#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 2.10 0.27 -1.24 1.03 -1.26 -3.52 119.66 117.03 1wrf s GLN 2 Ca 0.00 1.51 0.07 0.00 0.04 0.00 0.00 55.36 56.99 1wrf s GLN 2 Cb 0.00 -1.85 -0.06 0.00 0.03 0.00 0.00 33.01 31.13 1wrf s GLN 2 CO 0.00 -1.82 -0.08 0.14 -2.54 0.00 0.00 175.29 170.99 1wrf s VAL 3 N -2.38 1.73 -0.14 3.63 -7.23 -1.12 -3.23 120.40 111.66 1wrf s VAL 3 Ca 0.68 -2.15 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 1wrf s VAL 3 Cb -0.23 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1wrf s VAL 3 CO 0.49 -0.34 1.44 -0.62 -0.31 0.00 0.00 175.10 175.77 1wrf s ASP 4 N -3.44 6.76 0.26 4.85 2.15 -1.23 -4.74 116.67 121.27 1wrf s ASP 4 Ca 0.29 1.84 0.02 0.00 0.43 0.00 0.00 52.55 55.13 1wrf s ASP 4 Cb 0.03 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1wrf s ASP 4 CO 0.12 -0.90 0.18 -0.69 -0.17 0.00 0.00 175.17 173.70 1wrf s VAL 5 N 3.96 0.08 -0.26 1.11 1.01 -1.26 -4.50 120.40 120.53 1wrf s VAL 5 Ca 0.63 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1wrf s VAL 5 Cb -0.26 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.68 1wrf s VAL 5 CO 0.22 0.00 -0.07 -0.75 0.00 0.00 0.00 175.10 174.51 1wrf s LYS 6 N -3.90 1.89 -0.22 2.72 2.20 0.41 -4.87 119.74 117.98 1wrf s LYS 6 Ca 0.39 -1.28 -0.29 0.00 -0.36 0.00 0.00 55.97 54.43 1wrf s LYS 6 Cb 0.05 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.58 1wrf s LYS 6 CO 0.17 -0.63 1.18 -0.51 -0.36 0.00 0.00 175.35 175.19 1wrf s ASP 7 N 1.19 6.95 -0.08 1.43 1.01 -1.26 -0.28 116.67 125.64 1wrf s ASP 7 Ca -0.05 1.45 0.18 0.00 0.71 0.00 0.00 52.55 54.84 1wrf s ASP 7 Cb -0.19 -2.54 0.67 0.00 1.01 0.00 0.00 42.92 41.87 1wrf s ASP 7 CO -0.06 -0.79 1.57 0.00 0.21 0.00 0.00 175.17 176.10 1wrf n ALA 9 N 1.20 0.00 0.00 0.00 0.00 -1.26 -4.95 120.51 115.50 1wrf n ALA 9 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1wrf n ALA 9 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 -1.99 0.00 -1.32 0.00 2.85 -1.26 -4.88 115.26 108.65 1wrf n ASN 10 Ca 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 54.58 54.30 1wrf n ASN 10 Cb 0.00 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 40.95 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 0.00 -5.55 0.00 1.20 2.85 -1.26 -4.89 115.26 107.61 1wrf n ASN 11 Ca 0.00 0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 1wrf n ASN 11 Cb 0.00 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 36.46 1wrf n ASN 11 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wrf n GLU 12 N -1.87 0.00 -1.68 1.20 -0.58 -1.26 -4.50 120.64 111.95 1wrf n GLU 12 Ca -0.17 0.05 -0.46 0.00 -0.42 0.00 0.00 57.16 56.16 1wrf n GLU 12 Cb 0.64 -0.92 -0.04 0.00 -0.57 0.00 0.00 31.44 30.56 1wrf n GLU 12 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1wrf n ILE 13 N -0.46 0.27 0.18 -3.67 5.41 -1.26 -3.59 119.36 116.25 1wrf n ILE 13 Ca 0.00 -0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.76 1wrf n ILE 13 Cb 0.00 -1.80 0.23 0.00 -0.71 0.00 0.00 39.64 37.36 1wrf n ILE 13 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1wrf h LYS 14 N 7.62 0.00 0.00 0.38 1.79 -1.37 -3.46 116.57 121.52 1wrf h LYS 14 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1wrf h LYS 14 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1wrf h LYS 14 CO 0.92 0.38 0.00 0.36 -1.08 0.00 0.00 179.45 180.03 1wrf n LYS 15 N -3.35 0.00 -3.93 3.15 0.00 -1.26 -5.04 118.16 107.73 1wrf n LYS 15 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.97 1wrf n LYS 15 Cb 0.59 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.50 1wrf n LYS 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wrf s VAL 16 N 0.00 4.49 0.11 0.58 0.11 -1.26 -3.69 120.40 120.74 1wrf s VAL 16 Ca 0.00 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1wrf s VAL 16 Cb 0.00 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1wrf s VAL 16 CO 0.00 0.40 -0.07 -0.04 -3.33 0.00 0.00 175.10 172.06 1wrf s MET 17 N 0.98 2.24 0.31 1.54 -1.94 -0.56 -2.81 119.30 119.06 1wrf s MET 17 Ca 0.04 -0.99 0.08 0.00 -1.71 0.00 0.00 55.69 53.11 1wrf s MET 17 Cb -0.14 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 1wrf s MET 17 CO 0.03 0.51 0.17 0.08 -0.01 0.00 0.00 175.02 175.80 1wrf s VAL 18 N -1.27 3.44 -1.39 -6.03 1.01 -1.23 -1.47 120.40 113.46 1wrf s VAL 18 Ca 0.23 -1.60 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 1wrf s VAL 18 Cb -0.11 -3.08 0.08 0.00 0.00 0.00 0.00 36.38 33.27 1wrf s VAL 18 CO 0.15 -0.24 2.35 -0.67 0.00 0.00 0.00 175.10 176.69 1wrf n ASP 19 N -1.18 6.84 0.00 3.32 -0.08 -1.02 -4.21 116.55 120.22 1wrf n ASP 19 Ca -0.04 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 1wrf n ASP 19 Cb 0.60 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1wrf n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wrf n GLY 20 N 2.72 -1.36 3.19 0.27 0.00 -1.26 -4.98 105.19 103.78 1wrf n GLY 20 Ca 0.58 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.74 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 -2.00 -1.43 0.00 0.00 -3.43 -1.26 -4.23 115.29 102.93 1wrf s HIS 22 Ca 0.51 1.35 0.00 0.00 -0.80 0.00 0.00 55.06 56.12 1wrf s HIS 22 Cb -0.33 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 1wrf s HIS 22 CO 0.72 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 173.07 1wrf n GLY 23 N 5.42 0.18 1.10 -1.38 0.00 -1.20 -4.35 105.19 104.97 1wrf n GLY 23 Ca -0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1wrf n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wrf n SER 24 N 0.00 2.87 -4.84 1.61 2.88 -1.26 -3.56 113.62 111.32 1wrf n SER 24 Ca 0.00 -2.39 -0.32 0.00 -1.33 0.00 0.00 58.87 54.83 1wrf n SER 24 Cb 0.00 -0.58 0.01 0.00 -0.75 0.00 0.00 64.21 62.89 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 -0.21 6.05 0.63 -3.46 1.01 -1.26 -5.04 116.67 114.39 1wrf s ASP 25 Ca 0.20 1.59 -0.12 0.00 0.71 0.00 0.00 52.55 54.94 1wrf s ASP 25 Cb 0.16 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 1wrf s ASP 25 CO 0.06 -0.99 1.04 -2.16 0.21 0.00 0.00 175.17 173.32 1wrf s PRO 26 N -4.60 3.39 0.01 8.23 0.04 -1.26 -4.80 135.00 136.01 1wrf s PRO 26 Ca 0.59 0.89 0.04 0.00 0.04 0.00 0.00 61.00 62.55 1wrf s PRO 26 Cb -0.12 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1wrf s PRO 26 CO 0.44 -0.73 -0.13 0.00 0.04 0.00 0.00 177.00 176.62 1wrf s ILE 28 N -0.48 3.23 -0.38 0.00 -1.09 -1.26 -0.75 121.20 120.48 1wrf s ILE 28 Ca 0.04 -1.05 -0.15 0.00 -2.23 0.00 0.00 60.65 57.26 1wrf s ILE 28 Cb -0.06 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1wrf s ILE 28 CO 0.00 0.06 0.31 -0.63 -1.23 0.00 0.00 174.94 173.45 1wrf s ILE 29 N 1.35 5.23 -0.55 2.92 1.01 -0.64 -4.88 121.20 125.65 1wrf s ILE 29 Ca -0.01 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.02 1wrf s ILE 29 Cb -0.18 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.48 1wrf s ILE 29 CO -0.01 -0.20 0.87 -1.00 0.00 0.00 0.00 174.94 174.59 1wrf s HIS 30 N 1.80 2.84 -0.22 3.97 3.76 -1.26 -1.68 115.29 124.50 1wrf s HIS 30 Ca 0.07 -0.19 -0.41 0.00 -0.15 0.00 0.00 55.06 54.38 1wrf s HIS 30 Cb -0.18 -3.97 -0.17 0.00 1.11 0.00 0.00 32.58 29.37 1wrf s HIS 30 CO 0.11 -1.30 1.56 2.89 -0.85 0.00 0.00 174.74 177.14 1wrf n ARG 31 N 7.18 0.79 0.00 1.40 1.85 -1.13 -1.12 116.66 125.63 1wrf n ARG 31 Ca -0.01 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 1wrf n ARG 31 Cb 0.47 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 1wrf n ARG 31 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wrf n GLY 32 N 3.50 1.48 3.82 2.89 0.00 -1.26 -4.77 105.19 110.85 1wrf n GLY 32 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.16 3.05 -0.18 1.61 2.20 -0.27 -4.89 119.74 121.09 1wrf s LYS 33 Ca 0.00 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.70 1wrf s LYS 33 Cb 0.00 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.50 1wrf s LYS 33 CO 0.00 0.58 1.06 -1.25 -0.36 0.00 0.00 175.35 175.38 1wrf s PRO 34 N -2.42 4.31 -0.26 4.03 0.04 -1.26 -3.92 135.00 135.51 1wrf s PRO 34 Ca 0.31 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1wrf s PRO 34 Cb -0.12 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1wrf s PRO 34 CO 0.24 -0.54 0.31 0.12 0.04 0.00 0.00 177.00 177.16 1wrf s PHE 35 N 2.87 3.26 -0.22 0.56 5.36 -1.01 -4.83 117.98 123.97 1wrf s PHE 35 Ca 0.46 0.33 -0.10 0.00 -0.96 0.00 0.00 56.93 56.67 1wrf s PHE 35 Cb -0.17 -2.49 -0.05 0.00 -0.34 0.00 0.00 43.02 39.97 1wrf s PHE 35 CO 0.11 -0.17 0.13 0.99 -1.46 0.00 0.00 175.22 174.82 1wrf s THR 36 N 1.84 5.22 -0.04 0.12 2.01 -1.26 -0.66 115.64 122.86 1wrf s THR 36 Ca 0.13 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1wrf s THR 36 Cb -0.16 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.98 1wrf s THR 36 CO 0.10 0.40 0.02 -1.48 -0.69 0.00 0.00 174.62 172.97 1wrf s LEU 37 N 0.73 0.67 -0.13 4.42 -0.00 -1.00 -2.44 118.68 120.92 1wrf s LEU 37 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 54.13 54.15 1wrf s LEU 37 Cb -0.13 -0.23 -0.04 0.00 -0.00 0.00 0.00 46.19 45.80 1wrf s LEU 37 CO 0.02 -0.18 0.05 -0.70 -0.00 0.00 0.00 176.35 175.54 1wrf s GLU 38 N 1.65 3.48 -0.08 1.48 2.12 -0.54 -2.98 118.70 123.82 1wrf s GLU 38 Ca -0.01 -0.33 -0.00 0.00 0.36 0.00 0.00 54.97 54.99 1wrf s GLU 38 Cb -0.13 -3.04 0.02 0.00 0.26 0.00 0.00 34.13 31.25 1wrf s GLU 38 CO -0.03 0.54 -0.04 0.00 -0.54 0.00 0.00 175.26 175.19 1wrf s ALA 39 N -0.41 0.91 0.04 6.30 0.00 -1.06 -1.50 121.76 126.05 1wrf s ALA 39 Ca 0.09 -0.25 -0.21 0.00 0.00 0.00 0.00 51.96 51.60 1wrf s ALA 39 Cb -0.12 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.24 1wrf s ALA 39 CO 0.02 -0.29 0.61 -0.51 0.00 0.00 0.00 175.76 175.59 1wrf s LEU 40 N 1.53 4.47 -0.17 0.00 1.43 -1.24 -3.11 118.68 121.59 1wrf s LEU 40 Ca -0.01 1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 54.23 1wrf s LEU 40 Cb -0.13 -2.96 0.05 0.00 0.03 0.00 0.00 46.19 43.18 1wrf s LEU 40 CO -0.04 0.17 0.43 0.72 0.23 0.00 0.00 176.35 177.86 1wrf s PHE 41 N -0.60 -0.56 -0.52 0.29 -0.12 -0.82 -1.18 117.98 114.47 1wrf s PHE 41 Ca 0.31 1.26 -0.27 0.00 -0.05 0.00 0.00 56.93 58.18 1wrf s PHE 41 Cb -0.19 0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1wrf s PHE 41 CO 0.19 -0.30 1.06 -0.51 -0.05 0.00 0.00 175.22 175.61 1wrf s ASP 42 N 0.85 6.47 -0.39 1.98 1.11 -1.24 -1.51 116.67 123.95 1wrf s ASP 42 Ca -0.05 0.08 -0.41 0.00 0.18 0.00 0.00 52.55 52.35 1wrf s ASP 42 Cb -0.06 -2.50 -0.16 0.00 1.07 0.00 0.00 42.92 41.27 1wrf s ASP 42 CO -0.07 -1.27 1.97 0.00 1.18 0.00 0.00 175.17 176.98 1wrf n ALA 43 N 7.78 0.15 1.44 5.23 0.00 0.28 -4.74 120.51 130.65 1wrf n ALA 43 Ca 0.07 0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.75 1wrf n ALA 43 Cb 0.49 -2.24 0.07 0.00 0.00 0.00 0.00 19.45 17.76 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 7.10 0.92 -3.60 0.00 0.23 -1.26 -1.47 115.26 117.18 1wrf n ASN 44 Ca 0.39 -2.01 -0.11 0.00 -0.53 0.00 0.00 54.58 52.32 1wrf n ASN 44 Cb 0.09 -0.13 -0.06 0.00 -2.08 0.00 0.00 39.78 37.59 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 -1.76 0.64 -0.47 -3.83 -2.07 -1.26 -4.89 119.66 106.02 1wrf s GLN 45 Ca 0.11 0.42 -0.26 0.00 -1.82 0.00 0.00 55.36 53.81 1wrf s GLN 45 Cb 0.06 0.31 0.03 0.00 -1.09 0.00 0.00 33.01 32.31 1wrf s GLN 45 CO 0.07 -0.15 0.97 0.54 -1.32 0.00 0.00 175.29 175.41 1wrf s ASN 46 N -0.44 6.53 0.11 12.60 2.20 -1.25 -3.48 114.94 131.20 1wrf s ASN 46 Ca -0.01 0.20 0.07 0.00 -0.94 0.00 0.00 52.86 52.18 1wrf s ASN 46 Cb -0.03 -2.47 -0.03 0.00 -2.00 0.00 0.00 41.25 36.72 1wrf s ASN 46 CO -0.01 -1.10 -0.18 0.28 -2.94 0.00 0.00 177.10 173.15 1wrf s THR 47 N 3.92 1.56 -0.29 0.54 -1.32 -0.43 -4.86 115.64 114.76 1wrf s THR 47 Ca 0.40 -1.56 0.22 0.00 -1.21 0.00 0.00 61.69 59.53 1wrf s THR 47 Cb -0.09 -1.49 0.10 0.00 -1.51 0.00 0.00 72.50 69.51 1wrf s THR 47 CO 0.28 -0.16 1.23 0.11 -2.21 0.00 0.00 174.62 173.86 1wrf h LYS 48 N 3.96 0.00 -4.77 7.08 1.79 -1.92 -1.38 116.57 121.32 1wrf h LYS 48 Ca -0.44 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 57.62 1wrf h LYS 48 Cb 1.19 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.54 1wrf h LYS 48 CO 0.42 0.04 -0.79 0.95 -1.08 0.00 0.00 179.45 179.00 1wrf s THR 49 N -3.27 0.79 0.02 -0.16 -4.23 -1.26 -4.51 115.64 103.02 1wrf s THR 49 Ca 0.02 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1wrf s THR 49 Cb 0.08 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.23 1wrf s THR 49 CO 0.75 0.23 -0.03 0.00 -0.54 0.00 0.00 174.62 175.03 1wrf s ALA 50 N -0.12 0.17 -0.01 3.99 0.00 -1.26 -3.68 121.76 120.85 1wrf s ALA 50 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1wrf s ALA 50 Cb -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 1wrf s ALA 50 CO -0.00 -0.11 0.03 0.21 0.00 0.00 0.00 175.76 175.89 1wrf s LYS 51 N -1.21 0.12 0.20 0.00 2.20 -0.81 -0.37 119.74 119.87 1wrf s LYS 51 Ca -0.12 -0.09 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 1wrf s LYS 51 Cb -0.08 0.05 -0.07 0.00 -1.51 0.00 0.00 37.83 36.22 1wrf s LYS 51 CO -0.01 -0.02 0.51 -1.50 -0.36 0.00 0.00 175.35 173.97 1wrf s ILE 52 N -0.32 4.98 -0.13 5.43 2.07 -1.26 -1.13 121.20 130.84 1wrf s ILE 52 Ca -0.04 0.41 -0.04 0.00 -1.41 0.00 0.00 60.65 59.57 1wrf s ILE 52 Cb -0.02 -3.63 0.07 0.00 0.13 0.00 0.00 42.46 39.01 1wrf s ILE 52 CO -0.00 -0.01 0.21 -0.70 -1.91 0.00 0.00 174.94 172.53 1wrf s GLU 53 N -2.69 0.11 -0.11 3.50 2.56 0.14 -4.16 118.70 118.05 1wrf s GLU 53 Ca 0.45 0.52 -0.02 0.00 0.00 0.00 0.00 54.97 55.93 1wrf s GLU 53 Cb -0.12 -0.46 -0.03 0.00 2.00 0.00 0.00 34.13 35.53 1wrf s GLU 53 CO 0.22 -0.40 -0.05 0.42 -0.56 0.00 0.00 175.26 174.89 1wrf s ILE 54 N 2.34 3.81 -0.07 -3.70 1.09 -1.26 -0.49 121.20 122.93 1wrf s ILE 54 Ca 0.03 -0.41 0.03 0.00 -1.10 0.00 0.00 60.65 59.21 1wrf s ILE 54 Cb -0.13 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.66 1wrf s ILE 54 CO -0.08 0.55 -0.17 -0.54 -0.10 0.00 0.00 174.94 174.59 1wrf s LYS 55 N -0.23 2.14 0.05 2.79 1.02 -0.69 -2.38 119.74 122.44 1wrf s LYS 55 Ca 0.04 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.45 1wrf s LYS 55 Cb -0.13 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1wrf s LYS 55 CO 0.02 0.14 -0.04 0.00 -0.92 0.00 0.00 175.35 174.55 1wrf s ALA 56 N 0.37 3.12 0.10 5.17 0.00 -0.98 -0.02 121.76 129.52 1wrf s ALA 56 Ca -0.12 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.80 1wrf s ALA 56 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1wrf s ALA 56 CO 0.05 0.65 0.05 -1.54 0.00 0.00 0.00 175.76 174.96 1wrf s SER 57 N -1.83 5.27 -0.58 0.00 1.04 -0.32 -1.28 113.70 115.99 1wrf s SER 57 Ca 0.21 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.57 1wrf s SER 57 Cb -0.11 -1.33 0.33 0.00 0.10 0.00 0.00 66.02 65.01 1wrf s SER 57 CO 0.12 0.16 0.92 0.18 0.98 0.00 0.00 173.24 175.59 1wrf n LEU 58 N 0.37 4.28 -2.02 2.42 4.77 0.99 -3.06 117.00 124.75 1wrf n LEU 58 Ca -0.10 -5.63 -0.02 0.00 -0.03 0.00 0.00 56.01 50.23 1wrf n LEU 58 Cb 0.52 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1wrf n LEU 58 CO 0.42 2.32 -0.02 -0.67 -1.33 0.00 0.00 177.39 178.10 1wrf n ASP 59 N -0.09 -1.11 0.00 -1.43 -0.08 -1.14 -2.27 116.55 110.44 1wrf n ASP 59 Ca 0.31 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.91 1wrf n ASP 59 Cb 0.40 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 42.68 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 -0.38 1.45 3.51 0.27 0.00 -1.26 -5.05 105.19 103.73 1wrf n GLY 60 Ca -0.02 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 4.68 -0.22 0.99 2.96 -0.96 -5.05 118.68 121.08 1wrf s LEU 61 Ca 0.00 -0.49 -0.17 0.00 -0.22 0.00 0.00 54.13 53.25 1wrf s LEU 61 Cb 0.00 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1wrf s LEU 61 CO 0.00 -0.41 0.46 -1.61 -1.32 0.00 0.00 176.35 173.48 1wrf s GLU 62 N 1.95 4.14 0.40 1.98 8.01 -1.26 -0.01 118.70 133.92 1wrf s GLU 62 Ca 0.10 0.29 0.07 0.00 0.01 0.00 0.00 54.97 55.44 1wrf s GLU 62 Cb -0.17 -3.58 -0.07 0.00 -4.31 0.00 0.00 34.13 26.00 1wrf s GLU 62 CO 0.12 -0.17 0.05 0.42 0.01 0.00 0.00 175.26 175.69 1wrf s ILE 63 N 1.71 2.13 -0.12 -1.63 1.01 -0.41 -4.96 121.20 118.94 1wrf s ILE 63 Ca 0.21 -1.93 -0.02 0.00 0.00 0.00 0.00 60.65 58.90 1wrf s ILE 63 Cb -0.15 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1wrf s ILE 63 CO 0.09 -0.02 -0.03 -1.81 0.00 0.00 0.00 174.94 173.17 1wrf s ASP 64 N -3.76 4.92 -0.41 3.58 1.01 -1.26 -2.32 116.67 118.44 1wrf s ASP 64 Ca 0.36 -0.03 -0.11 0.00 0.71 0.00 0.00 52.55 53.48 1wrf s ASP 64 Cb 0.07 -1.59 0.05 0.00 1.01 0.00 0.00 42.92 42.46 1wrf s ASP 64 CO 0.19 0.26 0.26 -0.69 0.21 0.00 0.00 175.17 175.40 1wrf s VAL 65 N -0.20 4.63 0.00 -1.27 1.01 -1.00 -4.88 120.40 118.69 1wrf s VAL 65 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1wrf s VAL 65 Cb -0.13 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1wrf s VAL 65 CO 0.02 -0.38 0.00 -0.81 0.00 0.00 0.00 175.10 173.94 1wrf n PRO 66 N 5.02 2.24 -2.66 2.72 -0.04 -1.26 -4.36 135.00 136.66 1wrf n PRO 66 Ca -0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.20 1wrf n PRO 66 Cb 0.45 0.00 0.02 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 -0.13 3.94 0.55 0.00 -1.26 -4.68 105.19 108.61 1wrf n GLY 67 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1wrf n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wrf s ILE 68 N -2.90 1.61 -2.16 -0.61 1.01 -1.26 -3.27 121.20 113.62 1wrf s ILE 68 Ca 0.16 -1.40 0.29 0.00 0.00 0.00 0.00 60.65 59.70 1wrf s ILE 68 Cb -0.07 -2.02 0.63 0.00 0.01 0.00 0.00 42.46 41.01 1wrf s ILE 68 CO 0.20 0.00 1.90 -0.67 0.00 0.00 0.00 174.94 176.37 1wrf n ASP 69 N -1.91 0.84 -2.50 3.58 2.03 -1.26 -4.87 116.55 112.46 1wrf n ASP 69 Ca 0.01 -1.15 -0.14 0.00 0.52 0.00 0.00 54.79 54.03 1wrf n ASP 69 Cb 0.64 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 41.01 1wrf n ASP 69 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1wrf n THR 70 N -0.43 0.00 0.00 5.18 -2.24 -1.26 -4.57 114.28 110.97 1wrf n THR 70 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1wrf n THR 70 Cb 0.27 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.83 0.00 0.00 3.42 2.85 -1.25 -4.65 115.26 114.80 1wrf n ASN 71 Ca 0.04 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.61 1wrf n ASN 71 Cb 0.24 0.00 0.58 0.00 1.24 0.00 0.00 39.78 41.84 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 2.38 0.36 5.20 0.00 0.50 -3.29 120.51 125.66 1wrf n ALA 72 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.37 1wrf n ALA 72 Cb 0.00 -1.32 0.22 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.91 -3.34 115.15 113.77 1wrf h HIS 74 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wrf h HIS 74 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1wrf h HIS 74 CO 0.00 0.00 -0.36 1.19 0.86 0.00 0.00 177.93 179.62 1wrf n PHE 75 N -2.50 0.00 -4.54 2.45 3.01 -0.48 -5.03 117.46 110.38 1wrf n PHE 75 Ca 0.03 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.23 1wrf n PHE 75 Cb 0.49 -0.02 -0.11 0.00 -0.01 0.00 0.00 39.48 39.84 1wrf n PHE 75 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1wrf s VAL 76 N -1.50 2.10 -0.67 -4.37 -7.23 0.20 -4.60 120.40 104.34 1wrf s VAL 76 Ca 0.01 -2.16 -0.21 0.00 -1.81 0.00 0.00 61.98 57.80 1wrf s VAL 76 Cb 0.02 -2.67 0.09 0.00 0.56 0.00 0.00 36.38 34.38 1wrf s VAL 76 CO 0.14 -0.18 0.91 -1.59 -0.31 0.00 0.00 175.10 174.07 1wrf s LYS 77 N -3.65 3.15 0.26 4.82 0.00 -1.26 -4.60 119.74 118.46 1wrf s LYS 77 Ca 0.32 -1.07 -0.07 0.00 0.00 0.00 0.00 55.97 55.15 1wrf s LYS 77 Cb 0.04 -4.31 -0.06 0.00 0.00 0.00 0.00 37.83 33.49 1wrf s LYS 77 CO 0.16 -1.74 0.55 0.00 0.00 0.00 0.00 175.35 174.32 1wrf s PRO 79 N -3.17 4.47 -0.40 0.00 0.04 -1.26 -5.09 135.00 129.59 1wrf s PRO 79 Ca 0.46 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 1wrf s PRO 79 Cb -0.11 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.31 1wrf s PRO 79 CO 0.26 -0.04 1.23 -0.51 0.04 0.00 0.00 177.00 177.98 1wrf s LEU 80 N -1.44 3.72 0.28 -3.56 1.43 -0.52 -4.85 118.68 113.75 1wrf s LEU 80 Ca 0.48 0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 54.17 1wrf s LEU 80 Cb -0.36 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 1wrf s LEU 80 CO 0.46 -1.20 0.83 -0.69 0.23 0.00 0.00 176.35 175.98 1wrf s VAL 81 N 4.56 4.41 -0.14 -1.59 1.01 -1.26 -1.31 120.40 126.07 1wrf s VAL 81 Ca 0.53 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.73 1wrf s VAL 81 Cb -0.12 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wrf s VAL 81 CO 0.28 0.14 1.63 -0.75 0.00 0.00 0.00 175.10 176.39 1wrf s LYS 82 N -2.11 3.98 0.00 2.72 2.20 -1.23 -2.23 119.74 123.07 1wrf s LYS 82 Ca 0.48 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 1wrf s LYS 82 Cb -0.17 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1wrf s LYS 82 CO 0.22 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1wrf n GLY 83 N 4.38 1.54 3.76 5.54 0.00 -0.54 -4.85 105.19 115.02 1wrf n GLY 83 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.03 2.72 0.00 1.61 2.00 -0.95 -4.92 119.66 120.10 1wrf s GLN 84 Ca 0.00 -1.05 0.03 0.00 -2.00 0.00 0.00 55.36 52.34 1wrf s GLN 84 Cb 0.00 -2.50 -0.03 0.00 0.80 0.00 0.00 33.01 31.28 1wrf s GLN 84 CO 0.00 0.44 -0.05 -1.14 -0.50 0.00 0.00 175.29 174.04 1wrf s GLN 85 N -3.36 2.63 0.05 1.67 0.74 -1.26 -0.56 119.66 119.57 1wrf s GLN 85 Ca 0.31 -0.68 0.07 0.00 0.05 0.00 0.00 55.36 55.10 1wrf s GLN 85 Cb -0.09 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.44 1wrf s GLN 85 CO 0.22 0.61 -0.19 0.71 -0.55 0.00 0.00 175.29 176.09 1wrf s TYR 86 N -1.02 1.70 -0.29 1.67 1.51 -0.57 -4.91 117.35 115.44 1wrf s TYR 86 Ca 0.18 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1wrf s TYR 86 Cb -0.11 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 1wrf s TYR 86 CO 0.08 0.10 0.03 0.16 -1.11 0.00 0.00 175.55 174.81 1wrf s ASP 87 N -1.30 4.87 -0.26 2.29 -4.77 -1.26 -1.95 116.67 114.29 1wrf s ASP 87 Ca 0.06 -0.89 -0.05 0.00 -3.30 0.00 0.00 52.55 48.36 1wrf s ASP 87 Cb -0.09 -1.79 -0.00 0.00 -1.09 0.00 0.00 42.92 39.95 1wrf s ASP 87 CO 0.02 -0.20 0.02 -0.51 0.70 0.00 0.00 175.17 175.21 1wrf s ILE 88 N 1.40 3.71 -0.35 2.11 2.07 -1.18 -4.60 121.20 124.37 1wrf s ILE 88 Ca 0.00 -0.58 -0.18 0.00 -1.41 0.00 0.00 60.65 58.49 1wrf s ILE 88 Cb -0.18 -2.81 -0.00 0.00 0.13 0.00 0.00 42.46 39.59 1wrf s ILE 88 CO -0.00 0.24 0.48 -0.75 -1.91 0.00 0.00 174.94 173.01 1wrf s LYS 89 N 1.49 3.60 -0.02 3.50 2.20 -1.26 -2.57 119.74 126.69 1wrf s LYS 89 Ca 0.04 -0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.49 1wrf s LYS 89 Cb -0.16 -3.81 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 1wrf s LYS 89 CO 0.00 -0.62 -0.18 -0.47 -0.36 0.00 0.00 175.35 173.72 1wrf s TYR 90 N 2.32 1.63 -0.11 4.03 5.04 -1.16 -4.92 117.35 124.18 1wrf s TYR 90 Ca 0.17 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.32 1wrf s TYR 90 Cb -0.16 -1.05 -0.05 0.00 0.35 0.00 0.00 41.96 41.06 1wrf s TYR 90 CO 0.13 -0.04 0.42 0.95 -1.34 0.00 0.00 175.55 175.67 1wrf s THR 91 N -0.39 5.19 -0.52 4.34 -4.23 -1.26 -2.39 115.64 116.38 1wrf s THR 91 Ca 0.06 0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 1wrf s THR 91 Cb -0.07 -3.76 0.13 0.00 1.34 0.00 0.00 72.50 70.14 1wrf s THR 91 CO -0.00 0.38 0.35 0.86 -0.54 0.00 0.00 174.62 175.67 1wrf s TRP 92 N 0.31 3.50 -0.47 3.99 -0.00 0.16 -4.80 118.94 121.62 1wrf s TRP 92 Ca 0.23 -2.28 -0.27 0.00 -0.00 0.00 0.00 56.10 53.78 1wrf s TRP 92 Cb -0.15 -3.35 -0.02 0.00 -0.00 0.00 0.00 33.47 29.94 1wrf s TRP 92 CO 0.09 -0.95 1.87 1.21 -0.00 0.00 0.00 176.95 179.18 1wrf s ASN 93 N 1.84 5.49 0.47 5.86 2.47 -1.20 -2.40 114.94 127.47 1wrf s ASN 93 Ca 0.10 0.83 -0.24 0.00 0.42 0.00 0.00 52.86 53.97 1wrf s ASN 93 Cb -0.22 -2.53 -0.07 0.00 -1.45 0.00 0.00 41.25 36.98 1wrf s ASN 93 CO -0.03 -2.11 1.39 -0.69 -3.72 0.00 0.00 177.10 171.94 1wrf s VAL 94 N 8.31 2.17 -1.37 -5.21 1.01 -1.25 -4.53 120.40 119.53 1wrf s VAL 94 Ca 0.75 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1wrf s VAL 94 Cb -0.17 -3.08 0.11 0.00 0.00 0.00 0.00 36.38 33.24 1wrf s VAL 94 CO 0.27 0.01 1.09 -0.81 0.00 0.00 0.00 175.10 175.67 1wrf n PRO 95 N -0.38 0.08 -0.41 2.72 -0.04 -1.26 -4.43 135.00 131.28 1wrf n PRO 95 Ca 0.06 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1wrf n PRO 95 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1wrf n PRO 95 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wrf n LYS 96 N -1.32 0.00 -0.02 0.54 5.02 -1.26 -4.68 118.16 116.44 1wrf n LYS 96 Ca 0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1wrf n LYS 96 Cb 0.06 -3.41 -0.12 0.00 -0.02 0.00 0.00 35.03 31.53 1wrf n LYS 96 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1wrf n ILE 97 N -2.00 1.11 -0.89 -0.18 -5.35 -1.26 -4.81 119.36 105.98 1wrf n ILE 97 Ca 0.00 -0.72 -0.35 0.00 -0.27 0.00 0.00 62.75 61.41 1wrf n ILE 97 Cb 0.00 -0.58 -0.05 0.00 -1.74 0.00 0.00 39.64 37.27 1wrf n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wrf n ALA 98 N -2.49 -0.59 -2.60 -1.28 0.00 -1.26 -4.82 120.51 107.47 1wrf n ALA 98 Ca -0.16 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1wrf n ALA 98 Cb 0.91 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 1.83 4.53 -0.90 0.00 0.04 -1.26 -4.81 135.00 134.42 1wrf s PRO 99 Ca 0.57 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 1wrf s PRO 99 Cb -0.79 -3.43 -0.25 0.00 0.04 0.00 0.00 34.50 30.07 1wrf s PRO 99 CO 0.42 0.08 2.30 1.17 0.04 0.00 0.00 177.00 181.01 1wrf n LYS 100 N 3.51 0.25 -3.28 4.56 4.81 -1.26 -4.82 118.16 121.93 1wrf n LYS 100 Ca 0.02 -0.32 -0.41 0.00 -0.87 0.00 0.00 58.31 56.73 1wrf n LYS 100 Cb 0.51 -2.15 -0.08 0.00 0.02 0.00 0.00 35.03 33.33 1wrf n LYS 100 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wrf s SER 101 N 5.16 6.31 0.23 3.14 0.15 -1.25 -4.93 113.70 122.51 1wrf s SER 101 Ca 1.16 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 57.92 1wrf s SER 101 Cb -0.58 -2.25 0.51 0.00 -1.71 0.00 0.00 66.02 61.99 1wrf s SER 101 CO 0.37 -0.37 1.18 -1.84 1.20 0.00 0.00 173.24 173.77 1wrf n GLU 102 N 5.59 -0.06 -4.64 5.44 0.28 -1.26 -2.72 120.64 123.27 1wrf n GLU 102 Ca -0.06 1.14 -0.22 0.00 -0.16 0.00 0.00 57.16 57.86 1wrf n GLU 102 Cb 0.49 -1.78 -0.15 0.00 1.43 0.00 0.00 31.44 31.44 1wrf n GLU 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1wrf s ASN 103 N -5.06 1.68 0.02 -1.84 2.47 -1.26 -4.45 114.94 106.50 1wrf s ASN 103 Ca -0.10 -0.27 0.04 0.00 0.42 0.00 0.00 52.86 52.94 1wrf s ASN 103 Cb 0.22 -0.18 -0.02 0.00 -1.45 0.00 0.00 41.25 39.82 1wrf s ASN 103 CO 0.59 0.17 -0.12 -0.69 -3.72 0.00 0.00 177.10 173.33 1wrf s VAL 104 N -0.38 0.90 -0.17 -5.21 1.01 -0.42 -2.87 120.40 113.26 1wrf s VAL 104 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1wrf s VAL 104 Cb -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1wrf s VAL 104 CO -0.00 0.06 -0.12 -0.69 0.00 0.00 0.00 175.10 174.35 1wrf s VAL 105 N -0.63 1.59 0.02 2.92 1.01 -1.17 -3.69 120.40 120.44 1wrf s VAL 105 Ca 0.01 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1wrf s VAL 105 Cb -0.06 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 1wrf s VAL 105 CO 0.00 0.30 0.38 -0.69 0.00 0.00 0.00 175.10 175.10 1wrf s VAL 106 N 1.45 5.09 -0.05 2.92 1.01 -1.26 -1.18 120.40 128.38 1wrf s VAL 106 Ca 0.02 0.66 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1wrf s VAL 106 Cb -0.15 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1wrf s VAL 106 CO -0.09 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.42 1wrf s THR 107 N -1.18 2.71 -0.12 3.92 2.01 0.98 -1.65 115.64 122.30 1wrf s THR 107 Ca 0.26 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1wrf s THR 107 Cb -0.15 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.32 1wrf s THR 107 CO 0.14 0.58 -0.22 0.54 -0.69 0.00 0.00 174.62 174.97 1wrf s VAL 108 N -0.51 2.12 -0.02 3.82 0.11 -0.60 -1.70 120.40 123.62 1wrf s VAL 108 Ca 0.07 -0.98 -0.00 0.00 -2.93 0.00 0.00 61.98 58.14 1wrf s VAL 108 Cb -0.11 -1.83 0.03 0.00 -1.53 0.00 0.00 36.38 32.93 1wrf s VAL 108 CO 0.01 0.55 0.04 -0.75 -3.33 0.00 0.00 175.10 171.62 1wrf s LYS 109 N 0.58 -0.04 -0.11 1.54 2.20 0.36 0.18 119.74 124.44 1wrf s LYS 109 Ca -0.13 0.21 -0.05 0.00 -0.36 0.00 0.00 55.97 55.65 1wrf s LYS 109 Cb -0.17 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 1wrf s LYS 109 CO 0.03 -0.18 0.08 -0.51 -0.36 0.00 0.00 175.35 174.41 1wrf s LEU 110 N 1.18 4.00 -0.13 5.43 1.43 -0.61 0.27 118.68 130.24 1wrf s LEU 110 Ca -0.08 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1wrf s LEU 110 Cb -0.13 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.17 1wrf s LEU 110 CO -0.03 0.37 -0.01 -0.63 0.23 0.00 0.00 176.35 176.28 1wrf s ILE 111 N -0.79 0.64 0.00 -0.59 1.09 -0.29 0.23 121.20 121.49 1wrf s ILE 111 Ca 0.13 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 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 0.03 0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.57 1wrf n GLY 112 N 5.04 0.94 0.35 6.18 0.00 -0.27 -1.93 105.19 115.49 1wrf n GLY 112 Ca -0.09 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.60 -0.12 1.61 8.00 -1.24 -4.48 116.55 121.92 1wrf n ASP 113 Ca 0.00 -1.30 0.02 0.00 0.71 0.00 0.00 54.79 54.22 1wrf n ASP 113 Cb 0.00 0.24 0.01 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.20 1.24 0.00 -2.24 5.03 -1.26 -5.10 115.26 113.13 1wrf n ASN 114 Ca 0.06 -1.12 0.00 0.00 0.87 0.00 0.00 54.58 54.38 1wrf n ASN 114 Cb 0.25 0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1wrf n ASN 114 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wrf n GLY 115 N 0.18 0.11 3.56 7.41 0.00 -1.26 -5.05 105.19 110.14 1wrf n GLY 115 Ca 0.02 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.27 4.56 0.28 1.61 1.01 -1.26 -1.12 120.40 122.21 1wrf s VAL 116 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 1wrf s VAL 116 Cb 0.00 -4.37 0.27 0.00 0.00 0.00 0.00 36.38 32.28 1wrf s VAL 116 CO 0.00 -0.75 1.91 -0.07 0.00 0.00 0.00 175.10 176.19 1wrf h LEU 117 N 10.32 1.01 -8.40 3.92 3.38 0.25 -3.46 115.31 122.34 1wrf h LEU 117 Ca -0.24 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 1wrf h LEU 117 Cb 1.08 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1wrf h LEU 117 CO 0.99 0.67 -0.11 0.00 0.09 0.00 0.00 178.44 180.08 1wrf s ALA 118 N -6.00 0.38 -0.20 1.53 0.00 -0.92 -4.40 121.76 112.16 1wrf s ALA 118 Ca -0.12 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 1wrf s ALA 118 Cb 0.19 1.07 0.14 0.00 0.00 0.00 0.00 23.12 24.52 1wrf s ALA 118 CO 0.81 -0.83 1.06 0.00 0.00 0.00 0.00 175.76 176.79 1wrf s ALA 120 N -0.85 -0.99 -0.06 0.00 0.00 0.13 -3.25 121.76 116.73 1wrf s ALA 120 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1wrf s ALA 120 Cb -0.01 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1wrf s ALA 120 CO -0.01 -0.28 0.02 0.42 0.00 0.00 0.00 175.76 175.91 1wrf s ILE 121 N -1.25 0.25 0.29 0.00 1.01 0.62 -1.55 121.20 120.56 1wrf s ILE 121 Ca -0.13 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 1wrf s ILE 121 Cb -0.04 -0.44 -0.08 0.00 0.01 0.00 0.00 42.46 41.91 1wrf s ILE 121 CO 0.05 0.23 0.65 0.00 0.00 0.00 0.00 174.94 175.88 1wrf s ALA 122 N 2.02 3.45 -1.09 9.38 0.00 -0.66 -0.44 121.76 134.41 1wrf s ALA 122 Ca 0.05 -0.16 0.10 0.00 0.00 0.00 0.00 51.96 51.95 1wrf s ALA 122 Cb -0.12 -2.59 0.16 0.00 0.00 0.00 0.00 23.12 20.56 1wrf s ALA 122 CO -0.05 0.36 0.98 -2.37 0.00 0.00 0.00 175.76 174.68 1wrf n THR 123 N -0.42 0.39 -4.38 0.00 5.66 -1.26 -4.38 114.28 109.89 1wrf n THR 123 Ca 0.02 -0.70 -0.20 0.00 -3.05 0.00 0.00 64.05 60.12 1wrf n THR 123 Cb 0.53 0.93 -0.09 0.00 -1.55 0.00 0.00 70.33 70.15 1wrf n THR 123 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1wrf s HIS 124 N -0.90 1.67 0.00 1.09 -3.43 -1.26 -5.00 115.29 107.46 1wrf s HIS 124 Ca 0.15 -1.27 0.00 0.00 -0.80 0.00 0.00 55.06 53.14 1wrf s HIS 124 Cb 0.09 -0.98 0.00 0.00 -1.43 0.00 0.00 32.58 30.27 1wrf s HIS 124 CO 0.13 -0.38 0.00 0.41 -2.00 0.00 0.00 174.74 172.90 1wrf n GLY 125 N -0.64 3.89 3.33 -1.38 0.00 -1.24 -4.54 105.19 104.61 1wrf n GLY 125 Ca -0.01 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.49 0.54 -0.09 1.61 1.02 0.07 -1.30 119.74 118.10 1wrf s LYS 126 Ca 0.00 0.53 -0.03 0.00 0.02 0.00 0.00 55.97 56.48 1wrf s LYS 126 Cb 0.00 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1wrf s LYS 126 CO 0.00 -0.08 0.06 0.42 -0.92 0.00 0.00 175.35 174.83 1wrf s ILE 127 N 0.06 4.75 0.39 2.17 1.01 -1.10 -1.61 121.20 126.86 1wrf s ILE 127 Ca -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1wrf s ILE 127 Cb -0.03 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1wrf s ILE 127 CO 0.01 0.57 0.08 -0.13 0.00 0.00 0.00 174.94 175.48 1wrf s ARG 128 N -1.05 1.86 0.00 2.79 0.52 -0.68 -3.92 118.95 118.47 1wrf s ARG 128 Ca 0.15 -2.10 0.26 0.00 -0.52 0.00 0.00 55.73 53.52 1wrf s ARG 128 Cb -0.12 -0.84 0.61 0.00 0.52 0.00 0.00 34.95 35.12 1wrf s ARG 128 CO 0.04 -0.34 1.50 -3.47 0.02 0.00 0.00 175.30 173.05