#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ae3 s ILE 2 N 0.00 5.30 -0.20 1.12 1.01 -1.26 -5.08 121.20 122.09 1ae3 s ILE 2 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 1ae3 s ILE 2 Cb 0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1ae3 s ILE 2 CO 0.00 0.34 0.48 -0.75 0.00 0.00 0.00 174.94 175.00 1ae3 s LYS 3 N 1.15 4.18 -0.04 2.79 2.20 -1.26 -4.08 119.74 124.67 1ae3 s LYS 3 Ca 0.07 0.34 0.07 0.00 -0.36 0.00 0.00 55.97 56.09 1ae3 s LYS 3 Cb -0.14 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1ae3 s LYS 3 CO 0.05 -0.12 -0.25 0.08 -0.36 0.00 0.00 175.35 174.75 1ae3 s VAL 4 N 1.56 2.05 -0.06 4.02 1.01 -0.78 -1.85 120.40 126.35 1ae3 s VAL 4 Ca 0.22 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1ae3 s VAL 4 Cb -0.15 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1ae3 s VAL 4 CO 0.09 0.57 -0.13 -0.70 0.00 0.00 0.00 175.10 174.93 1ae3 s GLU 5 N -0.34 1.69 -0.36 2.72 2.12 0.17 -0.87 118.70 123.84 1ae3 s GLU 5 Ca 0.02 -0.45 -0.12 0.00 0.36 0.00 0.00 54.97 54.78 1ae3 s GLU 5 Cb -0.12 -1.41 0.00 0.00 0.26 0.00 0.00 34.13 32.86 1ae3 s GLU 5 CO 0.02 0.07 0.23 0.42 -0.54 0.00 0.00 175.26 175.46 1ae3 s ILE 6 N 0.52 5.03 0.52 -3.70 -1.09 0.14 -1.01 121.20 121.61 1ae3 s ILE 6 Ca -0.12 -0.47 -0.20 0.00 -2.23 0.00 0.00 60.65 57.63 1ae3 s ILE 6 Cb -0.15 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 1ae3 s ILE 6 CO 0.03 -0.11 1.08 -0.54 -1.23 0.00 0.00 174.94 174.18 1ae3 s LYS 7 N 1.66 3.56 0.37 2.79 3.01 -1.26 -0.65 119.74 129.22 1ae3 s LYS 7 Ca 0.05 1.47 0.18 0.00 -1.01 0.00 0.00 55.97 56.65 1ae3 s LYS 7 Cb -0.18 -2.05 1.14 0.00 -1.01 0.00 0.00 37.83 35.73 1ae3 s LYS 7 CO 0.09 -0.65 1.69 -1.35 0.51 0.00 0.00 175.35 175.64 1ae3 h PRO 8 N 1.31 0.31 0.00 -1.68 0.11 -1.97 -0.52 132.00 129.57 1ae3 h PRO 8 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ae3 h PRO 8 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ae3 h PRO 8 CO 0.58 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 1ae3 n SER 9 N -4.85 0.00 -0.23 -2.05 3.41 -1.26 -3.11 113.62 105.52 1ae3 n SER 9 Ca 0.31 0.25 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 1ae3 n SER 9 Cb 1.02 -0.35 0.12 0.00 -0.26 0.00 0.00 64.21 64.74 1ae3 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ae3 n GLN 10 N -1.35 2.19 0.09 4.33 6.02 -0.20 -4.83 117.38 123.62 1ae3 n GLN 10 Ca 0.04 -2.26 0.09 0.00 -0.01 0.00 0.00 57.00 54.86 1ae3 n GLN 10 Cb 0.09 -1.39 0.41 0.00 1.02 0.00 0.00 30.24 30.37 1ae3 n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ae3 n ALA 11 N -0.84 1.52 -2.34 -1.58 0.00 -1.18 -4.68 120.51 111.41 1ae3 n ALA 11 Ca 0.12 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 1ae3 n ALA 11 Cb 0.55 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 1ae3 n ALA 11 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ae3 s GLN 12 N -3.23 1.77 0.51 0.00 -1.52 -1.26 -4.61 119.66 111.33 1ae3 s GLN 12 Ca 0.04 -2.04 0.07 0.00 -1.95 0.00 0.00 55.36 51.47 1ae3 s GLN 12 Cb 0.08 0.08 0.03 0.00 -0.22 0.00 0.00 33.01 32.98 1ae3 s GLN 12 CO 0.29 -0.59 0.45 -0.59 -0.25 0.00 0.00 175.29 174.60 1ae3 s PHE 13 N -3.43 1.89 0.19 0.91 -0.12 -1.26 -4.77 117.98 111.39 1ae3 s PHE 13 Ca 0.36 -0.73 0.10 0.00 -0.05 0.00 0.00 56.93 56.61 1ae3 s PHE 13 Cb 0.03 -2.02 -0.04 0.00 -0.63 0.00 0.00 43.02 40.35 1ae3 s PHE 13 CO 0.23 -0.47 -0.21 0.95 -0.05 0.00 0.00 175.22 175.67 1ae3 s THR 14 N -2.68 2.14 -0.06 -4.49 -4.23 -0.75 -4.94 115.64 100.63 1ae3 s THR 14 Ca 0.42 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1ae3 s THR 14 Cb -0.03 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 1ae3 s THR 14 CO 0.25 -0.22 -0.21 -0.89 -0.54 0.00 0.00 174.62 173.01 1ae3 s THR 15 N -1.89 2.42 0.01 3.99 2.01 -1.26 -0.87 115.64 120.05 1ae3 s THR 15 Ca 0.19 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.32 1ae3 s THR 15 Cb -0.07 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1ae3 s THR 15 CO 0.09 0.57 -0.20 0.00 -0.69 0.00 0.00 174.62 174.38 1ae3 s ARG 16 N -0.27 1.51 0.28 4.92 1.70 0.09 -4.97 118.95 122.21 1ae3 s ARG 16 Ca 0.00 -0.83 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 1ae3 s ARG 16 Cb -0.13 -1.54 -0.02 0.00 -0.57 0.00 0.00 34.95 32.69 1ae3 s ARG 16 CO 0.03 0.41 0.29 -1.54 -1.08 0.00 0.00 175.30 173.41 1ae3 s SER 17 N -0.81 0.82 0.00 -2.89 1.04 -1.26 -0.39 113.70 110.21 1ae3 s SER 17 Ca 0.08 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1ae3 s SER 17 Cb -0.08 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1ae3 s SER 17 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1ae3 n GLY 18 N -0.47 -0.67 3.30 7.32 0.00 -0.86 -5.00 105.19 108.82 1ae3 n GLY 18 Ca 0.03 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1ae3 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ae3 s VAL 19 N -3.00 2.44 0.72 1.61 1.01 -1.26 -0.38 120.40 121.54 1ae3 s VAL 19 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 1ae3 s VAL 19 Cb 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1ae3 s VAL 19 CO 0.00 0.55 1.10 -0.94 0.00 0.00 0.00 175.10 175.81 1ae3 s SER 20 N 0.15 4.78 0.29 3.32 1.04 0.15 -4.88 113.70 118.55 1ae3 s SER 20 Ca -0.11 1.91 0.03 0.00 0.48 0.00 0.00 55.95 58.26 1ae3 s SER 20 Cb -0.16 -2.54 0.64 0.00 0.10 0.00 0.00 66.02 64.06 1ae3 s SER 20 CO 0.06 -1.85 1.79 0.08 0.98 0.00 0.00 173.24 174.30 1ae3 h ARG 21 N -0.58 0.76 -2.03 4.02 -0.00 -2.00 -1.12 114.38 113.43 1ae3 h ARG 21 Ca -0.45 -0.05 -0.49 0.00 -0.00 0.00 0.00 59.98 58.99 1ae3 h ARG 21 Cb 1.24 -0.17 -0.17 0.00 -0.00 0.00 0.00 29.97 30.87 1ae3 h ARG 21 CO 0.53 0.50 0.46 1.04 -0.00 0.00 0.00 179.97 182.50 1ae3 n GLN 22 N -4.76 2.50 -0.52 0.08 6.02 -1.26 -4.81 117.38 114.62 1ae3 n GLN 22 Ca 0.21 -2.33 -0.02 0.00 -0.01 0.00 0.00 57.00 54.85 1ae3 n GLN 22 Cb 0.48 -2.16 -0.01 0.00 1.02 0.00 0.00 30.24 29.57 1ae3 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ae3 n GLY 23 N 1.02 0.15 3.67 1.08 0.00 -0.42 -4.93 105.19 105.76 1ae3 n GLY 23 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1ae3 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ae3 s LYS 24 N -1.09 4.27 0.30 1.61 2.47 -1.25 -4.63 119.74 121.42 1ae3 s LYS 24 Ca 0.00 0.85 -0.30 0.00 -1.56 0.00 0.00 55.97 54.96 1ae3 s LYS 24 Cb 0.00 -3.57 -0.12 0.00 -1.46 0.00 0.00 37.83 32.68 1ae3 s LYS 24 CO 0.00 -0.28 1.59 -0.35 0.16 0.00 0.00 175.35 176.47 1ae3 n PRO 25 N 5.09 2.69 -4.36 4.03 -0.04 -1.26 0.32 135.00 141.48 1ae3 n PRO 25 Ca 0.02 0.96 -0.24 0.00 -0.04 0.00 0.00 63.50 64.20 1ae3 n PRO 25 Cb 0.49 -2.73 -0.08 0.00 -0.04 0.00 0.00 33.50 31.13 1ae3 n PRO 25 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1ae3 s TYR 26 N -0.07 2.53 -0.09 0.54 -0.85 0.49 -4.84 117.35 115.06 1ae3 s TYR 26 Ca 0.63 -0.31 -0.04 0.00 -0.52 0.00 0.00 57.07 56.83 1ae3 s TYR 26 Cb -0.50 -1.20 0.04 0.00 0.38 0.00 0.00 41.96 40.69 1ae3 s TYR 26 CO 0.49 0.62 0.21 -1.12 -1.52 0.00 0.00 175.55 174.23 1ae3 s SER 27 N -3.63 -0.15 -0.13 -0.18 0.01 -1.26 -2.02 113.70 106.34 1ae3 s SER 27 Ca 0.32 0.44 0.01 0.00 1.31 0.00 0.00 55.95 58.03 1ae3 s SER 27 Cb -0.04 0.33 -0.00 0.00 0.21 0.00 0.00 66.02 66.52 1ae3 s SER 27 CO 0.18 -0.17 -0.17 -0.76 0.41 0.00 0.00 173.24 172.73 1ae3 s LEU 28 N 1.32 2.43 -0.16 2.44 2.01 0.47 -4.96 118.68 122.23 1ae3 s LEU 28 Ca -0.08 -0.45 -0.08 0.00 0.01 0.00 0.00 54.13 53.52 1ae3 s LEU 28 Cb -0.11 -1.53 -0.04 0.00 0.01 0.00 0.00 46.19 44.52 1ae3 s LEU 28 CO -0.08 0.13 0.11 0.20 1.01 0.00 0.00 176.35 177.73 1ae3 s ASN 29 N 0.53 6.10 0.03 2.29 0.02 -1.26 -0.73 114.94 121.91 1ae3 s ASN 29 Ca -0.11 0.29 0.05 0.00 -1.02 0.00 0.00 52.86 52.07 1ae3 s ASN 29 Cb -0.16 -2.01 -0.02 0.00 0.02 0.00 0.00 41.25 39.08 1ae3 s ASN 29 CO 0.04 0.28 -0.14 -1.61 0.02 0.00 0.00 177.10 175.70 1ae3 s GLU 30 N -0.27 0.96 0.05 -0.60 2.02 -0.05 -1.48 118.70 119.32 1ae3 s GLU 30 Ca 0.10 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1ae3 s GLU 30 Cb -0.12 -0.96 -0.03 0.00 0.10 0.00 0.00 34.13 33.13 1ae3 s GLU 30 CO 0.01 0.24 -0.09 -1.14 0.02 0.00 0.00 175.26 174.30 1ae3 s GLN 31 N -1.00 0.59 0.03 1.61 0.74 -0.29 -1.80 119.66 119.55 1ae3 s GLN 31 Ca 0.02 -0.80 -0.05 0.00 0.05 0.00 0.00 55.36 54.58 1ae3 s GLN 31 Cb -0.07 -0.41 -0.05 0.00 1.10 0.00 0.00 33.01 33.57 1ae3 s GLN 31 CO 0.01 0.08 0.27 -0.51 -0.55 0.00 0.00 175.29 174.59 1ae3 s LEU 32 N -1.61 4.35 0.28 3.68 1.43 -1.26 -0.38 118.68 125.17 1ae3 s LEU 32 Ca -0.08 0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1ae3 s LEU 32 Cb -0.10 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1ae3 s LEU 32 CO 0.01 0.22 0.42 0.00 0.23 0.00 0.00 176.35 177.22 1ae3 s TYR 34 N -3.59 2.93 -0.13 0.00 2.02 -0.18 -1.40 117.35 116.99 1ae3 s TYR 34 Ca 0.29 -0.79 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1ae3 s TYR 34 Cb 0.01 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.53 1ae3 s TYR 34 CO 0.15 -0.39 -0.04 0.08 -1.57 0.00 0.00 175.55 173.78 1ae3 s VAL 35 N 1.02 3.91 -0.65 0.71 1.01 0.22 -0.66 120.40 125.97 1ae3 s VAL 35 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1ae3 s VAL 35 Cb -0.15 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1ae3 s VAL 35 CO -0.00 0.52 1.12 -0.62 0.00 0.00 0.00 175.10 176.12 1ae3 s ASP 36 N 0.03 6.25 -0.13 3.32 -1.08 -0.77 -0.80 116.67 123.49 1ae3 s ASP 36 Ca 0.00 -0.46 0.12 0.00 -0.52 0.00 0.00 52.55 51.69 1ae3 s ASP 36 Cb -0.13 -2.50 0.58 0.00 -1.46 0.00 0.00 42.92 39.41 1ae3 s ASP 36 CO 0.03 -1.55 1.43 0.18 0.52 0.00 0.00 175.17 175.78 1ae3 n LEU 37 N 8.40 4.11 0.00 -1.34 4.32 -1.26 -4.48 117.00 126.75 1ae3 n LEU 37 Ca 0.02 -2.08 0.00 0.00 -0.02 0.00 0.00 56.01 53.93 1ae3 n LEU 37 Cb 0.48 -0.56 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1ae3 n LEU 37 CO 0.68 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 178.05 1ae3 n GLY 38 N 0.74 0.84 1.83 -0.72 0.00 -1.26 -5.05 105.19 101.57 1ae3 n GLY 38 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1ae3 n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ae3 n ASN 39 N 0.00 -0.74 -0.16 1.61 3.02 -1.26 -4.95 115.26 112.77 1ae3 n ASN 39 Ca 0.00 -1.04 -0.01 0.00 -0.03 0.00 0.00 54.58 53.50 1ae3 n ASN 39 Cb 0.00 -0.50 0.23 0.00 -0.61 0.00 0.00 39.78 38.89 1ae3 n ASN 39 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1ae3 h GLU 40 N 0.00 0.88 -5.70 3.52 4.11 -2.04 -3.44 114.58 111.92 1ae3 h GLU 40 Ca -0.21 -0.12 -0.47 0.00 0.07 0.00 0.00 59.36 58.63 1ae3 h GLU 40 Cb 0.61 -0.17 -0.20 0.00 0.50 0.00 0.00 28.75 29.49 1ae3 h GLU 40 CO 0.14 0.69 -0.79 0.71 0.07 0.00 0.00 179.01 179.83 1ae3 s TYR 41 N -5.50 1.53 0.72 2.06 2.02 -1.26 -5.15 117.35 111.76 1ae3 s TYR 41 Ca -0.10 -0.48 -0.16 0.00 -0.37 0.00 0.00 57.07 55.96 1ae3 s TYR 41 Cb 0.17 -0.82 0.03 0.00 -0.40 0.00 0.00 41.96 40.93 1ae3 s TYR 41 CO 0.79 0.17 1.23 -2.30 -1.57 0.00 0.00 175.55 173.87 1ae3 n PRO 42 N 0.84 0.71 -3.94 -1.71 -0.02 -1.26 -4.81 135.00 124.82 1ae3 n PRO 42 Ca -0.18 0.31 -0.34 0.00 -2.02 0.00 0.00 63.50 61.27 1ae3 n PRO 42 Cb 0.55 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1ae3 n PRO 42 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ae3 s VAL 43 N -1.70 5.32 -0.18 -1.45 0.11 0.02 -4.88 120.40 117.64 1ae3 s VAL 43 Ca 0.79 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.47 1ae3 s VAL 43 Cb -0.34 -3.42 -0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1ae3 s VAL 43 CO 0.45 0.43 1.17 -0.22 -3.33 0.00 0.00 175.10 173.60 1ae3 s LEU 44 N -1.58 4.16 -0.03 2.54 0.20 -1.26 -0.61 118.68 122.09 1ae3 s LEU 44 Ca 0.22 1.58 0.07 0.00 0.69 0.00 0.00 54.13 56.69 1ae3 s LEU 44 Cb -0.12 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.08 1ae3 s LEU 44 CO 0.13 -0.71 -0.24 -0.69 -0.29 0.00 0.00 176.35 174.55 1ae3 s VAL 45 N 3.27 1.94 -0.12 1.68 1.01 -0.49 -4.96 120.40 122.73 1ae3 s VAL 45 Ca 0.51 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1ae3 s VAL 45 Cb -0.19 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1ae3 s VAL 45 CO 0.12 0.55 0.72 -0.75 0.00 0.00 0.00 175.10 175.73 1ae3 s LYS 46 N -0.42 4.36 0.05 2.72 2.20 -1.26 -1.17 119.74 126.21 1ae3 s LYS 46 Ca 0.05 0.86 0.08 0.00 -0.36 0.00 0.00 55.97 56.60 1ae3 s LYS 46 Cb -0.11 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1ae3 s LYS 46 CO 0.01 -0.09 -0.20 0.96 -0.36 0.00 0.00 175.35 175.66 1ae3 s ILE 47 N 1.36 2.64 -0.26 5.43 -4.36 0.49 -4.98 121.20 121.52 1ae3 s ILE 47 Ca 0.36 -1.28 -0.06 0.00 -0.26 0.00 0.00 60.65 59.41 1ae3 s ILE 47 Cb -0.17 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 1ae3 s ILE 47 CO 0.15 0.31 0.04 -0.89 0.24 0.00 0.00 174.94 174.79 1ae3 s THR 48 N -0.93 3.95 0.62 8.37 2.01 -1.26 -1.13 115.64 127.26 1ae3 s THR 48 Ca 0.14 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 1ae3 s THR 48 Cb -0.10 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1ae3 s THR 48 CO 0.05 0.28 1.10 -0.76 -0.69 0.00 0.00 174.62 174.60 1ae3 s LEU 49 N 1.54 3.50 0.56 4.42 1.02 -0.55 -4.88 118.68 124.29 1ae3 s LEU 49 Ca 0.05 1.99 -0.05 0.00 0.02 0.00 0.00 54.13 56.14 1ae3 s LEU 49 Cb -0.16 -4.55 -0.00 0.00 0.02 0.00 0.00 46.19 41.50 1ae3 s LEU 49 CO 0.01 -1.43 0.87 -1.81 0.02 0.00 0.00 176.35 174.01 1ae3 s ASP 50 N -2.45 5.75 0.17 2.29 1.11 -1.26 -4.57 116.67 117.71 1ae3 s ASP 50 Ca 0.67 0.74 -0.33 0.00 0.18 0.00 0.00 52.55 53.82 1ae3 s ASP 50 Cb -0.20 -1.82 -0.15 0.00 1.07 0.00 0.00 42.92 41.83 1ae3 s ASP 50 CO 0.37 -0.94 1.38 1.21 1.18 0.00 0.00 175.17 178.37 1ae3 n GLU 51 N -2.49 1.70 -0.80 8.23 2.13 -1.26 -2.39 120.64 125.75 1ae3 n GLU 51 Ca 0.04 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1ae3 n GLU 51 Cb 0.57 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.02 1ae3 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ae3 n GLY 52 N 2.52 1.16 3.68 8.31 0.00 -1.26 -5.01 105.19 114.59 1ae3 n GLY 52 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1ae3 n GLY 52 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ae3 s GLN 53 N -0.10 4.26 0.95 1.61 0.74 -1.01 -5.08 119.66 121.04 1ae3 s GLN 53 Ca 0.00 0.52 -0.12 0.00 0.05 0.00 0.00 55.36 55.81 1ae3 s GLN 53 Cb 0.00 -3.52 0.16 0.00 1.10 0.00 0.00 33.01 30.75 1ae3 s GLN 53 CO 0.00 -0.07 1.09 -1.25 -0.55 0.00 0.00 175.29 174.51 1ae3 s PRO 54 N 1.36 0.78 0.42 1.67 0.04 -1.26 -4.80 135.00 133.20 1ae3 s PRO 54 Ca 0.27 0.78 -0.26 0.00 0.04 0.00 0.00 61.00 61.83 1ae3 s PRO 54 Cb -0.16 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1ae3 s PRO 54 CO 0.11 -2.56 1.38 0.00 0.04 0.00 0.00 177.00 175.96 1ae3 n ALA 55 N -4.10 1.78 -1.77 8.56 0.00 -1.26 -4.95 120.51 118.77 1ae3 n ALA 55 Ca 0.06 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 1ae3 n ALA 55 Cb 0.55 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 1ae3 n ALA 55 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ae3 s TYR 56 N -1.17 2.69 0.86 0.00 2.02 -1.26 -4.98 117.35 115.51 1ae3 s TYR 56 Ca 0.59 0.96 -0.11 0.00 -0.37 0.00 0.00 57.07 58.14 1ae3 s TYR 56 Cb -0.49 -4.04 0.11 0.00 -0.40 0.00 0.00 41.96 37.14 1ae3 s TYR 56 CO 0.59 -3.30 1.11 0.00 -1.57 0.00 0.00 175.55 172.38 1ae3 s ALA 57 N -0.50 1.74 0.39 3.71 0.00 -1.26 -4.73 121.76 121.11 1ae3 s ALA 57 Ca 0.58 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.62 1ae3 s ALA 57 Cb -0.47 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.21 1ae3 s ALA 57 CO 0.55 -2.31 1.01 -2.30 0.00 0.00 0.00 175.76 172.70 1ae3 n PRO 58 N -3.90 1.37 -0.43 0.00 -0.02 -1.26 -4.78 135.00 125.98 1ae3 n PRO 58 Ca 0.10 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ae3 n PRO 58 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1ae3 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ae3 n GLY 59 N 1.19 0.73 3.65 -1.23 0.00 0.18 -4.96 105.19 104.73 1ae3 n GLY 59 Ca 0.09 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 1ae3 n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ae3 s LEU 60 N 0.00 3.83 0.18 0.99 1.43 -1.26 -0.68 118.68 123.17 1ae3 s LEU 60 Ca 0.00 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1ae3 s LEU 60 Cb 0.00 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 1ae3 s LEU 60 CO 0.00 0.20 -0.05 -0.31 0.23 0.00 0.00 176.35 176.41 1ae3 s TYR 61 N 0.22 1.37 0.46 0.29 1.51 -0.05 -2.00 117.35 119.14 1ae3 s TYR 61 Ca 0.04 -0.85 0.03 0.00 -1.01 0.00 0.00 57.07 55.29 1ae3 s TYR 61 Cb -0.12 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.95 1ae3 s TYR 61 CO 0.00 0.01 0.03 -0.08 -1.11 0.00 0.00 175.55 174.40 1ae3 s THR 62 N -3.40 1.25 -0.06 -0.71 -1.32 0.35 -1.86 115.64 109.89 1ae3 s THR 62 Ca 0.22 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.48 1ae3 s THR 62 Cb 0.04 -2.42 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 1ae3 s THR 62 CO 0.04 0.00 0.61 -0.69 -2.21 0.00 0.00 174.62 172.37 1ae3 s VAL 63 N -2.93 5.05 0.28 5.08 1.01 -1.26 -0.83 120.40 126.80 1ae3 s VAL 63 Ca 0.17 1.26 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 1ae3 s VAL 63 Cb 0.04 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1ae3 s VAL 63 CO 0.09 0.31 0.98 -2.28 0.00 0.00 0.00 175.10 174.20 1ae3 s HIS 64 N 0.50 3.78 0.54 5.22 2.46 0.80 -4.86 115.29 123.72 1ae3 s HIS 64 Ca 0.33 1.82 0.29 0.00 0.47 0.00 0.00 55.06 57.97 1ae3 s HIS 64 Cb -0.17 -3.03 1.45 0.00 -0.13 0.00 0.00 32.58 30.70 1ae3 s HIS 64 CO 0.16 0.13 1.93 -0.07 -2.47 0.00 0.00 174.74 174.42 1ae3 h LEU 65 N 3.69 0.00 0.00 8.88 3.38 -1.98 -1.18 115.31 128.10 1ae3 h LEU 65 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ae3 h LEU 65 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ae3 h LEU 65 CO 0.67 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.66 1ae3 n SER 66 N -4.28 0.00 0.26 -0.43 3.41 -1.26 -2.16 113.62 109.16 1ae3 n SER 66 Ca 0.14 0.50 0.17 0.00 -0.26 0.00 0.00 58.87 59.42 1ae3 n SER 66 Cb 0.80 -0.50 0.82 0.00 -0.26 0.00 0.00 64.21 65.08 1ae3 n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ae3 h SER 67 N 0.00 0.00 -2.92 4.04 0.02 -1.36 -3.45 113.55 109.88 1ae3 h SER 67 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1ae3 h SER 67 Cb 0.14 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 1ae3 h SER 67 CO 0.00 0.00 -0.56 -0.36 -1.14 0.00 0.00 176.83 174.77 1ae3 s PHE 68 N -3.76 3.25 0.16 3.45 0.08 -0.92 0.89 117.98 121.14 1ae3 s PHE 68 Ca -0.01 0.07 -0.18 0.00 0.12 0.00 0.00 56.93 56.94 1ae3 s PHE 68 Cb 0.10 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1ae3 s PHE 68 CO 0.41 0.53 0.48 -1.59 -0.10 0.00 0.00 175.22 174.96 1ae3 s LYS 69 N -2.73 1.24 -0.12 0.44 -2.85 -0.38 -4.77 119.74 110.56 1ae3 s LYS 69 Ca 0.31 -0.75 -0.28 0.00 -1.00 0.00 0.00 55.97 54.24 1ae3 s LYS 69 Cb -0.11 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1ae3 s LYS 69 CO 0.24 -0.51 0.96 0.08 0.10 0.00 0.00 175.35 176.22 1ae3 s VAL 70 N -3.83 4.81 1.01 1.79 1.01 -1.26 -0.96 120.40 122.96 1ae3 s VAL 70 Ca 0.06 1.94 -0.17 0.00 0.00 0.00 0.00 61.98 63.81 1ae3 s VAL 70 Cb 0.00 -4.27 0.23 0.00 0.00 0.00 0.00 36.38 32.34 1ae3 s VAL 70 CO -0.08 0.01 1.33 -0.83 0.00 0.00 0.00 175.10 175.53 1ae3 s GLY 71 N 1.10 1.80 0.40 4.51 0.00 0.04 -4.92 107.32 110.26 1ae3 s GLY 71 Ca 0.46 -1.28 0.28 0.00 0.00 0.00 0.00 44.72 44.18 1ae3 s GLY 71 CO 0.16 -0.45 1.86 0.06 0.00 0.00 0.00 173.10 174.73 1ae3 h GLN 72 N -1.82 0.00 -0.50 2.90 3.07 -1.97 -1.44 115.11 115.35 1ae3 h GLN 72 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1ae3 h GLN 72 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1ae3 h GLN 72 CO 0.33 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.44 1ae3 n PHE 73 N -2.54 0.73 -0.44 0.06 3.72 -1.26 -4.97 117.46 112.76 1ae3 n PHE 73 Ca -0.00 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.87 1ae3 n PHE 73 Cb 0.14 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1ae3 n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ae3 n GLY 74 N 0.90 0.85 3.96 1.37 0.00 -0.54 -5.06 105.19 106.66 1ae3 n GLY 74 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1ae3 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ae3 s SER 75 N -3.00 6.33 0.36 1.61 1.04 -1.26 -4.79 113.70 113.98 1ae3 s SER 75 Ca 0.00 0.12 -0.26 0.00 0.48 0.00 0.00 55.95 56.28 1ae3 s SER 75 Cb 0.00 -1.88 -0.09 0.00 0.10 0.00 0.00 66.02 64.15 1ae3 s SER 75 CO 0.00 -0.03 1.11 -0.22 0.98 0.00 0.00 173.24 175.08 1ae3 s LEU 76 N -3.73 4.31 0.07 2.42 2.96 -1.26 -0.78 118.68 122.68 1ae3 s LEU 76 Ca 0.34 2.24 -0.08 0.00 -0.22 0.00 0.00 54.13 56.42 1ae3 s LEU 76 Cb -0.10 -3.92 -0.01 0.00 0.50 0.00 0.00 46.19 42.67 1ae3 s LEU 76 CO 0.29 -0.43 0.16 0.00 -1.32 0.00 0.00 176.35 175.05 1ae3 s MET 77 N -2.04 0.77 -0.06 1.98 0.23 -0.14 -4.84 119.30 115.21 1ae3 s MET 77 Ca 0.53 -0.92 -0.30 0.00 -1.03 0.00 0.00 55.69 53.97 1ae3 s MET 77 Cb -0.29 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.30 1ae3 s MET 77 CO 0.37 -0.23 1.04 0.42 -2.03 0.00 0.00 175.02 174.59 1ae3 s ILE 78 N -3.57 4.68 0.00 3.16 1.01 -1.26 -1.25 121.20 123.97 1ae3 s ILE 78 Ca 0.03 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.62 1ae3 s ILE 78 Cb 0.04 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1ae3 s ILE 78 CO -0.09 0.06 0.03 -0.67 0.00 0.00 0.00 174.94 174.27 1ae3 n ASP 79 N 4.63 0.00 -3.77 3.58 2.03 0.26 -4.88 116.55 118.40 1ae3 n ASP 79 Ca 0.08 0.46 -0.18 0.00 0.52 0.00 0.00 54.79 55.67 1ae3 n ASP 79 Cb 0.49 -0.44 -0.17 0.00 -0.72 0.00 0.00 41.12 40.28 1ae3 n ASP 79 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ae3 s ARG 80 N -0.95 0.20 -0.02 -0.67 1.81 -1.23 -5.07 118.95 113.01 1ae3 s ARG 80 Ca 0.00 0.16 -0.30 0.00 -1.72 0.00 0.00 55.73 53.87 1ae3 s ARG 80 Cb 0.00 -0.50 -0.06 0.00 -0.45 0.00 0.00 34.95 33.93 1ae3 s ARG 80 CO 0.00 -0.20 1.64 -1.17 -0.68 0.00 0.00 175.30 174.89 1ae3 s LEU 81 N 1.37 4.33 -0.22 2.53 2.96 -1.26 -4.11 118.68 124.28 1ae3 s LEU 81 Ca -0.05 2.29 -0.04 0.00 -0.22 0.00 0.00 54.13 56.11 1ae3 s LEU 81 Cb -0.13 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 1ae3 s LEU 81 CO -0.03 -0.90 -0.03 0.00 -1.32 0.00 0.00 176.35 174.07 1ae3 s LEU 83 N 1.48 4.45 0.06 0.00 1.43 -1.26 -0.14 118.68 124.69 1ae3 s LEU 83 Ca 0.06 0.82 0.09 0.00 -1.03 0.00 0.00 54.13 54.06 1ae3 s LEU 83 Cb -0.14 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1ae3 s LEU 83 CO -0.03 0.35 -0.25 0.68 0.23 0.00 0.00 176.35 177.33 1ae3 s VAL 84 N -1.07 2.28 0.23 -1.59 -7.23 -0.01 -4.85 120.40 108.15 1ae3 s VAL 84 Ca 0.21 -1.40 -0.32 0.00 -1.81 0.00 0.00 61.98 58.66 1ae3 s VAL 84 Cb -0.15 -1.92 -0.12 0.00 0.56 0.00 0.00 36.38 34.75 1ae3 s VAL 84 CO 0.11 0.32 1.64 -0.81 -0.31 0.00 0.00 175.10 176.05 1ae3 n PRO 85 N 1.62 2.59 0.00 4.82 -0.04 -1.26 -0.50 135.00 142.23 1ae3 n PRO 85 Ca -0.17 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1ae3 n PRO 85 Cb 0.52 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1ae3 n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46