#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 1.25 0.88 6.31 -1.32 -1.26 -4.39 115.64 117.10 1fa4 s THR 2 Ca 0.00 -0.87 -0.14 0.00 -1.21 0.00 0.00 61.69 59.47 1fa4 s THR 2 Cb 0.00 -1.08 0.14 0.00 -1.51 0.00 0.00 72.50 70.05 1fa4 s THR 2 CO 0.00 0.19 1.24 -0.31 -2.21 0.00 0.00 174.62 173.54 1fa4 s TYR 3 N -0.61 2.29 -0.27 9.09 2.02 -0.94 -4.93 117.35 124.01 1fa4 s TYR 3 Ca 0.05 0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 57.24 1fa4 s TYR 3 Cb -0.07 -3.79 0.15 0.00 -0.40 0.00 0.00 41.96 37.84 1fa4 s TYR 3 CO 0.00 -2.19 0.51 0.99 -1.57 0.00 0.00 175.55 173.30 1fa4 s THR 4 N -3.72 -0.82 -0.35 -0.71 2.01 -1.26 -2.18 115.64 108.61 1fa4 s THR 4 Ca 0.68 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 1fa4 s THR 4 Cb -0.08 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.54 1fa4 s THR 4 CO 0.51 -0.02 0.22 0.68 -0.69 0.00 0.00 174.62 175.32 1fa4 s VAL 5 N 2.73 5.06 -0.53 3.82 -7.23 -1.14 -4.96 120.40 118.15 1fa4 s VAL 5 Ca 0.10 -0.38 -0.27 0.00 -1.81 0.00 0.00 61.98 59.62 1fa4 s VAL 5 Cb -0.14 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.19 1fa4 s VAL 5 CO -0.18 -0.05 1.09 -0.54 -0.31 0.00 0.00 175.10 175.11 1fa4 s LYS 6 N 1.68 3.53 0.00 4.82 1.02 -1.21 -4.10 119.74 125.48 1fa4 s LYS 6 Ca 0.05 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.25 1fa4 s LYS 6 Cb -0.18 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 1fa4 s LYS 6 CO 0.09 -1.51 0.00 1.47 -0.92 0.00 0.00 175.35 174.48 1fa4 n LEU 7 N 7.92 0.00 -2.60 3.17 -0.00 -1.25 -3.59 117.00 120.66 1fa4 n LEU 7 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.06 1fa4 n LEU 7 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1fa4 n LEU 7 CO 0.69 -0.46 0.16 0.61 -0.00 0.00 0.00 177.39 178.40 1fa4 n GLY 8 N 5.00 -1.07 3.68 1.47 0.00 -1.26 -4.12 105.19 108.89 1fa4 n GLY 8 Ca 0.00 0.58 -0.36 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.02 1.37 -0.42 1.61 3.41 -1.03 -4.75 113.62 112.79 1fa4 n SER 9 Ca 0.04 0.75 0.14 0.00 -0.26 0.00 0.00 58.87 59.54 1fa4 n SER 9 Cb 0.43 -1.49 0.53 0.00 -0.26 0.00 0.00 64.21 63.41 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 -1.90 1.36 0.00 4.04 2.03 -1.26 -3.80 116.55 117.01 1fa4 n ASP 10 Ca 0.15 -1.38 0.00 0.00 0.52 0.00 0.00 54.79 54.07 1fa4 n ASP 10 Cb 0.49 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.52 0.00 -0.67 3.00 -1.26 -5.01 118.16 113.70 1fa4 n LYS 11 Ca 0.18 -0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1fa4 n LYS 11 Cb 0.34 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.51 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fa4 n GLY 12 N 0.03 2.10 0.00 3.14 0.00 -1.25 -5.15 105.19 104.06 1fa4 n GLY 12 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.74 0.99 4.32 -1.26 -4.92 117.00 112.39 1fa4 n LEU 13 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1fa4 n LEU 13 Cb 0.00 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.64 1fa4 n LEU 13 CO 0.00 0.00 -0.36 -0.76 -1.22 0.00 0.00 177.39 175.05 1fa4 s LEU 14 N 0.00 1.42 -0.18 2.23 1.43 -1.26 -2.46 118.68 119.86 1fa4 s LEU 14 Ca 0.00 -0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 52.06 1fa4 s LEU 14 Cb 0.00 -0.67 0.09 0.00 0.03 0.00 0.00 46.19 45.64 1fa4 s LEU 14 CO 0.00 -0.32 0.31 0.68 0.23 0.00 0.00 176.35 177.25 1fa4 s VAL 15 N 1.80 -0.48 0.59 -1.59 -7.23 -1.26 -4.19 120.40 108.03 1fa4 s VAL 15 Ca 0.01 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.14 1fa4 s VAL 15 Cb -0.17 -0.59 -0.11 0.00 0.56 0.00 0.00 36.38 36.07 1fa4 s VAL 15 CO -0.12 0.02 0.20 0.49 -0.31 0.00 0.00 175.10 175.38 1fa4 n PHE 16 N 5.36 -1.80 -3.55 2.82 3.72 -1.26 -4.02 117.46 118.72 1fa4 n PHE 16 Ca -0.06 0.41 -0.18 0.00 -0.05 0.00 0.00 57.45 57.57 1fa4 n PHE 16 Cb 0.50 -1.82 -0.14 0.00 -0.94 0.00 0.00 39.48 37.08 1fa4 n PHE 16 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1fa4 s GLU 17 N -1.76 0.15 1.03 -1.08 2.02 -1.24 -3.67 118.70 114.16 1fa4 s GLU 17 Ca 0.62 0.31 -0.17 0.00 0.02 0.00 0.00 54.97 55.75 1fa4 s GLU 17 Cb -0.44 -0.95 0.22 0.00 0.10 0.00 0.00 34.13 33.06 1fa4 s GLU 17 CO 0.61 -0.55 1.25 -1.25 0.02 0.00 0.00 175.26 175.33 1fa4 s PRO 18 N 2.32 0.09 0.00 0.39 0.04 -1.26 -3.29 135.00 133.29 1fa4 s PRO 18 Ca 0.05 -0.28 0.29 0.00 0.04 0.00 0.00 61.00 61.10 1fa4 s PRO 18 Cb -0.15 -1.77 1.64 0.00 0.04 0.00 0.00 34.50 34.26 1fa4 s PRO 18 CO -0.10 -2.80 2.04 0.00 0.04 0.00 0.00 177.00 176.18 1fa4 n ALA 19 N -4.07 2.52 -2.22 8.56 0.00 -1.24 -4.79 120.51 119.27 1fa4 n ALA 19 Ca 0.14 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1fa4 n ALA 19 Cb 0.59 -1.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.19 1.00 -0.26 0.00 0.00 -1.26 -3.33 119.74 113.69 1fa4 s LYS 20 Ca 0.38 -1.44 -0.07 0.00 0.00 0.00 0.00 55.97 54.84 1fa4 s LYS 20 Cb 0.20 -0.35 0.12 0.00 0.00 0.00 0.00 37.83 37.80 1fa4 s LYS 20 CO 0.37 -0.03 0.54 -1.17 0.00 0.00 0.00 175.35 175.06 1fa4 s LEU 21 N -3.13 -0.96 -0.61 2.77 2.96 -0.88 -4.92 118.68 113.92 1fa4 s LEU 21 Ca 0.17 1.18 -0.21 0.00 -0.22 0.00 0.00 54.13 55.05 1fa4 s LEU 21 Cb 0.05 1.86 0.07 0.00 0.50 0.00 0.00 46.19 48.67 1fa4 s LEU 21 CO -0.00 -0.24 0.85 -0.89 -1.32 0.00 0.00 176.35 174.75 1fa4 s THR 22 N 2.76 4.54 0.16 3.68 2.01 -1.26 0.22 115.64 127.76 1fa4 s THR 22 Ca 0.00 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1fa4 s THR 22 Cb -0.13 -4.56 0.02 0.00 0.01 0.00 0.00 72.50 67.84 1fa4 s THR 22 CO -0.17 -1.24 0.20 2.30 -0.69 0.00 0.00 174.62 175.02 1fa4 n ILE 23 N 5.81 0.00 -4.00 1.82 -5.35 0.34 -4.86 119.36 113.12 1fa4 n ILE 23 Ca -0.05 -0.56 -0.25 0.00 -0.27 0.00 0.00 62.75 61.62 1fa4 n ILE 23 Cb 0.45 -0.76 -0.05 0.00 -1.74 0.00 0.00 39.64 37.54 1fa4 n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1fa4 s LYS 24 N -2.72 2.29 -1.27 6.28 1.02 -1.26 -3.06 119.74 121.01 1fa4 s LYS 24 Ca 0.15 -1.86 -0.19 0.00 0.02 0.00 0.00 55.97 54.09 1fa4 s LYS 24 Cb -0.01 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.27 1fa4 s LYS 24 CO 0.10 -0.26 1.80 -0.35 -0.92 0.00 0.00 175.35 175.71 1fa4 n PRO 25 N -1.42 2.79 0.00 -1.68 -0.04 -1.26 -3.26 135.00 130.12 1fa4 n PRO 25 Ca -0.01 -3.06 0.00 0.00 -0.04 0.00 0.00 63.50 60.38 1fa4 n PRO 25 Cb 0.64 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 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 5.47 1.31 2.09 0.55 0.00 -0.25 -4.19 105.19 110.17 1fa4 n GLY 26 Ca 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.63 -4.30 1.61 9.92 -1.20 -4.01 116.55 115.94 1fa4 n ASP 27 Ca 0.00 -0.35 -0.27 0.00 -0.53 0.00 0.00 54.79 53.63 1fa4 n ASP 27 Cb 0.00 -0.55 -0.14 0.00 -0.64 0.00 0.00 41.12 39.79 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 -1.61 1.90 -0.01 -3.53 2.01 -1.26 -2.01 115.64 111.14 1fa4 s THR 28 Ca 0.27 -1.39 0.05 0.00 0.31 0.00 0.00 61.69 60.93 1fa4 s THR 28 Cb -0.05 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 1fa4 s THR 28 CO 0.23 0.20 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 1fa4 s VAL 29 N -0.89 1.32 0.18 3.82 1.01 -1.10 -2.22 120.40 122.53 1fa4 s VAL 29 Ca 0.10 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1fa4 s VAL 29 Cb -0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1fa4 s VAL 29 CO 0.03 0.35 0.12 -1.61 0.00 0.00 0.00 175.10 173.99 1fa4 s GLU 30 N -0.44 2.80 -0.44 2.72 2.02 -0.93 -2.77 118.70 121.65 1fa4 s GLU 30 Ca 0.06 -0.96 0.06 0.00 0.02 0.00 0.00 54.97 54.15 1fa4 s GLU 30 Cb -0.07 -2.57 0.18 0.00 0.10 0.00 0.00 34.13 31.77 1fa4 s GLU 30 CO -0.00 0.46 0.55 -0.06 0.02 0.00 0.00 175.26 176.23 1fa4 s PHE 31 N -1.83 -0.84 0.40 1.61 0.40 -1.26 -2.86 117.98 113.60 1fa4 s PHE 31 Ca 0.31 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1fa4 s PHE 31 Cb -0.09 -0.08 -0.00 0.00 0.51 0.00 0.00 43.02 43.36 1fa4 s PHE 31 CO 0.23 -1.10 0.58 -0.48 0.70 0.00 0.00 175.22 175.15 1fa4 s LEU 32 N 1.07 3.78 0.38 -0.37 2.34 -1.26 -4.20 118.68 120.42 1fa4 s LEU 32 Ca 0.24 0.03 -0.09 0.00 0.06 0.00 0.00 54.13 54.37 1fa4 s LEU 32 Cb -0.04 -2.94 -0.06 0.00 -0.56 0.00 0.00 46.19 42.59 1fa4 s LEU 32 CO -0.07 -0.61 0.73 0.54 -1.06 0.00 0.00 176.35 175.88 1fa4 s ASN 33 N -4.21 6.50 -0.11 1.48 2.20 -1.26 -3.87 114.94 115.67 1fa4 s ASN 33 Ca 0.47 1.04 -0.08 0.00 -0.94 0.00 0.00 52.86 53.35 1fa4 s ASN 33 Cb -0.10 -2.28 -0.03 0.00 -2.00 0.00 0.00 41.25 36.84 1fa4 s ASN 33 CO 0.35 -0.36 -0.16 -3.20 -2.94 0.00 0.00 177.10 170.78 1fa4 n ASN 34 N -1.24 1.33 -1.95 3.54 5.15 -1.26 -2.05 115.26 118.78 1fa4 n ASN 34 Ca 0.02 0.45 -0.04 0.00 -0.60 0.00 0.00 54.58 54.40 1fa4 n ASN 34 Cb 0.54 -0.74 0.04 0.00 -0.53 0.00 0.00 39.78 39.09 1fa4 n ASN 34 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fa4 n LYS 35 N -3.95 0.78 -2.81 1.20 0.00 -1.26 -4.30 118.16 107.81 1fa4 n LYS 35 Ca -0.07 -1.27 -0.10 0.00 0.00 0.00 0.00 58.31 56.87 1fa4 n LYS 35 Cb 0.24 0.34 0.07 0.00 0.00 0.00 0.00 35.03 35.68 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 -0.79 0.03 -1.92 3.15 0.31 -1.26 -5.13 118.33 112.72 1fa4 n VAL 36 Ca -0.20 -2.21 -0.29 0.00 -0.01 0.00 0.00 64.34 61.63 1fa4 n VAL 36 Cb 0.81 1.00 0.14 0.00 -0.91 0.00 0.00 33.84 34.89 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 -0.50 1.21 0.83 5.55 0.04 -1.26 -4.77 135.00 136.09 1fa4 s PRO 37 Ca 0.26 -0.18 -0.10 0.00 0.04 0.00 0.00 61.00 61.02 1fa4 s PRO 37 Cb 0.33 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 33.13 1fa4 s PRO 37 CO -0.06 -2.07 1.16 -1.25 0.04 0.00 0.00 177.00 174.82 1fa4 s PRO 38 N -5.76 1.36 0.06 0.56 0.04 -1.26 -5.08 135.00 124.91 1fa4 s PRO 38 Ca 0.69 -0.52 0.06 0.00 0.04 0.00 0.00 61.00 61.27 1fa4 s PRO 38 Cb -0.07 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 1fa4 s PRO 38 CO 0.51 -1.84 -0.18 -1.01 0.04 0.00 0.00 177.00 174.52 1fa4 s HIS 39 N -3.53 1.56 -0.31 0.56 3.76 -1.26 -4.86 115.29 111.20 1fa4 s HIS 39 Ca 0.68 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1fa4 s HIS 39 Cb -0.06 -0.91 0.05 0.00 1.11 0.00 0.00 32.58 32.77 1fa4 s HIS 39 CO 0.49 0.09 0.03 1.21 -0.85 0.00 0.00 174.74 175.71 1fa4 s ASN 40 N -1.35 5.02 -0.31 1.40 3.84 -1.26 -3.83 114.94 118.45 1fa4 s ASN 40 Ca 0.04 -1.22 -0.12 0.00 0.21 0.00 0.00 52.86 51.77 1fa4 s ASN 40 Cb -0.09 -1.76 -0.03 0.00 -0.55 0.00 0.00 41.25 38.82 1fa4 s ASN 40 CO 0.02 -0.28 0.24 -0.69 -2.79 0.00 0.00 177.10 173.61 1fa4 s VAL 41 N 1.30 5.27 0.25 -5.21 1.01 -1.26 -3.96 120.40 117.80 1fa4 s VAL 41 Ca -0.04 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1fa4 s VAL 41 Cb -0.20 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1fa4 s VAL 41 CO 0.00 0.11 0.38 0.68 0.00 0.00 0.00 175.10 176.27 1fa4 s VAL 42 N 1.80 0.00 -0.24 2.92 -7.23 -1.24 -2.61 120.40 113.80 1fa4 s VAL 42 Ca 0.08 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1fa4 s VAL 42 Cb -0.17 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.47 1fa4 s VAL 42 CO 0.11 0.00 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.48 1fa4 s PHE 43 N -3.89 2.57 0.20 2.82 0.40 -1.26 -2.14 117.98 116.67 1fa4 s PHE 43 Ca 0.29 -1.89 -0.31 0.00 -0.60 0.00 0.00 56.93 54.42 1fa4 s PHE 43 Cb 0.02 -1.67 -0.16 0.00 0.51 0.00 0.00 43.02 41.71 1fa4 s PHE 43 CO 0.12 -0.80 1.02 -3.47 0.70 0.00 0.00 175.22 172.79 1fa4 n ASP 44 N 4.62 0.83 -2.00 1.36 -0.08 -1.24 -4.78 116.55 115.27 1fa4 n ASP 44 Ca -0.12 1.15 -0.14 0.00 -1.51 0.00 0.00 54.79 54.17 1fa4 n ASP 44 Cb 0.44 -1.17 -0.07 0.00 2.34 0.00 0.00 41.12 42.66 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 0.93 5.66 0.00 -1.67 0.00 -1.26 -3.68 120.51 120.49 1fa4 n ALA 45 Ca 0.14 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.86 1fa4 n ALA 45 Cb 0.25 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 1.47 1.16 -3.33 0.00 0.00 -1.26 -4.94 120.51 113.60 1fa4 n ALA 46 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1fa4 n ALA 46 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.72 5.38 -4.30 0.00 4.77 -1.24 -5.01 117.00 115.88 1fa4 n LEU 47 Ca 0.00 -5.12 -0.21 0.00 -0.03 0.00 0.00 56.01 50.65 1fa4 n LEU 47 Cb 0.06 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 39.72 1fa4 n LEU 47 CO 0.00 1.50 -0.48 0.54 -1.33 0.00 0.00 177.39 177.62 1fa4 s ASN 48 N 0.13 2.46 0.19 -1.43 2.20 -1.26 -4.38 114.94 112.86 1fa4 s ASN 48 Ca 0.31 -0.80 0.26 0.00 -0.94 0.00 0.00 52.86 51.69 1fa4 s ASN 48 Cb -0.05 -0.13 0.86 0.00 -2.00 0.00 0.00 41.25 39.93 1fa4 s ASN 48 CO -0.05 -0.04 1.78 -0.81 -2.94 0.00 0.00 177.10 175.05 1fa4 n PRO 49 N 0.56 0.23 -0.81 3.55 -0.04 -1.26 -3.75 135.00 133.47 1fa4 n PRO 49 Ca -0.15 0.21 0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1fa4 n PRO 49 Cb 0.56 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.76 2.31 -2.71 0.55 0.00 -1.26 -5.02 120.51 112.62 1fa4 n ALA 50 Ca 0.05 -1.87 -0.08 0.00 0.00 0.00 0.00 53.44 51.54 1fa4 n ALA 50 Cb 0.40 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 19.30 1fa4 n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fa4 n LYS 51 N -0.09 -0.54 -4.14 0.00 3.00 -1.25 -4.97 118.16 110.17 1fa4 n LYS 51 Ca 0.06 0.73 -0.10 0.00 -0.00 0.00 0.00 58.31 59.00 1fa4 n LYS 51 Cb 0.85 -0.97 -0.10 0.00 0.00 0.00 0.00 35.03 34.81 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1fa4 s SER 52 N -0.88 0.95 -0.31 3.14 0.01 -1.26 -5.06 113.70 110.28 1fa4 s SER 52 Ca 0.08 -0.98 0.14 0.00 1.31 0.00 0.00 55.95 56.50 1fa4 s SER 52 Cb -0.01 0.12 0.47 0.00 0.21 0.00 0.00 66.02 66.81 1fa4 s SER 52 CO 0.18 -0.49 1.10 0.00 0.41 0.00 0.00 173.24 174.44 1fa4 n ALA 53 N 0.06 3.89 0.00 1.44 0.00 -1.26 -4.80 120.51 119.84 1fa4 n ALA 53 Ca -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 49.91 1fa4 n ALA 53 Cb 0.61 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1fa4 n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fa4 n ASP 54 N -0.50 0.00 0.28 0.00 5.68 -1.26 -4.71 116.55 116.04 1fa4 n ASP 54 Ca 0.24 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.70 1fa4 n ASP 54 Cb 0.83 0.01 0.94 0.00 -1.14 0.00 0.00 41.12 41.76 1fa4 n ASP 54 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1fa4 h LEU 55 N 0.00 0.00 0.12 -2.12 8.10 -1.98 -1.18 115.31 118.25 1fa4 h LEU 55 Ca 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.64 1fa4 h LEU 55 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 1fa4 h LEU 55 CO 0.00 0.00 -1.93 0.00 -4.11 0.00 0.00 178.44 172.40 1fa4 h ALA 56 N 1.89 0.44 -0.90 0.17 0.00 -1.89 -3.32 119.26 115.65 1fa4 h ALA 56 Ca 0.00 -1.37 0.25 0.00 0.00 0.00 0.00 54.91 53.79 1fa4 h ALA 56 Cb 0.10 0.64 -0.15 0.00 0.00 0.00 0.00 17.79 18.38 1fa4 h ALA 56 CO 0.00 1.31 0.18 -0.22 0.00 0.00 0.00 179.25 180.52 1fa4 h LYS 57 N 0.07 0.14 -1.02 0.00 1.63 -1.49 1.48 116.57 117.37 1fa4 h LYS 57 Ca -0.39 -0.01 -0.51 0.00 -0.85 0.00 0.00 60.65 58.89 1fa4 h LYS 57 Cb 2.04 -0.03 -0.28 0.00 -0.60 0.00 0.00 32.23 33.36 1fa4 h LYS 57 CO 0.10 0.09 0.65 0.45 -3.45 0.00 0.00 179.45 177.29 1fa4 n SER 58 N -5.30 4.57 0.02 4.20 2.88 -1.22 -4.38 113.62 114.40 1fa4 n SER 58 Ca 0.22 -3.52 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 1fa4 n SER 58 Cb 0.71 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 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 -0.94 0.04 -4.67 2.46 7.94 0.49 -4.79 117.00 117.52 1fa4 n LEU 59 Ca 0.55 0.05 -0.43 0.00 -1.11 0.00 0.00 56.01 55.08 1fa4 n LEU 59 Cb 1.36 0.02 -0.02 0.00 0.53 0.00 0.00 43.42 45.31 1fa4 n LEU 59 CO 0.60 -0.39 0.93 -0.94 -1.11 0.00 0.00 177.39 176.48 1fa4 s SER 60 N -5.05 7.09 -0.24 1.96 1.04 0.00 -4.88 113.70 113.63 1fa4 s SER 60 Ca 0.00 1.49 -0.11 0.00 0.48 0.00 0.00 55.95 57.82 1fa4 s SER 60 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 1fa4 s SER 60 CO 0.00 -0.65 0.17 -1.38 0.98 0.00 0.00 173.24 172.36 1fa4 s HIS 61 N 3.01 3.32 0.08 5.02 -3.43 -1.07 -4.92 115.29 117.31 1fa4 s HIS 61 Ca 0.48 0.25 -0.09 0.00 -0.80 0.00 0.00 55.06 54.90 1fa4 s HIS 61 Cb -0.17 -2.27 -0.25 0.00 -1.43 0.00 0.00 32.58 28.46 1fa4 s HIS 61 CO 0.11 0.08 1.16 0.87 -2.00 0.00 0.00 174.74 174.95 1fa4 h LYS 62 N 7.45 0.44 -6.13 -0.38 1.57 -1.95 -3.39 116.57 114.18 1fa4 h LYS 62 Ca -0.38 -0.63 -0.76 0.00 -1.87 0.00 0.00 60.65 57.01 1fa4 h LYS 62 Cb 1.17 0.21 0.03 0.00 0.08 0.00 0.00 32.23 33.72 1fa4 h LYS 62 CO 0.67 1.27 0.66 0.94 -0.57 0.00 0.00 179.45 182.41 1fa4 n GLN 63 N -3.69 0.79 -1.61 3.15 7.27 -1.26 -4.91 117.38 117.13 1fa4 n GLN 63 Ca -0.11 0.29 -0.29 0.00 0.07 0.00 0.00 57.00 56.97 1fa4 n GLN 63 Cb 0.98 -1.91 0.13 0.00 2.41 0.00 0.00 30.24 31.85 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 2.31 2.09 0.00 1.69 1.02 -1.26 -4.92 118.68 119.61 1fa4 s LEU 64 Ca 0.96 0.88 0.01 0.00 0.02 0.00 0.00 54.13 56.00 1fa4 s LEU 64 Cb -1.15 -3.20 0.14 0.00 0.02 0.00 0.00 46.19 42.00 1fa4 s LEU 64 CO 0.63 -2.50 0.98 0.18 0.02 0.00 0.00 176.35 175.67 1fa4 n LEU 65 N -3.72 0.00 0.00 1.79 4.32 -1.25 -4.96 117.00 113.18 1fa4 n LEU 65 Ca 0.07 -2.15 0.00 0.00 -0.02 0.00 0.00 56.01 53.92 1fa4 n LEU 65 Cb 0.60 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1fa4 n LEU 65 CO 0.56 -0.97 0.00 0.23 -1.22 0.00 0.00 177.39 176.00 1fa4 n MET 66 N -2.80 0.00 -2.82 3.23 2.81 -1.26 -4.60 117.12 111.68 1fa4 n MET 66 Ca 0.17 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.69 1fa4 n MET 66 Cb 0.59 -0.05 -0.06 0.00 -0.71 0.00 0.00 33.22 32.98 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 -3.93 7.27 -0.88 7.83 0.15 -1.26 -4.90 113.70 117.98 1fa4 s SER 67 Ca 0.00 1.78 -0.25 0.00 0.70 0.00 0.00 55.95 58.18 1fa4 s SER 67 Cb 0.00 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1fa4 s SER 67 CO 0.00 -0.09 1.36 -2.16 1.20 0.00 0.00 173.24 173.55 1fa4 s PRO 68 N -2.16 3.39 0.00 5.44 0.04 -1.26 -3.96 135.00 136.48 1fa4 s PRO 68 Ca 0.51 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1fa4 s PRO 68 Cb -0.17 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.60 1fa4 s PRO 68 CO 0.22 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.50 1fa4 n GLY 69 N 6.12 0.93 0.00 0.56 0.00 -0.87 -4.90 105.19 107.02 1fa4 n GLY 69 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.00 1.61 10.64 -1.25 -4.84 117.38 123.54 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 0.00 2.61 3.41 -1.26 -4.61 113.62 113.77 1fa4 n SER 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1fa4 n SER 71 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fa4 n SER 71 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1fa4 n THR 72 N 0.00 0.00 -3.44 6.66 -2.24 -1.26 -5.01 114.28 108.99 1fa4 n THR 72 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1fa4 n THR 72 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1fa4 n THR 72 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fa4 s SER 73 N 1.32 2.45 -0.50 3.42 1.04 -1.26 -4.24 113.70 115.92 1fa4 s SER 73 Ca 0.00 -1.63 -0.27 0.00 0.48 0.00 0.00 55.95 54.53 1fa4 s SER 73 Cb 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1fa4 s SER 73 CO 0.00 -0.34 1.94 -0.89 0.98 0.00 0.00 173.24 174.93 1fa4 s THR 74 N 1.57 3.33 -1.30 2.02 2.01 -1.12 -4.87 115.64 117.29 1fa4 s THR 74 Ca 0.15 0.25 -0.18 0.00 0.31 0.00 0.00 61.69 62.21 1fa4 s THR 74 Cb -0.18 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1fa4 s THR 74 CO -0.13 -0.59 1.82 0.41 -0.69 0.00 0.00 174.62 175.44 1fa4 n THR 75 N 7.41 3.62 -1.36 -0.82 -1.04 -1.26 -2.72 114.28 118.12 1fa4 n THR 75 Ca 0.24 -3.70 -0.44 0.00 -2.04 0.00 0.00 64.05 58.11 1fa4 n THR 75 Cb 0.51 -2.36 -0.01 0.00 -1.82 0.00 0.00 70.33 66.65 1fa4 n THR 75 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1fa4 n PHE 76 N 8.83 -1.29 -1.72 -1.42 3.01 -0.85 -4.92 117.46 119.10 1fa4 n PHE 76 Ca 0.49 0.75 -0.29 0.00 1.01 0.00 0.00 57.45 59.41 1fa4 n PHE 76 Cb 0.45 -1.87 0.10 0.00 -0.01 0.00 0.00 39.48 38.15 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 -1.06 1.79 0.00 -1.08 0.04 -1.26 -4.11 135.00 129.31 1fa4 s PRO 77 Ca 0.61 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.98 1fa4 s PRO 77 Cb -0.74 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.00 1fa4 s PRO 77 CO 0.60 -1.75 1.09 0.00 0.04 0.00 0.00 177.00 176.98 1fa4 n ALA 78 N -3.46 2.49 0.02 8.56 0.00 -1.26 -1.09 120.51 125.77 1fa4 n ALA 78 Ca 0.07 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1fa4 n ALA 78 Cb 0.59 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 1fa4 n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fa4 n ASP 79 N -0.24 0.09 -4.50 0.00 2.03 -1.26 -4.78 116.55 107.88 1fa4 n ASP 79 Ca 0.03 0.01 -0.41 0.00 0.52 0.00 0.00 54.79 54.94 1fa4 n ASP 79 Cb 0.08 1.85 -0.15 0.00 -0.72 0.00 0.00 41.12 42.18 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fa4 n ALA 80 N -2.24 0.29 -2.22 -1.67 0.00 -1.18 -4.82 120.51 108.68 1fa4 n ALA 80 Ca -0.03 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 1fa4 n ALA 80 Cb 0.56 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 1fa4 n ALA 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1fa4 s PRO 81 N 8.99 4.57 0.18 0.00 0.04 -1.26 -4.46 135.00 143.07 1fa4 s PRO 81 Ca 1.36 1.66 -0.32 0.00 0.04 0.00 0.00 61.00 63.74 1fa4 s PRO 81 Cb -1.25 -3.32 -0.16 0.00 0.04 0.00 0.00 34.50 29.80 1fa4 s PRO 81 CO 0.49 0.02 1.00 0.00 0.04 0.00 0.00 177.00 178.55 1fa4 n ALA 82 N 2.87 -1.42 0.00 8.56 0.00 -1.26 -4.76 120.51 124.51 1fa4 n ALA 82 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1fa4 n ALA 82 Cb 0.47 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.81 -0.70 2.77 0.00 0.00 -1.07 -4.94 105.19 103.06 1fa4 n GLY 83 Ca 0.15 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.17 0.58 0.56 1.61 8.01 -1.26 -3.80 118.70 123.22 1fa4 s GLU 84 Ca 0.00 0.12 0.08 0.00 0.01 0.00 0.00 54.97 55.18 1fa4 s GLU 84 Cb 0.00 -0.95 0.08 0.00 -4.31 0.00 0.00 34.13 28.95 1fa4 s GLU 84 CO 0.00 -0.30 0.70 0.66 0.01 0.00 0.00 175.26 176.33 1fa4 n TYR 85 N 5.14 -1.96 -3.37 1.61 4.02 -0.01 -4.10 117.16 118.49 1fa4 n TYR 85 Ca -0.07 -2.10 0.02 0.00 -0.01 0.00 0.00 57.90 55.74 1fa4 n TYR 85 Cb 0.50 -0.52 -0.03 0.00 -0.02 0.00 0.00 39.34 39.28 1fa4 n TYR 85 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1fa4 s THR 86 N -2.53 -0.82 0.30 -0.72 2.01 -1.26 -3.49 115.64 109.13 1fa4 s THR 86 Ca 0.53 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.62 1fa4 s THR 86 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.43 1fa4 s THR 86 CO 0.34 0.00 0.11 0.72 -0.69 0.00 0.00 174.62 175.10 1fa4 s PHE 87 N 2.81 2.78 0.00 4.92 -0.71 -0.92 -3.67 117.98 123.18 1fa4 s PHE 87 Ca 0.04 -0.28 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 1fa4 s PHE 87 Cb -0.12 -1.47 0.00 0.00 -1.21 0.00 0.00 43.02 40.23 1fa4 s PHE 87 CO -0.18 0.45 0.00 2.48 -1.34 0.00 0.00 175.22 176.63 1fa4 n TYR 88 N -1.08 -0.10 -4.00 3.49 4.11 -0.91 -1.91 117.16 116.76 1fa4 n TYR 88 Ca -0.05 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.65 1fa4 n TYR 88 Cb 0.60 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.77 1fa4 n TYR 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1fa4 h GLU 90 N 7.59 0.48 0.00 0.00 4.81 -1.96 -3.25 114.58 122.24 1fa4 h GLU 90 Ca -0.32 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1fa4 h GLU 90 Cb 1.14 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1fa4 h GLU 90 CO 0.40 0.31 -0.00 -1.00 -0.73 0.00 0.00 179.01 177.99 1fa4 h PRO 91 N 0.49 -0.01 -4.05 0.92 0.13 -1.94 -3.37 132.00 124.18 1fa4 h PRO 91 Ca 0.15 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.89 1fa4 h PRO 91 Cb -0.01 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.16 1fa4 h PRO 91 CO -0.06 -0.00 1.99 0.72 -0.23 0.00 0.00 178.00 180.42 1fa4 n HIS 92 N -2.20 1.00 1.03 1.56 8.25 -1.25 -4.30 115.22 119.31 1fa4 n HIS 92 Ca -0.00 -1.39 0.12 0.00 -0.26 0.00 0.00 57.72 56.19 1fa4 n HIS 92 Cb 0.00 -1.31 0.18 0.00 1.12 0.00 0.00 29.99 29.98 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 5.63 0.17 -1.62 -0.41 0.63 -1.23 -4.10 116.66 115.74 1fa4 n ARG 93 Ca 0.36 -0.11 -0.30 0.00 -0.92 0.00 0.00 57.85 56.88 1fa4 n ARG 93 Cb 0.21 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 31.68 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 1.47 6.09 2.26 5.14 0.00 -1.26 -4.51 105.19 114.39 1fa4 n GLY 94 Ca 0.06 -2.45 -0.00 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.83 2.73 -1.54 4.61 0.00 -1.26 -4.95 120.51 119.27 1fa4 n ALA 95 Ca 0.55 -2.05 -0.11 0.00 0.00 0.00 0.00 53.44 51.82 1fa4 n ALA 95 Cb 0.80 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.46 0.74 3.13 0.00 0.00 -1.26 -4.32 105.19 103.02 1fa4 n GLY 96 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.93 1.04 -3.52 1.61 2.00 -1.26 -4.67 117.12 110.39 1fa4 n MET 97 Ca -0.11 -1.44 -0.29 0.00 0.00 0.00 0.00 57.70 55.85 1fa4 n MET 97 Cb 0.41 -2.66 -0.13 0.00 0.00 0.00 0.00 33.22 30.84 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 5.33 0.28 0.28 2.03 1.01 -1.26 -3.27 120.40 124.79 1fa4 s VAL 98 Ca 0.53 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 1fa4 s VAL 98 Cb 0.13 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.35 1fa4 s VAL 98 CO 0.15 -0.91 0.38 0.61 0.00 0.00 0.00 175.10 175.33 1fa4 n GLY 99 N 4.28 0.09 3.55 4.51 0.00 -0.80 -4.87 105.19 111.94 1fa4 n GLY 99 Ca 0.07 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.53 0.55 0.05 1.61 1.02 -1.21 -2.15 119.74 116.08 1fa4 s LYS 100 Ca 0.24 1.29 -0.24 0.00 0.02 0.00 0.00 55.97 57.27 1fa4 s LYS 100 Cb -0.01 0.56 -0.06 0.00 -0.52 0.00 0.00 37.83 37.80 1fa4 s LYS 100 CO 0.16 -0.20 0.75 0.42 -0.92 0.00 0.00 175.35 175.56 1fa4 s ILE 101 N 2.48 4.71 -0.27 2.17 1.01 -1.23 -2.08 121.20 127.99 1fa4 s ILE 101 Ca -0.06 1.59 -0.01 0.00 0.00 0.00 0.00 60.65 62.17 1fa4 s ILE 101 Cb -0.10 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.31 1fa4 s ILE 101 CO -0.18 0.39 -0.04 -0.89 0.00 0.00 0.00 174.94 174.22 1fa4 s THR 102 N -0.20 2.82 -0.18 2.92 2.01 0.60 -0.83 115.64 122.78 1fa4 s THR 102 Ca 0.37 -1.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 1fa4 s THR 102 Cb -0.21 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1fa4 s THR 102 CO 0.23 0.03 0.16 -0.69 -0.69 0.00 0.00 174.62 173.66 1fa4 s VAL 103 N 1.26 5.40 0.00 3.82 1.01 -1.25 0.13 120.40 130.77 1fa4 s VAL 103 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1fa4 s VAL 103 Cb -0.18 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1fa4 s VAL 103 CO -0.03 0.46 0.00 0.00 0.00 0.00 0.00 175.10 175.53 1fa4 n ALA 104 N 3.28 0.00 0.00 5.51 0.00 -1.17 -2.60 120.51 125.52 1fa4 n ALA 104 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1fa4 n ALA 104 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91