#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 5.01 -0.14 2.62 -4.23 -1.26 -4.51 115.64 113.12 1fa4 s THR 2 Ca 0.00 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 1fa4 s THR 2 Cb 0.00 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1fa4 s THR 2 CO 0.00 0.24 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.82 1fa4 s TYR 3 N -1.34 2.71 -0.07 3.99 1.51 -0.92 -5.00 117.35 118.22 1fa4 s TYR 3 Ca 0.28 -1.21 0.03 0.00 -1.01 0.00 0.00 57.07 55.17 1fa4 s TYR 3 Cb -0.12 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1fa4 s TYR 3 CO 0.20 -0.55 -0.16 -0.08 -1.11 0.00 0.00 175.55 173.85 1fa4 s THR 4 N 0.79 2.82 -0.76 -0.71 -1.32 -1.26 0.23 115.64 115.44 1fa4 s THR 4 Ca -0.07 -0.79 -0.03 0.00 -1.21 0.00 0.00 61.69 59.60 1fa4 s THR 4 Cb -0.16 -2.11 0.19 0.00 -1.51 0.00 0.00 72.50 68.91 1fa4 s THR 4 CO -0.01 0.57 0.61 0.68 -2.21 0.00 0.00 174.62 174.26 1fa4 s VAL 5 N -0.29 4.09 0.13 5.08 -7.23 0.32 -4.89 120.40 117.62 1fa4 s VAL 5 Ca 0.02 -3.37 -0.33 0.00 -1.81 0.00 0.00 61.98 56.48 1fa4 s VAL 5 Cb -0.13 -3.60 -0.13 0.00 0.56 0.00 0.00 36.38 33.08 1fa4 s VAL 5 CO 0.03 -0.98 1.66 1.17 -0.31 0.00 0.00 175.10 176.66 1fa4 n LYS 6 N 2.96 2.28 -3.43 4.82 4.81 -1.24 -4.33 118.16 124.03 1fa4 n LYS 6 Ca 0.14 0.82 -0.23 0.00 -0.87 0.00 0.00 58.31 58.18 1fa4 n LYS 6 Cb 0.38 -2.62 0.04 0.00 0.02 0.00 0.00 35.03 32.84 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 1.51 2.86 -0.33 3.14 2.34 -1.26 -2.95 118.68 123.99 1fa4 s LEU 7 Ca 0.80 -1.07 -0.05 0.00 0.06 0.00 0.00 54.13 53.87 1fa4 s LEU 7 Cb -0.64 -1.34 0.01 0.00 -0.56 0.00 0.00 46.19 43.65 1fa4 s LEU 7 CO 0.39 -1.29 0.37 0.61 -1.06 0.00 0.00 176.35 175.37 1fa4 n GLY 8 N -2.07 -0.97 0.60 -3.48 0.00 -1.13 -4.37 105.19 93.78 1fa4 n GLY 8 Ca 0.08 0.47 0.42 0.00 0.00 0.00 0.00 46.02 47.00 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 0.77 0.01 0.00 1.61 4.64 -1.73 -3.44 113.55 115.42 1fa4 h SER 9 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1fa4 h SER 9 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1fa4 h SER 9 CO 0.14 -0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.20 1fa4 n ASP 10 N -4.11 0.00 -0.07 4.97 5.68 -1.26 -4.75 116.55 117.02 1fa4 n ASP 10 Ca 0.33 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.65 1fa4 n ASP 10 Cb 1.55 -0.32 0.04 0.00 -1.14 0.00 0.00 41.12 41.25 1fa4 n ASP 10 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1fa4 n LYS 11 N -2.00 1.74 0.00 0.11 4.81 -1.26 -4.98 118.16 116.57 1fa4 n LYS 11 Ca 0.00 -1.57 0.00 0.00 -0.87 0.00 0.00 58.31 55.87 1fa4 n LYS 11 Cb 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1fa4 n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa4 n GLY 12 N -0.62 -1.96 0.00 3.14 0.00 -1.26 -5.17 105.19 99.32 1fa4 n GLY 12 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1fa4 n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fa4 n LEU 13 N -0.65 0.00 -4.29 0.99 7.94 -1.26 -5.05 117.00 114.68 1fa4 n LEU 13 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 1fa4 n LEU 13 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1fa4 n LEU 13 CO 0.00 0.00 -0.38 -0.76 -1.11 0.00 0.00 177.39 175.14 1fa4 s LEU 14 N 0.00 3.07 0.07 -1.96 1.43 -1.26 -2.82 118.68 117.21 1fa4 s LEU 14 Ca 0.00 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.41 1fa4 s LEU 14 Cb 0.00 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1fa4 s LEU 14 CO 0.00 -0.06 0.36 0.68 0.23 0.00 0.00 176.35 177.56 1fa4 s VAL 15 N 1.45 0.07 0.67 -1.59 -7.23 -1.26 -3.95 120.40 108.56 1fa4 s VAL 15 Ca 0.04 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.46 1fa4 s VAL 15 Cb -0.15 -1.05 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1fa4 s VAL 15 CO -0.03 -0.34 1.09 -0.36 -0.31 0.00 0.00 175.10 175.15 1fa4 s PHE 16 N -3.04 2.76 -0.17 2.82 0.08 -1.26 -2.83 117.98 116.34 1fa4 s PHE 16 Ca -0.02 1.53 -0.04 0.00 0.12 0.00 0.00 56.93 58.52 1fa4 s PHE 16 Cb 0.01 -3.08 0.07 0.00 -0.57 0.00 0.00 43.02 39.45 1fa4 s PHE 16 CO -0.06 -1.52 0.18 -1.21 -0.10 0.00 0.00 175.22 172.51 1fa4 s GLU 17 N -4.34 0.13 0.91 0.44 2.02 -1.15 -3.77 118.70 112.94 1fa4 s GLU 17 Ca 0.64 0.26 -0.15 0.00 0.02 0.00 0.00 54.97 55.74 1fa4 s GLU 17 Cb -0.18 -1.04 0.21 0.00 0.10 0.00 0.00 34.13 33.22 1fa4 s GLU 17 CO 0.44 -0.56 1.12 -0.35 0.02 0.00 0.00 175.26 175.94 1fa4 n PRO 18 N 5.31 -1.55 0.07 0.39 -0.04 -1.26 -3.65 135.00 134.27 1fa4 n PRO 18 Ca -0.06 -1.74 -0.11 0.00 -0.04 0.00 0.00 63.50 61.56 1fa4 n PRO 18 Cb 0.50 -1.26 -0.01 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 -2.01 0.50 -2.46 0.55 0.00 -1.96 -3.45 119.26 110.42 1fa4 h ALA 19 Ca -0.37 -0.68 -0.57 0.00 0.00 0.00 0.00 54.91 53.29 1fa4 h ALA 19 Cb 1.06 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 1fa4 h ALA 19 CO 0.26 0.83 -0.64 0.21 0.00 0.00 0.00 179.25 179.91 1fa4 s LYS 20 N -3.36 2.38 -0.26 0.00 2.47 -1.26 -3.04 119.74 116.67 1fa4 s LYS 20 Ca -0.05 -1.28 -0.01 0.00 -1.56 0.00 0.00 55.97 53.07 1fa4 s LYS 20 Cb 0.10 -2.26 0.14 0.00 -1.46 0.00 0.00 37.83 34.35 1fa4 s LYS 20 CO 0.84 0.40 0.39 -1.17 0.16 0.00 0.00 175.35 175.98 1fa4 s LEU 21 N -3.42 -0.70 -0.86 5.43 2.96 -1.11 -4.98 118.68 116.00 1fa4 s LEU 21 Ca 0.30 0.10 -0.24 0.00 -0.22 0.00 0.00 54.13 54.06 1fa4 s LEU 21 Cb -0.08 1.15 0.05 0.00 0.50 0.00 0.00 46.19 47.82 1fa4 s LEU 21 CO 0.20 -0.31 1.31 -0.89 -1.32 0.00 0.00 176.35 175.33 1fa4 s THR 22 N 2.56 3.93 0.40 3.68 2.01 -1.26 -0.06 115.64 126.90 1fa4 s THR 22 Ca 0.12 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 61.92 1fa4 s THR 22 Cb -0.15 -4.95 0.01 0.00 0.01 0.00 0.00 72.50 67.42 1fa4 s THR 22 CO -0.20 -1.83 0.55 0.27 -0.69 0.00 0.00 174.62 172.72 1fa4 s ILE 23 N 5.06 3.30 0.62 1.82 -4.36 -0.54 -4.89 121.20 122.20 1fa4 s ILE 23 Ca 0.38 -0.98 -0.04 0.00 -0.26 0.00 0.00 60.65 59.75 1fa4 s ILE 23 Cb -0.05 -3.12 0.04 0.00 1.25 0.00 0.00 42.46 40.57 1fa4 s ILE 23 CO 0.03 -0.05 0.90 -0.54 0.24 0.00 0.00 174.94 175.52 1fa4 s LYS 24 N -4.32 2.54 -1.17 0.37 1.02 -1.26 -3.84 119.74 113.07 1fa4 s LYS 24 Ca 0.52 -0.35 -0.21 0.00 0.02 0.00 0.00 55.97 55.96 1fa4 s LYS 24 Cb -0.10 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1fa4 s LYS 24 CO 0.33 -0.89 1.78 -1.25 -0.92 0.00 0.00 175.35 174.40 1fa4 s PRO 25 N -5.00 3.28 0.00 -1.68 0.04 -1.26 -2.73 135.00 127.65 1fa4 s PRO 25 Ca 0.57 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 60.21 1fa4 s PRO 25 Cb -0.11 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.07 1fa4 s PRO 25 CO 0.43 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.94 1fa4 n GLY 26 N 5.93 1.10 1.87 0.56 0.00 -1.13 -4.59 105.19 108.93 1fa4 n GLY 26 Ca 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.80 -4.25 1.61 9.92 -1.11 -4.39 116.55 115.54 1fa4 n ASP 27 Ca 0.00 -0.40 -0.29 0.00 -0.53 0.00 0.00 54.79 53.57 1fa4 n ASP 27 Cb 0.00 -0.53 -0.16 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 -1.55 1.84 -0.05 -3.53 2.01 -1.26 -2.68 115.64 110.41 1fa4 s THR 28 Ca 0.30 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.38 1fa4 s THR 28 Cb -0.05 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1fa4 s THR 28 CO 0.25 0.52 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.80 1fa4 s VAL 29 N -0.43 2.38 -0.16 3.82 1.01 -1.16 -2.17 120.40 123.69 1fa4 s VAL 29 Ca 0.06 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1fa4 s VAL 29 Cb -0.10 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1fa4 s VAL 29 CO 0.00 0.57 -0.13 -1.61 0.00 0.00 0.00 175.10 173.93 1fa4 s GLU 30 N -0.37 3.28 -0.32 2.72 2.02 0.63 -2.49 118.70 124.17 1fa4 s GLU 30 Ca 0.03 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1fa4 s GLU 30 Cb -0.12 -2.69 0.09 0.00 0.10 0.00 0.00 34.13 31.52 1fa4 s GLU 30 CO 0.02 0.03 0.05 -0.06 0.02 0.00 0.00 175.26 175.32 1fa4 s PHE 31 N 0.81 2.90 0.62 1.61 0.40 -1.26 0.12 117.98 123.18 1fa4 s PHE 31 Ca -0.05 -2.41 0.06 0.00 -0.60 0.00 0.00 56.93 53.93 1fa4 s PHE 31 Cb -0.15 -2.33 0.10 0.00 0.51 0.00 0.00 43.02 41.15 1fa4 s PHE 31 CO 0.00 -0.90 0.86 -0.51 0.70 0.00 0.00 175.22 175.37 1fa4 s LEU 32 N 1.21 3.07 0.36 -0.37 1.02 -1.26 -4.46 118.68 118.25 1fa4 s LEU 32 Ca 0.08 -0.67 0.04 0.00 0.02 0.00 0.00 54.13 53.60 1fa4 s LEU 32 Cb -0.18 -1.77 -0.01 0.00 0.02 0.00 0.00 46.19 44.24 1fa4 s LEU 32 CO -0.13 -1.52 0.53 0.54 0.02 0.00 0.00 176.35 175.78 1fa4 s ASN 33 N -4.69 5.98 0.00 2.29 4.22 -1.26 -4.13 114.94 117.35 1fa4 s ASN 33 Ca 0.63 0.04 0.00 0.00 -2.14 0.00 0.00 52.86 51.39 1fa4 s ASN 33 Cb -0.06 -1.44 0.00 0.00 1.28 0.00 0.00 41.25 41.03 1fa4 s ASN 33 CO 0.41 -0.48 0.00 -3.20 -2.04 0.00 0.00 177.10 171.79 1fa4 n ASN 34 N -1.77 0.00 -1.21 3.54 5.15 -1.26 -3.33 115.26 116.37 1fa4 n ASN 34 Ca -0.01 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.95 1fa4 n ASN 34 Cb 0.58 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.80 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 -0.61 0.00 -2.94 1.20 2.85 -1.26 -4.66 118.16 112.74 1fa4 n LYS 35 Ca 0.00 -1.43 -0.13 0.00 -1.05 0.00 0.00 58.31 55.70 1fa4 n LYS 35 Cb 0.00 0.26 0.03 0.00 -0.65 0.00 0.00 35.03 34.67 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 0.22 0.00 -1.73 0.58 0.31 -1.26 -5.13 118.33 111.32 1fa4 n VAL 36 Ca -0.12 -3.12 -0.30 0.00 -0.01 0.00 0.00 64.34 60.79 1fa4 n VAL 36 Cb 0.90 0.55 0.17 0.00 -0.91 0.00 0.00 33.84 34.54 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 -1.32 0.71 0.55 5.55 0.04 -1.26 -4.74 135.00 134.53 1fa4 s PRO 37 Ca 0.31 -0.14 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 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 -2.41 0.88 -1.25 0.04 0.00 0.00 177.00 174.20 1fa4 s PRO 38 N -5.66 3.29 0.01 0.56 0.04 -1.26 -5.11 135.00 126.88 1fa4 s PRO 38 Ca 0.69 0.22 0.09 0.00 0.04 0.00 0.00 61.00 62.04 1fa4 s PRO 38 Cb -0.08 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1fa4 s PRO 38 CO 0.53 -0.48 -0.26 -1.01 0.04 0.00 0.00 177.00 175.82 1fa4 s HIS 39 N -2.93 2.30 -0.07 0.56 3.76 -1.25 -4.73 115.29 112.92 1fa4 s HIS 39 Ca 0.51 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.01 1fa4 s HIS 39 Cb -0.11 -1.43 0.02 0.00 1.11 0.00 0.00 32.58 32.18 1fa4 s HIS 39 CO 0.47 0.04 -0.08 -0.80 -0.85 0.00 0.00 174.74 173.52 1fa4 s ASN 40 N -0.93 1.67 -0.15 1.40 0.02 -1.26 -3.65 114.94 112.04 1fa4 s ASN 40 Ca 0.11 -0.24 -0.09 0.00 -1.02 0.00 0.00 52.86 51.62 1fa4 s ASN 40 Cb -0.10 -0.71 -0.04 0.00 0.02 0.00 0.00 41.25 40.42 1fa4 s ASN 40 CO 0.01 -0.05 0.15 -0.69 0.02 0.00 0.00 177.10 176.54 1fa4 s VAL 41 N 1.11 5.44 0.31 1.60 1.01 -1.26 -3.45 120.40 125.17 1fa4 s VAL 41 Ca -0.07 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1fa4 s VAL 41 Cb -0.14 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1fa4 s VAL 41 CO -0.01 0.54 0.26 -0.69 0.00 0.00 0.00 175.10 175.20 1fa4 s VAL 42 N -0.43 0.00 -0.05 2.92 1.01 -1.15 -2.75 120.40 119.95 1fa4 s VAL 42 Ca 0.13 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.10 1fa4 s VAL 42 Cb -0.12 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1fa4 s VAL 42 CO 0.02 0.00 0.03 -0.36 0.00 0.00 0.00 175.10 174.79 1fa4 s PHE 43 N -3.54 0.39 0.00 5.22 0.40 -1.26 -2.97 117.98 116.22 1fa4 s PHE 43 Ca 0.41 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1fa4 s PHE 43 Cb 0.03 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 42.92 1fa4 s PHE 43 CO 0.26 -0.25 0.00 -3.47 0.70 0.00 0.00 175.22 172.45 1fa4 n ASP 44 N 5.12 -0.97 -0.97 1.36 2.03 -0.80 -4.92 116.55 117.41 1fa4 n ASP 44 Ca -0.07 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.24 1fa4 n ASP 44 Cb 0.50 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.89 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 -2.42 2.52 0.03 -1.67 0.00 -1.26 -4.85 120.51 112.87 1fa4 n ALA 45 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1fa4 n ALA 45 Cb 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.18 2.08 -2.55 0.00 0.00 -1.26 -4.72 120.51 114.23 1fa4 n ALA 46 Ca -0.04 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 1fa4 n ALA 46 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.26 1fa4 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1fa4 n LEU 47 N -1.02 5.90 -4.41 0.00 4.77 -1.26 -5.01 117.00 115.97 1fa4 n LEU 47 Ca 0.00 -5.33 -0.28 0.00 -0.03 0.00 0.00 56.01 50.37 1fa4 n LEU 47 Cb 0.01 -0.80 -0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1fa4 n LEU 47 CO 0.01 2.13 -0.54 0.54 -1.33 0.00 0.00 177.39 178.20 1fa4 s ASN 48 N -2.46 3.40 0.46 -1.43 2.20 -1.26 -4.49 114.94 111.36 1fa4 s ASN 48 Ca 0.47 -0.83 0.25 0.00 -0.94 0.00 0.00 52.86 51.81 1fa4 s ASN 48 Cb 0.32 -0.24 0.57 0.00 -2.00 0.00 0.00 41.25 39.89 1fa4 s ASN 48 CO -0.20 0.14 1.69 1.55 -2.94 0.00 0.00 177.10 177.34 1fa4 h PRO 49 N 3.40 0.00 0.00 3.55 0.13 -1.89 -3.27 132.00 133.93 1fa4 h PRO 49 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1fa4 h PRO 49 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1fa4 h PRO 49 CO 0.45 0.00 -0.67 0.00 -0.23 0.00 0.00 178.00 177.55 1fa4 n ALA 50 N -2.09 3.23 -3.98 -0.56 0.00 -1.26 -5.00 120.51 110.85 1fa4 n ALA 50 Ca 0.03 -2.98 -0.34 0.00 0.00 0.00 0.00 53.44 50.15 1fa4 n ALA 50 Cb 0.48 -0.48 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.59 -0.47 -4.38 0.00 2.85 -1.24 -4.92 118.16 109.42 1fa4 n LYS 51 Ca 0.15 -0.10 -0.19 0.00 -1.05 0.00 0.00 58.31 57.12 1fa4 n LYS 51 Cb 0.84 -1.58 -0.10 0.00 -0.65 0.00 0.00 35.03 33.54 1fa4 n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1fa4 s SER 52 N -3.94 1.75 0.00 -5.58 0.01 -1.26 -5.06 113.70 99.61 1fa4 s SER 52 Ca 0.33 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1fa4 s SER 52 Cb -0.19 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1fa4 s SER 52 CO 0.71 -0.75 0.52 0.00 0.41 0.00 0.00 173.24 174.13 1fa4 n ALA 53 N -0.60 1.68 0.23 1.44 0.00 -1.26 -4.89 120.51 117.12 1fa4 n ALA 53 Ca -0.01 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.24 1fa4 n ALA 53 Cb 0.66 -0.12 0.51 0.00 0.00 0.00 0.00 19.45 20.50 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 0.76 0.00 2.03 -2.00 -2.01 116.42 115.20 1fa4 h ASP 54 Ca 0.00 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.09 1fa4 h ASP 54 Cb 1.10 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.56 1fa4 h ASP 54 CO 0.00 0.17 -1.35 0.17 -1.03 0.00 0.00 179.24 177.20 1fa4 h LEU 55 N 0.00 0.00 0.01 0.15 8.10 -2.00 -3.35 115.31 118.22 1fa4 h LEU 55 Ca -0.00 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.76 1fa4 h LEU 55 Cb 0.69 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.89 1fa4 h LEU 55 CO 0.02 0.77 -1.05 0.00 -4.11 0.00 0.00 178.44 174.07 1fa4 h ALA 56 N 1.23 0.30 -0.32 0.17 0.00 -1.86 -1.91 119.26 116.87 1fa4 h ALA 56 Ca -0.17 -0.89 0.05 0.00 0.00 0.00 0.00 54.91 53.91 1fa4 h ALA 56 Cb 1.73 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1fa4 h ALA 56 CO 0.07 1.16 0.22 1.57 0.00 0.00 0.00 179.25 182.27 1fa4 h LYS 57 N 0.02 0.19 -0.00 0.00 2.10 -1.49 -1.70 116.57 115.68 1fa4 h LYS 57 Ca -0.04 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1fa4 h LYS 57 Cb 1.80 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.09 1fa4 h LYS 57 CO 0.15 0.12 -0.61 -1.13 -2.00 0.00 0.00 179.45 175.98 1fa4 n SER 58 N -4.48 1.03 0.08 7.07 3.41 -1.22 -4.39 113.62 115.12 1fa4 n SER 58 Ca 0.04 -1.02 -0.12 0.00 -0.26 0.00 0.00 58.87 57.51 1fa4 n SER 58 Cb 0.26 0.83 -0.13 0.00 -0.26 0.00 0.00 64.21 64.90 1fa4 n SER 58 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1fa4 h LEU 59 N 0.59 0.25 -9.63 1.04 5.85 -0.48 -3.45 115.31 109.48 1fa4 h LEU 59 Ca 0.00 -0.28 -0.51 0.00 0.84 0.00 0.00 57.88 57.93 1fa4 h LEU 59 Cb 0.43 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1fa4 h LEU 59 CO 0.00 1.22 0.39 -0.44 -0.34 0.00 0.00 178.44 179.27 1fa4 s SER 60 N -6.94 7.46 -0.48 1.25 0.01 -0.90 -4.91 113.70 109.19 1fa4 s SER 60 Ca -0.03 1.92 0.01 0.00 1.31 0.00 0.00 55.95 59.16 1fa4 s SER 60 Cb 0.08 -2.60 0.13 0.00 0.21 0.00 0.00 66.02 63.84 1fa4 s SER 60 CO 0.86 -0.07 0.24 -1.38 0.41 0.00 0.00 173.24 173.29 1fa4 s HIS 61 N -0.31 3.46 -0.64 2.43 -3.43 -1.11 -4.93 115.29 110.76 1fa4 s HIS 61 Ca 0.46 -2.90 0.11 0.00 -0.80 0.00 0.00 55.06 51.94 1fa4 s HIS 61 Cb -0.26 -3.00 0.59 0.00 -1.43 0.00 0.00 32.58 28.48 1fa4 s HIS 61 CO 0.32 -0.86 1.35 1.63 -2.00 0.00 0.00 174.74 175.18 1fa4 n LYS 62 N 3.75 0.07 -1.69 -0.38 5.02 -1.26 -4.29 118.16 119.37 1fa4 n LYS 62 Ca 0.04 0.54 -0.62 0.00 -2.02 0.00 0.00 58.31 56.25 1fa4 n LYS 62 Cb 0.38 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 1fa4 n LYS 62 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1fa4 n GLN 63 N -1.86 0.49 -1.90 1.97 7.27 -1.26 -4.79 117.38 117.31 1fa4 n GLN 63 Ca -0.00 0.18 -0.42 0.00 0.07 0.00 0.00 57.00 56.83 1fa4 n GLN 63 Cb 0.04 -1.75 -0.03 0.00 2.41 0.00 0.00 30.24 30.91 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 2.60 4.36 -0.88 1.69 2.01 -1.26 -4.82 118.68 122.39 1fa4 s LEU 64 Ca 0.99 2.43 -0.22 0.00 0.01 0.00 0.00 54.13 57.34 1fa4 s LEU 64 Cb -1.28 -3.54 0.07 0.00 0.01 0.00 0.00 46.19 41.45 1fa4 s LEU 64 CO 0.70 -0.94 1.24 -0.76 1.01 0.00 0.00 176.35 177.60 1fa4 s LEU 65 N 3.62 4.04 0.00 1.79 1.02 -1.24 -4.76 118.68 123.16 1fa4 s LEU 65 Ca 0.77 -1.35 0.23 0.00 0.02 0.00 0.00 54.13 53.81 1fa4 s LEU 65 Cb -0.38 -2.49 0.15 0.00 0.02 0.00 0.00 46.19 43.49 1fa4 s LEU 65 CO 0.33 -1.43 1.17 0.80 0.02 0.00 0.00 176.35 177.25 1fa4 n MET 66 N 8.10 0.73 -2.98 1.70 1.56 -1.26 -3.94 117.12 121.03 1fa4 n MET 66 Ca 0.18 -0.57 -0.40 0.00 -0.27 0.00 0.00 57.70 56.65 1fa4 n MET 66 Cb 0.49 -1.49 -0.06 0.00 2.15 0.00 0.00 33.22 34.31 1fa4 n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1fa4 s SER 67 N -2.66 7.34 -0.95 6.12 0.15 -1.26 -4.98 113.70 117.47 1fa4 s SER 67 Ca 0.17 1.59 -0.24 0.00 0.70 0.00 0.00 55.95 58.17 1fa4 s SER 67 Cb 0.18 -2.49 0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1fa4 s SER 67 CO 0.64 0.16 1.45 -2.16 1.20 0.00 0.00 173.24 174.53 1fa4 s PRO 68 N -0.86 3.43 0.00 5.44 0.04 -1.26 -3.39 135.00 138.40 1fa4 s PRO 68 Ca 0.36 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.55 1fa4 s PRO 68 Cb -0.22 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1fa4 s PRO 68 CO 0.25 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1fa4 n GLY 69 N 6.54 1.04 2.51 0.56 0.00 -1.21 -4.97 105.19 109.65 1fa4 n GLY 69 Ca 0.27 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1fa4 n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fa4 s GLN 70 N -1.51 0.71 0.00 1.61 0.74 -1.22 -4.83 119.66 115.16 1fa4 s GLN 70 Ca 0.00 -1.49 0.00 0.00 0.05 0.00 0.00 55.36 53.92 1fa4 s GLN 70 Cb 0.00 -1.51 0.00 0.00 1.10 0.00 0.00 33.01 32.60 1fa4 s GLN 70 CO 0.00 -1.20 0.00 -1.13 -0.55 0.00 0.00 175.29 172.41 1fa4 n SER 71 N 3.91 0.57 -4.50 6.67 3.41 -1.26 -4.50 113.62 117.92 1fa4 n SER 71 Ca 0.12 -0.79 -0.36 0.00 -0.26 0.00 0.00 58.87 57.58 1fa4 n SER 71 Cb 0.37 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.70 4.42 -0.48 6.66 -1.32 -1.26 -4.99 115.64 119.37 1fa4 s THR 72 Ca 0.00 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.05 1fa4 s THR 72 Cb 0.00 -3.04 0.02 0.00 -1.51 0.00 0.00 72.50 67.97 1fa4 s THR 72 CO 0.00 0.38 1.22 -0.94 -2.21 0.00 0.00 174.62 173.07 1fa4 s SER 73 N 1.24 6.52 -0.53 8.08 1.04 -1.26 -4.51 113.70 124.27 1fa4 s SER 73 Ca 0.05 0.49 -0.28 0.00 0.48 0.00 0.00 55.95 56.68 1fa4 s SER 73 Cb -0.14 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.45 1fa4 s SER 73 CO 0.03 -1.35 1.26 -0.89 0.98 0.00 0.00 173.24 173.28 1fa4 s THR 74 N 4.83 3.99 -0.91 2.02 2.01 -1.04 -4.89 115.64 121.64 1fa4 s THR 74 Ca 0.51 0.92 -0.24 0.00 0.31 0.00 0.00 61.69 63.18 1fa4 s THR 74 Cb -0.09 -4.56 0.04 0.00 0.01 0.00 0.00 72.50 67.90 1fa4 s THR 74 CO 0.31 -1.15 1.41 -0.89 -0.69 0.00 0.00 174.62 173.61 1fa4 s THR 75 N 5.17 3.83 0.84 -0.82 2.01 -1.26 -2.99 115.64 122.42 1fa4 s THR 75 Ca 0.49 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 1fa4 s THR 75 Cb -0.09 -4.96 -0.10 0.00 0.01 0.00 0.00 72.50 67.36 1fa4 s THR 75 CO 0.28 -1.87 -0.22 0.49 -0.69 0.00 0.00 174.62 172.61 1fa4 n PHE 76 N 9.26 -3.32 -1.67 4.92 3.01 -1.09 -4.93 117.46 123.64 1fa4 n PHE 76 Ca 0.23 0.18 -0.29 0.00 1.01 0.00 0.00 57.45 58.58 1fa4 n PHE 76 Cb 0.50 -1.63 0.10 0.00 -0.01 0.00 0.00 39.48 38.44 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 -2.20 1.76 0.00 -1.08 0.04 -1.26 -4.59 135.00 127.67 1fa4 s PRO 77 Ca 0.51 0.34 0.09 0.00 0.04 0.00 0.00 61.00 61.98 1fa4 s PRO 77 Cb -0.28 -1.91 0.39 0.00 0.04 0.00 0.00 34.50 32.74 1fa4 s PRO 77 CO 0.72 -1.78 1.27 0.00 0.04 0.00 0.00 177.00 177.26 1fa4 n ALA 78 N -3.49 2.51 1.01 8.56 0.00 -1.26 -2.85 120.51 124.99 1fa4 n ALA 78 Ca 0.07 -0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1fa4 n ALA 78 Cb 0.59 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1fa4 n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1fa4 n ASP 79 N -0.19 1.31 -3.74 0.00 8.00 -1.26 -4.83 116.55 115.84 1fa4 n ASP 79 Ca 0.08 -1.12 -0.31 0.00 0.71 0.00 0.00 54.79 54.15 1fa4 n ASP 79 Cb 0.13 0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 41.83 1fa4 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fa4 n ALA 80 N -0.97 0.37 -1.73 2.24 0.00 -1.17 -4.83 120.51 114.42 1fa4 n ALA 80 Ca 0.06 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 1fa4 n ALA 80 Cb 0.38 -1.91 -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 -1.25 0.00 0.00 0.00 177.50 176.25 1fa4 s PRO 81 N 7.16 3.52 -0.32 0.00 0.04 -1.26 -4.58 135.00 139.56 1fa4 s PRO 81 Ca 1.12 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 1fa4 s PRO 81 Cb -0.98 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 1fa4 s PRO 81 CO 0.42 -0.63 2.01 0.00 0.04 0.00 0.00 177.00 178.84 1fa4 s ALA 82 N -2.61 2.65 0.01 8.56 0.00 -1.25 -4.76 121.76 124.35 1fa4 s ALA 82 Ca 0.61 0.36 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 1fa4 s ALA 82 Cb -0.13 -4.09 0.07 0.00 0.00 0.00 0.00 23.12 18.96 1fa4 s ALA 82 CO 0.38 -2.95 0.89 0.41 0.00 0.00 0.00 175.76 174.49 1fa4 n GLY 83 N 5.62 0.41 3.68 0.00 0.00 -0.94 -4.86 105.19 109.10 1fa4 n GLY 83 Ca 0.26 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.01 2.83 0.35 1.61 1.03 -1.26 -3.22 118.70 118.02 1fa4 s GLU 84 Ca 0.21 -0.57 0.09 0.00 0.03 0.00 0.00 54.97 54.73 1fa4 s GLU 84 Cb -0.01 -2.69 -0.06 0.00 -0.80 0.00 0.00 34.13 30.57 1fa4 s GLU 84 CO 0.00 0.64 -0.05 0.71 -1.33 0.00 0.00 175.26 175.23 1fa4 s TYR 85 N -1.05 2.45 -0.22 4.83 1.51 -0.63 -4.54 117.35 119.71 1fa4 s TYR 85 Ca 0.18 -0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1fa4 s TYR 85 Cb -0.11 -1.45 0.10 0.00 -0.11 0.00 0.00 41.96 40.38 1fa4 s TYR 85 CO 0.09 0.54 0.25 0.99 -1.11 0.00 0.00 175.55 176.30 1fa4 s THR 86 N -2.59 -0.36 0.25 -0.71 2.01 -1.26 -3.02 115.64 109.96 1fa4 s THR 86 Ca 0.33 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.26 1fa4 s THR 86 Cb 0.02 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1fa4 s THR 86 CO 0.17 -0.22 0.19 0.72 -0.69 0.00 0.00 174.62 174.79 1fa4 s PHE 87 N 2.36 3.08 0.00 4.92 -0.71 -0.95 -1.89 117.98 124.79 1fa4 s PHE 87 Ca 0.08 -0.12 0.00 0.00 -1.04 0.00 0.00 56.93 55.85 1fa4 s PHE 87 Cb -0.16 -1.40 0.00 0.00 -1.21 0.00 0.00 43.02 40.26 1fa4 s PHE 87 CO -0.14 0.52 0.00 2.48 -1.34 0.00 0.00 175.22 176.74 1fa4 n TYR 88 N -1.17 -0.25 -5.19 3.49 4.11 -1.16 -1.36 117.16 115.63 1fa4 n TYR 88 Ca -0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.52 1fa4 n TYR 88 Cb 0.58 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.76 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 5.36 0.31 0.01 0.00 4.81 -1.95 -2.88 114.58 120.25 1fa4 h GLU 90 Ca -0.43 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.48 1fa4 h GLU 90 Cb 1.13 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1fa4 h GLU 90 CO 0.46 1.01 -0.00 -1.00 -0.73 0.00 0.00 179.01 178.75 1fa4 h PRO 91 N -0.27 -0.01 -1.67 0.92 0.13 -1.88 -3.31 132.00 125.90 1fa4 h PRO 91 Ca -0.05 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.68 1fa4 h PRO 91 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1fa4 h PRO 91 CO 0.09 0.81 0.42 0.72 -0.23 0.00 0.00 178.00 179.80 1fa4 n HIS 92 N -4.67 1.61 0.40 1.56 8.25 -1.26 -4.60 115.22 116.51 1fa4 n HIS 92 Ca -0.09 -2.00 -0.19 0.00 -0.26 0.00 0.00 57.72 55.19 1fa4 n HIS 92 Cb 0.40 -1.13 -0.09 0.00 1.12 0.00 0.00 29.99 30.28 1fa4 n HIS 92 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1fa4 h ARG 93 N 2.04 -0.99 -2.00 -0.41 2.43 -1.60 -2.71 114.38 111.14 1fa4 h ARG 93 Ca 0.34 0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 59.35 1fa4 h ARG 93 Cb 0.85 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 30.54 1fa4 h ARG 93 CO 0.83 -0.66 -0.29 0.41 -1.51 0.00 0.00 179.97 178.75 1fa4 n GLY 94 N -1.54 3.15 2.54 2.80 0.00 -1.26 -4.03 105.19 106.85 1fa4 n GLY 94 Ca -0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 2.29 2.69 -2.54 4.61 0.00 -1.02 -4.95 120.51 121.59 1fa4 n ALA 95 Ca 0.43 -2.75 -0.09 0.00 0.00 0.00 0.00 53.44 51.03 1fa4 n ALA 95 Cb 0.87 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.43 -0.50 2.84 0.00 0.00 -1.26 -4.34 105.19 101.51 1fa4 n GLY 96 Ca 0.09 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.78 4.00 -3.71 1.61 2.00 -1.25 -4.53 117.12 112.45 1fa4 n MET 97 Ca -0.09 -3.79 -0.26 0.00 0.00 0.00 0.00 57.70 53.56 1fa4 n MET 97 Cb 0.57 -2.78 -0.17 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 -0.70 0.34 0.09 2.03 1.01 -1.26 -2.78 120.40 119.12 1fa4 s VAL 98 Ca 0.39 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1fa4 s VAL 98 Cb 0.10 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1fa4 s VAL 98 CO 0.01 -0.13 0.07 0.61 0.00 0.00 0.00 175.10 175.66 1fa4 n GLY 99 N 5.13 2.90 3.59 4.51 0.00 -0.47 -4.89 105.19 115.96 1fa4 n GLY 99 Ca -0.08 -2.19 -0.02 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.36 0.55 0.25 1.61 1.02 -1.17 -2.23 119.74 117.41 1fa4 s LYS 100 Ca 0.05 1.40 -0.24 0.00 0.02 0.00 0.00 55.97 57.20 1fa4 s LYS 100 Cb -0.00 0.80 -0.09 0.00 -0.52 0.00 0.00 37.83 38.02 1fa4 s LYS 100 CO 0.03 -0.22 0.83 0.42 -0.92 0.00 0.00 175.35 175.49 1fa4 s ILE 101 N 2.87 4.37 -0.42 2.17 1.01 -1.17 -2.76 121.20 127.27 1fa4 s ILE 101 Ca -0.05 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.25 1fa4 s ILE 101 Cb -0.12 -4.00 0.11 0.00 0.01 0.00 0.00 42.46 38.47 1fa4 s ILE 101 CO -0.18 0.26 0.15 -0.89 0.00 0.00 0.00 174.94 174.27 1fa4 s THR 102 N -1.47 2.47 -0.18 2.92 2.01 0.92 -1.60 115.64 120.71 1fa4 s THR 102 Ca 0.44 -2.73 -0.10 0.00 0.31 0.00 0.00 61.69 59.62 1fa4 s THR 102 Cb -0.19 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1fa4 s THR 102 CO 0.24 -0.69 0.14 -0.69 -0.69 0.00 0.00 174.62 172.93 1fa4 s VAL 103 N 0.43 5.42 0.37 3.82 1.01 -1.20 -1.47 120.40 128.79 1fa4 s VAL 103 Ca 0.13 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1fa4 s VAL 103 Cb -0.22 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.78 1fa4 s VAL 103 CO -0.05 0.47 0.51 0.00 0.00 0.00 0.00 175.10 176.03 1fa4 n ALA 104 N 3.24 -0.06 -0.80 5.51 0.00 -1.25 -2.21 120.51 124.94 1fa4 n ALA 104 Ca -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1fa4 n ALA 104 Cb 0.53 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1fa4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91