#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe0 n PRO 2 N 0.00 2.00 -3.83 2.12 -0.02 -1.24 -4.73 135.00 129.29 1fe0 n PRO 2 Ca 0.00 0.71 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 1fe0 n PRO 2 Cb 0.00 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 30.90 1fe0 n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1fe0 s LYS 3 N -2.30 2.37 0.12 -0.52 1.02 -1.26 -2.10 119.74 117.07 1fe0 s LYS 3 Ca 0.61 -1.40 0.02 0.00 0.02 0.00 0.00 55.97 55.22 1fe0 s LYS 3 Cb -0.49 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1fe0 s LYS 3 CO 0.57 -0.76 0.26 -1.01 -0.92 0.00 0.00 175.35 173.50 1fe0 s HIS 4 N 1.26 3.50 -0.05 3.18 3.76 0.20 -0.77 115.29 126.37 1fe0 s HIS 4 Ca -0.01 0.17 0.03 0.00 -0.15 0.00 0.00 55.06 55.10 1fe0 s HIS 4 Cb -0.21 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 31.79 1fe0 s HIS 4 CO -0.01 0.54 -0.11 -1.21 -0.85 0.00 0.00 174.74 173.09 1fe0 s GLU 5 N -3.00 1.38 0.10 1.40 2.02 -0.14 -0.73 118.70 119.72 1fe0 s GLU 5 Ca 0.35 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 55.02 1fe0 s GLU 5 Cb -0.12 -1.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 1fe0 s GLU 5 CO 0.28 0.08 -0.15 -0.06 0.02 0.00 0.00 175.26 175.43 1fe0 s PHE 6 N 0.43 1.40 -0.21 1.61 0.40 0.62 -0.10 117.98 122.13 1fe0 s PHE 6 Ca -0.09 -0.50 -0.08 0.00 -0.60 0.00 0.00 56.93 55.66 1fe0 s PHE 6 Cb -0.13 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 1fe0 s PHE 6 CO 0.02 0.13 0.09 0.45 0.70 0.00 0.00 175.22 176.61 1fe0 s SER 7 N -2.13 5.71 -0.08 1.36 0.15 0.38 -0.58 113.70 118.52 1fe0 s SER 7 Ca 0.05 0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.74 1fe0 s SER 7 Cb -0.07 -2.00 0.03 0.00 -1.71 0.00 0.00 66.02 62.26 1fe0 s SER 7 CO 0.03 0.11 -0.01 -0.69 1.20 0.00 0.00 173.24 173.88 1fe0 s VAL 8 N 0.76 0.49 -1.16 4.45 1.01 -0.44 -1.15 120.40 124.36 1fe0 s VAL 8 Ca 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1fe0 s VAL 8 Cb -0.13 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.55 1fe0 s VAL 8 CO 0.02 0.27 2.31 -0.90 0.00 0.00 0.00 175.10 176.80 1fe0 n ASP 9 N 5.11 5.22 -4.75 3.32 5.75 -0.97 -4.45 116.55 125.78 1fe0 n ASP 9 Ca -0.08 -2.55 -0.40 0.00 -0.01 0.00 0.00 54.79 51.75 1fe0 n ASP 9 Cb 0.50 -1.31 -0.05 0.00 -1.03 0.00 0.00 41.12 39.23 1fe0 n ASP 9 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1fe0 s MET 10 N 3.39 4.69 0.00 0.11 -1.94 -1.26 -4.82 119.30 119.47 1fe0 s MET 10 Ca 0.52 1.69 0.00 0.00 -1.71 0.00 0.00 55.69 56.19 1fe0 s MET 10 Cb 0.14 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.73 1fe0 s MET 10 CO -0.02 0.25 0.82 0.25 -0.01 0.00 0.00 175.02 176.31 1fe0 n THR 11 N 1.64 0.66 -3.72 2.05 -2.24 -1.26 -4.81 114.28 106.61 1fe0 n THR 11 Ca -0.00 -0.72 -0.07 0.00 -2.27 0.00 0.00 64.05 60.99 1fe0 n THR 11 Cb 0.46 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1fe0 n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fe0 h GLY 13 N 2.00 0.76 1.50 0.00 0.00 -2.00 -0.96 103.07 104.37 1fe0 h GLY 13 Ca -0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1fe0 h GLY 13 CO 0.27 0.22 0.11 -1.33 0.00 0.00 0.00 176.54 175.81 1fe0 h GLY 14 N 0.65 0.68 0.99 4.60 0.00 -1.99 -0.54 103.07 107.45 1fe0 h GLY 14 Ca 0.24 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1fe0 h GLY 14 CO -0.07 0.34 0.28 0.00 0.00 0.00 0.00 176.54 177.10 1fe0 h ALA 16 N 1.12 0.88 -0.66 0.00 0.00 -1.11 -2.18 119.26 117.32 1fe0 h ALA 16 Ca 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1fe0 h ALA 16 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1fe0 h ALA 16 CO -0.03 0.67 0.33 0.93 0.00 0.00 0.00 179.25 181.15 1fe0 h GLU 17 N 1.03 0.93 -0.78 0.00 5.08 -0.83 -1.02 114.58 119.00 1fe0 h GLU 17 Ca 0.20 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1fe0 h GLU 17 Cb 0.47 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1fe0 h GLU 17 CO 0.02 0.73 0.30 0.00 -1.00 0.00 0.00 179.01 179.06 1fe0 h ALA 18 N 1.15 1.01 -0.64 3.43 0.00 -1.10 0.18 119.26 123.29 1fe0 h ALA 18 Ca 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1fe0 h ALA 18 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1fe0 h ALA 18 CO -0.03 0.65 0.28 0.28 0.00 0.00 0.00 179.25 180.43 1fe0 h VAL 19 N 1.13 1.23 -0.59 0.00 2.07 -1.07 -2.14 116.25 116.89 1fe0 h VAL 19 Ca 0.26 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1fe0 h VAL 19 Cb 0.23 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1fe0 h VAL 19 CO -0.02 0.27 0.37 -1.28 0.02 0.00 0.00 177.57 176.94 1fe0 h SER 20 N 0.89 0.63 -0.71 0.57 0.87 -0.48 -2.40 113.55 112.92 1fe0 h SER 20 Ca 0.22 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1fe0 h SER 20 Cb 0.16 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1fe0 h SER 20 CO -0.02 0.45 0.31 0.03 -0.53 0.00 0.00 176.83 177.06 1fe0 h ARG 21 N 0.75 1.04 -0.14 2.24 3.08 -0.53 0.04 114.38 120.87 1fe0 h ARG 21 Ca 0.23 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.98 1fe0 h ARG 21 Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1fe0 h ARG 21 CO -0.08 0.84 -0.46 -0.39 -1.07 0.00 0.00 179.97 178.82 1fe0 h VAL 22 N 1.00 1.32 -0.25 2.04 -1.51 -1.24 -1.69 116.25 115.92 1fe0 h VAL 22 Ca 0.24 -1.65 -0.18 0.00 -1.23 0.00 0.00 66.70 63.88 1fe0 h VAL 22 Cb 0.17 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1fe0 h VAL 22 CO -0.02 0.50 -0.57 -0.07 -1.23 0.00 0.00 177.57 176.18 1fe0 h LEU 23 N 0.27 0.87 -0.80 4.19 3.38 -1.17 -1.90 115.31 120.15 1fe0 h LEU 23 Ca 0.02 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1fe0 h LEU 23 Cb 0.91 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1fe0 h LEU 23 CO 0.08 1.25 0.42 0.78 0.09 0.00 0.00 178.44 181.06 1fe0 h ASN 24 N 0.59 1.02 -0.51 -0.43 -0.26 -0.84 -1.43 115.58 113.73 1fe0 h ASN 24 Ca 0.01 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.56 1fe0 h ASN 24 Cb 1.16 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.14 1fe0 h ASN 24 CO 0.12 0.84 0.03 0.50 -1.06 0.00 0.00 177.43 177.86 1fe0 h LYS 25 N 1.13 0.88 -0.05 0.81 3.64 -1.18 -3.05 116.57 118.74 1fe0 h LYS 25 Ca 0.28 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1fe0 h LYS 25 Cb 0.06 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1fe0 h LYS 25 CO -0.04 0.89 0.03 1.25 -2.27 0.00 0.00 179.45 179.31 1fe0 h LEU 26 N 0.74 0.06 0.00 5.20 5.85 -1.04 -3.49 115.31 122.64 1fe0 h LEU 26 Ca 0.15 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1fe0 h LEU 26 Cb 0.48 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1fe0 h LEU 26 CO 0.02 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.81 1fe0 n GLY 27 N -1.01 -1.35 3.25 3.75 0.00 -0.57 -4.96 105.19 104.31 1fe0 n GLY 27 Ca -0.06 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1fe0 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fe0 n GLY 28 N -1.45 -0.52 3.07 -0.02 0.00 -1.26 -4.99 105.19 100.02 1fe0 n GLY 28 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1fe0 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fe0 s VAL 29 N -3.19 0.42 -0.23 1.61 -7.23 -1.26 -4.34 120.40 106.18 1fe0 s VAL 29 Ca 0.40 -1.37 -0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1fe0 s VAL 29 Cb -0.19 -0.94 0.07 0.00 0.56 0.00 0.00 36.38 35.88 1fe0 s VAL 29 CO 0.50 -0.63 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.11 1fe0 s LYS 30 N -2.49 1.26 0.26 4.82 1.02 -0.64 -4.98 119.74 118.98 1fe0 s LYS 30 Ca -0.03 -0.88 0.08 0.00 0.02 0.00 0.00 55.97 55.16 1fe0 s LYS 30 Cb -0.03 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 1fe0 s LYS 30 CO -0.03 -0.66 -0.11 1.52 -0.92 0.00 0.00 175.35 175.15 1fe0 s TYR 31 N 1.52 1.94 -0.03 3.18 1.13 -1.26 -0.27 117.35 123.56 1fe0 s TYR 31 Ca -0.02 -0.59 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 1fe0 s TYR 31 Cb -0.18 -1.00 0.03 0.00 -1.10 0.00 0.00 41.96 39.71 1fe0 s TYR 31 CO -0.09 0.39 0.01 0.34 -2.51 0.00 0.00 175.55 173.69 1fe0 s ASP 32 N -3.42 0.36 -0.20 -0.18 -1.08 -0.09 -4.99 116.67 107.08 1fe0 s ASP 32 Ca 0.27 -0.01 -0.01 0.00 -0.52 0.00 0.00 52.55 52.29 1fe0 s ASP 32 Cb 0.01 -0.18 0.01 0.00 -1.46 0.00 0.00 42.92 41.30 1fe0 s ASP 32 CO 0.11 -0.11 -0.13 -0.63 0.52 0.00 0.00 175.17 174.92 1fe0 s ILE 33 N 1.08 2.60 -0.69 4.11 1.01 -1.26 -0.67 121.20 127.38 1fe0 s ILE 33 Ca -0.09 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 1fe0 s ILE 33 Cb -0.13 -2.14 0.18 0.00 0.01 0.00 0.00 42.46 40.37 1fe0 s ILE 33 CO -0.02 0.48 0.55 -0.62 0.00 0.00 0.00 174.94 175.33 1fe0 s ASP 34 N 1.36 5.82 0.13 3.58 -1.08 0.38 -4.97 116.67 121.89 1fe0 s ASP 34 Ca 0.05 -2.73 -0.26 0.00 -0.52 0.00 0.00 52.55 49.10 1fe0 s ASP 34 Cb -0.14 -1.99 -0.05 0.00 -1.46 0.00 0.00 42.92 39.28 1fe0 s ASP 34 CO -0.09 -0.47 1.63 0.25 0.52 0.00 0.00 175.17 177.02 1fe0 h LEU 35 N 7.40 -0.78 -1.34 -1.34 5.85 -1.97 -1.10 115.31 122.04 1fe0 h LEU 35 Ca 0.01 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.98 1fe0 h LEU 35 Cb 0.99 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 42.28 1fe0 h LEU 35 CO 0.74 -0.33 0.55 -0.65 -0.34 0.00 0.00 178.44 178.42 1fe0 h PRO 36 N -0.39 0.65 -0.64 5.25 0.11 -1.93 -1.77 132.00 133.28 1fe0 h PRO 36 Ca 0.07 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1fe0 h PRO 36 Cb 0.48 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1fe0 h PRO 36 CO -0.24 0.43 0.00 0.09 -0.21 0.00 0.00 178.00 178.07 1fe0 n ASN 37 N -4.54 3.62 -4.09 -2.05 3.02 -1.05 -4.97 115.26 105.20 1fe0 n ASN 37 Ca 0.16 -1.99 -0.31 0.00 -0.03 0.00 0.00 54.58 52.41 1fe0 n ASN 37 Cb 0.45 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1fe0 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1fe0 n LYS 38 N 1.49 -3.19 -4.86 3.52 5.02 -0.46 -4.94 118.16 114.73 1fe0 n LYS 38 Ca 0.22 0.38 -0.25 0.00 -2.02 0.00 0.00 58.31 56.64 1fe0 n LYS 38 Cb 0.58 -4.75 -0.15 0.00 -0.02 0.00 0.00 35.03 30.68 1fe0 n LYS 38 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1fe0 s LYS 39 N -6.77 1.47 -0.10 1.97 2.20 -0.91 -1.32 119.74 116.28 1fe0 s LYS 39 Ca 0.34 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1fe0 s LYS 39 Cb -0.19 -1.41 0.02 0.00 -1.51 0.00 0.00 37.83 34.75 1fe0 s LYS 39 CO 0.91 0.38 -0.08 0.08 -0.36 0.00 0.00 175.35 176.27 1fe0 s VAL 40 N -0.39 1.01 -0.14 4.02 1.01 0.26 -0.47 120.40 125.71 1fe0 s VAL 40 Ca 0.06 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1fe0 s VAL 40 Cb -0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1fe0 s VAL 40 CO -0.00 0.36 0.05 0.00 0.00 0.00 0.00 175.10 175.51 1fe0 s ILE 42 N -0.25 0.47 -0.28 0.00 1.01 0.09 -0.91 121.20 121.33 1fe0 s ILE 42 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.63 1fe0 s ILE 42 Cb -0.12 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 1fe0 s ILE 42 CO 0.02 0.25 0.13 -0.70 0.00 0.00 0.00 174.94 174.63 1fe0 s GLU 43 N 1.46 3.58 0.05 2.79 2.12 0.62 -0.63 118.70 128.69 1fe0 s GLU 43 Ca -0.03 -0.55 -0.27 0.00 0.36 0.00 0.00 54.97 54.49 1fe0 s GLU 43 Cb -0.13 -3.50 0.09 0.00 0.26 0.00 0.00 34.13 30.85 1fe0 s GLU 43 CO -0.03 -0.29 0.79 0.45 -0.54 0.00 0.00 175.26 175.64 1fe0 s SER 44 N 1.64 -0.44 0.07 -1.70 0.15 -0.89 -1.62 113.70 110.91 1fe0 s SER 44 Ca 0.06 0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.97 1fe0 s SER 44 Cb -0.16 0.46 0.35 0.00 -1.71 0.00 0.00 66.02 64.95 1fe0 s SER 44 CO 0.06 -0.74 1.30 -0.62 1.20 0.00 0.00 173.24 174.45 1fe0 n GLU 45 N -0.26 0.20 -1.83 5.44 -0.58 -1.26 -3.73 120.64 118.61 1fe0 n GLU 45 Ca -0.12 0.04 -0.40 0.00 -0.42 0.00 0.00 57.16 56.26 1fe0 n GLU 45 Cb 0.63 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 1fe0 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1fe0 s HIS 46 N -3.12 2.58 0.77 -0.32 3.76 -1.26 -4.93 115.29 112.77 1fe0 s HIS 46 Ca 0.07 1.23 -0.14 0.00 -0.15 0.00 0.00 55.06 56.07 1fe0 s HIS 46 Cb 0.15 -3.95 0.06 0.00 1.11 0.00 0.00 32.58 29.96 1fe0 s HIS 46 CO 0.73 -2.85 1.23 -1.54 -0.85 0.00 0.00 174.74 171.45 1fe0 s SER 47 N -0.33 3.79 0.36 1.40 1.04 -1.26 -4.78 113.70 113.92 1fe0 s SER 47 Ca 0.56 2.44 0.07 0.00 0.48 0.00 0.00 55.95 59.49 1fe0 s SER 47 Cb -0.45 -2.60 0.77 0.00 0.10 0.00 0.00 66.02 63.85 1fe0 s SER 47 CO 0.59 -2.54 1.94 -0.03 0.98 0.00 0.00 173.24 174.19 1fe0 h MET 48 N -0.58 0.70 -0.35 4.02 4.05 -1.96 -1.44 114.93 119.37 1fe0 h MET 48 Ca -0.47 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 58.94 1fe0 h MET 48 Cb 1.31 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.92 1fe0 h MET 48 CO 0.48 0.47 0.15 -0.44 0.23 0.00 0.00 176.91 177.79 1fe0 h ASP 49 N 0.72 0.20 -0.39 1.39 3.32 -1.99 0.78 116.42 120.46 1fe0 h ASP 49 Ca 0.34 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 1fe0 h ASP 49 Cb 0.36 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1fe0 h ASP 49 CO -0.12 0.16 -0.08 0.74 -1.72 0.00 0.00 179.24 178.22 1fe0 h THR 50 N 0.32 1.27 -0.58 0.35 2.02 -1.64 -1.24 112.91 113.42 1fe0 h THR 50 Ca 0.15 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 1fe0 h THR 50 Cb 0.09 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1fe0 h THR 50 CO -0.13 0.38 0.31 -0.07 0.37 0.00 0.00 175.52 176.39 1fe0 h LEU 51 N 0.54 0.72 -0.20 2.58 3.38 -1.02 0.37 115.31 121.68 1fe0 h LEU 51 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fe0 h LEU 51 Cb 0.59 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1fe0 h LEU 51 CO 0.04 0.61 0.11 0.25 0.09 0.00 0.00 178.44 179.54 1fe0 h LEU 52 N 0.78 0.26 -0.66 1.67 5.85 -0.76 -1.08 115.31 121.37 1fe0 h LEU 52 Ca 0.20 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1fe0 h LEU 52 Cb 0.05 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1fe0 h LEU 52 CO -0.03 0.27 0.39 0.00 -0.34 0.00 0.00 178.44 178.73 1fe0 h ALA 53 N 1.00 0.84 -0.31 1.25 0.00 -0.96 -1.00 119.26 120.08 1fe0 h ALA 53 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fe0 h ALA 53 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1fe0 h ALA 53 CO -0.01 0.32 0.17 1.15 0.00 0.00 0.00 179.25 180.88 1fe0 h THR 54 N 0.90 1.13 -0.60 0.00 2.02 -0.71 -2.60 112.91 113.04 1fe0 h THR 54 Ca 0.24 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1fe0 h THR 54 Cb -0.02 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1fe0 h THR 54 CO -0.04 0.13 0.20 -0.07 0.37 0.00 0.00 175.52 176.10 1fe0 h LEU 55 N 0.38 0.82 -1.72 2.58 3.38 -0.91 -2.13 115.31 117.71 1fe0 h LEU 55 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fe0 h LEU 55 Cb 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1fe0 h LEU 55 CO -0.02 0.77 0.00 0.11 0.09 0.00 0.00 178.44 179.39 1fe0 h LYS 56 N 0.87 0.00 0.00 1.13 1.57 -0.82 -2.46 116.57 116.85 1fe0 h LYS 56 Ca 0.20 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1fe0 h LYS 56 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1fe0 h LYS 56 CO -0.01 0.00 -0.04 0.87 -0.57 0.00 0.00 179.45 179.70 1fe0 h LYS 57 N 0.00 0.00 0.00 3.15 1.57 -1.06 -1.90 116.57 118.33 1fe0 h LYS 57 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1fe0 h LYS 57 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1fe0 h LYS 57 CO 0.00 0.04 -0.09 1.79 -0.57 0.00 0.00 179.45 180.62 1fe0 h THR 58 N 0.00 0.27 0.00 -0.16 1.35 -1.59 -3.46 112.91 109.32 1fe0 h THR 58 Ca -0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1fe0 h THR 58 Cb 0.26 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1fe0 h THR 58 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1fe0 n GLY 59 N -0.22 0.72 3.91 5.82 0.00 -0.71 -5.06 105.19 109.64 1fe0 n GLY 59 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1fe0 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fe0 s LYS 60 N -0.58 3.38 -0.13 1.61 -0.14 -1.26 -5.04 119.74 117.58 1fe0 s LYS 60 Ca 0.00 0.13 -0.29 0.00 -1.36 0.00 0.00 55.97 54.45 1fe0 s LYS 60 Cb 0.00 -2.36 -0.01 0.00 -1.68 0.00 0.00 37.83 33.78 1fe0 s LYS 60 CO 0.00 -0.33 0.99 0.99 -0.76 0.00 0.00 175.35 176.25 1fe0 s THR 61 N -2.80 4.78 -0.03 2.17 2.01 -1.26 -4.78 115.64 115.73 1fe0 s THR 61 Ca 0.49 2.00 0.05 0.00 0.31 0.00 0.00 61.69 64.54 1fe0 s THR 61 Cb -0.10 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1fe0 s THR 61 CO 0.45 -0.02 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.49 1fe0 s VAL 62 N 2.17 1.51 0.16 3.82 1.01 -1.26 -2.30 120.40 125.50 1fe0 s VAL 62 Ca 0.47 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1fe0 s VAL 62 Cb -0.18 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1fe0 s VAL 62 CO 0.16 0.43 0.02 -0.55 0.00 0.00 0.00 175.10 175.16 1fe0 s SER 63 N -0.16 0.93 -0.23 3.32 0.15 -0.30 -4.98 113.70 112.43 1fe0 s SER 63 Ca 0.00 -1.18 -0.10 0.00 0.70 0.00 0.00 55.95 55.37 1fe0 s SER 63 Cb -0.10 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.33 1fe0 s SER 63 CO 0.01 -0.62 0.13 -0.47 1.20 0.00 0.00 173.24 173.49 1fe0 s TYR 64 N -3.78 3.30 -2.79 3.44 5.04 -1.26 -0.47 117.35 120.83 1fe0 s TYR 64 Ca 0.24 0.17 0.25 0.00 -2.44 0.00 0.00 57.07 55.29 1fe0 s TYR 64 Cb 0.07 -2.22 0.46 0.00 0.35 0.00 0.00 41.96 40.62 1fe0 s TYR 64 CO 0.03 0.08 1.41 1.28 -1.34 0.00 0.00 175.55 177.02 1fe0 n LEU 65 N 4.09 2.60 0.00 6.97 4.77 0.86 -4.89 117.00 131.40 1fe0 n LEU 65 Ca -0.15 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1fe0 n LEU 65 Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1fe0 n LEU 65 CO 0.35 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1fe0 n GLY 66 N 1.31 -3.06 3.80 -0.72 0.00 -1.13 -4.83 105.19 100.56 1fe0 n GLY 66 Ca 0.16 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 1fe0 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fe0 s LEU 67 N 0.00 3.91 0.00 0.99 1.43 -1.26 -0.97 118.68 122.78 1fe0 s LEU 67 Ca 0.00 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1fe0 s LEU 67 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1fe0 s LEU 67 CO 0.00 -0.69 0.42 1.21 0.23 0.00 0.00 176.35 177.52