47 -0.39 1.40 3.84 -1.26 -2.94 114.94 114.18 1fa4 s ASN 40 Ca 0.08 -0.08 -0.15 0.00 0.21 0.00 0.00 52.86 52.92 1fa4 s ASN 40 Cb 0.05 -0.24 0.01 0.00 -0.55 0.00 0.00 41.25 40.52 1fa4 s ASN 40 CO -0.07 -0.25 0.30 -0.69 -2.79 0.00 0.00 177.10 173.60 1fa4 s VAL 41 N 2.11 5.25 0.14 -5.21 1.01 -1.26 -4.21 120.40 118.21 1fa4 s VAL 41 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1fa4 s VAL 41 Cb -0.13 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1fa4 s VAL 41 CO -0.04 -0.24 -0.02 -0.69 0.00 0.00 0.00 175.10 174.10 1fa4 s VAL 42 N 1.75 0.61 -0.19 2.92 1.01 -1.26 -3.16 120.40 122.07 1fa4 s VAL 42 Ca 0.06 -1.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.08 1fa4 s VAL 42 Cb -0.18 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1fa4 s VAL 42 CO 0.11 -0.65 -0.12 -0.36 0.00 0.00 0.00 175.10 174.08 1fa4 s PHE 43 N -3.69 2.86 0.25 5.22 0.08 -1.26 -2.76 117.98 118.68 1fa4 s PHE 43 Ca 0.19 -1.25 -0.27 0.00 0.12 0.00 0.00 56.93 55.72 1fa4 s PHE 43 Cb 0.06 -2.00 -0.16 0.00 -0.57 0.00 0.00 43.02 40.35 1fa4 s PHE 43 CO -0.00 -0.65 0.69 -3.47 -0.10 0.00 0.00 175.22 171.69 1fa4 n ASP 44 N 4.62 -0.33 -0.74 1.36 2.03 -0.09 -4.84 116.55 118.57 1fa4 n ASP 44 Ca -0.19 1.13 0.13 0.00 0.52 0.00 0.00 54.79 56.37 1fa4 n ASP 44 Cb 0.51 -1.08 0.32 0.00 -0.72 0.00 0.00 41.12 40.14 1fa4 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fa4 n ALA 45 N -0.00 2.51 -0.06 -1.67 0.00 -1.26 -4.03 120.51 116.00 1fa4 n ALA 45 Ca 0.14 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 1fa4 n ALA 45 Cb 0.29 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.59 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 0.77 2.00 -2.40 0.00 0.00 -1.26 -4.54 120.51 115.08 1fa4 n ALA 46 Ca 0.17 -0.95 -0.41 0.00 0.00 0.00 0.00 53.44 52.25 1fa4 n ALA 46 Cb 0.47 -0.35 0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.50 7.49 -4.72 0.00 7.99 -1.26 -4.97 117.00 119.03 1fa4 n LEU 47 Ca -0.20 -5.13 -0.30 0.00 -0.01 0.00 0.00 56.01 50.37 1fa4 n LEU 47 Cb 0.89 -1.28 -0.07 0.00 -0.11 0.00 0.00 43.42 42.85 1fa4 n LEU 47 CO 0.41 1.97 -0.31 0.54 -1.51 0.00 0.00 177.39 178.49 1fa4 s ASN 48 N -0.57 5.21 0.00 -1.43 2.20 -1.26 -4.24 114.94 114.84 1fa4 s ASN 48 Ca 0.44 -0.12 0.26 0.00 -0.94 0.00 0.00 52.86 52.50 1fa4 s ASN 48 Cb 0.17 -1.30 1.13 0.00 -2.00 0.00 0.00 41.25 39.24 1fa4 s ASN 48 CO -0.08 0.17 1.84 -0.81 -2.94 0.00 0.00 177.10 175.28 1fa4 n PRO 49 N 0.52 0.02 -1.47 3.55 -0.04 -1.26 -3.44 135.00 132.87 1fa4 n PRO 49 Ca -0.10 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1fa4 n PRO 49 Cb 0.52 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.49 2.80 -3.84 0.55 0.00 -1.26 -4.97 120.51 112.30 1fa4 n ALA 50 Ca 0.07 -2.68 -0.32 0.00 0.00 0.00 0.00 53.44 50.51 1fa4 n ALA 50 Cb 0.30 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.05 -0.93 0.00 0.00 2.85 -1.22 -4.86 118.16 113.94 1fa4 n LYS 51 Ca 0.11 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1fa4 n LYS 51 Cb 1.00 -3.87 0.00 0.00 -0.65 0.00 0.00 35.03 31.51 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 -1.82 0.67 -1.31 -5.58 7.64 -1.26 -5.06 113.62 106.89 1fa4 n SER 52 Ca 0.09 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.94 1fa4 n SER 52 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -3.00 1.11 -0.05 -0.43 0.00 -1.26 -4.86 120.51 112.02 1fa4 n ALA 53 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 52.92 1fa4 n ALA 53 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 1fa4 n ALA 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fa4 n ASP 54 N -0.33 2.66 -0.35 0.00 2.03 -1.26 -4.14 116.55 115.15 1fa4 n ASP 54 Ca -0.13 -0.01 0.31 0.00 0.52 0.00 0.00 54.79 55.48 1fa4 n ASP 54 Cb 0.58 -0.20 0.65 0.00 -0.72 0.00 0.00 41.12 41.43 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1fa4 h LEU 55 N -0.09 0.21 0.17 -2.67 8.10 -1.97 0.36 115.31 119.41 1fa4 h LEU 55 Ca -0.24 0.05 -0.32 0.00 0.11 0.00 0.00 57.88 57.49 1fa4 h LEU 55 Cb 1.33 0.02 0.01 0.00 -0.44 0.00 0.00 40.66 41.58 1fa4 h LEU 55 CO -0.07 0.01 -1.52 0.00 -4.11 0.00 0.00 178.44 172.76 1fa4 h ALA 56 N 1.50 0.12 -1.28 0.17 0.00 -1.93 -3.21 119.26 114.63 1fa4 h ALA 56 Ca 0.63 -1.02 0.37 0.00 0.00 0.00 0.00 54.91 54.88 1fa4 h ALA 56 Cb 2.07 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 20.04 1fa4 h ALA 56 CO -0.18 0.99 0.91 -0.22 0.00 0.00 0.00 179.25 180.75 1fa4 h LYS 57 N 0.10 0.06 -0.34 0.00 3.64 -0.44 0.83 116.57 120.40 1fa4 h LYS 57 Ca -0.25 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.92 1fa4 h LYS 57 Cb 2.06 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 33.74 1fa4 h LYS 57 CO 0.20 0.04 -0.24 -1.13 -2.27 0.00 0.00 179.45 176.04 1fa4 n SER 58 N -4.24 2.79 0.03 4.20 3.41 -1.10 -4.69 113.62 114.02 1fa4 n SER 58 Ca 0.29 -3.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 1fa4 n SER 58 Cb 1.31 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1fa4 n SER 58 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1fa4 n LEU 59 N -1.07 0.10 -4.84 1.04 7.94 0.28 -4.98 117.00 115.47 1fa4 n LEU 59 Ca 0.32 0.09 -0.31 0.00 -1.11 0.00 0.00 56.01 55.01 1fa4 n LEU 59 Cb 0.93 0.03 0.03 0.00 0.53 0.00 0.00 43.42 44.94 1fa4 n LEU 59 CO 0.19 -0.42 0.72 -0.44 -1.11 0.00 0.00 177.39 176.32 1fa4 s SER 60 N -5.12 5.72 0.09 1.96 0.01 -0.75 -4.92 113.70 110.69 1fa4 s SER 60 Ca 0.00 1.50 0.10 0.00 1.31 0.00 0.00 55.95 58.86 1fa4 s SER 60 Cb 0.00 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 1fa4 s SER 60 CO 0.00 -1.21 -0.27 -1.38 0.41 0.00 0.00 173.24 170.79 1fa4 s HIS 61 N -3.12 2.32 -0.17 2.43 -3.43 -1.19 -4.95 115.29 107.17 1fa4 s HIS 61 Ca 0.57 -0.40 -0.14 0.00 -0.80 0.00 0.00 55.06 54.29 1fa4 s HIS 61 Cb -0.13 -1.32 -0.10 0.00 -1.43 0.00 0.00 32.58 29.61 1fa4 s HIS 61 CO 0.54 0.24 -0.04 1.63 -2.00 0.00 0.00 174.74 175.12 1fa4 n LYS 62 N 1.32 0.50 -1.71 -0.38 5.02 -1.26 -4.65 118.16 117.01 1fa4 n LYS 62 Ca -0.17 0.53 -0.59 0.00 -2.02 0.00 0.00 58.31 56.06 1fa4 n LYS 62 Cb 0.52 -1.70 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 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 -4.53 0.97 -1.03 1.97 1.13 -1.26 -4.89 117.38 109.74 1fa4 n GLN 63 Ca -0.18 0.36 -0.30 0.00 -1.94 0.00 0.00 57.00 54.93 1fa4 n GLN 63 Cb 0.45 -2.01 0.14 0.00 0.11 0.00 0.00 30.24 28.93 1fa4 n GLN 63 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1fa4 s LEU 64 N 3.24 2.60 0.13 1.08 1.02 -1.26 -5.02 118.68 120.47 1fa4 s LEU 64 Ca 0.98 1.81 0.06 0.00 0.02 0.00 0.00 54.13 57.00 1fa4 s LEU 64 Cb -1.13 -4.29 -0.04 0.00 0.02 0.00 0.00 46.19 40.76 1fa4 s LEU 64 CO 0.67 -2.67 0.02 -1.48 0.02 0.00 0.00 176.35 172.91 1fa4 s LEU 65 N -6.30 3.46 0.00 1.79 2.34 -1.15 -4.97 118.68 113.85 1fa4 s LEU 65 Ca 0.64 -0.24 0.00 0.00 0.06 0.00 0.00 54.13 54.59 1fa4 s LEU 65 Cb -0.20 -2.15 0.00 0.00 -0.56 0.00 0.00 46.19 43.29 1fa4 s LEU 65 CO 0.57 0.13 0.46 0.23 -1.06 0.00 0.00 176.35 176.69 1fa4 n MET 66 N 0.23 0.34 -2.69 1.48 2.81 -1.26 -3.41 117.12 114.62 1fa4 n MET 66 Ca -0.10 -0.52 -0.41 0.00 -1.81 0.00 0.00 57.70 54.86 1fa4 n MET 66 Cb 0.53 -0.58 -0.04 0.00 -0.71 0.00 0.00 33.22 32.41 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 -0.13 7.45 -1.00 7.83 0.15 -1.26 -4.96 113.70 121.78 1fa4 s SER 67 Ca 0.00 1.83 -0.23 0.00 0.70 0.00 0.00 55.95 58.25 1fa4 s SER 67 Cb 0.00 -2.59 0.04 0.00 -1.71 0.00 0.00 66.02 61.76 1fa4 s SER 67 CO 0.00 -0.10 1.52 -2.16 1.20 0.00 0.00 173.24 173.70 1fa4 s PRO 68 N 0.01 3.43 0.00 5.44 0.04 -1.26 -3.60 135.00 139.05 1fa4 s PRO 68 Ca 0.48 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.53 1fa4 s PRO 68 Cb -0.24 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 28.99 1fa4 s PRO 68 CO 0.30 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.37 1fa4 n GLY 69 N 6.87 1.52 0.00 0.56 0.00 -1.04 -4.95 105.19 108.16 1fa4 n GLY 69 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1fa4 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa4 n GLN 70 N -0.18 0.00 0.00 1.61 10.64 -1.24 -4.71 117.38 123.51 1fa4 n GLN 70 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1fa4 n GLN 70 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1fa4 n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1fa4 n SER 71 N 0.00 0.00 -3.15 2.61 3.41 -0.02 -4.37 113.62 112.10 1fa4 n SER 71 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1fa4 n SER 71 Cb 0.00 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.49 -0.96 -1.15 6.66 -1.32 -1.13 -4.93 115.64 112.33 1fa4 s THR 72 Ca 0.00 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.27 1fa4 s THR 72 Cb 0.00 -0.99 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1fa4 s THR 72 CO 0.00 0.00 1.64 -0.55 -2.21 0.00 0.00 174.62 173.50 1fa4 s SER 73 N 2.86 6.48 -0.47 8.08 0.15 -1.26 -4.22 113.70 125.32 1fa4 s SER 73 Ca 0.18 -1.86 -0.28 0.00 0.70 0.00 0.00 55.95 54.69 1fa4 s SER 73 Cb -0.14 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1fa4 s SER 73 CO -0.22 -1.53 1.40 -0.89 1.20 0.00 0.00 173.24 173.21 1fa4 s THR 74 N 5.32 3.88 -1.07 6.45 2.01 -1.23 -4.93 115.64 126.07 1fa4 s THR 74 Ca 0.52 0.85 -0.22 0.00 0.31 0.00 0.00 61.69 63.15 1fa4 s THR 74 Cb 0.01 -4.30 0.04 0.00 0.01 0.00 0.00 72.50 68.27 1fa4 s THR 74 CO -0.00 -0.90 1.55 0.28 -0.69 0.00 0.00 174.62 174.85 1fa4 s THR 75 N 5.63 3.92 0.45 -0.82 -1.32 -1.26 -3.64 115.64 118.59 1fa4 s THR 75 Ca 0.58 -0.95 -0.15 0.00 -1.21 0.00 0.00 61.69 59.96 1fa4 s THR 75 Cb -0.12 -5.01 -0.13 0.00 -1.51 0.00 0.00 72.50 65.74 1fa4 s THR 75 CO 0.30 -1.87 -0.14 0.49 -2.21 0.00 0.00 174.62 171.19 1fa4 n PHE 76 N 9.24 -2.55 -1.67 9.09 3.01 -0.70 -4.90 117.46 128.98 1fa4 n PHE 76 Ca 0.37 0.35 -0.31 0.00 1.01 0.00 0.00 57.45 58.87 1fa4 n PHE 76 Cb 0.50 -1.39 0.05 0.00 -0.01 0.00 0.00 39.48 38.62 1fa4 n PHE 76 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1fa4 s PRO 77 N -0.90 2.93 0.00 -1.08 0.04 -1.26 -4.37 135.00 130.36 1fa4 s PRO 77 Ca 0.47 0.79 0.11 0.00 0.04 0.00 0.00 61.00 62.41 1fa4 s PRO 77 Cb -0.40 -2.00 0.64 0.00 0.04 0.00 0.00 34.50 32.78 1fa4 s PRO 77 CO 0.56 -1.06 1.39 0.00 0.04 0.00 0.00 177.00 177.93 1fa4 n ALA 78 N -3.08 2.54 1.03 8.56 0.00 -1.26 -2.70 120.51 125.60 1fa4 n ALA 78 Ca 0.07 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1fa4 n ALA 78 Cb 0.55 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.67 1.92 -3.02 0.00 5.68 -1.26 -4.79 116.55 114.40 1fa4 n ASP 79 Ca 0.08 -1.45 -0.35 0.00 -0.50 0.00 0.00 54.79 52.57 1fa4 n ASP 79 Cb 0.04 0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 40.37 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fa4 n ALA 80 N -0.10 0.17 -0.51 2.12 0.00 -1.10 -4.69 120.51 116.41 1fa4 n ALA 80 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 1fa4 n ALA 80 Cb 0.46 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 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 5.51 1.02 -0.42 0.00 -0.04 -1.26 -4.70 135.00 135.11 1fa4 n PRO 81 Ca 0.42 -0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 1fa4 n PRO 81 Cb -0.00 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 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 1.70 -2.16 0.00 0.55 0.00 -1.26 -4.87 120.51 114.48 1fa4 n ALA 82 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1fa4 n ALA 82 Cb 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -1.49 -1.80 3.63 0.00 0.00 -0.33 -4.65 105.19 100.56 1fa4 n GLY 83 Ca 0.00 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 2.29 -0.08 1.61 -1.05 -1.26 -0.96 118.70 119.24 1fa4 s GLU 84 Ca 0.00 -1.13 0.01 0.00 -0.15 0.00 0.00 54.97 53.70 1fa4 s GLU 84 Cb 0.00 -2.31 -0.06 0.00 -0.44 0.00 0.00 34.13 31.33 1fa4 s GLU 84 CO 0.00 0.46 -0.07 0.66 0.95 0.00 0.00 175.26 177.26 1fa4 n TYR 85 N 0.05 0.00 -2.49 4.83 4.01 -1.07 -4.37 117.16 118.12 1fa4 n TYR 85 Ca -0.10 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.58 1fa4 n TYR 85 Cb 0.55 -0.32 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 1fa4 n TYR 85 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1fa4 n THR 86 N -2.71-12.23 -3.44 -0.72 -1.04 -1.26 -3.43 114.28 89.46 1fa4 n THR 86 Ca -0.14 2.61 -0.21 0.00 -2.04 0.00 0.00 64.05 64.27 1fa4 n THR 86 Cb 0.66 -6.31 -0.00 0.00 -1.82 0.00 0.00 70.33 62.86 1fa4 n THR 86 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1fa4 s PHE 87 N -0.61 2.29 0.00 -1.42 -0.12 0.86 -0.91 117.98 118.07 1fa4 s PHE 87 Ca -0.26 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.03 1fa4 s PHE 87 Cb 0.02 -2.17 0.00 0.00 -0.63 0.00 0.00 43.02 40.24 1fa4 s PHE 87 CO 0.70 -0.43 0.00 2.48 -0.05 0.00 0.00 175.22 177.93 1fa4 n TYR 88 N -1.76 -0.31 -4.08 3.49 4.11 -1.11 -2.77 117.16 114.73 1fa4 n TYR 88 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.82 1fa4 n TYR 88 Cb 0.62 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.83 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 5.32 0.23 0.05 0.00 4.81 -1.94 -2.92 114.58 120.13 1fa4 h GLU 90 Ca -0.31 -0.39 -0.10 0.00 -0.13 0.00 0.00 59.36 58.43 1fa4 h GLU 90 Cb 1.20 0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.73 1fa4 h GLU 90 CO 0.46 1.19 -0.40 -1.00 -0.73 0.00 0.00 179.01 178.52 1fa4 h PRO 91 N -0.44 0.19 -0.73 0.92 0.13 -1.94 -3.25 132.00 126.87 1fa4 h PRO 91 Ca -0.21 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fa4 h PRO 91 Cb 1.61 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.83 1fa4 h PRO 91 CO 0.08 1.06 0.00 0.72 -0.23 0.00 0.00 178.00 179.63 1fa4 n HIS 92 N -4.38 0.74 -1.65 1.56 8.25 -1.26 -4.93 115.22 113.55 1fa4 n HIS 92 Ca -0.11 -0.27 -0.45 0.00 -0.26 0.00 0.00 57.72 56.63 1fa4 n HIS 92 Cb 0.62 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 0.27 1.82 -0.10 -0.41 0.63 -1.10 -0.51 116.66 117.26 1fa4 n ARG 93 Ca 0.11 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1fa4 n ARG 93 Cb 0.55 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.23 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 1.85 1.49 2.28 5.14 0.00 -1.26 -4.89 105.19 109.79 1fa4 n GLY 94 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.81 6.14 -1.14 4.61 0.00 0.33 -4.82 120.51 124.83 1fa4 n ALA 95 Ca 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 53.44 50.14 1fa4 n ALA 95 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.85 0.50 2.26 0.00 0.00 -1.26 -4.53 105.19 101.31 1fa4 n GLY 96 Ca 0.60 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.00 3.30 -3.24 1.61 2.00 -1.26 -4.30 117.12 115.23 1fa4 n MET 97 Ca -0.05 -2.05 -0.25 0.00 0.00 0.00 0.00 57.70 55.35 1fa4 n MET 97 Cb 0.52 -2.53 -0.08 0.00 0.00 0.00 0.00 33.22 31.13 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 2.90 -0.75 -1.38 2.03 0.31 -1.26 -2.35 118.33 117.83 1fa4 n VAL 98 Ca 0.66 -3.91 -0.10 0.00 -0.01 0.00 0.00 64.34 60.98 1fa4 n VAL 98 Cb 0.43 -1.90 0.07 0.00 -0.91 0.00 0.00 33.84 31.53 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 1.70 -1.10 3.32 2.92 0.00 -1.11 -4.74 105.19 106.17 1fa4 n GLY 99 Ca 0.23 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.91 0.47 -0.26 1.61 1.02 -1.21 -0.10 119.74 117.37 1fa4 s LYS 100 Ca 0.25 0.69 -0.23 0.00 0.02 0.00 0.00 55.97 56.69 1fa4 s LYS 100 Cb -0.01 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1fa4 s LYS 100 CO 0.17 -0.10 0.77 0.42 -0.92 0.00 0.00 175.35 175.69 1fa4 s ILE 101 N 0.68 4.87 -0.50 2.17 1.01 -1.26 -2.64 121.20 125.53 1fa4 s ILE 101 Ca -0.04 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 61.84 1fa4 s ILE 101 Cb -0.05 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.44 1fa4 s ILE 101 CO -0.05 -0.07 0.44 -0.89 0.00 0.00 0.00 174.94 174.37 1fa4 s THR 102 N 2.76 5.21 -1.09 2.92 2.01 0.25 -2.61 115.64 125.10 1fa4 s THR 102 Ca 0.32 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1fa4 s THR 102 Cb -0.15 -4.21 0.30 0.00 0.01 0.00 0.00 72.50 68.45 1fa4 s THR 102 CO 0.08 -0.69 1.57 0.52 -0.69 0.00 0.00 174.62 175.42 1fa4 n VAL 103 N 5.24 5.40 -2.94 3.82 0.31 -0.14 -1.31 118.33 128.71 1fa4 n VAL 103 Ca -0.13 -5.83 0.02 0.00 -0.01 0.00 0.00 64.34 58.39 1fa4 n VAL 103 Cb 0.42 -2.01 -0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 1.28 -0.46 -0.24 3.52 0.00 -1.26 -2.38 120.51 120.97 1fa4 n ALA 104 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1fa4 n ALA 104 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91