#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 4.31 0.40 -1.24 0.74 -1.26 -3.50 119.66 119.10 1wrf s GLN 2 Ca 0.00 2.02 0.08 0.00 0.05 0.00 0.00 55.36 57.50 1wrf s GLN 2 Cb 0.00 -2.97 -0.03 0.00 1.10 0.00 0.00 33.01 31.11 1wrf s GLN 2 CO 0.00 -0.16 0.28 0.14 -0.55 0.00 0.00 175.29 175.00 1wrf s VAL 3 N -1.23 2.69 -0.03 1.34 -7.23 -1.26 -3.45 120.40 111.23 1wrf s VAL 3 Ca 0.51 -1.50 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 1wrf s VAL 3 Cb -0.35 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 1wrf s VAL 3 CO 0.46 -0.04 0.98 -0.62 -0.31 0.00 0.00 175.10 175.57 1wrf s ASP 4 N -4.01 7.32 0.08 4.85 -1.08 -1.26 -4.88 116.67 117.70 1wrf s ASP 4 Ca 0.44 1.61 -0.09 0.00 -0.52 0.00 0.00 52.55 53.99 1wrf s ASP 4 Cb -0.01 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1wrf s ASP 4 CO 0.25 -0.31 0.21 0.68 0.52 0.00 0.00 175.17 176.52 1wrf s VAL 5 N 1.30 0.13 -0.29 1.11 -7.23 -1.26 -4.13 120.40 110.04 1wrf s VAL 5 Ca 0.51 -1.09 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1wrf s VAL 5 Cb -0.20 -1.27 0.06 0.00 0.56 0.00 0.00 36.38 35.53 1wrf s VAL 5 CO 0.25 -0.60 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.64 1wrf s LYS 6 N -3.68 2.23 0.14 4.82 2.47 -0.01 -4.85 119.74 120.86 1wrf s LYS 6 Ca 0.03 -1.39 -0.35 0.00 -1.56 0.00 0.00 55.97 52.71 1wrf s LYS 6 Cb 0.04 -3.06 -0.15 0.00 -1.46 0.00 0.00 37.83 33.20 1wrf s LYS 6 CO -0.10 -0.65 1.48 -0.25 0.16 0.00 0.00 175.35 175.99 1wrf n ASP 7 N 4.49 2.55 -0.99 1.43 9.92 -1.26 -2.11 116.55 130.58 1wrf n ASP 7 Ca -0.12 1.10 0.11 0.00 -0.53 0.00 0.00 54.79 55.35 1wrf n ASP 7 Cb 0.42 -1.34 0.17 0.00 -0.64 0.00 0.00 41.12 39.73 1wrf n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wrf h ALA 9 N 4.03 0.01 0.00 0.00 0.00 -1.83 -3.47 119.26 117.99 1wrf h ALA 9 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wrf h ALA 9 Cb 0.90 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wrf h ALA 9 CO 0.00 0.08 0.00 -1.71 0.00 0.00 0.00 179.25 177.62 1wrf n ASN 10 N -4.71 0.00 0.00 0.00 2.85 -1.26 -4.94 115.26 107.20 1wrf n ASN 10 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1wrf n ASN 10 Cb 0.16 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.18 1wrf n ASN 10 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1wrf n ASN 11 N 0.00 0.00 -0.10 1.20 5.03 -1.26 -5.07 115.26 115.06 1wrf n ASN 11 Ca 0.00 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.27 1wrf n ASN 11 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1wrf n ASN 11 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1wrf n GLU 12 N 0.00 0.54 -2.42 3.52 -0.58 -1.26 -4.84 120.64 115.59 1wrf n GLU 12 Ca 0.00 0.54 -0.42 0.00 -0.42 0.00 0.00 57.16 56.86 1wrf n GLU 12 Cb 0.00 -1.71 -0.03 0.00 -0.57 0.00 0.00 31.44 29.13 1wrf n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wrf s ILE 13 N -2.35 3.90 -0.23 -3.67 1.01 -1.26 -1.90 121.20 116.71 1wrf s ILE 13 Ca -0.26 1.44 0.19 0.00 0.00 0.00 0.00 60.65 62.03 1wrf s ILE 13 Cb 0.05 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.65 1wrf s ILE 13 CO 0.49 0.15 1.18 0.11 0.00 0.00 0.00 174.94 176.87 1wrf h LYS 14 N 6.26 0.00 0.00 2.79 1.79 -1.55 -3.48 116.57 122.37 1wrf h LYS 14 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1wrf h LYS 14 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1wrf h LYS 14 CO 0.79 0.18 0.00 1.17 -1.08 0.00 0.00 179.45 180.51 1wrf n LYS 15 N -2.93 0.00 -4.40 3.15 4.81 -1.26 -5.02 118.16 112.51 1wrf n LYS 15 Ca -0.01 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.10 1wrf n LYS 15 Cb 0.66 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.55 1wrf n LYS 15 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wrf s VAL 16 N 0.00 2.17 0.23 3.15 0.11 -1.26 -3.16 120.40 121.64 1wrf s VAL 16 Ca 0.00 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 1wrf s VAL 16 Cb 0.00 -1.90 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 1wrf s VAL 16 CO 0.00 0.54 0.20 -0.04 -3.33 0.00 0.00 175.10 172.46 1wrf s MET 17 N 1.04 2.97 -0.17 1.54 1.00 -0.59 -4.16 119.30 120.93 1wrf s MET 17 Ca -0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 55.69 54.70 1wrf s MET 17 Cb -0.14 -2.62 0.04 0.00 0.00 0.00 0.00 34.83 32.11 1wrf s MET 17 CO -0.06 0.43 -0.07 0.08 0.00 0.00 0.00 175.02 175.39 1wrf s VAL 18 N -2.02 1.23 -0.89 -6.03 1.01 -1.23 -1.54 120.40 110.94 1wrf s VAL 18 Ca 0.33 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 1wrf s VAL 18 Cb -0.09 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 1wrf s VAL 18 CO 0.25 0.17 2.02 -1.81 0.00 0.00 0.00 175.10 175.73 1wrf s ASP 19 N 1.58 4.93 0.00 3.32 1.01 -1.24 -3.40 116.67 122.86 1wrf s ASP 19 Ca 0.01 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.70 1wrf s ASP 19 Cb -0.15 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1wrf s ASP 19 CO -0.08 -2.95 0.00 0.61 0.21 0.00 0.00 175.17 172.96 1wrf n GLY 20 N 6.83 -0.31 3.89 0.21 0.00 -1.26 -4.84 105.19 109.71 1wrf n GLY 20 Ca 0.41 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.94 -3.02 -4.14 0.00 -0.00 -1.26 -4.09 115.22 101.76 1wrf n HIS 22 Ca -0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1wrf n HIS 22 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 1wrf n HIS 22 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1wrf s GLY 23 N -2.19 1.72 0.00 -1.41 0.00 -1.22 -4.34 107.32 99.88 1wrf s GLY 23 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1wrf s GLY 23 CO 0.00 -1.30 0.00 -1.26 0.00 0.00 0.00 173.10 170.54 1wrf n SER 24 N -0.25 -3.06 -4.29 1.64 2.88 -1.26 -4.85 113.62 104.43 1wrf n SER 24 Ca -0.09 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.28 1wrf n SER 24 Cb 0.55 -2.13 -0.10 0.00 -0.75 0.00 0.00 64.21 61.77 1wrf n SER 24 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wrf s ASP 25 N -2.13 2.22 0.39 -3.46 1.01 -1.26 -5.08 116.67 108.36 1wrf s ASP 25 Ca 0.00 -0.96 -0.23 0.00 0.71 0.00 0.00 52.55 52.07 1wrf s ASP 25 Cb 0.00 -0.09 -0.10 0.00 1.01 0.00 0.00 42.92 43.74 1wrf s ASP 25 CO 0.00 -0.20 0.97 -2.16 0.21 0.00 0.00 175.17 173.99 1wrf s PRO 26 N -3.40 4.31 0.18 8.23 0.04 -1.26 -4.79 135.00 138.31 1wrf s PRO 26 Ca 0.17 1.28 0.09 0.00 0.04 0.00 0.00 61.00 62.59 1wrf s PRO 26 Cb -0.01 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1wrf s PRO 26 CO 0.04 0.03 -0.13 0.00 0.04 0.00 0.00 177.00 176.98 1wrf s ILE 28 N -1.70 3.40 -0.26 0.00 -1.09 -1.25 -0.91 121.20 119.38 1wrf s ILE 28 Ca 0.24 -1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 57.50 1wrf s ILE 28 Cb -0.09 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1wrf s ILE 28 CO 0.14 0.04 0.40 -0.63 -1.23 0.00 0.00 174.94 173.66 1wrf s ILE 29 N 1.38 5.16 -0.00 2.92 1.01 -0.56 -4.87 121.20 126.24 1wrf s ILE 29 Ca -0.00 0.64 -0.22 0.00 0.00 0.00 0.00 60.65 61.07 1wrf s ILE 29 Cb -0.18 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1wrf s ILE 29 CO -0.00 0.16 0.66 -1.00 0.00 0.00 0.00 174.94 174.75 1wrf s HIS 30 N 1.98 3.68 0.25 3.97 3.76 -1.26 -1.81 115.29 125.85 1wrf s HIS 30 Ca 0.17 1.28 -0.31 0.00 -0.15 0.00 0.00 55.06 56.04 1wrf s HIS 30 Cb -0.16 -2.70 -0.13 0.00 1.11 0.00 0.00 32.58 30.71 1wrf s HIS 30 CO 0.09 0.29 1.40 0.54 -0.85 0.00 0.00 174.74 176.21 1wrf n ARG 31 N 2.93 2.04 -1.37 1.40 1.74 -1.21 -0.74 116.66 121.45 1wrf n ARG 31 Ca -0.05 0.73 -0.11 0.00 -0.77 0.00 0.00 57.85 57.64 1wrf n ARG 31 Cb 0.51 -2.38 -0.05 0.00 -1.02 0.00 0.00 32.46 29.52 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 2.08 1.19 3.58 -0.13 0.00 -1.23 -4.79 105.19 105.88 1wrf n GLY 32 Ca 0.11 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.03 2.99 -0.26 1.61 2.20 0.08 -4.67 119.74 118.65 1wrf s LYS 33 Ca 0.00 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 1wrf s LYS 33 Cb 0.00 -2.69 -0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1wrf s LYS 33 CO 0.00 0.58 1.38 -1.25 -0.36 0.00 0.00 175.35 175.69 1wrf s PRO 34 N -0.56 3.92 -0.39 4.03 0.04 -1.26 -1.60 135.00 139.18 1wrf s PRO 34 Ca 0.09 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 1wrf s PRO 34 Cb -0.12 -3.91 0.01 0.00 0.04 0.00 0.00 34.50 30.52 1wrf s PRO 34 CO 0.02 -1.12 0.32 0.12 0.04 0.00 0.00 177.00 176.39 1wrf s PHE 35 N 4.48 3.22 -0.10 0.56 2.19 -0.66 -4.77 117.98 122.90 1wrf s PHE 35 Ca 0.60 -0.40 -0.22 0.00 0.33 0.00 0.00 56.93 57.24 1wrf s PHE 35 Cb -0.19 -2.64 -0.03 0.00 -1.31 0.00 0.00 43.02 38.84 1wrf s PHE 35 CO 0.24 -0.55 0.65 0.99 1.83 0.00 0.00 175.22 178.38 1wrf s THR 36 N 1.82 5.07 -0.04 0.12 2.01 -1.26 -0.49 115.64 122.87 1wrf s THR 36 Ca 0.07 1.31 -0.02 0.00 0.31 0.00 0.00 61.69 63.36 1wrf s THR 36 Cb -0.18 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.38 1wrf s THR 36 CO 0.11 0.24 0.07 -1.48 -0.69 0.00 0.00 174.62 172.87 1wrf s LEU 37 N 0.99 0.43 -0.20 4.42 2.34 -0.85 -3.69 118.68 122.12 1wrf s LEU 37 Ca 0.34 0.11 -0.07 0.00 0.06 0.00 0.00 54.13 54.57 1wrf s LEU 37 Cb -0.17 -0.03 -0.04 0.00 -0.56 0.00 0.00 46.19 45.39 1wrf s LEU 37 CO 0.15 -0.21 0.05 -0.70 -1.06 0.00 0.00 176.35 174.58 1wrf s GLU 38 N 1.79 3.83 -0.05 1.48 2.12 -0.59 -3.03 118.70 124.25 1wrf s GLU 38 Ca -0.00 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 54.94 1wrf s GLU 38 Cb -0.12 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1wrf s GLU 38 CO -0.04 0.12 -0.12 0.00 -0.54 0.00 0.00 175.26 174.69 1wrf s ALA 39 N 0.77 1.18 0.05 6.30 0.00 -1.03 -1.53 121.76 127.49 1wrf s ALA 39 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 1wrf s ALA 39 Cb -0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 23.12 22.44 1wrf s ALA 39 CO 0.02 0.14 0.37 -0.51 0.00 0.00 0.00 175.76 175.78 1wrf s LEU 40 N 0.48 4.37 -0.26 0.00 1.43 -1.19 -2.80 118.68 120.70 1wrf s LEU 40 Ca -0.10 0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 53.54 1wrf s LEU 40 Cb -0.13 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.29 1wrf s LEU 40 CO 0.03 0.21 0.69 0.72 0.23 0.00 0.00 176.35 178.22 1wrf s PHE 41 N -1.34 -0.86 -0.41 0.29 -0.12 -0.85 -1.37 117.98 113.32 1wrf s PHE 41 Ca 0.31 1.94 -0.26 0.00 -0.05 0.00 0.00 56.93 58.87 1wrf s PHE 41 Cb -0.14 0.38 0.02 0.00 -0.63 0.00 0.00 43.02 42.65 1wrf s PHE 41 CO 0.17 -0.42 0.94 -0.51 -0.05 0.00 0.00 175.22 175.35 1wrf s ASP 42 N 0.80 6.60 -0.42 1.98 1.01 -0.80 -1.61 116.67 124.24 1wrf s ASP 42 Ca -0.03 0.38 -0.40 0.00 0.71 0.00 0.00 52.55 53.20 1wrf s ASP 42 Cb -0.05 -2.46 -0.16 0.00 1.01 0.00 0.00 42.92 41.26 1wrf s ASP 42 CO -0.06 -0.97 2.12 0.00 0.21 0.00 0.00 175.17 176.47 1wrf n ALA 43 N 7.01 0.52 2.00 5.23 0.00 0.42 -4.72 120.51 130.97 1wrf n ALA 43 Ca 0.07 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.70 1wrf n ALA 43 Cb 0.48 -2.28 0.51 0.00 0.00 0.00 0.00 19.45 18.16 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 8.28 0.01 -3.50 0.00 0.23 -1.26 -1.15 115.26 117.86 1wrf n ASN 44 Ca 0.47 -1.47 -0.11 0.00 -0.53 0.00 0.00 54.58 52.94 1wrf n ASN 44 Cb 0.08 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.75 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 -2.00 0.92 -0.21 -3.83 -2.07 -1.26 -4.88 119.66 106.32 1wrf s GLN 45 Ca 0.26 -0.18 -0.25 0.00 -1.82 0.00 0.00 55.36 53.37 1wrf s GLN 45 Cb 0.12 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.45 1wrf s GLN 45 CO 0.20 -0.37 0.83 0.54 -1.32 0.00 0.00 175.29 175.17 1wrf s ASN 46 N -2.11 6.88 -0.02 12.60 4.22 -1.25 -3.25 114.94 132.01 1wrf s ASN 46 Ca 0.01 1.09 -0.02 0.00 -2.14 0.00 0.00 52.86 51.80 1wrf s ASN 46 Cb -0.01 -2.44 0.01 0.00 1.28 0.00 0.00 41.25 40.09 1wrf s ASN 46 CO -0.05 -0.46 0.05 0.28 -2.04 0.00 0.00 177.10 174.88 1wrf s THR 47 N 2.52 -0.00 -0.95 0.54 -1.32 -0.59 -4.75 115.64 111.09 1wrf s THR 47 Ca 0.36 0.02 0.28 0.00 -1.21 0.00 0.00 61.69 61.14 1wrf s THR 47 Cb -0.16 -0.09 0.23 0.00 -1.51 0.00 0.00 72.50 70.97 1wrf s THR 47 CO 0.09 0.01 1.85 0.29 -2.21 0.00 0.00 174.62 174.66 1wrf n LYS 48 N 3.14 0.05 -3.77 7.08 4.76 -1.26 -0.93 118.16 127.22 1wrf n LYS 48 Ca -0.13 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 1wrf n LYS 48 Cb 0.59 -1.55 -0.12 0.00 -1.84 0.00 0.00 35.03 32.11 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 -0.01 0.09 -0.18 -4.23 -1.26 -4.47 115.64 102.57 1wrf s THR 49 Ca 0.13 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1wrf s THR 49 Cb 0.18 -0.37 -0.03 0.00 1.34 0.00 0.00 72.50 73.62 1wrf s THR 49 CO 0.56 0.01 -0.19 0.00 -0.54 0.00 0.00 174.62 174.46 1wrf s ALA 50 N 0.38 1.66 -0.03 3.99 0.00 -1.26 -3.74 121.76 122.77 1wrf s ALA 50 Ca -0.02 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.79 1wrf s ALA 50 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1wrf s ALA 50 CO -0.02 0.32 -0.13 0.15 0.00 0.00 0.00 175.76 176.08 1wrf s LYS 51 N -1.84 1.32 0.23 0.00 1.02 -0.24 0.14 119.74 120.36 1wrf s LYS 51 Ca 0.05 -0.45 -0.07 0.00 0.02 0.00 0.00 55.97 55.51 1wrf s LYS 51 Cb -0.10 -1.19 -0.06 0.00 -0.52 0.00 0.00 37.83 35.96 1wrf s LYS 51 CO 0.04 0.19 0.52 -1.50 -0.92 0.00 0.00 175.35 173.68 1wrf s ILE 52 N 0.06 5.00 -0.12 2.17 2.07 -1.19 -0.19 121.20 129.00 1wrf s ILE 52 Ca -0.02 0.27 -0.04 0.00 -1.41 0.00 0.00 60.65 59.45 1wrf s ILE 52 Cb -0.09 -3.65 0.06 0.00 0.13 0.00 0.00 42.46 38.90 1wrf s ILE 52 CO 0.01 -0.12 0.13 -0.70 -1.91 0.00 0.00 174.94 172.35 1wrf s GLU 53 N -2.99 0.05 -0.30 3.50 2.12 0.32 -4.65 118.70 116.74 1wrf s GLU 53 Ca 0.45 0.28 -0.04 0.00 0.36 0.00 0.00 54.97 56.03 1wrf s GLU 53 Cb -0.11 -0.92 0.04 0.00 0.26 0.00 0.00 34.13 33.39 1wrf s GLU 53 CO 0.24 -0.48 0.03 0.42 -0.54 0.00 0.00 175.26 174.93 1wrf s ILE 54 N 2.23 3.30 0.26 -3.70 1.09 -1.24 -0.24 121.20 122.91 1wrf s ILE 54 Ca 0.04 -1.17 0.07 0.00 -1.10 0.00 0.00 60.65 58.49 1wrf s ILE 54 Cb -0.14 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.40 1wrf s ILE 54 CO -0.07 -0.05 0.19 -0.54 -0.10 0.00 0.00 174.94 174.36 1wrf s LYS 55 N 1.33 2.84 0.05 2.79 1.02 -0.77 -2.59 119.74 124.42 1wrf s LYS 55 Ca -0.02 -1.12 0.03 0.00 0.02 0.00 0.00 55.97 54.88 1wrf s LYS 55 Cb -0.19 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1wrf s LYS 55 CO -0.00 0.36 -0.09 0.00 -0.92 0.00 0.00 175.35 174.70 1wrf s ALA 56 N -2.17 0.75 0.14 5.17 0.00 -0.83 -0.88 121.76 123.93 1wrf s ALA 56 Ca 0.34 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.53 1wrf s ALA 56 Cb -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1wrf s ALA 56 CO 0.25 0.01 -0.17 -1.12 0.00 0.00 0.00 175.76 174.73 1wrf s SER 57 N -1.71 3.92 -0.54 0.00 0.01 0.29 -0.74 113.70 114.93 1wrf s SER 57 Ca -0.07 -0.60 0.06 0.00 1.31 0.00 0.00 55.95 56.66 1wrf s SER 57 Cb -0.09 -0.55 0.34 0.00 0.21 0.00 0.00 66.02 65.93 1wrf s SER 57 CO 0.01 0.15 0.91 0.18 0.41 0.00 0.00 173.24 174.90 1wrf n LEU 58 N 0.55 3.82 -1.77 2.44 4.77 0.13 -2.40 117.00 124.55 1wrf n LEU 58 Ca -0.14 -5.56 -0.04 0.00 -0.03 0.00 0.00 56.01 50.23 1wrf n LEU 58 Cb 0.54 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1wrf n LEU 58 CO 0.30 2.34 -0.05 -0.67 -1.33 0.00 0.00 177.39 177.99 1wrf n ASP 59 N -0.14 -1.53 0.00 -1.43 -0.08 -1.02 -2.71 116.55 109.64 1wrf n ASP 59 Ca 0.30 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.82 1wrf n ASP 59 Cb 0.44 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 42.32 1wrf n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wrf n GLY 60 N -0.33 1.15 3.39 0.27 0.00 -1.26 -5.06 105.19 103.35 1wrf n GLY 60 Ca -0.05 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 3.58 -0.21 0.99 2.96 -1.10 -5.08 118.68 119.82 1wrf s LEU 61 Ca 0.00 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1wrf s LEU 61 Cb 0.00 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1wrf s LEU 61 CO 0.00 -0.11 0.13 -1.61 -1.32 0.00 0.00 176.35 173.44 1wrf s GLU 62 N 1.55 4.10 0.52 1.98 2.02 -1.26 0.20 118.70 127.81 1wrf s GLU 62 Ca 0.05 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.80 1wrf s GLU 62 Cb -0.16 -3.42 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 1wrf s GLU 62 CO 0.02 0.21 0.11 0.42 0.02 0.00 0.00 175.26 176.05 1wrf s ILE 63 N 0.60 1.34 -0.02 -1.63 1.01 0.09 -4.96 121.20 117.62 1wrf s ILE 63 Ca 0.07 -1.86 0.02 0.00 0.00 0.00 0.00 60.65 58.89 1wrf s ILE 63 Cb -0.12 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1wrf s ILE 63 CO 0.00 0.00 -0.06 -0.62 0.00 0.00 0.00 174.94 174.26 1wrf s ASP 64 N -3.98 4.68 -0.39 3.58 -1.08 -1.26 -1.97 116.67 116.24 1wrf s ASP 64 Ca 0.15 -0.10 -0.05 0.00 -0.52 0.00 0.00 52.55 52.03 1wrf s ASP 64 Cb 0.01 -1.13 0.08 0.00 -1.46 0.00 0.00 42.92 40.42 1wrf s ASP 64 CO 0.09 0.31 0.18 -0.69 0.52 0.00 0.00 175.17 175.57 1wrf s VAL 65 N -0.95 3.60 0.00 1.11 1.01 -1.07 -4.88 120.40 119.22 1wrf s VAL 65 Ca 0.16 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.51 1wrf s VAL 65 Cb -0.11 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1wrf s VAL 65 CO 0.06 -0.48 0.00 -0.81 0.00 0.00 0.00 175.10 173.87 1wrf n PRO 66 N 4.73 2.16 -2.36 2.72 -0.04 -1.26 -4.53 135.00 136.42 1wrf n PRO 66 Ca -0.08 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 1wrf n PRO 66 Cb 0.42 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 -4.69 105.19 104.43 1wrf n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.84 0.00 -3.53 -0.61 -5.35 -1.26 -4.07 119.36 100.70 1wrf n ILE 68 Ca -0.23 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 1wrf n ILE 68 Cb 0.68 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.48 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 0.57 5.85 -0.22 7.28 2.15 -1.26 -4.94 116.67 126.11 1wrf s ASP 69 Ca 0.00 -1.24 -0.03 0.00 0.43 0.00 0.00 52.55 51.71 1wrf s ASP 69 Cb 0.00 -2.07 0.03 0.00 -0.30 0.00 0.00 42.92 40.58 1wrf s ASP 69 CO 0.00 -0.51 2.54 0.35 -0.17 0.00 0.00 175.17 177.38 1wrf n THR 70 N 5.04 2.79 -2.66 1.71 -2.24 -1.26 -3.14 114.28 114.52 1wrf n THR 70 Ca -0.11 -1.70 -0.04 0.00 -2.27 0.00 0.00 64.05 59.92 1wrf n THR 70 Cb 0.44 -1.57 0.08 0.00 -2.10 0.00 0.00 70.33 67.18 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 1.18 -1.22 0.04 3.42 5.15 -1.24 -4.74 115.26 117.85 1wrf n ASN 71 Ca 0.31 -1.72 0.02 0.00 -0.60 0.00 0.00 54.58 52.60 1wrf n ASN 71 Cb 0.63 0.68 0.12 0.00 -0.53 0.00 0.00 39.78 40.67 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 1.48 0.83 0.20 5.20 0.00 0.36 -1.80 120.51 126.79 1wrf n ALA 72 Ca 0.01 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1wrf n ALA 72 Cb 0.71 -0.88 0.62 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.69 -3.29 115.15 114.04 1wrf h HIS 74 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1wrf h HIS 74 Cb 0.05 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 1wrf h HIS 74 CO 0.00 0.33 -2.26 1.19 0.86 0.00 0.00 177.93 178.05 1wrf n PHE 75 N -3.43 0.00 -3.09 2.45 3.72 -0.26 -4.98 117.46 111.88 1wrf n PHE 75 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 1wrf n PHE 75 Cb 0.51 -0.87 0.01 0.00 -0.94 0.00 0.00 39.48 38.19 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 -2.44 3.72 -0.85 -4.37 -7.23 -0.59 -4.79 120.40 103.85 1wrf s VAL 76 Ca -0.22 -0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 59.02 1wrf s VAL 76 Cb 0.07 -3.34 0.10 0.00 0.56 0.00 0.00 36.38 33.77 1wrf s VAL 76 CO 0.61 -0.19 1.10 -1.59 -0.31 0.00 0.00 175.10 174.72 1wrf s LYS 77 N -4.45 3.45 0.32 4.82 0.00 -1.26 -4.63 119.74 117.98 1wrf s LYS 77 Ca 0.49 -1.42 -0.07 0.00 0.00 0.00 0.00 55.97 54.97 1wrf s LYS 77 Cb -0.10 -4.75 -0.06 0.00 0.00 0.00 0.00 37.83 32.93 1wrf s LYS 77 CO 0.35 -1.83 0.62 0.00 0.00 0.00 0.00 175.35 174.50 1wrf s PRO 79 N -3.54 4.35 -0.38 0.00 0.04 -1.26 -5.05 135.00 129.16 1wrf s PRO 79 Ca 0.47 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 1wrf s PRO 79 Cb -0.11 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1wrf s PRO 79 CO 0.29 -0.32 1.28 -0.51 0.04 0.00 0.00 177.00 177.78 1wrf s LEU 80 N 0.10 3.73 0.15 -3.56 1.43 -0.11 -4.82 118.68 115.61 1wrf s LEU 80 Ca 0.59 0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 54.30 1wrf s LEU 80 Cb -0.38 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.23 1wrf s LEU 80 CO 0.37 -1.22 0.92 -0.69 0.23 0.00 0.00 176.35 175.97 1wrf s VAL 81 N 4.68 4.37 -0.22 -1.59 1.01 -1.26 -1.54 120.40 125.85 1wrf s VAL 81 Ca 0.55 2.01 -0.28 0.00 0.00 0.00 0.00 61.98 64.26 1wrf s VAL 81 Cb -0.13 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1wrf s VAL 81 CO 0.27 0.40 2.19 -0.75 0.00 0.00 0.00 175.10 177.21 1wrf s LYS 82 N -0.48 3.17 0.00 2.72 2.20 -1.20 -1.73 119.74 124.41 1wrf s LYS 82 Ca 0.43 2.02 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1wrf s LYS 82 Cb -0.24 -4.36 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 1wrf s LYS 82 CO 0.30 -2.06 0.00 0.41 -0.36 0.00 0.00 175.35 173.63 1wrf n GLY 83 N 5.70 1.58 3.95 5.54 0.00 -0.30 -4.88 105.19 116.78 1wrf n GLY 83 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 3.47 -0.02 1.61 2.00 -0.71 -4.87 119.66 121.15 1wrf s GLN 84 Ca 0.00 -0.52 0.03 0.00 -2.00 0.00 0.00 55.36 52.86 1wrf s GLN 84 Cb 0.00 -2.85 -0.03 0.00 0.80 0.00 0.00 33.01 30.93 1wrf s GLN 84 CO 0.00 0.39 -0.07 -1.14 -0.50 0.00 0.00 175.29 173.97 1wrf s GLN 85 N -3.70 2.61 0.13 1.67 0.74 -1.26 -0.44 119.66 119.41 1wrf s GLN 85 Ca 0.37 -0.67 0.08 0.00 0.05 0.00 0.00 55.36 55.18 1wrf s GLN 85 Cb -0.10 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 1wrf s GLN 85 CO 0.30 0.62 -0.18 0.71 -0.55 0.00 0.00 175.29 176.19 1wrf s TYR 86 N -0.95 1.72 -0.24 1.67 1.51 -0.63 -4.94 117.35 115.49 1wrf s TYR 86 Ca 0.16 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1wrf s TYR 86 Cb -0.11 -0.90 0.05 0.00 -0.11 0.00 0.00 41.96 40.89 1wrf s TYR 86 CO 0.06 0.24 -0.13 0.34 -1.11 0.00 0.00 175.55 174.95 1wrf s ASP 87 N -2.29 4.08 -0.19 2.29 -1.08 -1.26 -2.00 116.67 116.21 1wrf s ASP 87 Ca 0.10 -1.15 -0.06 0.00 -0.52 0.00 0.00 52.55 50.93 1wrf s ASP 87 Cb -0.07 -1.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.81 1wrf s ASP 87 CO 0.05 -0.13 0.02 -0.51 0.52 0.00 0.00 175.17 175.12 1wrf s ILE 88 N 1.17 4.26 -0.28 4.11 2.07 -1.12 -4.66 121.20 126.76 1wrf s ILE 88 Ca -0.04 -0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 58.88 1wrf s ILE 88 Cb -0.18 -2.92 -0.05 0.00 0.13 0.00 0.00 42.46 39.44 1wrf s ILE 88 CO -0.07 0.44 0.18 -0.75 -1.91 0.00 0.00 174.94 172.83 1wrf s LYS 89 N 0.76 3.91 0.00 3.50 2.20 -1.26 -2.48 119.74 126.37 1wrf s LYS 89 Ca 0.01 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1wrf s LYS 89 Cb -0.14 -3.63 -0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1wrf s LYS 89 CO 0.02 -0.19 -0.03 -0.47 -0.36 0.00 0.00 175.35 174.33 1wrf s TYR 90 N 1.75 0.25 -0.00 4.03 5.04 -1.17 -4.93 117.35 122.31 1wrf s TYR 90 Ca 0.07 -0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 54.47 1wrf s TYR 90 Cb -0.16 -0.16 -0.06 0.00 0.35 0.00 0.00 41.96 41.94 1wrf s TYR 90 CO 0.10 -0.01 0.43 0.95 -1.34 0.00 0.00 175.55 175.68 1wrf s THR 91 N -0.16 5.01 -0.65 4.34 -4.23 -1.26 -2.01 115.64 116.67 1wrf s THR 91 Ca -0.00 0.89 0.05 0.00 -1.18 0.00 0.00 61.69 61.45 1wrf s THR 91 Cb -0.02 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.24 1wrf s THR 91 CO -0.00 0.55 0.43 0.86 -0.54 0.00 0.00 174.62 175.92 1wrf s TRP 92 N -0.91 3.44 -0.28 3.99 -0.00 0.36 -4.80 118.94 120.75 1wrf s TRP 92 Ca 0.24 -3.29 -0.28 0.00 -0.00 0.00 0.00 56.10 52.78 1wrf s TRP 92 Cb -0.17 -2.71 -0.05 0.00 -0.00 0.00 0.00 33.47 30.54 1wrf s TRP 92 CO 0.14 -0.60 2.19 1.21 -0.00 0.00 0.00 176.95 179.89 1wrf s ASN 93 N -1.14 5.36 0.38 5.86 2.47 -1.26 -1.65 114.94 124.96 1wrf s ASN 93 Ca 0.23 1.68 -0.24 0.00 0.42 0.00 0.00 52.86 54.95 1wrf s ASN 93 Cb -0.10 -2.51 -0.13 0.00 -1.45 0.00 0.00 41.25 37.06 1wrf s ASN 93 CO -0.12 -2.07 0.69 0.52 -3.72 0.00 0.00 177.10 172.40 1wrf n VAL 94 N 7.75 1.94 0.49 -5.21 0.31 -0.63 -4.78 118.33 118.20 1wrf n VAL 94 Ca 0.30 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 64.19 1wrf n VAL 94 Cb 0.47 -0.66 0.29 0.00 -0.91 0.00 0.00 33.84 33.02 1wrf n VAL 94 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1wrf n PRO 95 N 0.57 0.06 0.00 5.55 -0.04 -1.26 -3.52 135.00 136.35 1wrf n PRO 95 Ca 0.11 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1wrf n PRO 95 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1wrf n PRO 95 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wrf n LYS 96 N -1.44 0.00 0.05 0.54 3.00 -1.26 -4.70 118.16 114.36 1wrf n LYS 96 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1wrf n LYS 96 Cb 0.13 -1.38 -0.06 0.00 0.00 0.00 0.00 35.03 33.72 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 0.57 -0.47 3.15 3.07 -1.97 -3.44 117.51 118.42 1wrf h ILE 97 Ca 0.00 -2.04 -0.58 0.00 1.55 0.00 0.00 64.86 63.79 1wrf h ILE 97 Cb 0.00 2.11 -0.00 0.00 -0.27 0.00 0.00 36.82 38.65 1wrf h ILE 97 CO 0.00 0.33 0.62 0.00 -1.05 0.00 0.00 178.15 178.05 1wrf n ALA 98 N -2.36 -0.59 -2.71 0.16 0.00 -1.26 -4.82 120.51 108.93 1wrf n ALA 98 Ca -0.07 0.28 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1wrf n ALA 98 Cb 0.82 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 2.75 4.48 -0.92 0.00 0.04 -1.26 -4.86 135.00 135.23 1wrf s PRO 99 Ca 0.76 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 1wrf s PRO 99 Cb -1.04 -3.46 -0.26 0.00 0.04 0.00 0.00 34.50 29.78 1wrf s PRO 99 CO 0.53 -0.02 2.27 1.63 0.04 0.00 0.00 177.00 181.45 1wrf n LYS 100 N 3.96 0.21 -3.81 4.56 5.02 -1.26 -4.83 118.16 122.01 1wrf n LYS 100 Ca 0.02 -0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 55.68 1wrf n LYS 100 Cb 0.51 -1.96 -0.11 0.00 -0.02 0.00 0.00 35.03 33.45 1wrf n LYS 100 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wrf s SER 101 N 4.31 5.60 0.30 4.39 1.04 -1.22 -4.97 113.70 123.14 1wrf s SER 101 Ca 1.19 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 57.60 1wrf s SER 101 Cb -0.62 -2.00 0.72 0.00 0.10 0.00 0.00 66.02 64.22 1wrf s SER 101 CO 0.40 0.05 1.59 1.05 0.98 0.00 0.00 173.24 177.31 1wrf h GLU 102 N 7.58 0.04 -5.28 4.02 4.11 -1.88 -2.94 114.58 120.23 1wrf h GLU 102 Ca -0.37 -0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.58 1wrf h GLU 102 Cb 1.17 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 30.13 1wrf h GLU 102 CO 0.63 0.03 -0.81 1.21 0.07 0.00 0.00 179.01 180.14 1wrf s ASN 103 N -5.04 1.64 0.04 3.06 2.47 -1.26 -4.46 114.94 111.40 1wrf s ASN 103 Ca -0.13 -0.28 0.04 0.00 0.42 0.00 0.00 52.86 52.91 1wrf s ASN 103 Cb 0.28 -0.17 -0.02 0.00 -1.45 0.00 0.00 41.25 39.88 1wrf s ASN 103 CO 0.77 0.16 -0.11 -0.69 -3.72 0.00 0.00 177.10 173.51 1wrf s VAL 104 N -0.39 0.81 -0.17 -5.21 1.01 -0.33 -2.43 120.40 113.70 1wrf s VAL 104 Ca 0.05 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1wrf s VAL 104 Cb -0.06 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.56 1wrf s VAL 104 CO -0.00 -0.16 -0.15 -0.69 0.00 0.00 0.00 175.10 174.10 1wrf s VAL 105 N -1.01 1.71 -0.07 2.92 1.01 -1.01 -3.73 120.40 120.22 1wrf s VAL 105 Ca -0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1wrf s VAL 105 Cb -0.08 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1wrf s VAL 105 CO 0.01 0.42 0.14 -0.69 0.00 0.00 0.00 175.10 174.97 1wrf s VAL 106 N 1.42 5.32 -0.19 2.92 1.01 -1.26 -0.55 120.40 129.07 1wrf s VAL 106 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1wrf s VAL 106 Cb -0.14 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.90 1wrf s VAL 106 CO -0.11 0.50 -0.14 -0.89 0.00 0.00 0.00 175.10 174.46 1wrf s THR 107 N -1.13 1.81 -0.16 3.92 2.01 -0.06 -1.76 115.64 120.28 1wrf s THR 107 Ca 0.20 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 1wrf s THR 107 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1wrf s THR 107 CO 0.10 0.34 0.35 0.54 -0.69 0.00 0.00 174.62 175.25 1wrf s VAL 108 N 1.35 5.26 -0.02 3.82 0.11 -0.59 -1.85 120.40 128.48 1wrf s VAL 108 Ca 0.01 0.66 -0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1wrf s VAL 108 Cb -0.15 -3.69 0.03 0.00 -1.53 0.00 0.00 36.38 31.04 1wrf s VAL 108 CO -0.10 0.35 0.03 -0.75 -3.33 0.00 0.00 175.10 171.30 1wrf s LYS 109 N 0.67 -0.03 -0.06 1.54 2.20 0.67 0.84 119.74 125.56 1wrf s LYS 109 Ca 0.19 0.18 -0.04 0.00 -0.36 0.00 0.00 55.97 55.94 1wrf s LYS 109 Cb -0.14 -0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 35.92 1wrf s LYS 109 CO 0.06 -0.16 0.12 -0.51 -0.36 0.00 0.00 175.35 174.51 1wrf s LEU 110 N 1.00 4.18 -0.10 5.43 1.43 -1.18 0.12 118.68 129.55 1wrf s LEU 110 Ca -0.08 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1wrf s LEU 110 Cb -0.12 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.89 1wrf s LEU 110 CO -0.03 0.33 0.03 -0.63 0.23 0.00 0.00 176.35 176.28 1wrf s ILE 111 N -1.14 0.29 0.00 -0.59 1.09 0.73 0.13 121.20 121.71 1wrf s ILE 111 Ca 0.20 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.75 1wrf s ILE 111 Cb -0.12 -0.59 0.00 0.00 -1.06 0.00 0.00 42.46 40.69 1wrf s ILE 111 CO 0.10 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 1wrf n GLY 112 N 5.16 0.62 0.00 6.18 0.00 0.65 -1.08 105.19 116.72 1wrf n GLY 112 Ca -0.07 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.15 1wrf n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wrf n ASP 113 N -2.91 0.00 -0.09 1.61 8.00 -1.24 -3.13 116.55 118.78 1wrf n ASP 113 Ca 0.00 -1.14 0.03 0.00 0.71 0.00 0.00 54.79 54.39 1wrf n ASP 113 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1wrf n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wrf n ASN 114 N -0.92 0.73 0.00 -2.24 4.13 -1.26 -5.11 115.26 110.59 1wrf n ASN 114 Ca 0.20 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.59 1wrf n ASN 114 Cb 0.09 0.65 0.00 0.00 -1.54 0.00 0.00 39.78 38.98 1wrf n ASN 114 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wrf n GLY 115 N 0.88 0.16 3.56 7.41 0.00 -1.18 -5.05 105.19 110.97 1wrf n GLY 115 Ca 0.02 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.69 4.47 0.26 1.61 1.01 -1.26 -0.26 120.40 122.55 1wrf s VAL 116 Ca 0.00 0.75 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 1wrf s VAL 116 Cb 0.00 -4.44 0.27 0.00 0.00 0.00 0.00 36.38 32.21 1wrf s VAL 116 CO 0.00 -0.84 1.91 -0.07 0.00 0.00 0.00 175.10 176.10 1wrf h LEU 117 N 10.57 1.09 0.00 3.92 3.38 0.72 -3.46 115.31 131.54 1wrf h LEU 117 Ca -0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wrf h LEU 117 Cb 1.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wrf h LEU 117 CO 1.03 0.75 0.00 0.00 0.09 0.00 0.00 178.44 180.30 1wrf n ALA 118 N -2.37 0.00 0.00 1.53 0.00 -1.04 -4.21 120.51 114.41 1wrf n ALA 118 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1wrf n ALA 118 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.00 -0.98 -0.00 0.00 0.00 0.25 -3.15 121.76 115.87 1wrf s ALA 120 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1wrf s ALA 120 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1wrf s ALA 120 CO 0.00 -0.36 -0.07 0.42 0.00 0.00 0.00 175.76 175.75 1wrf s ILE 121 N -1.88 0.52 -0.27 0.00 1.01 -0.90 -1.54 121.20 118.14 1wrf s ILE 121 Ca -0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1wrf s ILE 121 Cb -0.02 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1wrf s ILE 121 CO 0.02 0.14 0.13 0.00 0.00 0.00 0.00 174.94 175.23 1wrf s ALA 122 N -0.18 3.34 0.26 9.38 0.00 -0.72 -0.83 121.76 133.01 1wrf s ALA 122 Ca 0.02 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1wrf s ALA 122 Cb -0.03 -2.30 0.33 0.00 0.00 0.00 0.00 23.12 21.13 1wrf s ALA 122 CO -0.00 -0.57 1.63 1.79 0.00 0.00 0.00 175.76 178.61 1wrf h THR 123 N 5.48 1.33 -3.13 0.00 1.35 -1.92 -3.39 112.91 112.63 1wrf h THR 123 Ca -0.36 -1.69 -0.63 0.00 -0.55 0.00 0.00 66.41 63.18 1wrf h THR 123 Cb 1.18 1.77 -0.18 0.00 -1.73 0.00 0.00 68.15 69.19 1wrf h THR 123 CO 0.57 0.51 -0.81 -1.00 -0.25 0.00 0.00 175.52 174.54 1wrf s HIS 124 N -4.03 2.21 0.00 4.73 3.76 -1.26 -4.99 115.29 115.71 1wrf s HIS 124 Ca -0.05 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1wrf s HIS 124 Cb 0.13 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.73 1wrf s HIS 124 CO 0.79 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 175.58 1wrf n GLY 125 N 0.20 2.57 3.43 -2.22 0.00 -1.24 -4.62 105.19 103.30 1wrf n GLY 125 Ca -0.12 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1wrf n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wrf s LYS 126 N -2.00 0.60 -0.09 1.61 1.02 -0.09 -1.18 119.74 119.62 1wrf s LYS 126 Ca 0.00 0.79 -0.03 0.00 0.02 0.00 0.00 55.97 56.74 1wrf s LYS 126 Cb 0.00 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1wrf s LYS 126 CO 0.00 -0.09 0.06 0.42 -0.92 0.00 0.00 175.35 174.82 1wrf s ILE 127 N 0.51 4.78 0.15 2.17 1.01 -1.11 -1.50 121.20 127.22 1wrf s ILE 127 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.61 1wrf s ILE 127 Cb -0.04 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1wrf s ILE 127 CO -0.02 0.58 -0.19 -0.13 0.00 0.00 0.00 174.94 175.17 1wrf s ARG 128 N -1.05 1.25 0.00 2.79 0.52 -0.75 -3.45 118.95 118.27 1wrf s ARG 128 Ca 0.15 -1.37 0.30 0.00 -0.52 0.00 0.00 55.73 54.29 1wrf s ARG 128 Cb -0.12 -1.36 1.46 0.00 0.52 0.00 0.00 34.95 35.46 1wrf s ARG 128 CO 0.04 0.28 1.98 -0.40 0.02 0.00 0.00 175.30 177.23