#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrf s GLN 2 N 0.00 4.54 0.34 -1.24 0.74 -1.26 -2.02 119.66 120.75 1wrf s GLN 2 Ca 0.00 1.18 0.07 0.00 0.05 0.00 0.00 55.36 56.66 1wrf s GLN 2 Cb 0.00 -3.05 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 1wrf s GLN 2 CO 0.00 0.44 0.32 0.14 -0.55 0.00 0.00 175.29 175.65 1wrf s VAL 3 N -1.37 3.51 -0.21 1.34 -7.23 -1.26 -4.00 120.40 111.17 1wrf s VAL 3 Ca 0.42 -1.32 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 1wrf s VAL 3 Cb -0.21 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1wrf s VAL 3 CO 0.25 -0.16 0.58 -0.62 -0.31 0.00 0.00 175.10 174.85 1wrf s ASP 4 N -4.03 6.60 0.06 4.85 2.15 -1.26 -4.95 116.67 120.09 1wrf s ASP 4 Ca 0.42 0.73 -0.11 0.00 0.43 0.00 0.00 52.55 54.02 1wrf s ASP 4 Cb -0.06 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.25 1wrf s ASP 4 CO 0.27 -0.26 0.24 0.68 -0.17 0.00 0.00 175.17 175.93 1wrf s VAL 5 N 1.96 0.11 -0.30 1.11 -7.23 -1.26 -3.90 120.40 110.89 1wrf s VAL 5 Ca 0.26 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1wrf s VAL 5 Cb -0.16 -1.04 0.08 0.00 0.56 0.00 0.00 36.38 35.82 1wrf s VAL 5 CO 0.10 -0.49 -0.04 -0.54 -0.31 0.00 0.00 175.10 173.82 1wrf s LYS 6 N -2.97 1.89 0.37 4.82 -0.14 -0.62 -4.90 119.74 118.19 1wrf s LYS 6 Ca -0.02 -1.58 -0.27 0.00 -1.36 0.00 0.00 55.97 52.74 1wrf s LYS 6 Cb 0.01 -3.03 -0.12 0.00 -1.68 0.00 0.00 37.83 33.01 1wrf s LYS 6 CO -0.06 -0.74 1.22 -0.25 -0.76 0.00 0.00 175.35 174.76 1wrf n ASP 7 N 4.35 2.36 -0.00 2.83 9.92 -1.26 -2.89 116.55 131.86 1wrf n ASP 7 Ca -0.06 1.16 0.04 0.00 -0.53 0.00 0.00 54.79 55.40 1wrf n ASP 7 Cb 0.42 -1.45 -0.05 0.00 -0.64 0.00 0.00 41.12 39.40 1wrf n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wrf n ALA 9 N -1.31 -0.03 -2.28 0.00 0.00 -1.26 -4.89 120.51 110.74 1wrf n ALA 9 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 1wrf n ALA 9 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1wrf n ALA 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wrf n ASN 10 N -0.59 -0.06 -0.48 0.00 2.85 -1.26 -4.93 115.26 110.79 1wrf n ASN 10 Ca 0.00 -0.83 -0.04 0.00 -0.11 0.00 0.00 54.58 53.60 1wrf n ASN 10 Cb 0.00 0.03 -0.00 0.00 1.24 0.00 0.00 39.78 41.04 1wrf n ASN 10 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wrf n ASN 11 N -0.05 -1.98 0.03 1.20 2.85 -1.26 -4.97 115.26 111.08 1wrf n ASN 11 Ca -0.01 -0.01 -0.03 0.00 -0.11 0.00 0.00 54.58 54.43 1wrf n ASN 11 Cb 0.46 -1.37 -0.01 0.00 1.24 0.00 0.00 39.78 40.09 1wrf n ASN 11 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1wrf h GLU 12 N -0.01 -0.16 -6.39 1.20 4.39 -1.92 -3.44 114.58 108.26 1wrf h GLU 12 Ca -0.10 0.01 -0.53 0.00 0.34 0.00 0.00 59.36 59.08 1wrf h GLU 12 Cb 1.07 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1wrf h GLU 12 CO 0.12 -0.11 1.16 0.42 -1.16 0.00 0.00 179.01 179.44 1wrf s ILE 13 N -2.05 2.98 0.37 3.13 1.01 -1.26 -3.17 121.20 122.22 1wrf s ILE 13 Ca -0.02 0.17 0.12 0.00 0.00 0.00 0.00 60.65 60.91 1wrf s ILE 13 Cb 0.00 -3.11 0.10 0.00 0.01 0.00 0.00 42.46 39.47 1wrf s ILE 13 CO 0.07 -0.01 1.84 0.11 0.00 0.00 0.00 174.94 176.95 1wrf h LYS 14 N 9.76 0.04 0.00 2.79 1.79 -0.96 -3.46 116.57 126.53 1wrf h LYS 14 Ca -0.47 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1wrf h LYS 14 Cb 1.22 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1wrf h LYS 14 CO 0.94 0.37 0.00 0.36 -1.08 0.00 0.00 179.45 180.05 1wrf n LYS 15 N -4.13 0.00 -4.73 3.15 2.85 -1.25 -5.01 118.16 109.04 1wrf n LYS 15 Ca -0.02 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.92 1wrf n LYS 15 Cb 0.38 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 34.60 1wrf n LYS 15 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wrf s VAL 16 N -0.13 1.98 0.25 0.58 0.11 -1.26 -3.20 120.40 118.74 1wrf s VAL 16 Ca 0.00 -0.94 0.08 0.00 -2.93 0.00 0.00 61.98 58.19 1wrf s VAL 16 Cb 0.00 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 1wrf s VAL 16 CO 0.00 0.54 0.08 -0.04 -3.33 0.00 0.00 175.10 172.35 1wrf s MET 17 N 0.76 2.59 0.09 1.54 -1.94 -0.79 -4.27 119.30 117.27 1wrf s MET 17 Ca -0.09 -1.22 0.10 0.00 -1.71 0.00 0.00 55.69 52.77 1wrf s MET 17 Cb -0.16 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.28 1wrf s MET 17 CO -0.00 0.39 -0.26 0.08 -0.01 0.00 0.00 175.02 175.22 1wrf s VAL 18 N -2.17 2.13 -0.98 -6.03 1.01 -0.86 -1.75 120.40 111.75 1wrf s VAL 18 Ca 0.32 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.71 1wrf s VAL 18 Cb -0.07 -1.86 0.33 0.00 0.00 0.00 0.00 36.38 34.77 1wrf s VAL 18 CO 0.22 0.18 1.85 0.47 0.00 0.00 0.00 175.10 177.82 1wrf n ASP 19 N 1.30 7.34 -0.48 3.32 9.92 -1.00 -2.81 116.55 134.13 1wrf n ASP 19 Ca -0.18 -3.72 -0.01 0.00 -0.53 0.00 0.00 54.79 50.35 1wrf n ASP 19 Cb 0.53 -1.13 -0.01 0.00 -0.64 0.00 0.00 41.12 39.86 1wrf n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wrf n GLY 20 N -0.16 -0.21 0.00 0.44 0.00 -1.26 -4.91 105.19 99.09 1wrf n GLY 20 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1wrf n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrf n HIS 22 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -4.84 115.22 109.12 1wrf n HIS 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1wrf n HIS 22 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1wrf n HIS 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wrf n GLY 23 N 0.49 0.65 0.38 -1.41 0.00 -1.26 -4.52 105.19 99.53 1wrf n GLY 23 Ca 0.00 -1.52 0.31 0.00 0.00 0.00 0.00 46.02 44.81 1wrf n GLY 23 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wrf h SER 24 N 0.00 0.36 -2.27 1.61 0.87 -1.94 -3.41 113.55 108.77 1wrf h SER 24 Ca 0.00 0.19 -0.44 0.00 -1.23 0.00 0.00 61.79 60.31 1wrf h SER 24 Cb 0.00 0.17 0.23 0.00 -0.44 0.00 0.00 62.40 62.36 1wrf h SER 24 CO 0.00 -0.23 -1.05 0.47 -0.53 0.00 0.00 176.83 175.49 1wrf n ASP 25 N -4.97 -2.42 -4.81 6.23 9.92 -1.26 -4.92 116.55 114.32 1wrf n ASP 25 Ca 0.35 -0.16 -0.33 0.00 -0.53 0.00 0.00 54.79 54.12 1wrf n ASP 25 Cb 1.23 -0.94 -0.01 0.00 -0.64 0.00 0.00 41.12 40.76 1wrf n ASP 25 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wrf s PRO 26 N -3.47 3.54 -0.08 -0.24 0.04 -1.26 -4.80 135.00 128.73 1wrf s PRO 26 Ca 0.55 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1wrf s PRO 26 Cb -0.11 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1wrf s PRO 26 CO 0.64 -0.62 -0.11 0.00 0.04 0.00 0.00 177.00 176.95 1wrf s ILE 28 N -0.36 3.52 -0.23 0.00 -1.09 -1.25 -0.76 121.20 121.03 1wrf s ILE 28 Ca 0.04 -1.39 -0.21 0.00 -2.23 0.00 0.00 60.65 56.86 1wrf s ILE 28 Cb -0.12 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.65 1wrf s ILE 28 CO 0.02 -0.28 0.65 -0.63 -1.23 0.00 0.00 174.94 173.47 1wrf s ILE 29 N 1.32 4.99 0.03 2.92 1.01 -0.76 -4.83 121.20 125.87 1wrf s ILE 29 Ca -0.01 1.20 -0.25 0.00 0.00 0.00 0.00 60.65 61.59 1wrf s ILE 29 Cb -0.21 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1wrf s ILE 29 CO 0.00 0.06 0.76 -1.00 0.00 0.00 0.00 174.94 174.76 1wrf s HIS 30 N 2.26 3.71 0.36 3.97 3.76 -1.26 -2.03 115.29 126.06 1wrf s HIS 30 Ca 0.28 1.45 -0.28 0.00 -0.15 0.00 0.00 55.06 56.36 1wrf s HIS 30 Cb -0.16 -2.82 -0.12 0.00 1.11 0.00 0.00 32.58 30.59 1wrf s HIS 30 CO 0.09 0.24 1.38 0.54 -0.85 0.00 0.00 174.74 176.15 1wrf n ARG 31 N 2.95 2.37 -0.73 1.40 1.74 -1.19 -1.35 116.66 121.85 1wrf n ARG 31 Ca -0.02 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1wrf n ARG 31 Cb 0.50 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1wrf n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wrf n GLY 32 N 0.62 0.33 3.86 -0.13 0.00 -0.91 -4.86 105.19 104.11 1wrf n GLY 32 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1wrf n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wrf s LYS 33 N -0.74 3.89 -0.39 1.61 2.20 -0.46 -4.54 119.74 121.32 1wrf s LYS 33 Ca 0.00 0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 55.78 1wrf s LYS 33 Cb 0.00 -2.57 0.02 0.00 -1.51 0.00 0.00 37.83 33.77 1wrf s LYS 33 CO 0.00 0.26 1.06 -1.25 -0.36 0.00 0.00 175.35 175.05 1wrf s PRO 34 N -2.85 3.89 -0.34 4.03 0.04 -1.26 -1.96 135.00 136.55 1wrf s PRO 34 Ca 0.50 0.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 1wrf s PRO 34 Cb -0.11 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 1wrf s PRO 34 CO 0.20 -1.07 0.34 0.12 0.04 0.00 0.00 177.00 176.63 1wrf s PHE 35 N 3.87 3.21 -0.17 0.56 5.36 -0.62 -4.74 117.98 125.45 1wrf s PHE 35 Ca 0.44 -0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 56.30 1wrf s PHE 35 Cb -0.10 -2.64 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 1wrf s PHE 35 CO 0.22 -0.43 -0.01 0.99 -1.46 0.00 0.00 175.22 174.53 1wrf s THR 36 N 1.97 4.11 -0.07 0.12 2.01 -1.26 0.32 115.64 122.83 1wrf s THR 36 Ca 0.11 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 1wrf s THR 36 Cb -0.17 -2.82 0.04 0.00 0.01 0.00 0.00 72.50 69.56 1wrf s THR 36 CO 0.11 0.48 0.16 -1.48 -0.69 0.00 0.00 174.62 173.20 1wrf s LEU 37 N 0.45 0.41 -0.09 4.42 -0.00 -1.07 -2.37 118.68 120.42 1wrf s LEU 37 Ca -0.02 0.32 -0.14 0.00 -0.00 0.00 0.00 54.13 54.29 1wrf s LEU 37 Cb -0.14 0.35 -0.05 0.00 -0.00 0.00 0.00 46.19 46.35 1wrf s LEU 37 CO 0.02 -0.19 0.36 -0.70 -0.00 0.00 0.00 176.35 175.84 1wrf s GLU 38 N 1.60 4.08 -0.08 1.48 2.12 -0.72 -3.56 118.70 123.62 1wrf s GLU 38 Ca -0.05 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.55 1wrf s GLU 38 Cb -0.12 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.96 1wrf s GLU 38 CO -0.06 0.43 -0.10 0.00 -0.54 0.00 0.00 175.26 174.99 1wrf s ALA 39 N -0.18 1.24 0.08 6.30 0.00 -0.95 -1.89 121.76 126.36 1wrf s ALA 39 Ca 0.21 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 1wrf s ALA 39 Cb -0.15 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.23 1wrf s ALA 39 CO 0.08 -0.10 0.41 -0.51 0.00 0.00 0.00 175.76 175.64 1wrf s LEU 40 N 1.09 4.35 -0.27 0.00 1.43 -1.19 -2.81 118.68 121.28 1wrf s LEU 40 Ca -0.07 0.81 -0.24 0.00 -1.03 0.00 0.00 54.13 53.60 1wrf s LEU 40 Cb -0.14 -2.97 0.08 0.00 0.03 0.00 0.00 46.19 43.18 1wrf s LEU 40 CO -0.01 0.18 0.78 0.72 0.23 0.00 0.00 176.35 178.25 1wrf s PHE 41 N -1.38 -0.74 -0.36 0.29 -0.12 -0.85 -0.32 117.98 114.49 1wrf s PHE 41 Ca 0.33 1.78 -0.24 0.00 -0.05 0.00 0.00 56.93 58.75 1wrf s PHE 41 Cb -0.14 0.31 0.01 0.00 -0.63 0.00 0.00 43.02 42.57 1wrf s PHE 41 CO 0.18 -0.36 0.81 -0.51 -0.05 0.00 0.00 175.22 175.29 1wrf s ASP 42 N 0.44 6.58 -0.38 1.98 1.01 -1.19 -1.54 116.67 123.58 1wrf s ASP 42 Ca -0.00 0.41 -0.39 0.00 0.71 0.00 0.00 52.55 53.28 1wrf s ASP 42 Cb -0.05 -2.41 -0.15 0.00 1.01 0.00 0.00 42.92 41.32 1wrf s ASP 42 CO -0.02 -0.75 2.06 0.00 0.21 0.00 0.00 175.17 176.67 1wrf n ALA 43 N 6.49 0.51 1.66 5.23 0.00 0.22 -4.75 120.51 129.87 1wrf n ALA 43 Ca 0.04 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.62 1wrf n ALA 43 Cb 0.48 -2.34 0.04 0.00 0.00 0.00 0.00 19.45 17.64 1wrf n ALA 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wrf n ASN 44 N 8.07 0.56 -3.59 0.00 0.23 -1.26 -1.38 115.26 117.89 1wrf n ASN 44 Ca 0.41 -2.00 -0.11 0.00 -0.53 0.00 0.00 54.58 52.35 1wrf n ASN 44 Cb 0.13 -0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 37.69 1wrf n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wrf s GLN 45 N -1.85 0.64 -0.37 -3.83 -2.07 -1.26 -4.91 119.66 106.00 1wrf s GLN 45 Ca 0.07 0.29 -0.26 0.00 -1.82 0.00 0.00 55.36 53.64 1wrf s GLN 45 Cb 0.04 0.30 0.02 0.00 -1.09 0.00 0.00 33.01 32.27 1wrf s GLN 45 CO 0.04 -0.17 0.92 0.54 -1.32 0.00 0.00 175.29 175.30 1wrf s ASN 46 N -0.75 6.67 0.11 12.60 4.22 -1.26 -3.61 114.94 132.92 1wrf s ASN 46 Ca -0.02 0.56 0.05 0.00 -2.14 0.00 0.00 52.86 51.30 1wrf s ASN 46 Cb -0.02 -2.46 -0.04 0.00 1.28 0.00 0.00 41.25 40.02 1wrf s ASN 46 CO 0.01 -0.86 -0.12 0.28 -2.04 0.00 0.00 177.10 174.37 1wrf s THR 47 N 3.47 1.10 -0.95 0.54 -1.32 -0.36 -4.86 115.64 113.26 1wrf s THR 47 Ca 0.38 -1.68 0.24 0.00 -1.21 0.00 0.00 61.69 59.42 1wrf s THR 47 Cb -0.12 -1.43 -0.05 0.00 -1.51 0.00 0.00 72.50 69.39 1wrf s THR 47 CO 0.19 -0.50 1.28 0.29 -2.21 0.00 0.00 174.62 173.67 1wrf n LYS 48 N 0.54 0.04 -3.78 7.08 4.76 -1.26 -0.81 118.16 124.73 1wrf n LYS 48 Ca -0.16 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.16 1wrf n LYS 48 Cb 0.57 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 1wrf n LYS 48 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wrf s THR 49 N -3.02 -0.00 0.12 -0.18 -4.23 -1.26 -4.41 115.64 102.65 1wrf s THR 49 Ca 0.10 0.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.68 1wrf s THR 49 Cb 0.17 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.59 1wrf s THR 49 CO 0.74 0.00 -0.15 0.00 -0.54 0.00 0.00 174.62 174.67 1wrf s ALA 50 N 0.20 1.55 -0.02 3.99 0.00 -1.26 -3.79 121.76 122.43 1wrf s ALA 50 Ca -0.01 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1wrf s ALA 50 Cb -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1wrf s ALA 50 CO -0.00 0.16 -0.08 0.15 0.00 0.00 0.00 175.76 175.99 1wrf s LYS 51 N -2.47 0.81 0.28 0.00 1.02 -0.12 0.69 119.74 119.94 1wrf s LYS 51 Ca 0.08 -0.26 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 1wrf s LYS 51 Cb -0.06 -0.77 -0.07 0.00 -0.52 0.00 0.00 37.83 36.41 1wrf s LYS 51 CO 0.03 0.10 0.59 -1.50 -0.92 0.00 0.00 175.35 173.66 1wrf s ILE 52 N 0.17 4.92 -0.10 2.17 2.07 -1.22 -0.67 121.20 128.55 1wrf s ILE 52 Ca -0.02 0.41 -0.03 0.00 -1.41 0.00 0.00 60.65 59.60 1wrf s ILE 52 Cb -0.07 -3.66 0.04 0.00 0.13 0.00 0.00 42.46 38.89 1wrf s ILE 52 CO 0.00 -0.21 0.05 -1.61 -1.91 0.00 0.00 174.94 171.27 1wrf s GLU 53 N -3.17 0.17 -0.25 3.50 2.02 0.40 -4.70 118.70 116.66 1wrf s GLU 53 Ca 0.47 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1wrf s GLU 53 Cb -0.11 -1.12 0.04 0.00 0.10 0.00 0.00 34.13 33.04 1wrf s GLU 53 CO 0.25 -0.45 -0.08 0.42 0.02 0.00 0.00 175.26 175.41 1wrf s ILE 54 N 2.09 2.53 0.14 -1.63 1.09 -1.22 -0.03 121.20 124.16 1wrf s ILE 54 Ca 0.04 -1.32 0.07 0.00 -1.10 0.00 0.00 60.65 58.34 1wrf s ILE 54 Cb -0.14 -2.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.85 1wrf s ILE 54 CO -0.06 0.09 -0.05 -0.54 -0.10 0.00 0.00 174.94 174.29 1wrf s LYS 55 N 1.22 2.28 0.20 2.79 1.02 -0.86 -2.68 119.74 123.71 1wrf s LYS 55 Ca -0.04 -1.07 0.10 0.00 0.02 0.00 0.00 55.97 54.99 1wrf s LYS 55 Cb -0.18 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 1wrf s LYS 55 CO -0.05 0.48 -0.20 0.00 -0.92 0.00 0.00 175.35 174.66 1wrf s ALA 56 N -1.50 2.32 0.13 5.17 0.00 -0.49 -0.62 121.76 126.77 1wrf s ALA 56 Ca 0.25 -1.63 0.09 0.00 0.00 0.00 0.00 51.96 50.67 1wrf s ALA 56 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1wrf s ALA 56 CO 0.16 0.29 -0.20 -1.54 0.00 0.00 0.00 175.76 174.48 1wrf s SER 57 N -2.90 3.78 -0.42 0.00 1.04 0.12 -0.28 113.70 115.03 1wrf s SER 57 Ca 0.21 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 56.07 1wrf s SER 57 Cb -0.06 -0.48 0.44 0.00 0.10 0.00 0.00 66.02 66.02 1wrf s SER 57 CO 0.09 0.17 1.34 0.18 0.98 0.00 0.00 173.24 176.01 1wrf n LEU 58 N 0.74 5.43 -1.56 2.42 4.77 0.10 -2.81 117.00 126.10 1wrf n LEU 58 Ca -0.16 -4.83 -0.12 0.00 -0.03 0.00 0.00 56.01 50.88 1wrf n LEU 58 Cb 0.53 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1wrf n LEU 58 CO 0.28 2.04 -0.12 -0.67 -1.33 0.00 0.00 177.39 177.59 1wrf n ASP 59 N -0.66 -3.22 0.00 -1.43 2.03 -0.81 -3.47 116.55 108.99 1wrf n ASP 59 Ca 0.46 0.27 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1wrf n ASP 59 Cb 0.79 -3.00 0.00 0.00 -0.72 0.00 0.00 41.12 38.19 1wrf n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wrf n GLY 60 N -0.33 -0.36 3.48 0.27 0.00 -1.26 -5.04 105.19 101.95 1wrf n GLY 60 Ca -0.12 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1wrf n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wrf s LEU 61 N 0.00 4.20 -0.25 0.99 1.02 -1.23 -5.06 118.68 118.36 1wrf s LEU 61 Ca 0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 54.13 53.53 1wrf s LEU 61 Cb 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 1wrf s LEU 61 CO 0.00 -0.19 0.54 -1.61 0.02 0.00 0.00 176.35 175.11 1wrf s GLU 62 N 1.66 4.10 0.41 1.70 2.02 -1.26 0.01 118.70 127.34 1wrf s GLU 62 Ca 0.05 0.38 0.08 0.00 0.02 0.00 0.00 54.97 55.50 1wrf s GLU 62 Cb -0.17 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.41 1wrf s GLU 62 CO 0.08 -0.32 0.43 0.42 0.02 0.00 0.00 175.26 175.88 1wrf s ILE 63 N 2.22 2.84 -0.09 -1.63 1.01 0.62 -4.95 121.20 121.21 1wrf s ILE 63 Ca 0.23 -1.25 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1wrf s ILE 63 Cb -0.16 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1wrf s ILE 63 CO 0.09 -0.01 -0.05 -1.81 0.00 0.00 0.00 174.94 173.16 1wrf s ASP 64 N -4.18 4.81 -0.39 3.58 1.01 -1.26 -1.40 116.67 118.84 1wrf s ASP 64 Ca 0.49 -0.00 -0.09 0.00 0.71 0.00 0.00 52.55 53.66 1wrf s ASP 64 Cb -0.05 -1.34 0.06 0.00 1.01 0.00 0.00 42.92 42.59 1wrf s ASP 64 CO 0.29 0.33 0.21 -0.69 0.21 0.00 0.00 175.17 175.53 1wrf s VAL 65 N -0.63 4.23 0.00 -1.27 1.01 -1.09 -4.86 120.40 117.78 1wrf s VAL 65 Ca 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1wrf s VAL 65 Cb -0.12 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wrf s VAL 65 CO 0.02 -0.36 0.00 -0.81 0.00 0.00 0.00 175.10 173.95 1wrf n PRO 66 N 4.92 1.58 -3.60 2.72 -0.04 -1.26 -4.63 135.00 134.69 1wrf n PRO 66 Ca -0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 1wrf n PRO 66 Cb 0.44 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.97 1wrf n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wrf n GLY 67 N 5.00 -0.42 0.00 0.55 0.00 -1.26 -4.77 105.19 104.29 1wrf n GLY 67 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wrf n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wrf n ILE 68 N -4.49 0.00 -3.66 -0.61 -5.35 -1.26 -3.62 119.36 100.37 1wrf n ILE 68 Ca -0.16 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 61.93 1wrf n ILE 68 Cb 0.62 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.41 1wrf n ILE 68 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1wrf s ASP 69 N 1.00 5.52 -0.30 7.28 2.15 -1.26 -4.95 116.67 126.11 1wrf s ASP 69 Ca 0.00 -1.46 -0.04 0.00 0.43 0.00 0.00 52.55 51.49 1wrf s ASP 69 Cb 0.00 -1.94 -0.00 0.00 -0.30 0.00 0.00 42.92 40.67 1wrf s ASP 69 CO 0.00 -0.48 2.84 0.35 -0.17 0.00 0.00 175.17 177.71 1wrf n THR 70 N 4.86 3.10 0.00 1.71 -2.24 -1.26 -3.41 114.28 117.04 1wrf n THR 70 Ca -0.10 -2.31 0.00 0.00 -2.27 0.00 0.00 64.05 59.37 1wrf n THR 70 Cb 0.43 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1wrf n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wrf n ASN 71 N 1.23 0.00 0.00 3.42 2.85 -1.24 -4.77 115.26 116.75 1wrf n ASN 71 Ca 0.42 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.91 1wrf n ASN 71 Cb 0.65 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.74 1wrf n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wrf n ALA 72 N 0.00 1.34 0.23 5.20 0.00 0.22 -2.33 120.51 125.17 1wrf n ALA 72 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1wrf n ALA 72 Cb 0.00 -1.05 0.35 0.00 0.00 0.00 0.00 19.45 18.75 1wrf n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrf h HIS 74 N 0.00 0.00 0.00 0.00 3.86 -1.81 -3.30 115.15 113.89 1wrf h HIS 74 Ca 0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 1wrf h HIS 74 Cb 0.12 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 1wrf h HIS 74 CO 0.00 0.21 -1.74 1.19 0.86 0.00 0.00 177.93 178.46 1wrf n PHE 75 N -3.24 0.00 -3.35 2.45 3.72 -0.50 -5.00 117.46 111.55 1wrf n PHE 75 Ca 0.02 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.22 1wrf n PHE 75 Cb 0.52 -0.53 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1wrf n PHE 75 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1wrf s VAL 76 N -2.26 3.91 -0.88 -4.37 -7.23 -0.37 -4.78 120.40 104.43 1wrf s VAL 76 Ca -0.06 -0.94 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 1wrf s VAL 76 Cb 0.03 -3.36 0.14 0.00 0.56 0.00 0.00 36.38 33.75 1wrf s VAL 76 CO 0.43 -0.15 1.04 -1.59 -0.31 0.00 0.00 175.10 174.52 1wrf s LYS 77 N -4.24 3.54 0.33 4.82 0.00 -1.26 -4.60 119.74 118.33 1wrf s LYS 77 Ca 0.47 -1.78 -0.09 0.00 0.00 0.00 0.00 55.97 54.57 1wrf s LYS 77 Cb -0.10 -4.76 -0.06 0.00 0.00 0.00 0.00 37.83 32.91 1wrf s LYS 77 CO 0.32 -1.69 0.65 0.00 0.00 0.00 0.00 175.35 174.63 1wrf s PRO 79 N -3.50 4.31 -0.26 0.00 0.04 -1.26 -5.05 135.00 129.27 1wrf s PRO 79 Ca 0.48 2.11 -0.29 0.00 0.04 0.00 0.00 61.00 63.34 1wrf s PRO 79 Cb -0.11 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1wrf s PRO 79 CO 0.28 -0.45 1.38 -0.51 0.04 0.00 0.00 177.00 177.74 1wrf s LEU 80 N 1.06 3.93 0.20 -3.56 1.43 0.01 -4.84 118.68 116.92 1wrf s LEU 80 Ca 0.65 1.38 -0.25 0.00 -1.03 0.00 0.00 54.13 54.88 1wrf s LEU 80 Cb -0.38 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.22 1wrf s LEU 80 CO 0.31 -1.08 0.80 -0.69 0.23 0.00 0.00 176.35 175.92 1wrf s VAL 81 N 4.46 4.35 -0.11 -1.59 1.01 -1.26 -1.22 120.40 126.04 1wrf s VAL 81 Ca 0.60 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.98 1wrf s VAL 81 Cb -0.20 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1wrf s VAL 81 CO 0.24 0.43 1.81 -0.75 0.00 0.00 0.00 175.10 176.82 1wrf s LYS 82 N -1.39 3.89 0.00 2.72 2.20 -1.24 -1.86 119.74 124.06 1wrf s LYS 82 Ca 0.39 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 1wrf s LYS 82 Cb -0.22 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 31.99 1wrf s LYS 82 CO 0.26 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.45 1wrf n GLY 83 N 4.65 1.44 3.93 5.54 0.00 -0.48 -4.86 105.19 115.42 1wrf n GLY 83 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1wrf n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wrf s GLN 84 N -0.15 3.37 0.09 1.61 2.00 -0.77 -4.89 119.66 120.92 1wrf s GLN 84 Ca 0.00 -0.68 0.05 0.00 -2.00 0.00 0.00 55.36 52.73 1wrf s GLN 84 Cb 0.00 -2.90 -0.04 0.00 0.80 0.00 0.00 33.01 30.87 1wrf s GLN 84 CO 0.00 0.49 -0.01 -1.14 -0.50 0.00 0.00 175.29 174.12 1wrf s GLN 85 N -3.46 2.49 0.06 1.67 0.74 -1.26 -0.61 119.66 119.30 1wrf s GLN 85 Ca 0.34 -0.86 0.04 0.00 0.05 0.00 0.00 55.36 54.93 1wrf s GLN 85 Cb -0.10 -2.51 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 1wrf s GLN 85 CO 0.28 0.54 -0.12 0.71 -0.55 0.00 0.00 175.29 176.14 1wrf s TYR 86 N -1.30 1.06 -0.24 1.67 1.51 -0.59 -4.93 117.35 114.53 1wrf s TYR 86 Ca 0.25 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1wrf s TYR 86 Cb -0.12 -0.61 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1wrf s TYR 86 CO 0.18 0.02 -0.10 0.16 -1.11 0.00 0.00 175.55 174.69 1wrf s ASP 87 N -1.60 4.18 -0.20 2.29 -4.77 -1.26 -2.02 116.67 113.29 1wrf s ASP 87 Ca -0.04 -1.07 -0.05 0.00 -3.30 0.00 0.00 52.55 48.10 1wrf s ASP 87 Cb -0.10 -1.59 -0.03 0.00 -1.09 0.00 0.00 42.92 40.12 1wrf s ASP 87 CO 0.02 -0.14 0.01 -0.51 0.70 0.00 0.00 175.17 175.24 1wrf s ILE 88 N 1.23 4.01 -0.47 2.11 2.07 -1.12 -4.65 121.20 124.38 1wrf s ILE 88 Ca -0.03 -0.29 -0.15 0.00 -1.41 0.00 0.00 60.65 58.77 1wrf s ILE 88 Cb -0.17 -2.82 0.08 0.00 0.13 0.00 0.00 42.46 39.67 1wrf s ILE 88 CO -0.06 0.43 0.39 -0.75 -1.91 0.00 0.00 174.94 173.04 1wrf s LYS 89 N 0.98 2.95 0.01 3.50 2.47 -1.26 -2.24 119.74 126.15 1wrf s LYS 89 Ca 0.02 -1.37 0.08 0.00 -1.56 0.00 0.00 55.97 53.14 1wrf s LYS 89 Cb -0.14 -4.11 -0.02 0.00 -1.46 0.00 0.00 37.83 32.09 1wrf s LYS 89 CO 0.02 -1.03 -0.26 -0.47 0.16 0.00 0.00 175.35 173.77 1wrf s TYR 90 N 1.62 2.34 0.06 4.03 5.04 -1.23 -4.96 117.35 124.25 1wrf s TYR 90 Ca 0.04 -0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 54.15 1wrf s TYR 90 Cb -0.24 -1.46 -0.06 0.00 0.35 0.00 0.00 41.96 40.55 1wrf s TYR 90 CO 0.06 0.04 0.39 0.95 -1.34 0.00 0.00 175.55 175.65 1wrf s THR 91 N -0.70 5.11 -0.51 4.34 -4.23 -1.26 -2.60 115.64 115.79 1wrf s THR 91 Ca 0.11 0.49 0.04 0.00 -1.18 0.00 0.00 61.69 61.14 1wrf s THR 91 Cb -0.10 -3.64 0.13 0.00 1.34 0.00 0.00 72.50 70.23 1wrf s THR 91 CO 0.00 0.35 0.26 0.86 -0.54 0.00 0.00 174.62 175.55 1wrf s TRP 92 N -1.33 2.86 -0.31 3.99 -0.00 0.15 -4.77 118.94 119.53 1wrf s TRP 92 Ca 0.31 -2.98 -0.28 0.00 -0.00 0.00 0.00 56.10 53.15 1wrf s TRP 92 Cb -0.14 -2.55 -0.04 0.00 -0.00 0.00 0.00 33.47 30.73 1wrf s TRP 92 CO 0.17 -0.74 2.14 1.21 -0.00 0.00 0.00 176.95 179.73 1wrf s ASN 93 N -0.17 5.36 0.37 5.86 2.47 -1.24 -1.59 114.94 126.00 1wrf s ASN 93 Ca 0.18 1.53 -0.25 0.00 0.42 0.00 0.00 52.86 54.74 1wrf s ASN 93 Cb -0.24 -2.51 -0.09 0.00 -1.45 0.00 0.00 41.25 36.95 1wrf s ASN 93 CO -0.01 -2.09 1.06 -0.69 -3.72 0.00 0.00 177.10 171.65 1wrf s VAL 94 N 8.73 3.65 0.22 -5.21 1.01 -0.83 -4.71 120.40 123.26 1wrf s VAL 94 Ca 0.94 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.98 1wrf s VAL 94 Cb -0.27 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1wrf s VAL 94 CO 0.32 0.10 1.25 -2.16 0.00 0.00 0.00 175.10 174.61 1wrf s PRO 95 N -2.22 4.45 0.00 2.72 0.04 -1.26 -2.13 135.00 136.59 1wrf s PRO 95 Ca 0.54 1.99 0.10 0.00 0.04 0.00 0.00 61.00 63.68 1wrf s PRO 95 Cb -0.25 -3.19 0.60 0.00 0.04 0.00 0.00 34.50 31.71 1wrf s PRO 95 CO 0.31 -0.13 1.10 1.17 0.04 0.00 0.00 177.00 179.49 1wrf n LYS 96 N 2.13 0.61 0.03 4.56 3.00 -1.26 -2.56 118.16 124.67 1wrf n LYS 96 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1wrf n LYS 96 Cb 0.43 -1.26 -0.08 0.00 0.00 0.00 0.00 35.03 34.12 1wrf n LYS 96 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1wrf h ILE 97 N 0.00 0.52 -0.61 3.15 3.07 -1.97 -3.46 117.51 118.20 1wrf h ILE 97 Ca 0.00 -2.02 -0.69 0.00 1.55 0.00 0.00 64.86 63.70 1wrf h ILE 97 Cb 0.00 2.05 -0.00 0.00 -0.27 0.00 0.00 36.82 38.60 1wrf h ILE 97 CO 0.00 0.29 0.68 0.00 -1.05 0.00 0.00 178.15 178.08 1wrf n ALA 98 N -2.40 -0.79 -1.95 0.16 0.00 -1.06 -4.88 120.51 109.59 1wrf n ALA 98 Ca -0.10 0.34 -0.28 0.00 0.00 0.00 0.00 53.44 53.41 1wrf n ALA 98 Cb 0.85 -1.58 0.06 0.00 0.00 0.00 0.00 19.45 18.77 1wrf n ALA 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wrf s PRO 99 N 3.02 2.54 -1.32 0.00 0.04 -1.26 -4.87 135.00 133.15 1wrf s PRO 99 Ca 0.88 0.09 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 1wrf s PRO 99 Cb -1.21 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 31.27 1wrf s PRO 99 CO 0.63 -1.11 1.85 1.63 0.04 0.00 0.00 177.00 180.05 1wrf n LYS 100 N -2.93 3.02 -2.69 4.56 4.76 -1.26 -4.73 118.16 118.89 1wrf n LYS 100 Ca 0.07 -3.08 -0.43 0.00 -2.87 0.00 0.00 58.31 52.00 1wrf n LYS 100 Cb 0.59 -3.46 -0.02 0.00 -1.84 0.00 0.00 35.03 30.29 1wrf n LYS 100 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wrf s SER 101 N 4.16 6.99 0.24 4.39 0.15 -1.25 -4.91 113.70 123.46 1wrf s SER 101 Ca 0.53 1.19 -0.08 0.00 0.70 0.00 0.00 55.95 58.29 1wrf s SER 101 Cb 0.06 -2.52 0.37 0.00 -1.71 0.00 0.00 66.02 62.21 1wrf s SER 101 CO 0.05 -0.73 1.35 -1.84 1.20 0.00 0.00 173.24 173.27 1wrf n GLU 102 N 6.49 -0.10 -4.58 5.44 0.28 -1.26 -3.12 120.64 123.78 1wrf n GLU 102 Ca 0.11 1.35 -0.22 0.00 -0.16 0.00 0.00 57.16 58.24 1wrf n GLU 102 Cb 0.47 -2.01 -0.15 0.00 1.43 0.00 0.00 31.44 31.17 1wrf n GLU 102 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1wrf s ASN 103 N -5.24 1.54 0.07 -1.84 -0.87 -1.26 -4.39 114.94 102.95 1wrf s ASN 103 Ca -0.13 -0.24 0.05 0.00 -1.57 0.00 0.00 52.86 50.98 1wrf s ASN 103 Cb 0.23 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.25 41.20 1wrf s ASN 103 CO 0.67 0.15 -0.15 -0.69 -2.57 0.00 0.00 177.10 174.50 1wrf s VAL 104 N -0.21 1.19 -0.13 1.60 1.01 -0.23 -1.93 120.40 121.70 1wrf s VAL 104 Ca 0.03 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1wrf s VAL 104 Cb -0.06 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1wrf s VAL 104 CO -0.00 -0.17 -0.16 -0.69 0.00 0.00 0.00 175.10 174.08 1wrf s VAL 105 N -1.20 1.61 -0.03 2.92 1.01 -1.12 -3.53 120.40 120.06 1wrf s VAL 105 Ca -0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1wrf s VAL 105 Cb -0.10 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1wrf s VAL 105 CO 0.02 0.46 0.08 -0.69 0.00 0.00 0.00 175.10 174.98 1wrf s VAL 106 N 1.23 4.81 -0.20 2.92 1.01 -1.26 0.12 120.40 129.03 1wrf s VAL 106 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1wrf s VAL 106 Cb -0.14 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1wrf s VAL 106 CO -0.07 0.41 -0.11 -0.89 0.00 0.00 0.00 175.10 174.45 1wrf s THR 107 N -1.14 1.71 -0.18 3.92 2.01 0.20 -1.81 115.64 120.35 1wrf s THR 107 Ca 0.21 -1.07 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 1wrf s THR 107 Cb -0.12 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1wrf s THR 107 CO 0.11 0.17 0.35 0.54 -0.69 0.00 0.00 174.62 175.10 1wrf s VAL 108 N 1.36 5.25 -0.06 3.82 0.11 -0.30 -2.04 120.40 128.55 1wrf s VAL 108 Ca -0.02 0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 59.64 1wrf s VAL 108 Cb -0.16 -3.68 0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1wrf s VAL 108 CO -0.08 0.32 0.12 -0.75 -3.33 0.00 0.00 175.10 171.38 1wrf s LYS 109 N 0.91 0.04 -0.12 1.54 2.20 0.95 0.86 119.74 126.12 1wrf s LYS 109 Ca 0.18 0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 56.12 1wrf s LYS 109 Cb -0.14 -0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 35.90 1wrf s LYS 109 CO 0.06 -0.21 0.07 -0.51 -0.36 0.00 0.00 175.35 174.40 1wrf s LEU 110 N 1.48 3.95 -0.10 5.43 1.02 -1.22 0.15 118.68 129.40 1wrf s LEU 110 Ca -0.05 0.25 -0.00 0.00 0.02 0.00 0.00 54.13 54.34 1wrf s LEU 110 Cb -0.12 -1.95 0.02 0.00 0.02 0.00 0.00 46.19 44.16 1wrf s LEU 110 CO -0.05 0.34 -0.06 -0.63 0.02 0.00 0.00 176.35 175.96 1wrf s ILE 111 N -0.61 0.86 0.00 -0.59 1.09 0.16 0.13 121.20 122.24 1wrf s ILE 111 Ca 0.11 -0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.46 1wrf s ILE 111 Cb -0.12 -0.90 0.00 0.00 -1.06 0.00 0.00 42.46 40.38 1wrf s ILE 111 CO 0.02 0.33 0.00 0.61 -0.10 0.00 0.00 174.94 175.81 1wrf n GLY 112 N 4.83 0.86 0.11 6.18 0.00 -0.53 -0.95 105.19 115.70 1wrf n GLY 112 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1wrf n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wrf n ASP 113 N 0.00 0.94 -0.00 1.61 -0.08 -1.25 -4.61 116.55 113.17 1wrf n ASP 113 Ca 0.00 -0.97 0.02 0.00 -1.51 0.00 0.00 54.79 52.32 1wrf n ASP 113 Cb 0.00 0.36 -0.02 0.00 2.34 0.00 0.00 41.12 43.80 1wrf n ASP 113 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1wrf n ASN 114 N -0.23 0.55 0.00 1.67 5.15 -1.26 -5.11 115.26 116.03 1wrf n ASN 114 Ca 0.02 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 1wrf n ASN 114 Cb 0.09 1.02 0.00 0.00 -0.53 0.00 0.00 39.78 40.36 1wrf n ASN 114 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wrf n GLY 115 N 1.20 -0.54 3.54 8.20 0.00 -1.26 -5.09 105.19 111.25 1wrf n GLY 115 Ca 0.01 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1wrf n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wrf s VAL 116 N -3.15 4.61 0.24 1.61 1.01 -1.26 -1.45 120.40 122.01 1wrf s VAL 116 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 1wrf s VAL 116 Cb 0.00 -4.35 0.21 0.00 0.00 0.00 0.00 36.38 32.24 1wrf s VAL 116 CO 0.00 -0.76 1.78 -0.07 0.00 0.00 0.00 175.10 176.05 1wrf h LEU 117 N 10.25 0.54 0.00 3.92 3.38 0.78 -3.46 115.31 130.71 1wrf h LEU 117 Ca -0.25 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1wrf h LEU 117 Cb 1.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wrf h LEU 117 CO 0.98 0.28 0.00 0.00 0.09 0.00 0.00 178.44 179.79 1wrf n ALA 118 N -2.41 0.00 -3.64 1.53 0.00 -0.96 -4.48 120.51 110.55 1wrf n ALA 118 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1wrf n ALA 118 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 1wrf n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrf s ALA 120 N -1.59 -1.05 -0.12 0.00 0.00 0.25 -3.25 121.76 115.99 1wrf s ALA 120 Ca 0.10 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1wrf s ALA 120 Cb -0.01 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1wrf s ALA 120 CO -0.05 -0.24 -0.01 0.42 0.00 0.00 0.00 175.76 175.88 1wrf s ILE 121 N -0.38 0.65 0.20 0.00 1.01 -1.14 -1.15 121.20 120.39 1wrf s ILE 121 Ca -0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 1wrf s ILE 121 Cb -0.03 -0.86 -0.07 0.00 0.01 0.00 0.00 42.46 41.50 1wrf s ILE 121 CO 0.03 0.15 0.60 0.00 0.00 0.00 0.00 174.94 175.72 1wrf s ALA 122 N 1.84 3.52 0.31 9.38 0.00 -0.75 -1.59 121.76 134.47 1wrf s ALA 122 Ca 0.03 -0.09 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1wrf s ALA 122 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1wrf s ALA 122 CO -0.07 0.43 -0.05 0.99 0.00 0.00 0.00 175.76 177.06 1wrf s THR 123 N -1.62 2.74 -0.60 0.00 2.01 -1.25 -4.20 115.64 112.72 1wrf s THR 123 Ca 0.43 -2.08 -0.12 0.00 0.31 0.00 0.00 61.69 60.23 1wrf s THR 123 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1wrf s THR 123 CO 0.20 -0.29 0.65 1.57 -0.69 0.00 0.00 174.62 176.06 1wrf n HIS 124 N -0.85 -2.98 -4.27 4.92 -0.00 -1.26 -4.94 115.22 105.83 1wrf n HIS 124 Ca -0.05 1.19 -0.15 0.00 0.46 0.00 0.00 57.72 59.17 1wrf n HIS 124 Cb 0.61 -3.55 -0.10 0.00 -0.12 0.00 0.00 29.99 26.83 1wrf n HIS 124 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1wrf s GLY 125 N -2.63 1.19 -0.17 1.57 0.00 -1.23 -3.74 107.32 102.31 1wrf s GLY 125 Ca 0.15 -1.56 -0.16 0.00 0.00 0.00 0.00 44.72 43.15 1wrf s GLY 125 CO 0.80 -1.61 0.46 0.54 0.00 0.00 0.00 173.10 173.29 1wrf s LYS 126 N -3.79 0.53 -0.09 2.90 1.02 0.06 -1.07 119.74 119.31 1wrf s LYS 126 Ca 0.20 0.65 -0.02 0.00 0.02 0.00 0.00 55.97 56.82 1wrf s LYS 126 Cb 0.04 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.56 1wrf s LYS 126 CO 0.03 -0.07 0.01 0.42 -0.92 0.00 0.00 175.35 174.82 1wrf s ILE 127 N 0.30 4.38 0.39 2.17 1.01 -1.18 -1.83 121.20 126.44 1wrf s ILE 127 Ca -0.00 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.47 1wrf s ILE 127 Cb -0.03 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1wrf s ILE 127 CO -0.00 0.60 0.17 -0.13 0.00 0.00 0.00 174.94 175.59 1wrf s ARG 128 N -0.87 1.88 0.00 2.79 0.52 -0.86 -3.83 118.95 118.58 1wrf s ARG 128 Ca 0.13 -2.14 0.01 0.00 -0.52 0.00 0.00 55.73 53.22 1wrf s ARG 128 Cb -0.11 -0.33 0.07 0.00 0.52 0.00 0.00 34.95 35.10 1wrf s ARG 128 CO 0.02 -0.54 0.57 -3.47 0.02 0.00 0.00 175.30 171.90