#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 4.75 0.41 -1.24 0.74 -1.26 -2.90 119.66 120.15 1wrf s GLN 2 Ca 0.00 1.57 0.08 0.00 0.05 0.00 0.00 55.36 57.06 1wrf s GLN 2 Cb 0.00 -3.19 -0.00 0.00 1.10 0.00 0.00 33.01 30.92 1wrf s GLN 2 CO 0.00 0.39 0.50 0.14 -0.55 0.00 0.00 175.29 175.77 1wrf s VAL 3 N -1.23 3.04 -0.21 1.34 -7.23 -1.25 -3.21 120.40 111.65 1wrf s VAL 3 Ca 0.43 -1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.31 1wrf s VAL 3 Cb -0.27 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 1wrf s VAL 3 CO 0.34 -0.02 0.57 1.51 -0.31 0.00 0.00 175.10 177.19 1wrf s ASP 4 N -4.27 6.59 -0.03 4.85 1.47 -1.26 -4.82 116.67 119.20 1wrf s ASP 4 Ca 0.52 0.72 -0.21 0.00 1.18 0.00 0.00 52.55 54.76 1wrf s ASP 4 Cb -0.08 -2.32 0.04 0.00 -0.34 0.00 0.00 42.92 40.22 1wrf s ASP 4 CO 0.31 -0.25 0.45 0.68 0.68 0.00 0.00 175.17 177.04 1wrf s VAL 5 N 1.92 0.03 -0.31 2.11 -7.23 -1.26 -4.41 120.40 111.26 1wrf s VAL 5 Ca 0.26 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 1wrf s VAL 5 Cb -0.16 -0.76 0.05 0.00 0.56 0.00 0.00 36.38 36.07 1wrf s VAL 5 CO 0.10 -0.16 0.02 -0.75 -0.31 0.00 0.00 175.10 174.01 1wrf s LYS 6 N -1.21 2.51 0.22 4.82 2.47 -0.65 -4.84 119.74 123.05 1wrf s LYS 6 Ca -0.12 -1.22 -0.32 0.00 -1.56 0.00 0.00 55.97 52.75 1wrf s LYS 6 Cb -0.03 -3.25 -0.14 0.00 -1.46 0.00 0.00 37.83 32.95 1wrf s LYS 6 CO 0.06 -0.62 1.36 -0.40 0.16 0.00 0.00 175.35 175.91 1wrf n ASP 7 N 4.68 2.44 -0.46 1.43 5.68 -1.26 -3.29 116.55 125.77 1wrf n ASP 7 Ca -0.13 1.14 0.08 0.00 -0.50 0.00 0.00 54.79 55.37 1wrf n ASP 7 Cb 0.44 -1.38 0.02 0.00 -1.14 0.00 0.00 41.12 39.06 1wrf n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wrf h ALA 9 N 2.82 -0.35 0.00 0.00 0.00 -1.86 -3.47 119.26 116.41 1wrf h ALA 9 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wrf h ALA 9 Cb 0.57 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wrf h ALA 9 CO 0.00 -0.35 0.00 -1.71 0.00 0.00 0.00 179.25 177.19 1wrf n ASN 10 N -5.01 0.00 -0.76 0.00 4.05 -1.26 -4.87 115.26 107.41 1wrf n ASN 10 Ca -0.06 0.00 -0.10 0.00 0.45 0.00 0.00 54.58 54.87 1wrf n ASN 10 Cb 0.20 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.16 1wrf n ASN 10 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1wrf n ASN 11 N 0.00 -5.21 0.38 1.20 4.05 -1.26 -4.87 115.26 109.55 1wrf n ASN 11 Ca 0.00 0.25 -0.16 0.00 0.45 0.00 0.00 54.58 55.11 1wrf n ASN 11 Cb 0.00 -3.58 -0.08 0.00 1.23 0.00 0.00 39.78 37.35 1wrf n ASN 11 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 1wrf h GLU 12 N 0.08 -0.98 -6.58 1.20 3.07 -1.92 -3.41 114.58 106.04 1wrf h GLU 12 Ca -0.20 0.07 -0.53 0.00 -0.50 0.00 0.00 59.36 58.19 1wrf h GLU 12 Cb 0.98 0.22 0.05 0.00 -0.84 0.00 0.00 28.75 29.17 1wrf h GLU 12 CO 0.30 -0.65 1.02 -0.89 -1.40 0.00 0.00 179.01 177.39 1wrf n ILE 13 N -4.90 0.13 0.66 3.13 5.41 -1.26 -3.06 119.36 119.48 1wrf n ILE 13 Ca -0.12 -0.02 0.12 0.00 1.00 0.00 0.00 62.75 63.73 1wrf n ILE 13 Cb 0.41 -1.98 0.29 0.00 -0.71 0.00 0.00 39.64 37.65 1wrf n ILE 13 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1wrf n LYS 14 N 4.50 0.23 0.00 0.38 4.76 -0.33 -4.91 118.16 122.79 1wrf n LYS 14 Ca 0.17 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 1wrf n LYS 14 Cb 0.35 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1wrf n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wrf n LYS 15 N -2.05 0.00 -4.29 1.97 4.81 -1.26 -5.02 118.16 112.32 1wrf n LYS 15 Ca 0.04 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.15 1wrf n LYS 15 Cb 0.42 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.32 1wrf n LYS 15 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1wrf s VAL 16 N 0.00 3.00 0.08 3.15 1.01 -1.26 -3.66 120.40 122.71 1wrf s VAL 16 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1wrf s VAL 16 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1wrf s VAL 16 CO 0.00 0.48 -0.17 -0.04 0.00 0.00 0.00 175.10 175.37 1wrf s MET 17 N 1.00 1.95 -0.08 2.72 -1.94 -1.04 -3.81 119.30 118.11 1wrf s MET 17 Ca -0.01 -1.07 0.02 0.00 -1.71 0.00 0.00 55.69 52.92 1wrf s MET 17 Cb -0.15 -2.17 0.01 0.00 2.01 0.00 0.00 34.83 34.53 1wrf s MET 17 CO -0.01 0.51 -0.14 0.08 -0.01 0.00 0.00 175.02 175.44 1wrf s VAL 18 N -1.06 1.31 -1.07 -6.03 1.01 -1.14 -1.87 120.40 111.56 1wrf s VAL 18 Ca 0.17 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1wrf s VAL 18 Cb -0.11 -1.18 0.09 0.00 0.00 0.00 0.00 36.38 35.17 1wrf s VAL 18 CO 0.08 0.40 1.42 -0.62 0.00 0.00 0.00 175.10 176.38 1wrf s ASP 19 N 0.68 6.65 0.00 3.32 2.15 -1.23 -3.19 116.67 125.04 1wrf s ASP 19 Ca -0.14 -1.92 0.00 0.00 0.43 0.00 0.00 52.55 50.92 1wrf s ASP 19 Cb -0.16 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1wrf s ASP 19 CO 0.04 -1.27 0.00 0.61 -0.17 0.00 0.00 175.17 174.38 1wrf n GLY 20 N 6.01 -0.71 0.00 2.66 0.00 -1.26 -4.83 105.19 107.07 1wrf n GLY 20 Ca 0.34 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1wrf n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrf s HIS 22 N -0.76 1.42 0.12 0.00 0.09 -1.26 -4.26 115.29 110.63 1wrf s HIS 22 Ca 0.00 -1.49 0.08 0.00 -0.00 0.00 0.00 55.06 53.65 1wrf s HIS 22 Cb 0.00 -0.55 -0.04 0.00 -0.00 0.00 0.00 32.58 31.99 1wrf s HIS 22 CO 0.00 -0.84 -0.12 0.20 -0.00 0.00 0.00 174.74 173.98 1wrf s GLY 23 N -3.27 1.76 0.00 -2.22 0.00 -1.20 -4.45 107.32 97.94 1wrf s GLY 23 Ca 0.38 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1wrf s GLY 23 CO 0.21 -1.29 0.00 -1.14 0.00 0.00 0.00 173.10 170.88 1wrf n SER 24 N 0.66 -0.61 -3.90 1.64 3.41 -1.26 -4.78 113.62 108.78 1wrf n SER 24 Ca -0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.27 1wrf n SER 24 Cb 0.53 -1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.38 1wrf n SER 24 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wrf s ASP 25 N -2.54 1.81 0.17 4.04 1.01 -1.26 -5.13 116.67 114.78 1wrf s ASP 25 Ca 0.00 -1.62 -0.30 0.00 0.71 0.00 0.00 52.55 51.34 1wrf s ASP 25 Cb 0.00 0.44 -0.07 0.00 1.01 0.00 0.00 42.92 44.30 1wrf s ASP 25 CO 0.00 -0.93 1.07 -2.16 0.21 0.00 0.00 175.17 173.37 1wrf s PRO 26 N -3.73 4.62 -0.07 8.23 0.04 -1.26 -4.81 135.00 138.03 1wrf s PRO 26 Ca 0.34 1.67 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1wrf s PRO 26 Cb 0.04 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1wrf s PRO 26 CO 0.19 0.12 -0.09 0.00 0.04 0.00 0.00 177.00 177.25 1wrf s ILE 28 N -0.71 3.36 -0.28 0.00 -1.09 -1.25 -0.61 121.20 120.61 1wrf s ILE 28 Ca 0.11 -0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 57.62 1wrf s ILE 28 Cb -0.11 -2.69 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 1wrf s ILE 28 CO 0.01 0.19 0.13 -0.63 -1.23 0.00 0.00 174.94 173.41 1wrf s ILE 29 N 1.41 4.67 -0.15 2.92 1.01 -0.66 -4.87 121.20 125.54 1wrf s ILE 29 Ca 0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 1wrf s ILE 29 Cb -0.16 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1wrf s ILE 29 CO -0.02 0.20 0.80 -1.00 0.00 0.00 0.00 174.94 174.93 1wrf s HIS 30 N 1.65 3.46 0.01 3.97 3.76 -1.26 -1.77 115.29 125.10 1wrf s HIS 30 Ca 0.06 1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 55.92 1wrf s HIS 30 Cb -0.16 -2.97 -0.06 0.00 1.11 0.00 0.00 32.58 30.50 1wrf s HIS 30 CO 0.06 -0.17 1.39 -0.98 -0.85 0.00 0.00 174.74 174.20 1wrf s ARG 31 N 1.85 4.29 0.00 1.40 1.70 -1.18 -2.71 118.95 124.30 1wrf s ARG 31 Ca 0.38 1.96 0.00 0.00 -0.47 0.00 0.00 55.73 57.60 1wrf s ARG 31 Cb -0.17 -3.55 0.00 0.00 -0.57 0.00 0.00 34.95 30.66 1wrf s ARG 31 CO 0.14 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.21 1wrf n GLY 32 N 3.62 0.93 3.65 3.88 0.00 -1.12 -4.72 105.19 111.44 1wrf n GLY 32 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1wrf n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wrf s LYS 33 N -0.37 2.32 0.17 1.61 -2.85 -1.10 -4.81 119.74 114.72 1wrf s LYS 33 Ca 0.00 -1.33 -0.30 0.00 -1.00 0.00 0.00 55.97 53.34 1wrf s LYS 33 Cb 0.00 -2.22 -0.07 0.00 -2.06 0.00 0.00 37.83 33.48 1wrf s LYS 33 CO 0.00 0.39 1.02 -1.25 0.10 0.00 0.00 175.35 175.61 1wrf s PRO 34 N -3.47 4.69 -0.22 1.78 0.04 -1.26 -1.64 135.00 134.91 1wrf s PRO 34 Ca 0.30 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1wrf s PRO 34 Cb -0.07 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1wrf s PRO 34 CO 0.19 0.22 -0.13 0.12 0.04 0.00 0.00 177.00 177.45 1wrf s PHE 35 N -0.38 2.97 -0.09 0.56 5.36 -0.29 -4.80 117.98 121.31 1wrf s PHE 35 Ca 0.47 -1.66 -0.11 0.00 -0.96 0.00 0.00 56.93 54.67 1wrf s PHE 35 Cb -0.27 -1.98 -0.05 0.00 -0.34 0.00 0.00 43.02 40.38 1wrf s PHE 35 CO 0.33 -0.77 0.26 0.99 -1.46 0.00 0.00 175.22 174.57 1wrf s THR 36 N 1.29 5.30 -0.13 0.12 2.01 -1.26 0.50 115.64 123.47 1wrf s THR 36 Ca 0.01 0.49 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 1wrf s THR 36 Cb -0.15 -3.56 0.06 0.00 0.01 0.00 0.00 72.50 68.85 1wrf s THR 36 CO -0.08 0.54 0.29 -1.48 -0.69 0.00 0.00 174.62 173.20 1wrf s LEU 37 N -0.62 0.01 -0.24 4.42 0.05 -1.02 -3.54 118.68 117.74 1wrf s LEU 37 Ca 0.18 0.64 -0.10 0.00 0.05 0.00 0.00 54.13 54.89 1wrf s LEU 37 Cb -0.14 0.86 -0.05 0.00 -2.05 0.00 0.00 46.19 44.81 1wrf s LEU 37 CO 0.07 -0.20 0.15 -1.61 -0.55 0.00 0.00 176.35 174.21 1wrf s GLU 38 N 1.78 4.07 -0.16 1.48 2.02 -0.78 -3.24 118.70 123.86 1wrf s GLU 38 Ca -0.05 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1wrf s GLU 38 Cb -0.11 -3.52 0.03 0.00 0.10 0.00 0.00 34.13 30.63 1wrf s GLU 38 CO -0.09 0.07 -0.13 0.00 0.02 0.00 0.00 175.26 175.13 1wrf s ALA 39 N 1.01 1.90 0.06 5.21 0.00 -1.03 -2.49 121.76 126.42 1wrf s ALA 39 Ca 0.07 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1wrf s ALA 39 Cb -0.13 -1.12 -0.06 0.00 0.00 0.00 0.00 23.12 21.80 1wrf s ALA 39 CO 0.04 -0.51 0.50 -0.51 0.00 0.00 0.00 175.76 175.28 1wrf s LEU 40 N 1.46 4.48 -0.20 0.00 1.43 -1.24 -2.94 118.68 121.67 1wrf s LEU 40 Ca 0.03 1.11 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 1wrf s LEU 40 Cb -0.14 -2.83 0.06 0.00 0.03 0.00 0.00 46.19 43.31 1wrf s LEU 40 CO -0.10 0.27 0.60 0.72 0.23 0.00 0.00 176.35 178.06 1wrf s PHE 41 N -1.16 -0.64 -0.43 0.29 -0.12 -0.97 -1.19 117.98 113.77 1wrf s PHE 41 Ca 0.28 1.52 -0.25 0.00 -0.05 0.00 0.00 56.93 58.42 1wrf s PHE 41 Cb -0.18 0.24 0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1wrf s PHE 41 CO 0.17 -0.34 0.92 -0.51 -0.05 0.00 0.00 175.22 175.41 1wrf s ASP 42 N 0.13 6.55 -0.40 1.98 1.11 -1.17 -1.39 116.67 123.47 1wrf s ASP 42 Ca -0.01 0.27 -0.41 0.00 0.18 0.00 0.00 52.55 52.58 1wrf s ASP 42 Cb -0.04 -2.45 -0.16 0.00 1.07 0.00 0.00 42.92 41.34 1wrf s ASP 42 CO 0.02 -0.98 2.00 0.00 1.18 0.00 0.00 175.17 177.39 1wrf n ALA 43 N 7.03 0.22 1.00 5.23 0.00 0.16 -4.75 120.51 129.41 1wrf n ALA 43 Ca 0.06 0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.75 1wrf n ALA 43 Cb 0.48 -2.24 0.14 0.00 0.00 0.00 0.00 19.45 17.83 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 7.36 1.68 -3.60 0.00 0.23 -1.26 -0.90 115.26 118.77 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 0.08 -0.21 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 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 -1.58 0.65 -0.25 -3.83 -2.07 -1.26 -4.91 119.66 106.41 1wrf s GLN 45 Ca 0.21 0.49 -0.29 0.00 -1.82 0.00 0.00 55.36 53.95 1wrf s GLN 45 Cb 0.11 0.31 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 1wrf s GLN 45 CO 0.14 -0.14 1.02 0.54 -1.32 0.00 0.00 175.29 175.54 1wrf s ASN 46 N -0.31 7.03 0.01 12.60 6.03 -1.25 -3.60 114.94 135.46 1wrf s ASN 46 Ca -0.01 1.26 0.00 0.00 -1.03 0.00 0.00 52.86 53.09 1wrf s ASN 46 Cb -0.03 -2.53 -0.01 0.00 -3.03 0.00 0.00 41.25 35.65 1wrf s ASN 46 CO -0.01 -0.71 -0.03 0.28 -2.03 0.00 0.00 177.10 174.61 1wrf s THR 47 N 3.27 0.16 -1.08 0.54 -1.32 -0.62 -4.76 115.64 111.83 1wrf s THR 47 Ca 0.43 -0.47 0.27 0.00 -1.21 0.00 0.00 61.69 60.72 1wrf s THR 47 Cb -0.14 -0.21 0.16 0.00 -1.51 0.00 0.00 72.50 70.79 1wrf s THR 47 CO 0.08 -0.20 1.69 0.29 -2.21 0.00 0.00 174.62 174.27 1wrf n LYS 48 N 2.37 0.08 -3.74 7.08 4.76 -1.26 -0.32 118.16 127.13 1wrf n LYS 48 Ca -0.17 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.10 1wrf n LYS 48 Cb 0.57 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.94 -0.00 0.13 -0.18 -4.23 -1.26 -4.44 115.64 102.73 1wrf s THR 49 Ca 0.14 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.71 1wrf s THR 49 Cb 0.18 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1wrf s THR 49 CO 0.60 0.00 -0.13 0.00 -0.54 0.00 0.00 174.62 174.55 1wrf s ALA 50 N 0.24 1.49 -0.08 3.99 0.00 -1.26 -4.18 121.76 121.97 1wrf s ALA 50 Ca -0.00 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.63 1wrf s ALA 50 Cb -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1wrf s ALA 50 CO 0.00 0.05 -0.11 0.15 0.00 0.00 0.00 175.76 175.85 1wrf s LYS 51 N -2.95 1.65 -0.21 0.00 1.02 -0.06 -0.04 119.74 119.15 1wrf s LYS 51 Ca 0.11 -0.37 -0.09 0.00 0.02 0.00 0.00 55.97 55.64 1wrf s LYS 51 Cb -0.03 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.79 1wrf s LYS 51 CO 0.03 -0.05 0.12 -1.50 -0.92 0.00 0.00 175.35 173.03 1wrf s ILE 52 N 0.91 5.13 -0.09 2.17 2.07 -1.18 -0.98 121.20 129.23 1wrf s ILE 52 Ca -0.10 0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.20 1wrf s ILE 52 Cb -0.15 -3.35 0.04 0.00 0.13 0.00 0.00 42.46 39.13 1wrf s ILE 52 CO 0.01 0.41 0.09 -1.83 -1.91 0.00 0.00 174.94 171.70 1wrf s GLU 53 N 0.69 -0.01 -0.14 3.50 1.03 -0.50 -4.01 118.70 119.26 1wrf s GLU 53 Ca 0.06 0.27 -0.16 0.00 0.03 0.00 0.00 54.97 55.17 1wrf s GLU 53 Cb -0.13 -0.89 -0.04 0.00 -0.80 0.00 0.00 34.13 32.27 1wrf s GLU 53 CO 0.01 -0.44 0.38 0.42 -1.33 0.00 0.00 175.26 174.30 1wrf s ILE 54 N 2.19 5.25 -0.06 1.83 1.09 -1.26 -2.81 121.20 127.43 1wrf s ILE 54 Ca 0.04 0.73 0.04 0.00 -1.10 0.00 0.00 60.65 60.36 1wrf s ILE 54 Cb -0.13 -3.72 -0.02 0.00 -1.06 0.00 0.00 42.46 37.53 1wrf s ILE 54 CO -0.06 0.36 -0.16 -0.54 -0.10 0.00 0.00 174.94 174.44 1wrf s LYS 55 N 0.56 2.61 -0.12 2.79 1.02 -0.51 -1.83 119.74 124.26 1wrf s LYS 55 Ca 0.21 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.50 1wrf s LYS 55 Cb -0.14 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1wrf s LYS 55 CO 0.07 0.54 -0.23 0.00 -0.92 0.00 0.00 175.35 174.81 1wrf s ALA 56 N -0.52 2.23 -0.29 5.17 0.00 -1.06 -0.58 121.76 126.71 1wrf s ALA 56 Ca 0.07 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1wrf s ALA 56 Cb -0.12 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.16 1wrf s ALA 56 CO 0.01 0.17 -0.04 -1.12 0.00 0.00 0.00 175.76 174.78 1wrf s SER 57 N 0.52 4.69 1.02 0.00 0.01 -0.33 -2.37 113.70 117.23 1wrf s SER 57 Ca -0.14 -1.42 -0.06 0.00 1.31 0.00 0.00 55.95 55.63 1wrf s SER 57 Cb -0.17 -1.63 0.09 0.00 0.21 0.00 0.00 66.02 64.51 1wrf s SER 57 CO 0.05 -0.25 0.45 0.18 0.41 0.00 0.00 173.24 174.08 1wrf n LEU 58 N 4.50 0.00 -0.21 2.44 4.77 -0.36 -0.87 117.00 127.27 1wrf n LEU 58 Ca -0.12 -0.49 0.19 0.00 -0.03 0.00 0.00 56.01 55.56 1wrf n LEU 58 Cb 0.43 -0.36 0.53 0.00 -2.33 0.00 0.00 43.42 41.69 1wrf n LEU 58 CO 0.24 -0.96 1.22 -2.24 -1.33 0.00 0.00 177.39 174.32 1wrf h ASP 59 N -0.83 0.36 0.00 -1.43 2.03 -1.46 -3.31 116.42 111.78 1wrf h ASP 59 Ca -0.15 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1wrf h ASP 59 Cb 0.42 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1wrf h ASP 59 CO 0.10 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.08 1wrf n GLY 60 N -1.54 0.72 3.18 7.15 0.00 -1.26 -5.04 105.19 108.40 1wrf n GLY 60 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1wrf n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wrf s LEU 61 N 0.00 4.28 -0.19 0.99 2.96 -1.25 -5.07 118.68 120.40 1wrf s LEU 61 Ca 0.00 -1.42 -0.14 0.00 -0.22 0.00 0.00 54.13 52.35 1wrf s LEU 61 Cb 0.00 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1wrf s LEU 61 CO 0.00 -0.34 0.31 -0.70 -1.32 0.00 0.00 176.35 174.31 1wrf s GLU 62 N 1.25 4.20 0.26 1.98 -6.30 -1.26 -1.23 118.70 117.61 1wrf s GLU 62 Ca -0.01 0.08 -0.09 0.00 -2.50 0.00 0.00 54.97 52.45 1wrf s GLU 62 Cb -0.20 -3.49 -0.01 0.00 0.00 0.00 0.00 34.13 30.43 1wrf s GLU 62 CO -0.01 0.11 0.42 0.42 0.02 0.00 0.00 175.26 176.22 1wrf s ILE 63 N 0.88 0.00 -0.26 -3.70 -1.09 -1.00 -5.02 121.20 111.01 1wrf s ILE 63 Ca 0.16 -1.54 -0.05 0.00 -2.23 0.00 0.00 60.65 56.99 1wrf s ILE 63 Cb -0.14 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 1wrf s ILE 63 CO 0.05 0.00 0.01 1.51 -1.23 0.00 0.00 174.94 175.29 1wrf s ASP 64 N -3.09 4.73 -0.30 3.58 1.47 -1.26 -2.55 116.67 119.25 1wrf s ASP 64 Ca 0.27 -0.66 -0.28 0.00 1.18 0.00 0.00 52.55 53.06 1wrf s ASP 64 Cb 0.01 -1.79 -0.02 0.00 -0.34 0.00 0.00 42.92 40.77 1wrf s ASP 64 CO 0.12 -0.13 1.85 -0.69 0.68 0.00 0.00 175.17 177.00 1wrf s VAL 65 N 1.45 3.42 0.00 2.11 1.01 -0.76 -4.91 120.40 122.72 1wrf s VAL 65 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1wrf s VAL 65 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1wrf s VAL 65 CO -0.01 -0.34 0.00 -0.81 0.00 0.00 0.00 175.10 173.94 1wrf n PRO 66 N 8.42 2.25 -3.92 2.72 -0.04 -1.26 -4.42 135.00 138.76 1wrf n PRO 66 Ca 0.24 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.42 1wrf n PRO 66 Cb 0.46 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.35 0.00 0.55 0.00 -1.26 -4.74 105.19 104.39 1wrf n GLY 67 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.44 0.00 -3.96 -0.61 -5.35 -1.26 -4.03 119.36 99.71 1wrf n ILE 68 Ca -0.16 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 61.99 1wrf n ILE 68 Cb 0.61 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.37 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 1.02 4.81 -0.53 7.28 2.15 -1.26 -4.96 116.67 125.18 1wrf s ASP 69 Ca 0.00 -1.69 -0.03 0.00 0.43 0.00 0.00 52.55 51.25 1wrf s ASP 69 Cb 0.00 -1.67 0.12 0.00 -0.30 0.00 0.00 42.92 41.07 1wrf s ASP 69 CO 0.00 -0.33 2.63 0.35 -0.17 0.00 0.00 175.17 177.65 1wrf n THR 70 N 4.47 3.37 0.00 1.71 -2.24 -1.26 -3.08 114.28 117.25 1wrf n THR 70 Ca -0.07 -3.23 0.00 0.00 -2.27 0.00 0.00 64.05 58.48 1wrf n THR 70 Cb 0.42 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 0.60 0.00 0.00 3.42 5.15 -1.25 -4.73 115.26 118.45 1wrf n ASN 71 Ca 0.50 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.52 1wrf n ASN 71 Cb 0.49 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.97 1wrf n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wrf n ALA 72 N 0.00 1.65 0.32 5.20 0.00 0.94 -2.86 120.51 125.76 1wrf n ALA 72 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1wrf n ALA 72 Cb 0.00 -1.14 0.19 0.00 0.00 0.00 0.00 19.45 18.50 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 0.09 0.00 0.00 2.76 -1.88 -3.29 115.15 112.83 1wrf h HIS 74 Ca 0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1wrf h HIS 74 Cb 0.14 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1wrf h HIS 74 CO 0.00 0.87 -1.52 1.19 -1.30 0.00 0.00 177.93 177.17 1wrf n PHE 75 N -3.60 0.00 -4.22 5.26 3.72 -0.41 -4.99 117.46 113.23 1wrf n PHE 75 Ca -0.02 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 1wrf n PHE 75 Cb 0.79 -0.29 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 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 -2.97 2.28 -0.83 -4.37 -7.23 0.07 -4.36 120.40 102.98 1wrf s VAL 76 Ca -0.03 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.21 1wrf s VAL 76 Cb 0.11 -2.99 0.17 0.00 0.56 0.00 0.00 36.38 34.23 1wrf s VAL 76 CO 0.66 -0.01 0.89 -1.59 -0.31 0.00 0.00 175.10 174.73 1wrf s LYS 77 N -3.86 3.53 0.39 4.82 -2.85 -1.26 -4.56 119.74 115.94 1wrf s LYS 77 Ca 0.40 -2.07 -0.15 0.00 -1.00 0.00 0.00 55.97 53.15 1wrf s LYS 77 Cb 0.05 -4.59 -0.08 0.00 -2.06 0.00 0.00 37.83 31.15 1wrf s LYS 77 CO 0.22 -1.49 0.81 0.00 0.10 0.00 0.00 175.35 174.99 1wrf s PRO 79 N -3.40 4.37 -0.56 0.00 0.04 -1.26 -5.04 135.00 129.15 1wrf s PRO 79 Ca 0.55 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.35 1wrf s PRO 79 Cb -0.10 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1wrf s PRO 79 CO 0.22 -0.31 1.51 -0.51 0.04 0.00 0.00 177.00 177.95 1wrf s LEU 80 N 0.36 3.37 0.28 -3.56 1.43 0.56 -4.79 118.68 116.34 1wrf s LEU 80 Ca 0.59 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 1wrf s LEU 80 Cb -0.36 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 42.80 1wrf s LEU 80 CO 0.35 -1.83 1.19 -0.69 0.23 0.00 0.00 176.35 175.60 1wrf s VAL 81 N 6.59 3.25 -0.41 -1.59 1.01 -1.26 -1.59 120.40 126.39 1wrf s VAL 81 Ca 0.55 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 63.47 1wrf s VAL 81 Cb -0.12 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1wrf s VAL 81 CO 0.24 0.27 1.77 -0.75 0.00 0.00 0.00 175.10 176.64 1wrf s LYS 82 N -1.31 3.17 0.00 2.72 2.20 -1.24 -2.42 119.74 122.86 1wrf s LYS 82 Ca 0.48 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 1wrf s LYS 82 Cb -0.35 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.75 1wrf s LYS 82 CO 0.44 -2.06 0.00 0.41 -0.36 0.00 0.00 175.35 173.78 1wrf n GLY 83 N 5.46 1.39 3.92 5.54 0.00 -0.07 -4.87 105.19 116.55 1wrf n GLY 83 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 3.48 -0.06 1.61 2.00 -1.01 -4.86 119.66 120.82 1wrf s GLN 84 Ca 0.00 -0.40 -0.06 0.00 -2.00 0.00 0.00 55.36 52.90 1wrf s GLN 84 Cb 0.00 -2.97 -0.04 0.00 0.80 0.00 0.00 33.01 30.80 1wrf s GLN 84 CO 0.00 0.55 0.19 -1.14 -0.50 0.00 0.00 175.29 174.38 1wrf s GLN 85 N -2.76 3.49 0.13 1.67 0.74 -1.26 -0.67 119.66 121.00 1wrf s GLN 85 Ca 0.36 -0.15 0.11 0.00 0.05 0.00 0.00 55.36 55.73 1wrf s GLN 85 Cb -0.12 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.80 1wrf s GLN 85 CO 0.28 0.72 -0.26 0.71 -0.55 0.00 0.00 175.29 176.19 1wrf s TYR 86 N -1.17 2.24 -0.25 1.67 1.51 -0.49 -4.92 117.35 115.94 1wrf s TYR 86 Ca 0.21 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1wrf s TYR 86 Cb -0.13 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1wrf s TYR 86 CO 0.11 0.34 -0.07 0.16 -1.11 0.00 0.00 175.55 174.98 1wrf s ASP 87 N -2.10 4.28 -0.28 2.29 1.47 -1.26 -2.29 116.67 118.78 1wrf s ASP 87 Ca 0.14 -0.90 -0.07 0.00 1.18 0.00 0.00 52.55 52.91 1wrf s ASP 87 Cb -0.10 -1.65 -0.00 0.00 -0.34 0.00 0.00 42.92 40.83 1wrf s ASP 87 CO 0.06 -0.13 0.07 -0.51 0.68 0.00 0.00 175.17 175.34 1wrf s ILE 88 N 1.31 3.98 -0.37 2.11 2.07 -1.15 -4.52 121.20 124.63 1wrf s ILE 88 Ca -0.00 -0.55 -0.16 0.00 -1.41 0.00 0.00 60.65 58.52 1wrf s ILE 88 Cb -0.17 -2.99 0.00 0.00 0.13 0.00 0.00 42.46 39.44 1wrf s ILE 88 CO -0.05 0.17 0.39 -0.75 -1.91 0.00 0.00 174.94 172.80 1wrf s LYS 89 N 1.52 3.36 -0.01 3.50 2.36 -1.26 -2.48 119.74 126.73 1wrf s LYS 89 Ca 0.04 -0.57 0.03 0.00 -2.55 0.00 0.00 55.97 52.92 1wrf s LYS 89 Cb -0.16 -3.87 -0.01 0.00 -1.05 0.00 0.00 37.83 32.74 1wrf s LYS 89 CO 0.02 -0.66 -0.12 -0.47 1.55 0.00 0.00 175.35 175.68 1wrf s TYR 90 N 2.05 1.08 0.11 4.03 5.04 -1.20 -4.82 117.35 123.64 1wrf s TYR 90 Ca 0.12 -0.22 -0.17 0.00 -2.44 0.00 0.00 57.07 54.35 1wrf s TYR 90 Cb -0.17 -0.71 -0.07 0.00 0.35 0.00 0.00 41.96 41.36 1wrf s TYR 90 CO 0.12 -0.04 0.57 0.95 -1.34 0.00 0.00 175.55 175.81 1wrf s THR 91 N -0.17 4.78 -0.50 4.34 -4.23 -1.26 -2.44 115.64 116.16 1wrf s THR 91 Ca 0.03 1.06 0.03 0.00 -1.18 0.00 0.00 61.69 61.63 1wrf s THR 91 Cb -0.06 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.09 1wrf s THR 91 CO -0.00 0.41 0.27 0.86 -0.54 0.00 0.00 174.62 175.62 1wrf s TRP 92 N -1.28 2.76 -0.40 3.99 -0.00 0.18 -4.81 118.94 119.38 1wrf s TRP 92 Ca 0.33 -2.91 -0.27 0.00 -0.00 0.00 0.00 56.10 53.25 1wrf s TRP 92 Cb -0.17 -2.45 -0.06 0.00 -0.00 0.00 0.00 33.47 30.78 1wrf s TRP 92 CO 0.19 -0.74 2.32 -0.80 -0.00 0.00 0.00 176.95 177.92 1wrf s ASN 93 N -0.16 4.82 0.42 5.86 0.02 -1.26 -1.14 114.94 123.51 1wrf s ASN 93 Ca 0.18 1.33 -0.26 0.00 -1.02 0.00 0.00 52.86 53.09 1wrf s ASN 93 Cb -0.23 -2.51 -0.09 0.00 0.02 0.00 0.00 41.25 38.45 1wrf s ASN 93 CO -0.02 -2.55 1.38 -0.69 0.02 0.00 0.00 177.10 175.25 1wrf s VAL 94 N 10.75 2.31 0.04 1.60 1.01 -0.65 -4.74 120.40 130.72 1wrf s VAL 94 Ca 0.97 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.93 1wrf s VAL 94 Cb -0.22 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 1wrf s VAL 94 CO 0.29 0.04 1.35 -2.16 0.00 0.00 0.00 175.10 174.62 1wrf s PRO 95 N -2.30 4.33 0.00 2.72 0.04 -1.26 -2.78 135.00 135.74 1wrf s PRO 95 Ca 0.58 1.94 0.10 0.00 0.04 0.00 0.00 61.00 63.66 1wrf s PRO 95 Cb -0.42 -3.43 0.59 0.00 0.04 0.00 0.00 34.50 31.29 1wrf s PRO 95 CO 0.54 -0.46 1.02 1.63 0.04 0.00 0.00 177.00 179.77 1wrf n LYS 96 N 4.66 0.46 0.03 4.56 4.76 -1.26 -2.18 118.16 129.19 1wrf n LYS 96 Ca 0.12 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.55 1wrf n LYS 96 Cb 0.44 -1.34 -0.08 0.00 -1.84 0.00 0.00 35.03 32.21 1wrf n LYS 96 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1wrf h ILE 97 N 0.00 0.57 -0.64 -0.18 3.07 -1.93 -3.47 117.51 114.94 1wrf h ILE 97 Ca 0.00 -2.11 -0.82 0.00 1.55 0.00 0.00 64.86 63.49 1wrf h ILE 97 Cb 0.00 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 1wrf h ILE 97 CO 0.00 0.33 0.88 0.00 -1.05 0.00 0.00 178.15 178.30 1wrf n ALA 98 N -2.40 -0.80 -2.19 0.16 0.00 -0.92 -4.86 120.51 109.48 1wrf n ALA 98 Ca -0.10 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.33 1wrf n ALA 98 Cb 0.86 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 3.89 4.47 -0.83 0.00 0.04 -1.26 -4.83 135.00 136.49 1wrf s PRO 99 Ca 1.07 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 1wrf s PRO 99 Cb -1.45 -3.30 -0.19 0.00 0.04 0.00 0.00 34.50 29.60 1wrf s PRO 99 CO 0.74 0.47 2.36 1.63 0.04 0.00 0.00 177.00 182.25 1wrf n LYS 100 N 2.08 0.44 -3.66 4.56 5.02 -1.26 -4.85 118.16 120.49 1wrf n LYS 100 Ca -0.05 -0.57 -0.36 0.00 -2.02 0.00 0.00 58.31 55.31 1wrf n LYS 100 Cb 0.50 -2.97 -0.08 0.00 -0.02 0.00 0.00 35.03 32.45 1wrf n LYS 100 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wrf s SER 101 N 8.28 6.26 0.28 4.39 0.15 -1.25 -4.97 113.70 126.85 1wrf s SER 101 Ca 1.04 0.30 -0.03 0.00 0.70 0.00 0.00 55.95 57.96 1wrf s SER 101 Cb -0.34 -2.12 0.59 0.00 -1.71 0.00 0.00 66.02 62.45 1wrf s SER 101 CO 0.22 0.14 1.49 -1.84 1.20 0.00 0.00 173.24 174.45 1wrf n GLU 102 N 3.66 -0.08 -4.23 5.44 0.28 -1.26 -3.44 120.64 121.00 1wrf n GLU 102 Ca -0.15 1.46 -0.17 0.00 -0.16 0.00 0.00 57.16 58.14 1wrf n GLU 102 Cb 0.52 -2.25 -0.13 0.00 1.43 0.00 0.00 31.44 31.01 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 -5.12 1.23 0.04 -1.84 -0.87 -1.26 -4.60 114.94 102.51 1wrf s ASN 103 Ca -0.13 -0.41 0.02 0.00 -1.57 0.00 0.00 52.86 50.77 1wrf s ASN 103 Cb 0.27 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.25 41.42 1wrf s ASN 103 CO 0.75 -0.03 -0.08 -0.69 -2.57 0.00 0.00 177.10 174.48 1wrf s VAL 104 N -0.86 0.54 -0.19 1.60 1.01 -0.34 -1.14 120.40 121.03 1wrf s VAL 104 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1wrf s VAL 104 Cb -0.07 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1wrf s VAL 104 CO 0.01 -0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 173.92 1wrf s VAL 105 N -1.27 1.94 -0.09 2.92 1.01 -0.04 -3.40 120.40 121.46 1wrf s VAL 105 Ca -0.09 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 1wrf s VAL 105 Cb -0.09 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1wrf s VAL 105 CO 0.00 0.39 0.19 -0.69 0.00 0.00 0.00 175.10 175.00 1wrf s VAL 106 N 1.31 5.42 -0.14 2.92 1.01 -1.26 -1.19 120.40 128.47 1wrf s VAL 106 Ca 0.02 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1wrf s VAL 106 Cb -0.14 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1wrf s VAL 106 CO -0.11 0.60 -0.10 -0.89 0.00 0.00 0.00 175.10 174.60 1wrf s THR 107 N -1.05 1.34 -0.21 3.92 2.01 0.26 -2.17 115.64 119.74 1wrf s THR 107 Ca 0.17 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.47 1wrf s THR 107 Cb -0.13 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1wrf s THR 107 CO 0.06 0.35 0.29 0.54 -0.69 0.00 0.00 174.62 175.18 1wrf s VAL 108 N 1.57 5.27 0.06 3.82 0.11 -0.67 -1.43 120.40 129.13 1wrf s VAL 108 Ca 0.04 0.49 0.03 0.00 -2.93 0.00 0.00 61.98 59.61 1wrf s VAL 108 Cb -0.13 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1wrf s VAL 108 CO -0.09 0.31 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.13 1wrf s LYS 109 N 1.10 0.66 -0.02 1.54 2.20 -1.13 0.04 119.74 124.13 1wrf s LYS 109 Ca 0.14 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1wrf s LYS 109 Cb -0.14 -0.48 -0.00 0.00 -1.51 0.00 0.00 37.83 35.69 1wrf s LYS 109 CO 0.06 0.09 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.51 1wrf s LEU 110 N -1.76 1.90 -0.10 5.43 1.43 -1.18 -1.41 118.68 122.98 1wrf s LEU 110 Ca -0.05 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1wrf s LEU 110 Cb -0.09 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.46 1wrf s LEU 110 CO 0.01 0.12 0.00 -0.63 0.23 0.00 0.00 176.35 176.08 1wrf s ILE 111 N -0.02 0.47 0.00 -0.59 1.09 -0.16 0.20 121.20 122.19 1wrf s ILE 111 Ca -0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 1wrf s ILE 111 Cb -0.08 -0.70 0.00 0.00 -1.06 0.00 0.00 42.46 40.62 1wrf s ILE 111 CO 0.01 0.16 0.00 0.61 -0.10 0.00 0.00 174.94 175.61 1wrf n GLY 112 N 5.11 0.71 0.00 6.18 0.00 -0.56 -0.88 105.19 115.75 1wrf n GLY 112 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.41 -0.11 1.61 -0.08 -1.26 -4.67 116.55 112.46 1wrf n ASP 113 Ca 0.00 -0.71 0.03 0.00 -1.51 0.00 0.00 54.79 52.60 1wrf n ASP 113 Cb 0.00 0.41 -0.01 0.00 2.34 0.00 0.00 41.12 43.86 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 -0.41 0.80 0.00 1.67 5.15 -1.26 -5.10 115.26 116.11 1wrf n ASN 114 Ca 0.00 -0.90 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1wrf n ASN 114 Cb 0.02 0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 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 0.82 -0.46 3.58 8.20 0.00 -1.26 -5.06 105.19 111.00 1wrf n GLY 115 Ca 0.02 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.96 4.33 0.34 1.61 1.01 -1.26 -1.50 120.40 121.96 1wrf s VAL 116 Ca 0.00 0.90 0.09 0.00 0.00 0.00 0.00 61.98 62.97 1wrf s VAL 116 Cb 0.00 -4.53 0.32 0.00 0.00 0.00 0.00 36.38 32.17 1wrf s VAL 116 CO 0.00 -0.97 1.79 -0.07 0.00 0.00 0.00 175.10 175.85 1wrf h LEU 117 N 10.96 0.68 0.00 3.92 3.38 0.19 -3.46 115.31 130.99 1wrf h LEU 117 Ca -0.24 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1wrf h LEU 117 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wrf h LEU 117 CO 1.08 0.24 0.00 0.00 0.09 0.00 0.00 178.44 179.85 1wrf n ALA 118 N -2.38 0.00 0.00 1.53 0.00 -1.10 -4.34 120.51 114.22 1wrf n ALA 118 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1wrf n ALA 118 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.79 -0.58 -0.02 0.00 0.00 0.11 -2.78 121.76 116.69 1wrf s ALA 120 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1wrf s ALA 120 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1wrf s ALA 120 CO 0.00 -0.19 -0.07 0.42 0.00 0.00 0.00 175.76 175.92 1wrf s ILE 121 N -0.82 0.63 -0.11 0.00 1.09 -1.21 -1.67 121.20 119.10 1wrf s ILE 121 Ca -0.09 -0.28 -0.00 0.00 -1.10 0.00 0.00 60.65 59.18 1wrf s ILE 121 Cb -0.05 -0.57 -0.02 0.00 -1.06 0.00 0.00 42.46 40.76 1wrf s ILE 121 CO 0.02 0.20 -0.11 0.00 -0.10 0.00 0.00 174.94 174.95 1wrf s ALA 122 N 0.21 2.74 -0.62 9.38 0.00 -0.92 -1.64 121.76 130.90 1wrf s ALA 122 Ca -0.03 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1wrf s ALA 122 Cb -0.08 -1.24 0.36 0.00 0.00 0.00 0.00 23.12 22.16 1wrf s ALA 122 CO 0.00 0.33 1.16 0.25 0.00 0.00 0.00 175.76 177.50 1wrf n THR 123 N 3.18 3.35 0.00 0.00 -2.24 -1.26 -4.14 114.28 113.17 1wrf n THR 123 Ca -0.18 -5.43 0.00 0.00 -2.27 0.00 0.00 64.05 56.17 1wrf n THR 123 Cb 0.53 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1wrf n THR 123 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1wrf n HIS 124 N -0.29 0.00 -4.32 4.78 -0.00 -1.26 -5.12 115.22 109.00 1wrf n HIS 124 Ca 0.36 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.37 1wrf n HIS 124 Cb 0.43 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.19 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 0.00 1.47 -0.09 1.57 0.00 -1.22 -3.39 107.32 105.65 1wrf s GLY 125 Ca 0.00 -1.71 -0.17 0.00 0.00 0.00 0.00 44.72 42.84 1wrf s GLY 125 CO 0.00 -1.67 0.42 0.54 0.00 0.00 0.00 173.10 172.39 1wrf s LYS 126 N -3.82 0.64 -0.07 2.90 1.02 0.22 -1.19 119.74 119.43 1wrf s LYS 126 Ca 0.26 0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.48 1wrf s LYS 126 Cb 0.05 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.62 1wrf s LYS 126 CO 0.07 -0.14 0.02 0.42 -0.92 0.00 0.00 175.35 174.80 1wrf s ILE 127 N -0.55 4.40 0.44 2.17 1.01 -1.22 -1.65 121.20 125.80 1wrf s ILE 127 Ca -0.07 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1wrf s ILE 127 Cb -0.04 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1wrf s ILE 127 CO 0.03 0.56 0.13 -0.13 0.00 0.00 0.00 174.94 175.53 1wrf s ARG 128 N -1.03 2.03 0.00 2.79 0.52 -0.73 -3.82 118.95 118.72 1wrf s ARG 128 Ca 0.15 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 1wrf s ARG 128 Cb -0.11 -0.69 0.00 0.00 0.52 0.00 0.00 34.95 34.67 1wrf s ARG 128 CO 0.04 -0.52 0.49 -3.47 0.02 0.00 0.00 175.30 171.86