#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f42 h LEU 9 N 0.00 -1.07 -0.59 0.99 7.12 -2.08 0.18 115.31 119.85 3f42 h LEU 9 Ca 0.00 0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.09 3f42 h LEU 9 Cb 0.00 0.31 -0.04 0.00 -0.53 0.00 0.00 40.66 40.40 3f42 h LEU 9 CO 0.00 -0.65 0.37 -0.07 -0.13 0.00 0.00 178.44 177.96 3f42 h LEU 10 N -1.04 0.61 -0.47 2.25 3.38 -2.06 -2.80 115.31 115.17 3f42 h LEU 10 Ca -0.09 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3f42 h LEU 10 Cb 0.83 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3f42 h LEU 10 CO 0.09 0.43 0.21 0.44 0.09 0.00 0.00 178.44 179.70 3f42 h ASP 11 N 0.74 0.64 0.00 -0.43 5.19 -2.06 0.81 116.42 121.31 3f42 h ASP 11 Ca 0.23 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3f42 h ASP 11 Cb -0.01 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.34 3f42 h ASP 11 CO -0.09 0.61 0.00 0.61 -3.12 0.00 0.00 179.24 177.25 3f42 n GLY 12 N -0.84 0.18 2.51 2.75 0.00 0.63 -1.31 105.19 109.11 3f42 n GLY 12 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3f42 n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3f42 n LYS 14 N 0.70 0.00 0.05 1.61 5.02 0.28 -1.92 118.16 123.90 3f42 n LYS 14 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3f42 n LYS 14 Cb 0.04 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.29 3f42 n LYS 14 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3f42 h LYS 15 N 0.00 0.38 0.00 1.97 1.57 -1.46 -2.96 116.57 116.07 3f42 h LYS 15 Ca 0.00 -0.14 -0.21 0.00 -1.87 0.00 0.00 60.65 58.44 3f42 h LYS 15 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3f42 h LYS 15 CO 0.00 0.61 -0.98 1.49 -0.57 0.00 0.00 179.45 180.00 3f42 h GLU 16 N 0.34 0.00 -0.04 3.15 4.81 -1.66 -3.22 114.58 117.96 3f42 h GLU 16 Ca 0.05 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3f42 h GLU 16 Cb 0.63 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3f42 h GLU 16 CO 0.05 0.98 -0.21 0.74 -0.73 0.00 0.00 179.01 179.84 3f42 h PHE 17 N 0.00 0.07 0.00 0.92 0.04 -1.82 -2.06 116.94 114.08 3f42 h PHE 17 Ca -0.01 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 3f42 h PHE 17 Cb 1.74 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.85 3f42 h PHE 17 CO 0.00 0.27 -0.41 0.77 -0.60 0.00 0.00 178.31 178.34 3f42 h SER 18 N 0.06 0.00 -0.45 2.17 0.02 -1.54 -2.96 113.55 110.86 3f42 h SER 18 Ca 0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 3f42 h SER 18 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3f42 h SER 18 CO 0.03 0.41 -0.26 1.56 -1.14 0.00 0.00 176.83 177.43 3f42 h GLN 19 N 0.00 0.98 -2.03 3.45 4.20 -1.42 -3.07 115.11 117.22 3f42 h GLN 19 Ca -0.00 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.18 3f42 h GLN 19 Cb 0.79 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 3f42 h GLN 19 CO 0.05 1.11 -0.16 1.28 -0.67 0.00 0.00 178.83 180.44 3f42 n LEU 20 N -4.09 4.96 0.00 1.46 4.77 -1.03 -3.84 117.00 119.23 3f42 n LEU 20 Ca -0.00 -2.63 -0.01 0.00 -0.03 0.00 0.00 56.01 53.34 3f42 n LEU 20 Cb 0.48 -1.19 -0.00 0.00 -2.33 0.00 0.00 43.42 40.38 3f42 n LEU 20 CO 0.47 1.25 -0.44 -0.62 -1.33 0.00 0.00 177.39 176.71 3f42 n GLU 21 N 2.02 0.02 0.25 3.23 -0.58 -1.16 -4.12 120.64 120.29 3f42 n GLU 21 Ca 0.20 0.01 0.09 0.00 -0.42 0.00 0.00 57.16 57.04 3f42 n GLU 21 Cb 0.66 -0.53 0.63 0.00 -0.57 0.00 0.00 31.44 31.63 3f42 n GLU 21 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3f42 h GLU 22 N -0.03 0.00 0.23 3.49 4.39 -1.76 0.33 114.58 121.23 3f42 h GLU 22 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3f42 h GLU 22 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3f42 h GLU 22 CO -0.01 0.15 -0.11 1.57 -1.16 0.00 0.00 179.01 179.44 3f42 h LYS 23 N 0.00 -0.30 -0.12 2.33 5.09 -1.84 -3.35 116.57 118.37 3f42 h LYS 23 Ca -0.00 0.02 0.05 0.00 0.09 0.00 0.00 60.65 60.81 3f42 h LYS 23 Cb 0.31 0.07 -0.06 0.00 0.10 0.00 0.00 32.23 32.65 3f42 h LYS 23 CO 0.02 0.06 -0.26 -2.95 -2.09 0.00 0.00 179.45 174.23 3f42 h ASN 24 N -0.90 -0.79 -0.42 7.07 -0.00 -1.55 -2.72 115.58 116.25 3f42 h ASN 24 Ca -0.03 0.12 0.12 0.00 -0.00 0.00 0.00 56.30 56.52 3f42 h ASN 24 Cb 0.50 0.35 -0.02 0.00 -0.00 0.00 0.00 38.32 39.15 3f42 h ASN 24 CO 0.05 -0.31 0.38 0.11 -0.00 0.00 0.00 177.43 177.67 3f42 h LYS 25 N -0.33 0.00 0.00 4.14 1.79 -0.53 -0.02 116.57 121.62 3f42 h LYS 25 Ca 0.10 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.36 3f42 h LYS 25 Cb 0.48 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 3f42 h LYS 25 CO -0.31 0.00 -1.64 -0.40 -1.08 0.00 0.00 179.45 176.02 3f42 n ASP 26 N -3.98 0.68 -4.71 0.86 5.75 -1.05 -4.61 116.55 109.48 3f42 n ASP 26 Ca 0.07 0.30 -0.42 0.00 -0.01 0.00 0.00 54.79 54.74 3f42 n ASP 26 Cb 0.57 0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 41.00 3f42 n ASP 26 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3f42 s THR 27 N -2.85 4.35 -0.07 2.12 2.01 -0.31 -4.94 115.64 115.96 3f42 s THR 27 Ca -0.05 1.71 0.04 0.00 0.31 0.00 0.00 61.69 63.71 3f42 s THR 27 Cb 0.09 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 3f42 s THR 27 CO 0.82 0.14 -0.20 -0.63 -0.69 0.00 0.00 174.62 174.07 3f42 s ILE 28 N 0.94 1.72 -0.07 1.82 1.01 -1.26 -1.66 121.20 123.70 3f42 s ILE 28 Ca 0.55 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.39 3f42 s ILE 28 Cb -0.26 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3f42 s ILE 28 CO 0.29 0.49 -0.19 -2.28 0.00 0.00 0.00 174.94 173.24 3f42 s HIS 29 N 0.18 2.05 -0.10 3.97 2.46 -0.37 -4.98 115.29 118.49 3f42 s HIS 29 Ca -0.10 -0.74 -0.01 0.00 0.47 0.00 0.00 55.06 54.68 3f42 s HIS 29 Cb -0.15 -1.39 -0.03 0.00 -0.13 0.00 0.00 32.58 30.88 3f42 s HIS 29 CO 0.05 -0.30 -0.06 0.99 -2.47 0.00 0.00 174.74 172.95 3f42 s THR 30 N 0.30 3.73 -0.02 0.89 2.01 -1.26 -1.38 115.64 119.91 3f42 s THR 30 Ca -0.12 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.50 3f42 s THR 30 Cb -0.15 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 3f42 s THR 30 CO 0.05 0.56 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.88 3f42 s SER 31 N -0.32 2.60 0.18 3.53 0.01 0.34 -4.98 113.70 115.05 3f42 s SER 31 Ca 0.05 -0.40 0.10 0.00 1.31 0.00 0.00 55.95 57.00 3f42 s SER 31 Cb -0.13 -0.36 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 3f42 s SER 31 CO 0.02 0.26 -0.20 -0.54 0.41 0.00 0.00 173.24 173.19 3f42 s LYS 32 N -0.45 1.37 0.30 12.44 1.02 -1.26 -1.19 119.74 131.97 3f42 s LYS 32 Ca 0.07 -1.46 -0.07 0.00 0.02 0.00 0.00 55.97 54.53 3f42 s LYS 32 Cb -0.09 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 3f42 s LYS 32 CO -0.00 0.32 0.48 -1.54 -0.92 0.00 0.00 175.35 173.68 3f42 s SER 33 N -2.68 0.40 -1.29 2.83 1.04 -0.51 -4.75 113.70 108.74 3f42 s SER 33 Ca 0.18 -1.24 -0.05 0.00 0.48 0.00 0.00 55.95 55.32 3f42 s SER 33 Cb -0.07 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3f42 s SER 33 CO 0.08 -1.24 1.09 0.61 0.98 0.00 0.00 173.24 174.76 3f42 n GLY 34 N -0.47 -0.46 2.40 7.32 0.00 -1.26 -1.45 105.19 111.27 3f42 n GLY 34 Ca -0.01 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3f42 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f42 n GLY 35 N -1.60 -0.34 0.79 -0.02 0.00 -1.26 -4.53 105.19 98.24 3f42 n GLY 35 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3f42 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f42 n GLY 36 N -0.99 0.22 0.00 -0.02 0.00 -0.69 -5.19 105.19 98.52 3f42 n GLY 36 Ca -0.24 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3f42 n GLY 36 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f42 n VAL 38 N -0.52 0.00 -4.06 1.61 0.31 -0.53 -4.84 118.33 110.30 3f42 n VAL 38 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3f42 n VAL 38 Cb 0.26 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.04 3f42 n VAL 38 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3f42 s SER 39 N 0.00 0.55 0.06 4.52 0.15 -0.56 -1.43 113.70 117.00 3f42 s SER 39 Ca 0.00 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.62 3f42 s SER 39 Cb 0.00 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 3f42 s SER 39 CO 0.00 -0.02 -0.11 0.68 1.20 0.00 0.00 173.24 174.99 3f42 s VAL 40 N 0.50 0.85 -0.03 4.45 -7.23 -0.33 -0.69 120.40 117.90 3f42 s VAL 40 Ca -0.05 -1.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 3f42 s VAL 40 Cb -0.09 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 35.95 3f42 s VAL 40 CO -0.01 -0.33 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.92 3f42 s SER 41 N -1.76 1.23 0.04 4.85 0.01 -0.29 -0.51 113.70 117.28 3f42 s SER 41 Ca -0.05 -0.19 0.07 0.00 1.31 0.00 0.00 55.95 57.09 3f42 s SER 41 Cb -0.09 -0.40 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 3f42 s SER 41 CO 0.01 0.04 -0.17 -0.36 0.41 0.00 0.00 173.24 173.18 3f42 s PHE 42 N 0.36 2.59 0.85 2.43 0.08 -0.48 -0.70 117.98 123.12 3f42 s PHE 42 Ca -0.06 -0.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.68 3f42 s PHE 42 Cb -0.10 -1.47 0.17 0.00 -0.57 0.00 0.00 43.02 41.05 3f42 s PHE 42 CO 0.01 0.28 1.17 0.54 -0.10 0.00 0.00 175.22 177.11 3f42 s ASN 43 N -1.50 3.65 0.32 1.36 2.20 -0.51 -1.23 114.94 119.23 3f42 s ASN 43 Ca 0.15 -0.13 0.26 0.00 -0.94 0.00 0.00 52.86 52.20 3f42 s ASN 43 Cb -0.11 -0.04 1.04 0.00 -2.00 0.00 0.00 41.25 40.14 3f42 s ASN 43 CO 0.06 -2.35 1.77 1.23 -2.94 0.00 0.00 177.10 174.88 3f42 h GLY 44 N -1.10 0.00 1.36 0.45 0.00 -0.13 -1.39 103.07 102.26 3f42 h GLY 44 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3f42 h GLY 44 CO 0.37 0.00 -0.09 1.04 0.00 0.00 0.00 176.54 177.86 3f42 n LEU 45 N -2.44 0.22 0.00 3.11 4.77 -1.26 -4.81 117.00 116.59 3f42 n LEU 45 Ca 0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3f42 n LEU 45 Cb 0.27 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3f42 n LEU 45 CO 0.22 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3f42 n GLY 46 N 1.34 0.67 3.74 -0.72 0.00 -0.52 -5.05 105.19 104.65 3f42 n GLY 46 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3f42 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f42 s GLU 47 N -0.33 4.77 -0.38 1.61 2.02 -1.26 -4.84 118.70 120.29 3f42 s GLU 47 Ca 0.00 1.52 -0.26 0.00 0.02 0.00 0.00 54.97 56.25 3f42 s GLU 47 Cb 0.00 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.94 3f42 s GLU 47 CO 0.00 0.37 0.94 -1.17 0.02 0.00 0.00 175.26 175.41 3f42 s LEU 48 N -0.77 3.98 0.00 1.80 2.96 -1.26 -1.42 118.68 123.97 3f42 s LEU 48 Ca 0.44 0.54 0.08 0.00 -0.22 0.00 0.00 54.13 54.97 3f42 s LEU 48 Cb -0.26 -3.27 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 3f42 s LEU 48 CO 0.32 -0.89 0.35 1.33 -1.32 0.00 0.00 176.35 176.15 3f42 n VAL 49 N 6.04 0.00 -3.70 1.68 0.24 0.13 -4.99 118.33 117.73 3f42 n VAL 49 Ca 0.07 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3f42 n VAL 49 Cb 0.48 1.01 -0.09 0.00 -1.47 0.00 0.00 33.84 33.77 3f42 n VAL 49 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3f42 s ASP 50 N -1.71 -0.46 -0.16 -1.34 2.15 -1.12 -4.96 116.67 109.07 3f42 s ASP 50 Ca 0.03 0.76 -0.08 0.00 0.43 0.00 0.00 52.55 53.69 3f42 s ASP 50 Cb 0.06 0.79 0.06 0.00 -0.30 0.00 0.00 42.92 43.54 3f42 s ASP 50 CO 0.32 -0.28 0.38 -0.22 -0.17 0.00 0.00 175.17 175.21 3f42 s LEU 51 N -0.24 -0.13 -0.02 -1.34 0.20 -1.26 -1.14 118.68 114.75 3f42 s LEU 51 Ca -0.04 0.85 0.00 0.00 0.69 0.00 0.00 54.13 55.63 3f42 s LEU 51 Cb -0.03 1.24 0.02 0.00 -0.43 0.00 0.00 46.19 46.99 3f42 s LEU 51 CO 0.02 -0.20 0.01 -1.10 -0.29 0.00 0.00 176.35 174.80 3f42 s GLN 52 N 1.63 0.09 -0.11 1.98 -1.52 0.13 -5.02 119.66 116.84 3f42 s GLN 52 Ca -0.08 0.12 0.03 0.00 -1.95 0.00 0.00 55.36 53.48 3f42 s GLN 52 Cb -0.09 -0.30 0.01 0.00 -0.22 0.00 0.00 33.01 32.41 3f42 s GLN 52 CO -0.12 -0.13 -0.20 0.42 -0.25 0.00 0.00 175.29 175.01 3f42 s ILE 53 N 0.90 1.81 0.23 1.08 1.01 -1.26 -1.49 121.20 123.48 3f42 s ILE 53 Ca -0.08 -0.85 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 3f42 s ILE 53 Cb -0.11 -1.61 -0.11 0.00 0.01 0.00 0.00 42.46 40.64 3f42 s ILE 53 CO -0.02 0.50 1.60 -0.62 0.00 0.00 0.00 174.94 176.40 3f42 s ASP 54 N 0.72 6.48 0.49 3.58 -1.08 -1.26 -4.89 116.67 120.70 3f42 s ASP 54 Ca -0.11 2.79 0.30 0.00 -0.52 0.00 0.00 52.55 55.02 3f42 s ASP 54 Cb -0.16 -2.61 1.40 0.00 -1.46 0.00 0.00 42.92 40.08 3f42 s ASP 54 CO 0.02 -0.87 1.77 0.44 0.52 0.00 0.00 175.17 177.05 3f42 h ASP 55 N 5.91 0.17 -0.37 -0.34 3.32 -2.03 -0.84 116.42 122.24 3f42 h ASP 55 Ca -0.45 0.04 0.08 0.00 0.02 0.00 0.00 57.03 56.72 3f42 h ASP 55 Cb 1.21 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3f42 h ASP 55 CO 0.87 0.02 0.26 0.28 -1.72 0.00 0.00 179.24 178.94 3f42 h SER 56 N 0.14 0.14 1.15 6.45 0.02 -2.04 -1.49 113.55 117.92 3f42 h SER 56 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 3f42 h SER 56 Cb 2.07 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.58 3f42 h SER 56 CO -0.14 0.09 0.00 -0.07 -1.14 0.00 0.00 176.83 175.57 3f42 h LEU 57 N 0.16 0.00 -1.11 5.07 3.38 -1.52 -2.76 115.31 118.52 3f42 h LEU 57 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3f42 h LEU 57 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3f42 h LEU 57 CO -0.02 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.44 3f42 h LEU 58 N 0.00 0.00 -0.00 1.67 3.38 -1.41 -1.10 115.31 117.85 3f42 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f42 h LEU 58 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3f42 h LEU 58 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3f42 n GLU 59 N -2.29 0.00 -3.08 1.13 1.02 -1.04 -4.46 120.64 111.93 3f42 n GLU 59 Ca 0.00 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 3f42 n GLU 59 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 3f42 n GLU 59 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3f42 s ASP 60 N -3.01 -0.07 0.26 1.62 -1.08 -0.42 -5.03 116.67 108.94 3f42 s ASP 60 Ca 0.13 -2.28 -0.03 0.00 -0.52 0.00 0.00 52.55 49.85 3f42 s ASP 60 Cb 0.18 0.82 0.40 0.00 -1.46 0.00 0.00 42.92 42.86 3f42 s ASP 60 CO 0.50 -0.12 1.85 0.50 0.52 0.00 0.00 175.17 178.43 3f42 h LYS 61 N 5.43 0.99 -0.35 4.34 3.64 -1.78 -2.67 116.57 126.17 3f42 h LYS 61 Ca 0.15 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3f42 h LYS 61 Cb 1.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3f42 h LYS 61 CO 0.18 0.65 0.13 0.93 -2.27 0.00 0.00 179.45 179.08 3f42 h GLU 62 N 1.02 0.53 -1.77 1.90 4.39 -1.95 0.80 114.58 119.49 3f42 h GLU 62 Ca 0.42 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3f42 h GLU 62 Cb 0.25 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3f42 h GLU 62 CO -0.20 0.53 0.00 0.00 -1.16 0.00 0.00 179.01 178.18 3f42 n ALA 63 N -2.29 1.75 0.00 3.43 0.00 -1.01 -1.89 120.51 120.49 3f42 n ALA 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3f42 n ALA 63 Cb 0.15 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3f42 n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3f42 n GLN 65 N 0.91 0.00 -0.01 0.00 6.02 0.27 -0.64 117.38 123.93 3f42 n GLN 65 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 3f42 n GLN 65 Cb 0.12 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.33 3f42 n GLN 65 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3f42 h ILE 66 N 0.00 1.04 -0.54 5.09 2.04 -1.63 -2.78 117.51 120.73 3f42 h ILE 66 Ca 0.00 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 3f42 h ILE 66 Cb 0.00 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3f42 h ILE 66 CO 0.00 0.04 0.02 1.88 0.00 0.00 0.00 178.15 180.09 3f42 h TYR 67 N 0.15 0.97 0.00 1.37 0.05 -1.16 -0.99 116.97 117.36 3f42 h TYR 67 Ca 0.04 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3f42 h TYR 67 Cb -0.00 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.47 3f42 h TYR 67 CO -0.07 0.87 0.00 1.28 -1.05 0.00 0.00 178.16 179.20 3f42 n LEU 68 N -4.20 0.00 0.00 3.88 4.77 -1.05 -1.38 117.00 119.01 3f42 n LEU 68 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3f42 n LEU 68 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3f42 n LEU 68 CO 0.42 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.24 3f42 n SER 70 N 0.58 0.00 -0.14 -1.43 2.88 -0.38 -1.49 113.62 113.64 3f42 n SER 70 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3f42 n SER 70 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3f42 n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3f42 h ALA 71 N 0.00 0.54 -0.34 -1.46 0.00 -1.50 -1.23 119.26 115.28 3f42 h ALA 71 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3f42 h ALA 71 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3f42 h ALA 71 CO 0.00 0.24 0.15 -0.07 0.00 0.00 0.00 179.25 179.57 3f42 h LEU 72 N 0.53 0.45 -0.86 0.00 3.38 -1.51 -1.14 115.31 116.16 3f42 h LEU 72 Ca 0.13 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3f42 h LEU 72 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3f42 h LEU 72 CO 0.00 0.47 -0.06 0.78 0.09 0.00 0.00 178.44 179.73 3f42 h ASN 73 N 0.40 0.76 -0.44 -0.43 2.35 -1.78 -0.66 115.58 115.79 3f42 h ASN 73 Ca 0.11 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3f42 h ASN 73 Cb 0.15 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3f42 h ASN 73 CO -0.01 0.87 0.27 0.44 -1.65 0.00 0.00 177.43 177.35 3f42 h ASP 74 N 0.72 0.52 -0.58 5.81 3.32 -0.96 0.87 116.42 126.12 3f42 h ASP 74 Ca 0.13 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3f42 h ASP 74 Cb 0.53 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3f42 h ASP 74 CO 0.03 0.41 0.01 1.23 -1.72 0.00 0.00 179.24 179.20 3f42 h GLY 75 N 0.59 1.10 1.10 2.75 0.00 -0.88 -1.79 103.07 105.94 3f42 h GLY 75 Ca 0.16 -0.80 -0.17 0.00 0.00 0.00 0.00 47.33 46.52 3f42 h GLY 75 CO -0.03 0.74 -0.47 -1.82 0.00 0.00 0.00 176.54 174.96 3f42 h TYR 76 N 0.91 1.04 -0.84 5.60 3.20 -1.00 -1.90 116.97 123.98 3f42 h TYR 76 Ca 0.17 -0.36 0.12 0.00 3.14 0.00 0.00 58.73 61.80 3f42 h TYR 76 Cb 0.54 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 3f42 h TYR 76 CO 0.04 1.17 0.46 -0.22 -1.64 0.00 0.00 178.16 177.97 3f42 h LYS 77 N 0.62 0.69 -0.42 1.82 3.64 -0.65 0.06 116.57 122.32 3f42 h LYS 77 Ca 0.03 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3f42 h LYS 77 Cb 1.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 3f42 h LYS 77 CO 0.11 0.45 0.16 0.00 -2.27 0.00 0.00 179.45 177.90 3f42 h ALA 78 N 1.51 0.55 -0.50 5.00 0.00 -0.90 0.21 119.26 125.13 3f42 h ALA 78 Ca 0.43 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3f42 h ALA 78 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3f42 h ALA 78 CO -0.31 0.16 0.31 0.28 0.00 0.00 0.00 179.25 179.70 3f42 h VAL 79 N 0.53 1.09 -0.38 0.00 2.07 -0.57 -1.74 116.25 117.25 3f42 h VAL 79 Ca 0.14 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3f42 h VAL 79 Cb 0.21 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3f42 h VAL 79 CO -0.01 0.12 -0.15 -0.33 0.02 0.00 0.00 177.57 177.22 3f42 h GLU 80 N 0.63 0.77 -0.80 1.57 4.39 -0.77 -1.77 114.58 118.61 3f42 h GLU 80 Ca 0.19 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 3f42 h GLU 80 Cb -0.03 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 3f42 h GLU 80 CO -0.07 0.94 0.38 0.93 -1.16 0.00 0.00 179.01 180.03 3f42 h GLU 81 N 0.57 1.15 -0.18 2.33 5.08 -0.81 -0.38 114.58 122.35 3f42 h GLU 81 Ca 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3f42 h GLU 81 Cb 0.69 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3f42 h GLU 81 CO 0.05 0.89 0.12 -0.97 -1.00 0.00 0.00 179.01 178.10 3f42 h ASN 82 N 1.13 0.20 -0.37 1.42 -0.73 -1.21 0.20 115.58 116.22 3f42 h ASN 82 Ca 0.27 -0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.50 3f42 h ASN 82 Cb 0.13 -0.05 -0.06 0.00 0.27 0.00 0.00 38.32 38.61 3f42 h ASN 82 CO -0.03 0.15 -0.00 0.03 -0.37 0.00 0.00 177.43 177.20 3f42 h ARG 83 N 0.24 0.09 -0.25 6.67 3.08 -0.89 -1.68 114.38 121.64 3f42 h ARG 83 Ca 0.07 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 3f42 h ARG 83 Cb -0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3f42 h ARG 83 CO -0.02 0.06 -0.49 0.87 -1.07 0.00 0.00 179.97 179.33 3f42 h LYS 84 N 0.10 0.77 -0.25 0.04 1.57 -0.81 -2.65 116.57 115.35 3f42 h LYS 84 Ca 0.18 -0.50 -0.16 0.00 -1.87 0.00 0.00 60.65 58.30 3f42 h LYS 84 Cb 0.25 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3f42 h LYS 84 CO -0.30 1.12 -0.49 -0.91 -0.57 0.00 0.00 179.45 178.30 3f42 h ASN 85 N 0.52 0.75 0.03 0.86 2.35 -0.53 0.61 115.58 120.17 3f42 h ASN 85 Ca 0.01 -0.37 -0.12 0.00 -0.55 0.00 0.00 56.30 55.27 3f42 h ASN 85 Cb 1.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3f42 h ASN 85 CO 0.11 1.11 -0.38 -0.07 -1.65 0.00 0.00 177.43 176.55 3f42 h LEU 86 N 0.54 0.48 -0.45 1.61 3.38 -1.35 -2.49 115.31 117.04 3f42 h LEU 86 Ca 0.03 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 3f42 h LEU 86 Cb 1.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3f42 h LEU 86 CO 0.10 0.82 -0.39 0.00 0.09 0.00 0.00 178.44 179.06 3f42 h ALA 87 N 1.21 0.63 -0.79 1.53 0.00 -1.17 -3.21 119.26 117.45 3f42 h ALA 87 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3f42 h ALA 87 Cb 0.85 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3f42 h ALA 87 CO 0.07 0.67 0.41 0.35 0.00 0.00 0.00 179.25 180.75 3f42 h PHE 88 N 0.71 1.10 0.00 0.00 3.57 -0.75 -3.24 116.94 118.34 3f42 h PHE 88 Ca 0.06 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3f42 h PHE 88 Cb 0.97 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3f42 h PHE 88 CO 0.06 0.78 0.00 0.09 -2.23 0.00 0.00 178.31 177.01 3f42 n ASN 89 N -4.40 3.30 0.00 0.41 5.03 -0.95 -5.10 115.26 113.55 3f42 n ASN 89 Ca 0.07 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.67 3f42 n ASN 89 Cb 0.11 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.23 3f42 n ASN 89 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43