#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 2.59 -0.49 2.62 2.01 -1.26 -4.03 115.64 117.08 1fa4 s THR 2 Ca 0.00 -1.97 -0.26 0.00 0.31 0.00 0.00 61.69 59.77 1fa4 s THR 2 Cb 0.00 -2.72 0.03 0.00 0.01 0.00 0.00 72.50 69.82 1fa4 s THR 2 CO 0.00 -0.41 0.97 -0.31 -0.69 0.00 0.00 174.62 174.18 1fa4 s TYR 3 N 1.05 2.86 0.09 4.92 2.02 -1.19 -4.95 117.35 122.16 1fa4 s TYR 3 Ca 0.03 0.34 0.05 0.00 -0.37 0.00 0.00 57.07 57.13 1fa4 s TYR 3 Cb -0.20 -4.09 -0.04 0.00 -0.40 0.00 0.00 41.96 37.23 1fa4 s TYR 3 CO -0.05 -1.21 -0.02 0.99 -1.57 0.00 0.00 175.55 173.69 1fa4 s THR 4 N 3.97 3.89 0.28 -0.71 2.01 -1.26 -3.28 115.64 120.54 1fa4 s THR 4 Ca 0.37 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 61.42 1fa4 s THR 4 Cb -0.10 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1fa4 s THR 4 CO 0.26 0.11 0.00 -0.69 -0.69 0.00 0.00 174.62 173.61 1fa4 s VAL 5 N -1.30 3.30 -0.32 3.82 1.01 -1.23 -4.97 120.40 120.71 1fa4 s VAL 5 Ca 0.25 -1.92 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1fa4 s VAL 5 Cb -0.12 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.53 1fa4 s VAL 5 CO 0.17 -0.35 0.06 -0.54 0.00 0.00 0.00 175.10 174.45 1fa4 s LYS 6 N -3.69 1.16 0.65 2.72 1.02 -1.25 -4.40 119.74 115.95 1fa4 s LYS 6 Ca 0.32 -1.44 -0.03 0.00 0.02 0.00 0.00 55.97 54.85 1fa4 s LYS 6 Cb -0.05 -2.62 0.06 0.00 -0.52 0.00 0.00 37.83 34.70 1fa4 s LYS 6 CO 0.20 -0.92 0.92 -0.48 -0.92 0.00 0.00 175.35 174.15 1fa4 s LEU 7 N 1.26 3.02 0.00 3.17 2.34 -1.26 -3.80 118.68 123.41 1fa4 s LEU 7 Ca 0.09 0.17 0.00 0.00 0.06 0.00 0.00 54.13 54.45 1fa4 s LEU 7 Cb -0.18 -2.87 0.00 0.00 -0.56 0.00 0.00 46.19 42.58 1fa4 s LEU 7 CO -0.15 -1.47 0.00 0.61 -1.06 0.00 0.00 176.35 174.28 1fa4 n GLY 8 N -2.70 -0.16 0.19 -3.48 0.00 -1.26 -4.31 105.19 93.48 1fa4 n GLY 8 Ca 0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.85 0.00 1.61 4.64 0.23 -3.46 113.55 115.72 1fa4 h SER 9 Ca 0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1fa4 h SER 9 Cb 0.18 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1fa4 h SER 9 CO 0.00 -0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 174.90 1fa4 n ASP 10 N -3.90 0.00 -2.59 4.97 5.68 -1.24 -5.01 116.55 114.46 1fa4 n ASP 10 Ca -0.01 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.97 1fa4 n ASP 10 Cb 0.14 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.00 3.22 0.00 0.11 4.81 -1.26 -4.88 118.16 120.16 1fa4 n LYS 11 Ca 0.00 -4.19 0.00 0.00 -0.87 0.00 0.00 58.31 53.25 1fa4 n LYS 11 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.79 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 -0.51 2.05 3.65 3.14 0.00 -1.26 -4.97 105.19 107.29 1fa4 n GLY 12 Ca 0.44 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1fa4 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fa4 s LEU 13 N 0.00 4.19 -0.28 0.99 1.02 -1.26 -4.85 118.68 118.48 1fa4 s LEU 13 Ca 0.00 1.96 -0.01 0.00 0.02 0.00 0.00 54.13 56.11 1fa4 s LEU 13 Cb 0.00 -3.53 0.05 0.00 0.02 0.00 0.00 46.19 42.72 1fa4 s LEU 13 CO 0.00 -0.96 -0.04 -0.76 0.02 0.00 0.00 176.35 174.61 1fa4 s LEU 14 N 4.17 3.66 -0.04 1.79 1.02 -1.26 0.21 118.68 128.23 1fa4 s LEU 14 Ca 0.68 -1.24 0.03 0.00 0.02 0.00 0.00 54.13 53.62 1fa4 s LEU 14 Cb -0.29 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.27 1fa4 s LEU 14 CO 0.26 -0.22 -0.12 0.68 0.02 0.00 0.00 176.35 176.97 1fa4 s VAL 15 N 1.22 1.04 0.72 -1.59 -7.23 -1.26 -4.46 120.40 108.84 1fa4 s VAL 15 Ca -0.05 -0.47 -0.16 0.00 -1.81 0.00 0.00 61.98 59.48 1fa4 s VAL 15 Cb -0.19 -0.93 -0.06 0.00 0.56 0.00 0.00 36.38 35.76 1fa4 s VAL 15 CO -0.03 0.32 0.38 0.49 -0.31 0.00 0.00 175.10 175.95 1fa4 n PHE 16 N 3.48 -1.29 -3.54 2.82 3.01 -1.26 -4.23 117.46 116.45 1fa4 n PHE 16 Ca -0.20 0.34 -0.22 0.00 1.01 0.00 0.00 57.45 58.38 1fa4 n PHE 16 Cb 0.53 -1.86 -0.14 0.00 -0.01 0.00 0.00 39.48 37.99 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 -2.53 0.15 1.06 -1.08 2.02 -1.25 -3.54 118.70 113.53 1fa4 s GLU 17 Ca 0.63 0.04 -0.18 0.00 0.02 0.00 0.00 54.97 55.48 1fa4 s GLU 17 Cb -0.35 -1.42 0.25 0.00 0.10 0.00 0.00 34.13 32.70 1fa4 s GLU 17 CO 0.60 -0.70 1.29 -1.25 0.02 0.00 0.00 175.26 175.22 1fa4 s PRO 18 N 2.24 -0.15 0.08 0.39 0.04 -1.26 -3.90 135.00 132.44 1fa4 s PRO 18 Ca 0.05 -0.42 -0.17 0.00 0.04 0.00 0.00 61.00 60.50 1fa4 s PRO 18 Cb -0.16 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1fa4 s PRO 18 CO -0.13 -2.94 1.39 0.00 0.04 0.00 0.00 177.00 175.36 1fa4 h ALA 19 N -2.02 0.34 -3.26 8.56 0.00 -1.93 -3.43 119.26 117.52 1fa4 h ALA 19 Ca -0.44 -0.37 -0.68 0.00 0.00 0.00 0.00 54.91 53.43 1fa4 h ALA 19 Cb 1.23 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1fa4 h ALA 19 CO 0.32 0.30 -0.61 -1.59 0.00 0.00 0.00 179.25 177.66 1fa4 s LYS 20 N -4.36 3.05 -0.09 0.00 -2.85 -1.26 -2.11 119.74 112.12 1fa4 s LYS 20 Ca -0.13 -0.38 0.02 0.00 -1.00 0.00 0.00 55.97 54.47 1fa4 s LYS 20 Cb 0.07 -2.84 0.01 0.00 -2.06 0.00 0.00 37.83 33.02 1fa4 s LYS 20 CO 0.80 0.69 -0.14 -0.51 0.10 0.00 0.00 175.35 176.29 1fa4 s LEU 21 N -0.85 1.65 -0.71 2.77 1.43 -0.15 -4.94 118.68 117.88 1fa4 s LEU 21 Ca 0.13 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 1fa4 s LEU 21 Cb -0.11 -0.98 0.09 0.00 0.03 0.00 0.00 46.19 45.21 1fa4 s LEU 21 CO 0.02 0.01 0.97 -0.89 0.23 0.00 0.00 176.35 176.69 1fa4 s THR 22 N 0.92 4.47 0.48 5.49 2.01 -1.26 0.14 115.64 127.90 1fa4 s THR 22 Ca -0.09 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.28 1fa4 s THR 22 Cb -0.15 -4.68 0.04 0.00 0.01 0.00 0.00 72.50 67.71 1fa4 s THR 22 CO 0.00 -1.43 0.66 0.27 -0.69 0.00 0.00 174.62 173.43 1fa4 s ILE 23 N 3.59 2.72 0.79 1.82 -4.36 -0.92 -4.88 121.20 119.96 1fa4 s ILE 23 Ca 0.23 -0.97 -0.07 0.00 -0.26 0.00 0.00 60.65 59.58 1fa4 s ILE 23 Cb -0.15 -2.76 0.13 0.00 1.25 0.00 0.00 42.46 40.93 1fa4 s ILE 23 CO 0.05 0.00 1.10 -0.54 0.24 0.00 0.00 174.94 175.79 1fa4 s LYS 24 N -4.49 1.50 -1.30 0.37 3.01 -1.26 -4.06 119.74 113.51 1fa4 s LYS 24 Ca 0.57 -0.65 -0.17 0.00 -1.01 0.00 0.00 55.97 54.72 1fa4 s LYS 24 Cb -0.09 -2.13 0.01 0.00 -1.01 0.00 0.00 37.83 34.61 1fa4 s LYS 24 CO 0.35 -1.69 2.06 -0.35 0.51 0.00 0.00 175.35 176.23 1fa4 n PRO 25 N -3.15 2.66 0.00 -1.68 -0.04 -1.26 -3.38 135.00 128.15 1fa4 n PRO 25 Ca 0.13 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 1fa4 n PRO 25 Cb 0.60 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 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 4.56 1.02 2.46 0.55 0.00 -1.15 -4.46 105.19 108.16 1fa4 n GLY 26 Ca 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.17 1.61 9.92 -1.22 -4.14 116.55 115.75 1fa4 n ASP 27 Ca 0.00 -0.38 -0.34 0.00 -0.53 0.00 0.00 54.79 53.54 1fa4 n ASP 27 Cb 0.00 -0.63 -0.15 0.00 -0.64 0.00 0.00 41.12 39.70 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 -1.78 2.50 -0.39 -3.53 2.01 -1.26 -2.39 115.64 110.79 1fa4 s THR 28 Ca 0.29 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 1fa4 s THR 28 Cb -0.05 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1fa4 s THR 28 CO 0.25 0.41 0.29 -0.69 -0.69 0.00 0.00 174.62 174.19 1fa4 s VAL 29 N 1.32 5.26 -0.25 3.82 1.01 -1.17 -3.14 120.40 127.25 1fa4 s VAL 29 Ca 0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1fa4 s VAL 29 Cb -0.14 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1fa4 s VAL 29 CO -0.09 -0.23 0.20 -1.61 0.00 0.00 0.00 175.10 173.37 1fa4 s GLU 30 N 1.72 4.04 0.14 2.72 2.02 -1.21 -2.83 118.70 125.30 1fa4 s GLU 30 Ca 0.06 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 54.85 1fa4 s GLU 30 Cb -0.18 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 1fa4 s GLU 30 CO 0.10 -0.04 0.10 -0.06 0.02 0.00 0.00 175.26 175.38 1fa4 s PHE 31 N 1.35 3.12 0.31 1.61 0.40 -1.26 -3.51 117.98 120.00 1fa4 s PHE 31 Ca 0.08 -0.00 0.05 0.00 -0.60 0.00 0.00 56.93 56.47 1fa4 s PHE 31 Cb -0.14 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1fa4 s PHE 31 CO 0.07 0.52 0.27 -0.48 0.70 0.00 0.00 175.22 176.30 1fa4 s LEU 32 N -2.84 1.61 0.41 -0.37 2.34 -1.26 0.85 118.68 119.43 1fa4 s LEU 32 Ca 0.30 -1.69 0.08 0.00 0.06 0.00 0.00 54.13 52.88 1fa4 s LEU 32 Cb -0.11 0.59 -0.03 0.00 -0.56 0.00 0.00 46.19 46.08 1fa4 s LEU 32 CO 0.22 -1.04 0.30 0.54 -1.06 0.00 0.00 176.35 175.31 1fa4 s ASN 33 N -3.33 4.83 0.00 1.48 4.22 -1.26 -4.58 114.94 116.30 1fa4 s ASN 33 Ca 0.40 -0.85 0.00 0.00 -2.14 0.00 0.00 52.86 50.26 1fa4 s ASN 33 Cb 0.03 -0.56 0.00 0.00 1.28 0.00 0.00 41.25 42.00 1fa4 s ASN 33 CO 0.25 -0.59 0.00 -3.20 -2.04 0.00 0.00 177.10 171.52 1fa4 n ASN 34 N -1.42 0.00 -0.85 3.54 5.15 -1.26 -3.04 115.26 117.39 1fa4 n ASN 34 Ca 0.02 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.95 1fa4 n ASN 34 Cb 0.63 -0.11 -0.05 0.00 -0.53 0.00 0.00 39.78 39.71 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 -2.01 0.00 -2.96 1.20 4.81 -1.26 -4.63 118.16 113.31 1fa4 n LYS 35 Ca 0.00 -0.72 -0.14 0.00 -0.87 0.00 0.00 58.31 56.59 1fa4 n LYS 35 Cb 0.00 0.42 0.02 0.00 0.02 0.00 0.00 35.03 35.49 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 0.00 -0.01 -1.76 3.15 0.31 -1.26 -5.03 118.33 113.74 1fa4 n VAL 36 Ca -0.20 -3.22 -0.29 0.00 -0.01 0.00 0.00 64.34 60.62 1fa4 n VAL 36 Cb 0.60 0.50 0.16 0.00 -0.91 0.00 0.00 33.84 34.19 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 -1.40 0.81 0.46 5.55 0.04 -1.26 -4.72 135.00 134.47 1fa4 s PRO 37 Ca 0.32 -0.13 -0.07 0.00 0.04 0.00 0.00 61.00 61.16 1fa4 s PRO 37 Cb 0.34 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 33.00 1fa4 s PRO 37 CO -0.06 -2.35 0.78 -1.25 0.04 0.00 0.00 177.00 174.17 1fa4 s PRO 38 N -5.66 3.61 -0.17 0.56 0.04 -1.26 -5.11 135.00 127.01 1fa4 s PRO 38 Ca 0.69 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.00 1fa4 s PRO 38 Cb -0.08 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1fa4 s PRO 38 CO 0.52 -0.16 -0.10 -1.01 0.04 0.00 0.00 177.00 176.29 1fa4 s HIS 39 N -2.64 2.87 -0.25 0.56 3.76 -1.26 -4.69 115.29 113.64 1fa4 s HIS 39 Ca 0.48 -0.84 -0.11 0.00 -0.15 0.00 0.00 55.06 54.45 1fa4 s HIS 39 Cb -0.10 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.59 1fa4 s HIS 39 CO 0.41 -0.39 0.17 -0.80 -0.85 0.00 0.00 174.74 173.29 1fa4 s ASN 40 N 0.85 6.10 -0.36 1.40 -0.87 -1.26 -4.01 114.94 116.80 1fa4 s ASN 40 Ca -0.03 0.10 -0.08 0.00 -1.57 0.00 0.00 52.86 51.27 1fa4 s ASN 40 Cb -0.15 -2.11 0.04 0.00 -0.02 0.00 0.00 41.25 39.01 1fa4 s ASN 40 CO 0.00 0.04 0.15 -0.69 -2.57 0.00 0.00 177.10 174.03 1fa4 s VAL 41 N 1.21 4.06 0.21 1.60 1.01 -1.26 -3.60 120.40 123.64 1fa4 s VAL 41 Ca 0.08 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1fa4 s VAL 41 Cb -0.14 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1fa4 s VAL 41 CO 0.06 -0.23 0.05 -0.69 0.00 0.00 0.00 175.10 174.29 1fa4 s VAL 42 N 1.45 0.61 -0.30 2.92 1.01 -1.23 -3.19 120.40 121.67 1fa4 s VAL 42 Ca -0.00 -1.99 0.02 0.00 0.00 0.00 0.00 61.98 60.01 1fa4 s VAL 42 Cb -0.20 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.89 1fa4 s VAL 42 CO 0.04 -0.24 -0.03 -0.36 0.00 0.00 0.00 175.10 174.50 1fa4 s PHE 43 N -3.71 3.43 -0.25 5.22 0.40 -1.26 -2.57 117.98 119.24 1fa4 s PHE 43 Ca 0.31 -2.47 -0.38 0.00 -0.60 0.00 0.00 56.93 53.78 1fa4 s PHE 43 Cb 0.07 -2.32 -0.14 0.00 0.51 0.00 0.00 43.02 41.14 1fa4 s PHE 43 CO 0.09 -0.90 1.84 -3.47 0.70 0.00 0.00 175.22 173.48 1fa4 n ASP 44 N 4.41 2.59 -0.07 1.36 -0.08 -0.53 -4.79 116.55 119.45 1fa4 n ASP 44 Ca -0.08 0.96 0.13 0.00 -1.51 0.00 0.00 54.79 54.29 1fa4 n ASP 44 Cb 0.42 -1.21 0.70 0.00 2.34 0.00 0.00 41.12 43.38 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 6.28 2.63 0.44 -1.67 0.00 -1.26 -3.14 120.51 123.80 1fa4 n ALA 45 Ca 0.28 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1fa4 n ALA 45 Cb 0.18 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.73 3.60 -2.90 0.00 0.00 -1.26 -4.33 120.51 114.89 1fa4 n ALA 46 Ca 0.19 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 1fa4 n ALA 46 Cb 0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.82 5.29 -4.24 0.00 4.77 -1.19 -5.02 117.00 114.80 1fa4 n LEU 47 Ca -0.00 -5.57 -0.13 0.00 -0.03 0.00 0.00 56.01 50.27 1fa4 n LEU 47 Cb 0.40 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1fa4 n LEU 47 CO 0.40 2.23 -0.35 0.54 -1.33 0.00 0.00 177.39 178.88 1fa4 s ASN 48 N -2.77 1.36 0.32 -1.43 2.20 -1.26 -4.39 114.94 108.97 1fa4 s ASN 48 Ca 0.45 -1.13 0.26 0.00 -0.94 0.00 0.00 52.86 51.50 1fa4 s ASN 48 Cb 0.24 0.08 0.77 0.00 -2.00 0.00 0.00 41.25 40.34 1fa4 s ASN 48 CO -0.12 -0.51 1.74 1.55 -2.94 0.00 0.00 177.10 176.82 1fa4 h PRO 49 N 2.73 0.00 -2.40 3.55 0.13 -1.95 -3.36 132.00 130.71 1fa4 h PRO 49 Ca -0.37 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.17 1fa4 h PRO 49 Cb 1.20 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 1fa4 h PRO 49 CO 0.63 0.00 -0.91 0.00 -0.23 0.00 0.00 178.00 177.50 1fa4 n ALA 50 N -1.91 2.96 -1.19 -0.56 0.00 -1.26 -5.06 120.51 113.49 1fa4 n ALA 50 Ca 0.04 -3.54 -0.26 0.00 0.00 0.00 0.00 53.44 49.68 1fa4 n ALA 50 Cb 0.41 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 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 2.22 0.00 -3.01 0.00 0.00 -1.26 -4.79 118.16 111.32 1fa4 n LYS 51 Ca 0.26 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.48 1fa4 n LYS 51 Cb 0.46 -1.01 -0.03 0.00 -0.00 0.00 0.00 35.03 34.45 1fa4 n LYS 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1fa4 n SER 52 N 6.52 -0.34 -0.70 -5.58 7.64 -1.26 -5.08 113.62 114.82 1fa4 n SER 52 Ca 0.53 -2.00 -0.03 0.00 1.01 0.00 0.00 58.87 58.38 1fa4 n SER 52 Cb 0.06 0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 64.03 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 -1.94 2.69 -0.03 -0.43 0.00 -1.26 -4.76 120.51 114.78 1fa4 n ALA 53 Ca -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 1fa4 n ALA 53 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 1fa4 n ALA 53 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1fa4 h ASP 54 N 0.00 0.00 0.36 0.00 1.82 -1.98 -3.27 116.42 113.35 1fa4 h ASP 54 Ca -0.22 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.39 1fa4 h ASP 54 Cb 1.16 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.17 1fa4 h ASP 54 CO -0.11 0.29 -0.13 0.17 -1.61 0.00 0.00 179.24 177.85 1fa4 h LEU 55 N -0.40 0.00 0.63 2.28 8.10 -1.96 -3.04 115.31 120.92 1fa4 h LEU 55 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1fa4 h LEU 55 Cb 0.18 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.41 1fa4 h LEU 55 CO 0.00 0.13 -0.30 0.00 -4.11 0.00 0.00 178.44 174.16 1fa4 h ALA 56 N 1.87 -0.84 -1.38 0.17 0.00 -1.92 -0.16 119.26 117.00 1fa4 h ALA 56 Ca -0.00 -0.21 0.40 0.00 0.00 0.00 0.00 54.91 55.11 1fa4 h ALA 56 Cb 0.34 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1fa4 h ALA 56 CO 0.02 -0.85 0.97 0.87 0.00 0.00 0.00 179.25 180.26 1fa4 h LYS 57 N -1.09 0.06 -0.64 0.00 1.79 -1.58 2.08 116.57 117.18 1fa4 h LYS 57 Ca -0.09 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1fa4 h LYS 57 Cb 0.69 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1fa4 h LYS 57 CO 0.14 0.04 0.00 -1.13 -1.08 0.00 0.00 179.45 177.42 1fa4 n SER 58 N -4.24 4.35 -0.08 0.86 3.41 -0.99 -4.36 113.62 112.57 1fa4 n SER 58 Ca 0.32 -2.29 -0.13 0.00 -0.26 0.00 0.00 58.87 56.51 1fa4 n SER 58 Cb 1.42 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 64.78 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 1.20 2.54 -4.86 1.04 -0.00 0.70 -4.91 117.00 112.70 1fa4 n LEU 59 Ca 0.24 -0.01 -0.29 0.00 -0.00 0.00 0.00 56.01 55.94 1fa4 n LEU 59 Cb 0.77 -0.53 0.16 0.00 -0.00 0.00 0.00 43.42 43.82 1fa4 n LEU 59 CO 0.20 0.66 0.80 -0.44 -0.00 0.00 0.00 177.39 178.61 1fa4 s SER 60 N -5.76 3.31 0.41 1.96 0.01 -0.76 -4.70 113.70 108.18 1fa4 s SER 60 Ca -0.22 0.55 0.04 0.00 1.31 0.00 0.00 55.95 57.64 1fa4 s SER 60 Cb 0.06 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 1fa4 s SER 60 CO 0.34 -2.63 0.06 -1.38 0.41 0.00 0.00 173.24 170.04 1fa4 s HIS 61 N -3.62 2.00 0.00 2.43 -3.43 -1.19 -4.99 115.29 106.48 1fa4 s HIS 61 Ca 0.69 -0.99 0.00 0.00 -0.80 0.00 0.00 55.06 53.95 1fa4 s HIS 61 Cb -0.08 -1.42 0.00 0.00 -1.43 0.00 0.00 32.58 29.65 1fa4 s HIS 61 CO 0.52 0.06 0.00 1.63 -2.00 0.00 0.00 174.74 174.95 1fa4 n LYS 62 N -0.94 4.13 -3.09 -0.38 5.02 -1.26 -4.86 118.16 116.78 1fa4 n LYS 62 Ca -0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.78 1fa4 n LYS 62 Cb 0.66 -0.52 -0.06 0.00 -0.02 0.00 0.00 35.03 35.10 1fa4 n LYS 62 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1fa4 s GLN 63 N -0.96 3.17 1.03 1.97 0.74 -1.26 -5.04 119.66 119.31 1fa4 s GLN 63 Ca 0.00 -0.75 -0.17 0.00 0.05 0.00 0.00 55.36 54.48 1fa4 s GLN 63 Cb 0.00 -4.09 0.01 0.00 1.10 0.00 0.00 33.01 30.04 1fa4 s GLN 63 CO 0.00 -1.27 -0.14 1.28 -0.55 0.00 0.00 175.29 174.61 1fa4 n LEU 64 N 6.43 -2.11 -4.75 3.68 4.32 -1.26 -4.89 117.00 118.42 1fa4 n LEU 64 Ca -0.05 0.09 -0.40 0.00 -0.02 0.00 0.00 56.01 55.63 1fa4 n LEU 64 Cb 0.46 -0.97 -0.05 0.00 -1.62 0.00 0.00 43.42 41.24 1fa4 n LEU 64 CO 0.56 -3.59 0.60 -0.76 -1.22 0.00 0.00 177.39 172.98 1fa4 s LEU 65 N 1.05 4.56 0.00 2.23 1.02 -1.26 -4.92 118.68 121.37 1fa4 s LEU 65 Ca 0.52 1.77 0.00 0.00 0.02 0.00 0.00 54.13 56.43 1fa4 s LEU 65 Cb -0.13 -3.49 0.00 0.00 0.02 0.00 0.00 46.19 42.59 1fa4 s LEU 65 CO 0.69 0.07 0.21 0.23 0.02 0.00 0.00 176.35 177.57 1fa4 n MET 66 N 2.14 0.58 -4.66 1.70 2.81 -1.26 -4.42 117.12 114.00 1fa4 n MET 66 Ca -0.01 -0.21 -0.31 0.00 -1.81 0.00 0.00 57.70 55.36 1fa4 n MET 66 Cb 0.49 -0.65 -0.13 0.00 -0.71 0.00 0.00 33.22 32.22 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 -0.14 3.82 -1.19 7.83 0.15 -1.26 -5.06 113.70 117.85 1fa4 s SER 67 Ca 0.00 -0.41 -0.19 0.00 0.70 0.00 0.00 55.95 56.04 1fa4 s SER 67 Cb 0.00 -0.63 0.07 0.00 -1.71 0.00 0.00 66.02 63.75 1fa4 s SER 67 CO 0.00 0.26 1.61 -2.16 1.20 0.00 0.00 173.24 174.15 1fa4 s PRO 68 N -1.41 3.86 0.00 5.44 0.04 -1.26 -4.01 135.00 137.65 1fa4 s PRO 68 Ca 0.15 -1.75 0.00 0.00 0.04 0.00 0.00 61.00 59.43 1fa4 s PRO 68 Cb -0.10 -5.43 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1fa4 s PRO 68 CO 0.05 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1fa4 n GLY 69 N 5.79 0.75 0.00 0.56 0.00 -1.17 -4.94 105.19 106.18 1fa4 n GLY 69 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.26 -4.77 117.38 123.61 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 -4.38 2.61 3.41 0.25 -4.45 113.62 111.06 1fa4 n SER 71 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 1fa4 n SER 71 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 2.86 4.86 -0.44 6.66 2.01 -1.25 -4.81 115.64 125.53 1fa4 s THR 72 Ca 0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 1fa4 s THR 72 Cb 0.00 -4.45 0.03 0.00 0.01 0.00 0.00 72.50 68.08 1fa4 s THR 72 CO 0.00 -1.07 1.12 -0.94 -0.69 0.00 0.00 174.62 173.05 1fa4 s SER 73 N 3.52 6.71 -0.19 3.53 1.04 -1.26 -4.32 113.70 122.71 1fa4 s SER 73 Ca 0.11 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 1fa4 s SER 73 Cb -0.24 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 1fa4 s SER 73 CO 0.07 -1.16 0.19 -0.89 0.98 0.00 0.00 173.24 172.43 1fa4 s THR 74 N 4.25 5.36 -0.80 2.02 2.01 -1.13 -4.92 115.64 122.44 1fa4 s THR 74 Ca 0.47 0.32 -0.24 0.00 0.31 0.00 0.00 61.69 62.55 1fa4 s THR 74 Cb -0.08 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 68.95 1fa4 s THR 74 CO 0.28 0.40 1.23 0.42 -0.69 0.00 0.00 174.62 176.26 1fa4 s THR 75 N 0.54 3.99 0.68 -0.82 -4.23 -1.26 -3.05 115.64 111.49 1fa4 s THR 75 Ca 0.11 -0.21 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 1fa4 s THR 75 Cb -0.12 -4.89 -0.10 0.00 1.34 0.00 0.00 72.50 68.73 1fa4 s THR 75 CO 0.01 -1.76 0.11 0.49 -0.54 0.00 0.00 174.62 172.93 1fa4 n PHE 76 N 8.64 -2.16 -1.69 3.99 3.01 -1.01 -4.92 117.46 123.32 1fa4 n PHE 76 Ca 0.10 0.33 -0.30 0.00 1.01 0.00 0.00 57.45 58.60 1fa4 n PHE 76 Cb 0.49 -1.77 0.08 0.00 -0.01 0.00 0.00 39.48 38.26 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 -2.00 2.29 0.00 -1.08 0.04 -1.26 -4.53 135.00 128.46 1fa4 s PRO 77 Ca 0.59 0.52 0.06 0.00 0.04 0.00 0.00 61.00 62.21 1fa4 s PRO 77 Cb -0.38 -1.95 0.36 0.00 0.04 0.00 0.00 34.50 32.57 1fa4 s PRO 77 CO 0.64 -1.45 1.18 0.00 0.04 0.00 0.00 177.00 177.42 1fa4 n ALA 78 N -3.30 2.48 0.75 8.56 0.00 -1.26 -2.75 120.51 125.00 1fa4 n ALA 78 Ca 0.07 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1fa4 n ALA 78 Cb 0.57 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.60 0.74 -2.89 0.00 8.00 -1.26 -4.82 116.55 115.71 1fa4 n ASP 79 Ca 0.05 -0.69 -0.18 0.00 0.71 0.00 0.00 54.79 54.67 1fa4 n ASP 79 Cb 0.02 1.16 -0.13 0.00 -0.02 0.00 0.00 41.12 42.15 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 -1.69 0.54 -1.80 2.24 0.00 -1.11 -4.82 120.51 113.87 1fa4 n ALA 80 Ca 0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 1fa4 n ALA 80 Cb 0.39 -1.51 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 4.96 2.79 -0.20 0.00 0.04 -1.26 -4.58 135.00 136.74 1fa4 s PRO 81 Ca 0.86 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 1fa4 s PRO 81 Cb -0.64 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1fa4 s PRO 81 CO 0.35 -1.10 1.90 0.00 0.04 0.00 0.00 177.00 178.18 1fa4 s ALA 82 N -3.28 3.07 -0.20 8.56 0.00 -1.22 -4.77 121.76 123.91 1fa4 s ALA 82 Ca 0.58 0.67 -0.33 0.00 0.00 0.00 0.00 51.96 52.88 1fa4 s ALA 82 Cb -0.12 -3.95 0.15 0.00 0.00 0.00 0.00 23.12 19.19 1fa4 s ALA 82 CO 0.53 -2.29 1.19 0.20 0.00 0.00 0.00 175.76 175.38 1fa4 s GLY 83 N 5.93 -0.21 -0.55 0.00 0.00 -1.16 -4.96 107.32 106.37 1fa4 s GLY 83 Ca 0.85 1.94 -0.21 0.00 0.00 0.00 0.00 44.72 47.30 1fa4 s GLY 83 CO 0.34 0.75 0.79 -1.83 0.00 0.00 0.00 173.10 173.15 1fa4 s GLU 84 N -1.88 3.20 0.74 2.90 4.04 -1.26 -3.74 118.70 122.69 1fa4 s GLU 84 Ca 0.07 -0.66 -0.11 0.00 0.04 0.00 0.00 54.97 54.31 1fa4 s GLU 84 Cb -0.01 -4.10 0.04 0.00 0.02 0.00 0.00 34.13 30.08 1fa4 s GLU 84 CO -0.05 -1.41 1.11 0.71 -1.84 0.00 0.00 175.26 173.78 1fa4 s TYR 85 N 3.31 3.13 -0.22 4.83 2.02 -0.67 -4.48 117.35 125.28 1fa4 s TYR 85 Ca 0.22 0.83 -0.05 0.00 -0.37 0.00 0.00 57.07 57.70 1fa4 s TYR 85 Cb -0.17 -3.23 0.11 0.00 -0.40 0.00 0.00 41.96 38.28 1fa4 s TYR 85 CO 0.14 -1.41 0.40 0.99 -1.57 0.00 0.00 175.55 174.10 1fa4 s THR 86 N -3.40 -0.63 0.39 -0.71 2.01 -1.26 -2.95 115.64 109.09 1fa4 s THR 86 Ca 0.59 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.74 1fa4 s THR 86 Cb -0.11 -0.73 -0.07 0.00 0.01 0.00 0.00 72.50 71.61 1fa4 s THR 86 CO 0.49 -0.01 0.05 0.72 -0.69 0.00 0.00 174.62 175.19 1fa4 s PHE 87 N 2.58 2.54 0.00 4.92 -0.71 -1.16 -1.45 117.98 124.71 1fa4 s PHE 87 Ca 0.05 -0.59 0.00 0.00 -1.04 0.00 0.00 56.93 55.35 1fa4 s PHE 87 Cb -0.14 -1.75 0.00 0.00 -1.21 0.00 0.00 43.02 39.92 1fa4 s PHE 87 CO -0.14 0.38 0.00 2.48 -1.34 0.00 0.00 175.22 176.60 1fa4 n TYR 88 N -1.03 -0.23 -5.21 3.49 4.11 -1.06 -1.45 117.16 115.77 1fa4 n TYR 88 Ca -0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.55 1fa4 n TYR 88 Cb 0.65 0.00 -0.16 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 5.91 0.40 0.08 0.00 4.22 -1.94 -3.32 114.58 119.94 1fa4 h GLU 90 Ca -0.35 -0.32 -0.00 0.00 0.08 0.00 0.00 59.36 58.77 1fa4 h GLU 90 Cb 1.16 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1fa4 h GLU 90 CO 0.48 0.95 -0.04 -1.00 -2.18 0.00 0.00 179.01 177.22 1fa4 h PRO 91 N -0.06 -0.10 -3.10 0.92 0.13 -1.92 -3.34 132.00 124.53 1fa4 h PRO 91 Ca -0.02 0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.78 1fa4 h PRO 91 Cb 1.01 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1fa4 h PRO 91 CO 0.08 -0.07 2.00 0.72 -0.23 0.00 0.00 178.00 180.50 1fa4 n HIS 92 N -4.73 1.09 -0.20 1.56 8.25 -1.26 -4.37 115.22 115.56 1fa4 n HIS 92 Ca -0.01 -1.79 0.05 0.00 -0.26 0.00 0.00 57.72 55.70 1fa4 n HIS 92 Cb 0.04 -1.61 0.27 0.00 1.12 0.00 0.00 29.99 29.81 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 3.72 3.46 -0.06 -0.41 0.63 -1.25 -3.72 116.66 119.03 1fa4 n ARG 93 Ca 0.43 -2.11 -0.07 0.00 -0.92 0.00 0.00 57.85 55.18 1fa4 n ARG 93 Cb 0.26 -1.94 -0.08 0.00 0.45 0.00 0.00 32.46 31.15 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 0.55 -0.41 1.84 5.14 0.00 -1.26 -4.51 105.19 106.54 1fa4 n GLY 94 Ca 0.19 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.62 4.79 -3.98 4.61 0.00 -1.26 -4.88 120.51 117.17 1fa4 n ALA 95 Ca -0.21 -1.86 -0.41 0.00 0.00 0.00 0.00 53.44 50.95 1fa4 n ALA 95 Cb 0.83 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.24 -0.94 2.65 0.00 0.00 -1.26 -4.80 105.19 100.61 1fa4 n GLY 96 Ca 0.36 0.39 -0.41 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.56 4.36 -3.81 1.61 2.81 -1.24 -4.85 117.12 111.44 1fa4 n MET 97 Ca -0.14 -3.68 -0.30 0.00 -1.81 0.00 0.00 57.70 51.77 1fa4 n MET 97 Cb 0.59 -2.70 -0.14 0.00 -0.71 0.00 0.00 33.22 30.25 1fa4 n MET 97 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1fa4 s VAL 98 N -1.10 1.48 0.00 2.03 0.11 -1.26 -1.74 120.40 119.92 1fa4 s VAL 98 Ca 0.46 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1fa4 s VAL 98 Cb 0.15 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 1fa4 s VAL 98 CO -0.05 -0.73 0.00 0.61 -3.33 0.00 0.00 175.10 171.60 1fa4 n GLY 99 N 4.22 -1.39 3.57 6.54 0.00 -0.53 -4.82 105.19 112.79 1fa4 n GLY 99 Ca 0.03 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.32 0.49 0.17 1.61 1.02 -0.90 -2.97 119.74 117.84 1fa4 s LYS 100 Ca 0.00 1.20 -0.27 0.00 0.02 0.00 0.00 55.97 56.92 1fa4 s LYS 100 Cb 0.00 0.70 -0.08 0.00 -0.52 0.00 0.00 37.83 37.93 1fa4 s LYS 100 CO 0.00 -0.16 0.84 0.42 -0.92 0.00 0.00 175.35 175.53 1fa4 s ILE 101 N 2.68 4.33 -0.48 2.17 1.01 -1.15 -0.98 121.20 128.78 1fa4 s ILE 101 Ca -0.05 1.84 0.02 0.00 0.00 0.00 0.00 60.65 62.47 1fa4 s ILE 101 Cb -0.10 -4.21 0.12 0.00 0.01 0.00 0.00 42.46 38.29 1fa4 s ILE 101 CO -0.18 0.48 0.22 -0.89 0.00 0.00 0.00 174.94 174.57 1fa4 s THR 102 N -0.93 2.76 -0.30 2.92 2.01 0.38 -1.66 115.64 120.82 1fa4 s THR 102 Ca 0.39 -2.86 -0.12 0.00 0.31 0.00 0.00 61.69 59.40 1fa4 s THR 102 Cb -0.24 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1fa4 s THR 102 CO 0.28 -0.75 0.24 -0.69 -0.69 0.00 0.00 174.62 173.01 1fa4 s VAL 103 N 0.23 5.28 0.12 3.82 1.01 -1.25 -2.17 120.40 127.44 1fa4 s VAL 103 Ca 0.14 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1fa4 s VAL 103 Cb -0.23 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1fa4 s VAL 103 CO -0.03 0.15 0.44 0.00 0.00 0.00 0.00 175.10 175.66 1fa4 s ALA 104 N 1.81 3.69 0.00 5.51 0.00 -1.26 -3.01 121.76 128.51 1fa4 s ALA 104 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1fa4 s ALA 104 Cb -0.16 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1fa4 s ALA 104 CO 0.11 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.83