#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe0 s LYS 3 N 0.00 1.93 0.23 -0.52 2.20 -1.26 -3.32 119.74 119.01 1fe0 s LYS 3 Ca 0.00 -1.67 -0.17 0.00 -0.36 0.00 0.00 55.97 53.77 1fe0 s LYS 3 Cb 0.00 -3.28 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 1fe0 s LYS 3 CO 0.00 -0.87 0.69 -1.01 -0.36 0.00 0.00 175.35 173.80 1fe0 s HIS 4 N 1.07 3.56 -0.09 4.03 3.76 0.93 -4.35 115.29 124.20 1fe0 s HIS 4 Ca 0.04 1.27 0.03 0.00 -0.15 0.00 0.00 55.06 56.25 1fe0 s HIS 4 Cb -0.20 -2.54 0.01 0.00 1.11 0.00 0.00 32.58 30.95 1fe0 s HIS 4 CO -0.05 0.29 -0.20 -2.00 -0.85 0.00 0.00 174.74 171.93 1fe0 s GLU 5 N -2.25 2.55 0.12 1.40 2.12 -0.21 -0.08 118.70 122.34 1fe0 s GLU 5 Ca 0.45 -0.71 0.08 0.00 0.36 0.00 0.00 54.97 55.16 1fe0 s GLU 5 Cb -0.15 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 1fe0 s GLU 5 CO 0.20 0.11 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.77 1fe0 s PHE 6 N 0.50 1.80 -0.24 5.30 0.40 0.47 -0.63 117.98 125.57 1fe0 s PHE 6 Ca -0.17 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 1fe0 s PHE 6 Cb -0.17 -0.97 -0.05 0.00 0.51 0.00 0.00 43.02 42.35 1fe0 s PHE 6 CO 0.06 0.24 0.22 0.45 0.70 0.00 0.00 175.22 176.89 1fe0 s SER 7 N -2.09 6.17 -0.09 1.36 0.15 0.39 -0.90 113.70 118.69 1fe0 s SER 7 Ca 0.09 0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.91 1fe0 s SER 7 Cb -0.09 -2.14 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1fe0 s SER 7 CO 0.05 0.01 -0.04 -0.69 1.20 0.00 0.00 173.24 173.76 1fe0 s VAL 8 N 1.27 0.72 -1.10 4.45 1.01 -0.61 -1.45 120.40 124.68 1fe0 s VAL 8 Ca 0.10 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 1fe0 s VAL 8 Cb -0.14 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 1fe0 s VAL 8 CO 0.06 0.31 1.92 -0.67 0.00 0.00 0.00 175.10 176.72 1fe0 n ASP 9 N 4.94 3.11 -4.81 3.32 -0.08 -0.54 -4.47 116.55 118.03 1fe0 n ASP 9 Ca -0.11 -2.71 -0.37 0.00 -1.51 0.00 0.00 54.79 50.08 1fe0 n ASP 9 Cb 0.50 -1.59 -0.06 0.00 2.34 0.00 0.00 41.12 42.31 1fe0 n ASP 9 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1fe0 s MET 10 N 5.89 3.92 -0.03 -0.67 -1.94 -1.26 -4.69 119.30 120.51 1fe0 s MET 10 Ca 0.64 0.15 0.04 0.00 -1.71 0.00 0.00 55.69 54.82 1fe0 s MET 10 Cb 0.04 -3.29 0.07 0.00 2.01 0.00 0.00 34.83 33.66 1fe0 s MET 10 CO 0.12 0.55 0.95 0.25 -0.01 0.00 0.00 175.02 176.88 1fe0 n THR 11 N 2.51 0.95 -3.67 2.05 -2.24 -1.26 -4.83 114.28 107.79 1fe0 n THR 11 Ca -0.15 -1.04 -0.04 0.00 -2.27 0.00 0.00 64.05 60.55 1fe0 n THR 11 Cb 0.53 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.71 1.71 0.00 0.00 -2.00 -1.17 103.07 104.32 1fe0 h GLY 13 Ca -0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1fe0 h GLY 13 CO 0.27 0.20 0.13 -1.33 0.00 0.00 0.00 176.54 175.82 1fe0 h GLY 14 N 0.61 0.41 1.06 4.60 0.00 -1.99 -0.83 103.07 106.93 1fe0 h GLY 14 Ca 0.23 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1fe0 h GLY 14 CO -0.06 0.17 -0.10 0.00 0.00 0.00 0.00 176.54 176.54 1fe0 h ALA 16 N 0.90 0.72 -0.76 0.00 0.00 -1.22 -2.49 119.26 116.41 1fe0 h ALA 16 Ca 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1fe0 h ALA 16 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1fe0 h ALA 16 CO 0.05 0.67 0.32 1.49 0.00 0.00 0.00 179.25 181.78 1fe0 h GLU 17 N 0.90 1.12 -0.82 0.00 4.81 -1.03 -0.99 114.58 118.56 1fe0 h GLU 17 Ca 0.13 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1fe0 h GLU 17 Cb 0.73 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1fe0 h GLU 17 CO 0.06 0.90 0.37 0.00 -0.73 0.00 0.00 179.01 179.60 1fe0 h ALA 18 N 1.25 1.10 -0.44 2.92 0.00 -1.11 -0.31 119.26 122.66 1fe0 h ALA 18 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1fe0 h ALA 18 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1fe0 h ALA 18 CO -0.02 0.66 0.12 0.28 0.00 0.00 0.00 179.25 180.29 1fe0 h VAL 19 N 1.18 1.23 -0.96 0.00 2.07 -0.96 -2.50 116.25 116.31 1fe0 h VAL 19 Ca 0.28 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1fe0 h VAL 19 Cb 0.16 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1fe0 h VAL 19 CO -0.03 0.28 0.63 -1.28 0.02 0.00 0.00 177.57 177.19 1fe0 h SER 20 N 0.58 1.07 -0.40 0.57 0.87 -0.63 -2.09 113.55 113.53 1fe0 h SER 20 Ca 0.14 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1fe0 h SER 20 Cb 0.29 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1fe0 h SER 20 CO -0.00 0.75 -0.07 0.03 -0.53 0.00 0.00 176.83 177.01 1fe0 h ARG 21 N 1.25 0.75 -0.15 2.24 3.08 -0.83 -0.83 114.38 119.89 1fe0 h ARG 21 Ca 0.37 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1fe0 h ARG 21 Cb -0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1fe0 h ARG 21 CO -0.10 0.88 -0.38 -0.39 -1.07 0.00 0.00 179.97 178.90 1fe0 h VAL 22 N 0.56 1.30 -0.19 2.04 -1.51 -1.29 -1.38 116.25 115.79 1fe0 h VAL 22 Ca 0.10 -1.49 -0.16 0.00 -1.23 0.00 0.00 66.70 63.93 1fe0 h VAL 22 Cb 0.58 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1fe0 h VAL 22 CO 0.03 0.45 -0.54 -0.07 -1.23 0.00 0.00 177.57 176.22 1fe0 h LEU 23 N 0.29 0.63 -0.85 4.19 3.38 -1.27 -2.27 115.31 119.40 1fe0 h LEU 23 Ca 0.03 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 1fe0 h LEU 23 Cb 0.81 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1fe0 h LEU 23 CO 0.06 1.04 -0.03 0.78 0.09 0.00 0.00 178.44 180.39 1fe0 h ASN 24 N 0.44 0.80 -0.64 -0.43 -0.26 -0.87 -1.40 115.58 113.22 1fe0 h ASN 24 Ca 0.01 -0.21 -0.08 0.00 -0.56 0.00 0.00 56.30 55.46 1fe0 h ASN 24 Cb 1.08 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 38.10 1fe0 h ASN 24 CO 0.10 0.88 0.08 0.50 -1.06 0.00 0.00 177.43 177.94 1fe0 h LYS 25 N 0.77 1.08 -0.52 0.81 3.64 -1.08 -2.55 116.57 118.72 1fe0 h LYS 25 Ca 0.14 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 1fe0 h LYS 25 Cb 0.50 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1fe0 h LYS 25 CO 0.03 1.01 0.22 1.25 -2.27 0.00 0.00 179.45 179.68 1fe0 h LEU 26 N 1.01 0.70 -0.06 5.20 5.85 -1.08 -3.49 115.31 123.43 1fe0 h LEU 26 Ca 0.20 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1fe0 h LEU 26 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1fe0 h LEU 26 CO 0.02 0.66 -0.13 0.61 -0.34 0.00 0.00 178.44 179.25 1fe0 n GLY 27 N -0.84 -2.36 2.69 3.75 0.00 -0.55 -4.96 105.19 102.91 1fe0 n GLY 27 Ca 0.02 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.51 -0.18 3.13 -0.02 0.00 -1.26 -5.00 105.19 99.35 1fe0 n GLY 28 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.02 0.91 -0.11 1.61 -7.23 -1.26 -4.21 120.40 107.09 1fe0 s VAL 29 Ca 0.24 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1fe0 s VAL 29 Cb -0.10 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 35.94 1fe0 s VAL 29 CO 0.29 -0.28 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.90 1fe0 s LYS 30 N -1.67 2.32 0.18 4.82 2.20 -0.54 -5.00 119.74 122.06 1fe0 s LYS 30 Ca -0.05 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 54.87 1fe0 s LYS 30 Cb -0.10 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.26 1fe0 s LYS 30 CO 0.02 -0.04 0.31 1.52 -0.36 0.00 0.00 175.35 176.79 1fe0 s TYR 31 N 0.93 0.43 -0.02 4.03 -0.85 -1.26 -0.29 117.35 120.32 1fe0 s TYR 31 Ca -0.07 -0.78 -0.01 0.00 -0.52 0.00 0.00 57.07 55.68 1fe0 s TYR 31 Cb -0.15 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.16 1fe0 s TYR 31 CO -0.01 -0.76 0.04 0.16 -1.52 0.00 0.00 175.55 173.45 1fe0 s ASP 32 N -2.99 -0.00 -0.11 -0.18 -4.77 -0.82 -5.00 116.67 102.80 1fe0 s ASP 32 Ca 0.19 0.07 0.02 0.00 -3.30 0.00 0.00 52.55 49.52 1fe0 s ASP 32 Cb 0.03 0.02 -0.01 0.00 -1.09 0.00 0.00 42.92 41.87 1fe0 s ASP 32 CO 0.02 -0.06 -0.16 -0.63 0.70 0.00 0.00 175.17 175.05 1fe0 s ILE 33 N 0.42 2.81 -0.35 2.11 1.01 -1.26 -1.73 121.20 124.20 1fe0 s ILE 33 Ca -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1fe0 s ILE 33 Cb -0.05 -2.14 0.09 0.00 0.01 0.00 0.00 42.46 40.36 1fe0 s ILE 33 CO -0.01 0.54 0.10 -0.62 0.00 0.00 0.00 174.94 174.95 1fe0 s ASP 34 N 0.16 5.03 0.00 3.58 -1.08 0.18 -5.01 116.67 119.53 1fe0 s ASP 34 Ca -0.09 -1.76 -0.25 0.00 -0.52 0.00 0.00 52.55 49.94 1fe0 s ASP 34 Cb -0.15 -1.75 -0.17 0.00 -1.46 0.00 0.00 42.92 39.39 1fe0 s ASP 34 CO 0.05 -0.41 1.24 0.25 0.52 0.00 0.00 175.17 176.83 1fe0 h LEU 35 N 7.95 -0.27 -1.00 -1.34 5.85 -1.96 -1.39 115.31 123.15 1fe0 h LEU 35 Ca -0.15 -0.22 0.16 0.00 0.84 0.00 0.00 57.88 58.52 1fe0 h LEU 35 Cb 1.05 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 1fe0 h LEU 35 CO 0.60 0.10 0.62 -0.65 -0.34 0.00 0.00 178.44 178.77 1fe0 h PRO 36 N -0.69 0.84 -0.16 5.25 0.11 -1.95 -1.37 132.00 134.04 1fe0 h PRO 36 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1fe0 h PRO 36 Cb 0.48 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1fe0 h PRO 36 CO 0.05 0.55 0.00 0.09 -0.21 0.00 0.00 178.00 178.49 1fe0 n ASN 37 N -4.71 2.33 -3.85 -2.05 3.02 -1.23 -4.97 115.26 103.80 1fe0 n ASN 37 Ca 0.22 -1.79 -0.24 0.00 -0.03 0.00 0.00 54.58 52.74 1fe0 n ASN 37 Cb 0.48 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.78 -4.01 -4.41 3.52 5.02 -0.52 -4.94 118.16 113.60 1fe0 n LYS 38 Ca 0.17 0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 56.75 1fe0 n LYS 38 Cb 0.46 -4.83 -0.13 0.00 -0.02 0.00 0.00 35.03 30.51 1fe0 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1fe0 s LYS 39 N -6.32 1.03 -0.08 1.97 1.02 -0.69 -1.58 119.74 115.10 1fe0 s LYS 39 Ca 0.03 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.21 1fe0 s LYS 39 Cb -0.01 -1.07 0.02 0.00 -0.52 0.00 0.00 37.83 36.25 1fe0 s LYS 39 CO 0.86 0.27 -0.04 0.08 -0.92 0.00 0.00 175.35 175.59 1fe0 s VAL 40 N -0.85 0.65 -0.11 3.17 1.01 -0.08 -0.64 120.40 123.56 1fe0 s VAL 40 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1fe0 s VAL 40 Cb -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1fe0 s VAL 40 CO 0.01 0.29 -0.02 0.00 0.00 0.00 0.00 175.10 175.38 1fe0 s ILE 42 N -0.37 0.62 -0.25 0.00 1.01 0.88 -1.95 121.20 121.14 1fe0 s ILE 42 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 1fe0 s ILE 42 Cb -0.12 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1fe0 s ILE 42 CO 0.02 0.25 -0.00 -0.70 0.00 0.00 0.00 174.94 174.50 1fe0 s GLU 43 N 0.91 3.14 0.19 2.79 2.12 0.60 -0.05 118.70 128.39 1fe0 s GLU 43 Ca -0.11 -0.79 -0.23 0.00 0.36 0.00 0.00 54.97 54.19 1fe0 s GLU 43 Cb -0.14 -3.13 0.05 0.00 0.26 0.00 0.00 34.13 31.17 1fe0 s GLU 43 CO 0.00 -0.33 0.74 0.45 -0.54 0.00 0.00 175.26 175.58 1fe0 s SER 44 N 1.45 -0.36 0.12 -1.70 0.15 -1.21 -1.46 113.70 110.69 1fe0 s SER 44 Ca 0.03 -0.31 0.24 0.00 0.70 0.00 0.00 55.95 56.62 1fe0 s SER 44 Cb -0.16 0.61 0.40 0.00 -1.71 0.00 0.00 66.02 65.16 1fe0 s SER 44 CO -0.01 -1.07 1.37 -0.62 1.20 0.00 0.00 173.24 174.11 1fe0 n GLU 45 N -0.41 0.28 -1.73 5.44 1.02 -1.26 -4.61 120.64 119.38 1fe0 n GLU 45 Ca -0.09 0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1fe0 n GLU 45 Cb 0.62 -1.69 0.07 0.00 -0.02 0.00 0.00 31.44 30.41 1fe0 n GLU 45 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1fe0 s HIS 46 N -3.15 2.14 0.82 -0.32 3.76 -1.26 -4.98 115.29 112.29 1fe0 s HIS 46 Ca 0.07 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 56.39 1fe0 s HIS 46 Cb 0.13 -3.59 0.08 0.00 1.11 0.00 0.00 32.58 30.32 1fe0 s HIS 46 CO 0.71 -2.68 1.09 -1.54 -0.85 0.00 0.00 174.74 171.47 1fe0 s SER 47 N -1.60 4.26 0.13 1.40 1.04 -1.26 -4.86 113.70 112.80 1fe0 s SER 47 Ca 0.79 1.40 -0.26 0.00 0.48 0.00 0.00 55.95 58.36 1fe0 s SER 47 Cb -0.34 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1fe0 s SER 47 CO 0.40 -2.13 1.62 -0.03 0.98 0.00 0.00 173.24 174.07 1fe0 h MET 48 N -1.20 -0.42 -0.94 4.02 4.05 -1.98 -2.11 114.93 116.35 1fe0 h MET 48 Ca -0.47 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.02 1fe0 h MET 48 Cb 1.27 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 32.10 1fe0 h MET 48 CO 0.57 -0.28 0.61 -0.44 0.23 0.00 0.00 176.91 177.61 1fe0 h ASP 49 N -0.43 0.99 0.07 1.39 3.32 -1.99 -0.97 116.42 118.80 1fe0 h ASP 49 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1fe0 h ASP 49 Cb 0.54 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1fe0 h ASP 49 CO -0.30 0.66 -0.03 0.74 -1.72 0.00 0.00 179.24 178.59 1fe0 h THR 50 N 1.14 0.98 -0.78 0.35 2.02 -1.83 0.87 112.91 115.68 1fe0 h THR 50 Ca 0.39 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.41 1fe0 h THR 50 Cb 0.08 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1fe0 h THR 50 CO -0.15 0.04 0.51 -0.07 0.37 0.00 0.00 175.52 176.23 1fe0 h LEU 51 N -0.17 0.89 -0.42 2.58 3.38 -1.09 -0.23 115.31 120.24 1fe0 h LEU 51 Ca -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1fe0 h LEU 51 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1fe0 h LEU 51 CO 0.02 0.64 0.14 0.25 0.09 0.00 0.00 178.44 179.58 1fe0 h LEU 52 N 1.05 0.60 -0.72 1.67 5.85 -0.98 -1.56 115.31 121.22 1fe0 h LEU 52 Ca 0.29 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1fe0 h LEU 52 Cb -0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1fe0 h LEU 52 CO -0.07 0.64 0.19 0.00 -0.34 0.00 0.00 178.44 178.86 1fe0 h ALA 53 N 0.99 0.95 -0.65 1.25 0.00 -0.47 0.10 119.26 121.42 1fe0 h ALA 53 Ca 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1fe0 h ALA 53 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1fe0 h ALA 53 CO -0.01 0.66 0.29 1.15 0.00 0.00 0.00 179.25 181.34 1fe0 h THR 54 N 1.08 1.23 -0.18 0.00 2.02 -0.83 -1.17 112.91 115.06 1fe0 h THR 54 Ca 0.23 -0.68 -0.17 0.00 0.77 0.00 0.00 66.41 66.56 1fe0 h THR 54 Cb 0.36 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1fe0 h THR 54 CO -0.00 0.28 -0.54 -0.07 0.37 0.00 0.00 175.52 175.56 1fe0 h LEU 55 N 0.91 0.78 -1.46 2.58 3.38 -1.04 -3.25 115.31 117.22 1fe0 h LEU 55 Ca 0.22 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1fe0 h LEU 55 Cb 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1fe0 h LEU 55 CO -0.02 1.24 0.02 0.11 0.09 0.00 0.00 178.44 179.87 1fe0 h LYS 56 N 0.37 0.37 0.00 1.13 1.79 -0.63 -2.51 116.57 117.09 1fe0 h LYS 56 Ca -0.02 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1fe0 h LYS 56 Cb 1.16 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1fe0 h LYS 56 CO 0.12 0.38 0.00 0.87 -1.08 0.00 0.00 179.45 179.74 1fe0 h LYS 57 N 0.36 0.00 0.00 3.15 1.57 -1.25 -2.16 116.57 118.24 1fe0 h LYS 57 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1fe0 h LYS 57 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1fe0 h LYS 57 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1fe0 h THR 58 N 0.00 0.00 0.00 -0.16 1.35 -1.58 -3.46 112.91 109.06 1fe0 h THR 58 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1fe0 h THR 58 Cb 0.21 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1fe0 h THR 58 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1fe0 n GLY 59 N -0.02 0.75 3.93 5.82 0.00 -0.81 -5.05 105.19 109.80 1fe0 n GLY 59 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.49 3.54 -0.12 1.61 1.02 -1.26 -5.04 119.74 118.99 1fe0 s LYS 60 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 1fe0 s LYS 60 Cb 0.00 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1fe0 s LYS 60 CO 0.00 0.25 1.23 0.99 -0.92 0.00 0.00 175.35 176.89 1fe0 s THR 61 N -2.11 4.29 0.03 2.17 2.01 -1.26 -4.75 115.64 116.02 1fe0 s THR 61 Ca 0.41 1.58 0.05 0.00 0.31 0.00 0.00 61.69 64.04 1fe0 s THR 61 Cb -0.10 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1fe0 s THR 61 CO 0.32 -0.08 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.32 1fe0 s VAL 62 N 2.97 1.23 -0.03 3.82 1.01 -1.26 -1.46 120.40 126.67 1fe0 s VAL 62 Ca 0.55 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1fe0 s VAL 62 Cb -0.23 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1fe0 s VAL 62 CO 0.17 0.10 0.23 -0.94 0.00 0.00 0.00 175.10 174.66 1fe0 s SER 63 N -1.01 -0.13 0.03 3.32 1.04 -0.53 -4.99 113.70 111.44 1fe0 s SER 63 Ca 0.03 0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 1fe0 s SER 63 Cb -0.08 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1fe0 s SER 63 CO 0.01 -0.30 0.77 -0.47 0.98 0.00 0.00 173.24 174.23 1fe0 s TYR 64 N -0.87 3.72 -0.16 5.02 5.04 -1.26 -0.46 117.35 128.38 1fe0 s TYR 64 Ca -0.10 1.46 0.14 0.00 -2.44 0.00 0.00 57.07 56.14 1fe0 s TYR 64 Cb -0.05 -2.83 -0.19 0.00 0.35 0.00 0.00 41.96 39.23 1fe0 s TYR 64 CO 0.02 0.24 0.05 1.28 -1.34 0.00 0.00 175.55 175.80 1fe0 n LEU 65 N 2.95 0.04 0.00 6.97 4.77 0.20 -4.90 117.00 127.03 1fe0 n LEU 65 Ca -0.02 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1fe0 n LEU 65 Cb 0.50 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1fe0 n LEU 65 CO 0.47 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1fe0 n GLY 66 N 2.03 0.49 0.00 -0.72 0.00 -1.17 -4.99 105.19 100.84 1fe0 n GLY 66 Ca -0.26 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1fe0 n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36