#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wge n SER 2 N 0.00 -1.54 -2.41 1.61 2.88 -1.26 -4.80 113.62 108.10 1wge n SER 2 Ca 0.00 -1.21 -0.35 0.00 -1.33 0.00 0.00 58.87 55.98 1wge n SER 2 Cb 0.00 -1.82 0.06 0.00 -0.75 0.00 0.00 64.21 61.70 1wge n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wge n SER 3 N -2.58 7.33 0.00 -3.46 2.88 -1.26 -4.99 113.62 111.54 1wge n SER 3 Ca 0.02 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 1wge n SER 3 Cb 0.51 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 1wge n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wge n GLY 4 N -0.82 3.32 3.60 0.46 0.00 -1.26 -5.04 105.19 105.44 1wge n GLY 4 Ca 0.59 -1.94 -0.53 0.00 0.00 0.00 0.00 46.02 44.13 1wge n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wge n SER 5 N 0.00 1.59 -0.26 1.61 3.41 -1.26 -4.84 113.62 113.87 1wge n SER 5 Ca 0.00 1.12 -0.06 0.00 -0.26 0.00 0.00 58.87 59.66 1wge n SER 5 Cb 0.00 -1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 62.77 1wge n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wge h SER 6 N 4.69 -1.46 0.00 4.04 4.64 -2.01 -3.41 113.55 120.04 1wge h SER 6 Ca -0.48 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1wge h SER 6 Cb 1.34 0.69 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1wge h SER 6 CO 0.79 -0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 1wge n GLY 7 N -1.41 0.00 3.60 -0.77 0.00 -1.26 -5.11 105.19 100.23 1wge n GLY 7 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1wge n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wge s MET 8 N 0.00 3.14 -0.60 1.61 -1.94 -1.26 -4.91 119.30 115.34 1wge s MET 8 Ca 0.00 2.03 -0.24 0.00 -1.71 0.00 0.00 55.69 55.78 1wge s MET 8 Cb 0.00 -4.37 0.05 0.00 2.01 0.00 0.00 34.83 32.52 1wge s MET 8 CO 0.00 -2.10 0.97 0.00 -0.01 0.00 0.00 175.02 173.88 1wge s ALA 9 N 8.27 3.12 -0.31 3.03 0.00 -1.26 -4.99 121.76 129.63 1wge s ALA 9 Ca 1.00 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1wge s ALA 9 Cb -0.33 -3.81 0.09 0.00 0.00 0.00 0.00 23.12 19.07 1wge s ALA 9 CO 0.35 -2.57 0.05 0.54 0.00 0.00 0.00 175.76 174.13 1wge s VAL 10 N 4.10 1.58 0.24 0.00 0.11 -1.26 -5.12 120.40 120.05 1wge s VAL 10 Ca 0.28 -1.75 0.05 0.00 -2.93 0.00 0.00 61.98 57.63 1wge s VAL 10 Cb -0.14 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 1wge s VAL 10 CO 0.16 -0.53 0.32 -0.36 -3.33 0.00 0.00 175.10 171.36 1wge s PHE 11 N 1.28 3.37 0.01 1.54 0.40 -1.26 -4.81 117.98 118.51 1wge s PHE 11 Ca 0.07 -0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.19 1wge s PHE 11 Cb -0.18 -1.53 -0.29 0.00 0.51 0.00 0.00 43.02 41.53 1wge s PHE 11 CO -0.14 0.46 1.04 1.25 0.70 0.00 0.00 175.22 178.53 1wge h HIS 12 N 1.30 0.80 -1.63 0.36 -0.00 -1.94 -3.49 115.15 110.55 1wge h HIS 12 Ca -0.51 -0.51 0.26 0.00 -0.00 0.00 0.00 60.37 59.61 1wge h HIS 12 Cb 1.23 -0.06 -0.15 0.00 -0.00 0.00 0.00 27.41 28.43 1wge h HIS 12 CO 0.48 1.36 0.75 -0.51 -0.00 0.00 0.00 177.93 180.02 1wge s ASP 13 N -7.16 -0.13 -0.34 3.26 1.01 -1.26 -5.11 116.67 106.94 1wge s ASP 13 Ca -0.11 -0.10 -0.10 0.00 0.71 0.00 0.00 52.55 52.95 1wge s ASP 13 Cb 0.04 0.21 0.00 0.00 1.01 0.00 0.00 42.92 44.18 1wge s ASP 13 CO 0.88 -0.37 0.18 -1.61 0.21 0.00 0.00 175.17 174.46 1wge s GLU 14 N -2.58 3.16 -0.02 8.23 2.02 -1.26 -2.66 118.70 125.59 1wge s GLU 14 Ca 0.11 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.34 1wge s GLU 14 Cb 0.01 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.59 1wge s GLU 14 CO -0.04 -0.52 -0.26 0.08 0.02 0.00 0.00 175.26 174.54 1wge s VAL 15 N 1.60 2.03 0.08 2.63 1.01 -0.31 -4.95 120.40 122.49 1wge s VAL 15 Ca 0.04 -1.10 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 1wge s VAL 15 Cb -0.18 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1wge s VAL 15 CO 0.07 0.57 0.85 -1.61 0.00 0.00 0.00 175.10 174.98 1wge s GLU 16 N -0.58 4.59 0.60 2.72 2.02 -1.26 0.02 118.70 126.81 1wge s GLU 16 Ca 0.09 1.24 0.28 0.00 0.02 0.00 0.00 54.97 56.61 1wge s GLU 16 Cb -0.10 -3.37 1.17 0.00 0.10 0.00 0.00 34.13 31.93 1wge s GLU 16 CO -0.01 0.26 1.54 0.97 0.02 0.00 0.00 175.26 178.04 1wge h ILE 17 N 4.07 0.13 -0.99 -1.63 6.09 -1.51 0.28 117.51 123.96 1wge h ILE 17 Ca -0.43 0.00 0.22 0.00 -1.37 0.00 0.00 64.86 63.27 1wge h ILE 17 Cb 1.21 0.24 -0.09 0.00 0.47 0.00 0.00 36.82 38.64 1wge h ILE 17 CO 0.71 0.00 0.62 -0.33 -3.07 0.00 0.00 178.15 176.09 1wge h GLU 18 N 0.00 0.55 0.00 2.19 5.08 -1.91 0.25 114.58 120.73 1wge h GLU 18 Ca 0.40 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.53 1wge h GLU 18 Cb 2.29 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 31.39 1wge h GLU 18 CO -0.00 0.36 -0.93 -0.44 -1.00 0.00 0.00 179.01 177.00 1wge h ASP 19 N 0.56 0.00 -3.96 1.42 5.19 -0.82 -3.46 116.42 115.35 1wge h ASP 19 Ca 0.56 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.42 1wge h ASP 19 Cb 1.16 0.00 0.17 0.00 0.18 0.00 0.00 39.33 40.84 1wge h ASP 19 CO -0.31 0.93 0.27 0.49 -3.12 0.00 0.00 179.24 177.49 1wge n PHE 20 N -3.36 1.15 -3.55 4.55 3.01 0.86 -4.97 117.46 115.16 1wge n PHE 20 Ca 0.00 0.40 -0.41 0.00 1.01 0.00 0.00 57.45 58.45 1wge n PHE 20 Cb 0.90 -2.14 -0.09 0.00 -0.01 0.00 0.00 39.48 38.14 1wge n PHE 20 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1wge s GLN 21 N -3.52 2.63 -0.12 -1.08 -0.21 -0.41 -4.83 119.66 112.12 1wge s GLN 21 Ca 0.76 -1.54 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 1wge s GLN 21 Cb -0.34 -3.89 -0.01 0.00 1.00 0.00 0.00 33.01 29.77 1wge s GLN 21 CO 0.48 -1.05 1.00 -0.47 -2.12 0.00 0.00 175.29 173.13 1wge s TYR 22 N 1.44 3.49 -0.43 0.91 6.14 -1.26 -1.30 117.35 126.35 1wge s TYR 22 Ca 0.04 1.56 -0.06 0.00 0.64 0.00 0.00 57.07 59.25 1wge s TYR 22 Cb -0.24 -3.18 0.10 0.00 0.42 0.00 0.00 41.96 39.06 1wge s TYR 22 CO 0.02 -0.25 0.25 0.34 0.64 0.00 0.00 175.55 176.55 1wge s ASP 23 N 1.11 5.46 0.48 4.32 -1.08 -0.53 -4.95 116.67 121.48 1wge s ASP 23 Ca 0.47 -1.86 0.29 0.00 -0.52 0.00 0.00 52.55 50.93 1wge s ASP 23 Cb -0.18 -1.91 1.36 0.00 -1.46 0.00 0.00 42.92 40.73 1wge s ASP 23 CO 0.16 -0.58 1.78 1.05 0.52 0.00 0.00 175.17 178.10 1wge h GLU 24 N 8.25 0.16 -0.96 4.34 4.11 -1.95 0.33 114.58 128.87 1wge h GLU 24 Ca -0.18 -0.01 0.14 0.00 0.07 0.00 0.00 59.36 59.38 1wge h GLU 24 Cb 1.06 -0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 1wge h GLU 24 CO 0.76 0.11 -0.41 -0.25 0.07 0.00 0.00 179.01 179.29 1wge n ASP 25 N -4.40 -0.69 -0.52 3.06 8.00 -1.26 -2.31 116.55 118.43 1wge n ASP 25 Ca 0.26 1.68 0.05 0.00 0.71 0.00 0.00 54.79 57.50 1wge n ASP 25 Cb 1.12 -0.35 0.10 0.00 -0.02 0.00 0.00 41.12 41.96 1wge n ASP 25 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wge n SER 26 N -5.37 1.35 -4.19 -2.24 7.64 -0.64 -5.00 113.62 105.16 1wge n SER 26 Ca 0.08 -2.78 -0.34 0.00 1.01 0.00 0.00 58.87 56.85 1wge n SER 26 Cb 0.36 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wge n GLU 27 N -0.67 -1.10 -4.44 1.43 1.02 0.11 -4.82 120.64 112.17 1wge n GLU 27 Ca 0.11 0.14 -0.21 0.00 -0.02 0.00 0.00 57.16 57.17 1wge n GLU 27 Cb 0.75 -3.47 -0.16 0.00 -0.02 0.00 0.00 31.44 28.54 1wge n GLU 27 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wge s THR 28 N -4.10 0.86 0.62 2.62 2.01 -1.13 -1.65 115.64 114.88 1wge s THR 28 Ca 0.13 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1wge s THR 28 Cb -0.07 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.67 1wge s THR 28 CO 0.97 0.27 0.96 -0.31 -0.69 0.00 0.00 174.62 175.83 1wge s TYR 29 N 0.30 3.32 0.06 4.92 1.51 -1.01 -1.45 117.35 125.00 1wge s TYR 29 Ca -0.05 0.82 -0.02 0.00 -1.01 0.00 0.00 57.07 56.81 1wge s TYR 29 Cb -0.10 -2.81 -0.04 0.00 -0.11 0.00 0.00 41.96 38.90 1wge s TYR 29 CO 0.01 -0.89 -0.01 -0.06 -1.11 0.00 0.00 175.55 173.49 1wge s PHE 30 N -3.10 0.50 -0.25 2.71 0.08 -0.42 -3.04 117.98 114.46 1wge s PHE 30 Ca 0.55 -1.03 -0.25 0.00 0.12 0.00 0.00 56.93 56.31 1wge s PHE 30 Cb -0.11 -0.36 0.07 0.00 -0.57 0.00 0.00 43.02 42.05 1wge s PHE 30 CO 0.48 -0.40 0.71 -0.47 -0.10 0.00 0.00 175.22 175.44 1wge s TYR 31 N -3.92 -0.78 -0.20 0.36 5.04 -1.19 -1.29 117.35 115.38 1wge s TYR 31 Ca 0.07 1.86 -0.29 0.00 -2.44 0.00 0.00 57.07 56.27 1wge s TYR 31 Cb 0.08 0.28 -0.03 0.00 0.35 0.00 0.00 41.96 42.64 1wge s TYR 31 CO -0.10 -0.40 1.60 -1.25 -1.34 0.00 0.00 175.55 174.06 1wge s PRO 32 N 0.25 3.86 0.00 4.97 0.04 -1.26 0.64 135.00 143.51 1wge s PRO 32 Ca -0.01 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 1wge s PRO 32 Cb -0.05 -4.01 -0.06 0.00 0.04 0.00 0.00 34.50 30.42 1wge s PRO 32 CO 0.02 -1.21 0.55 0.00 0.04 0.00 0.00 177.00 176.40 1wge n PRO 34 N 2.44 0.49 -0.01 0.00 -0.04 -1.26 -2.58 135.00 134.05 1wge n PRO 34 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1wge n PRO 34 Cb 0.51 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 1wge n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wge n GLY 36 N 3.42 -1.19 3.76 0.00 0.00 -1.06 -5.07 105.19 105.04 1wge n GLY 36 Ca -0.02 0.43 -0.39 0.00 0.00 0.00 0.00 46.02 46.04 1wge n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wge s ASP 37 N -2.59 5.91 -0.03 1.61 1.11 -1.26 -4.53 116.67 116.88 1wge s ASP 37 Ca 0.00 2.70 -0.25 0.00 0.18 0.00 0.00 52.55 55.18 1wge s ASP 37 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 1wge s ASP 37 CO 0.00 -1.13 0.77 0.20 1.18 0.00 0.00 175.17 176.19 1wge s ASN 38 N -0.82 7.11 1.06 0.27 0.01 -1.26 -3.53 114.94 117.77 1wge s ASN 38 Ca 0.63 1.33 -0.19 0.00 -0.71 0.00 0.00 52.86 53.92 1wge s ASN 38 Cb -0.39 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 38.84 1wge s ASN 38 CO 0.49 -0.12 -0.24 0.49 -1.51 0.00 0.00 177.10 176.21 1wge n PHE 39 N 3.63 -1.67 -3.65 2.20 3.72 0.21 -4.68 117.46 117.22 1wge n PHE 39 Ca 0.00 0.23 -0.07 0.00 -0.05 0.00 0.00 57.45 57.57 1wge n PHE 39 Cb 0.51 -1.57 -0.07 0.00 -0.94 0.00 0.00 39.48 37.41 1wge n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wge s ALA 40 N -2.21 -1.82 -0.13 4.37 0.00 -1.13 -3.15 121.76 117.69 1wge s ALA 40 Ca 0.52 2.33 -0.04 0.00 0.00 0.00 0.00 51.96 54.77 1wge s ALA 40 Cb -0.10 -1.42 0.06 0.00 0.00 0.00 0.00 23.12 21.66 1wge s ALA 40 CO 0.68 -0.43 0.15 -1.50 0.00 0.00 0.00 175.76 174.65 1wge s ILE 41 N 1.77 -0.22 0.23 0.00 2.07 -1.17 -3.67 121.20 120.20 1wge s ILE 41 Ca -0.09 0.11 -0.31 0.00 -1.41 0.00 0.00 60.65 58.94 1wge s ILE 41 Cb -0.06 -0.45 -0.12 0.00 0.13 0.00 0.00 42.46 41.96 1wge s ILE 41 CO -0.19 -0.05 1.69 0.42 -1.91 0.00 0.00 174.94 174.90 1wge s THR 42 N 2.25 2.04 0.31 4.00 -4.23 -1.26 -2.39 115.64 116.36 1wge s THR 42 Ca 0.04 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1wge s THR 42 Cb -0.14 -3.02 0.31 0.00 1.34 0.00 0.00 72.50 70.99 1wge s THR 42 CO -0.08 0.00 1.68 0.50 -0.54 0.00 0.00 174.62 176.18 1wge h LYS 43 N 6.29 0.34 -0.89 3.99 3.11 -1.63 0.35 116.57 128.13 1wge h LYS 43 Ca -0.44 -0.02 0.16 0.00 -2.81 0.00 0.00 60.65 57.54 1wge h LYS 43 Cb 1.21 -0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 32.26 1wge h LYS 43 CO 0.91 0.22 0.48 1.49 -2.81 0.00 0.00 179.45 179.75 1wge h GLU 44 N 0.35 0.63 0.06 1.90 4.81 -1.89 -1.48 114.58 118.96 1wge h GLU 44 Ca 0.63 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 1wge h GLU 44 Cb 1.31 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wge h GLU 44 CO -0.58 0.41 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.64 1wge h ASP 45 N 0.65 -0.07 -0.50 1.04 5.19 -0.66 -2.61 116.42 119.46 1wge h ASP 45 Ca 0.50 -0.06 0.09 0.00 -0.62 0.00 0.00 57.03 56.94 1wge h ASP 45 Cb 0.75 0.02 -0.10 0.00 0.18 0.00 0.00 39.33 40.17 1wge h ASP 45 CO -0.38 0.02 -0.32 -0.07 -3.12 0.00 0.00 179.24 175.36 1wge h LEU 46 N -0.15 -1.10 -2.37 1.55 3.38 -1.13 0.62 115.31 116.12 1wge h LEU 46 Ca -0.01 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1wge h LEU 46 Cb 0.12 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wge h LEU 46 CO 0.01 -0.31 0.08 -0.33 0.09 0.00 0.00 178.44 177.99 1wge h GLU 47 N -0.20 0.00 -0.22 1.13 5.08 -1.37 0.15 114.58 119.15 1wge h GLU 47 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1wge h GLU 47 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wge h GLU 47 CO -0.61 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.49 1wge n ASN 48 N -3.83 0.55 -2.19 1.42 3.02 0.21 -4.83 115.26 109.63 1wge n ASN 48 Ca -0.01 -2.01 -0.14 0.00 -0.03 0.00 0.00 54.58 52.38 1wge n ASN 48 Cb 0.18 -0.13 0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1wge n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wge n GLY 49 N 0.52 -0.01 0.07 7.41 0.00 0.52 -4.96 105.19 108.73 1wge n GLY 49 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1wge n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wge h GLU 50 N -1.28 0.00 -6.57 1.61 4.39 -1.52 -3.48 114.58 107.73 1wge h GLU 50 Ca -0.34 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 58.84 1wge h GLU 50 Cb 1.23 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.74 1wge h GLU 50 CO 0.35 0.28 -0.81 -0.40 -1.16 0.00 0.00 179.01 177.27 1wge n ASP 51 N -4.64 -3.54 -3.77 1.42 5.75 -1.26 -4.94 116.55 105.56 1wge n ASP 51 Ca -0.09 -0.93 -0.20 0.00 -0.01 0.00 0.00 54.79 53.56 1wge n ASP 51 Cb 0.27 -3.17 -0.17 0.00 -1.03 0.00 0.00 41.12 37.01 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1wge s VAL 52 N -3.35 0.21 -0.27 2.12 1.01 -1.26 -2.38 120.40 116.49 1wge s VAL 52 Ca 0.65 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 1wge s VAL 52 Cb -0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1wge s VAL 52 CO 0.89 0.21 0.07 0.00 0.00 0.00 0.00 175.10 176.27 1wge s ALA 53 N 1.68 3.12 -0.06 5.51 0.00 -1.14 -4.80 121.76 126.06 1wge s ALA 53 Ca -0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 1wge s ALA 53 Cb -0.13 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1wge s ALA 53 CO -0.03 -0.66 0.21 0.99 0.00 0.00 0.00 175.76 176.26 1wge s THR 54 N 1.57 5.39 -0.18 0.00 2.01 -1.24 -3.24 115.64 119.95 1wge s THR 54 Ca 0.05 0.24 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1wge s THR 54 Cb -0.16 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1wge s THR 54 CO 0.03 0.52 0.14 0.00 -0.69 0.00 0.00 174.62 174.62 1wge n PRO 56 N 3.27 0.48 0.01 0.00 -0.04 -1.26 -0.14 135.00 137.32 1wge n PRO 56 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1wge n PRO 56 Cb 0.52 -1.13 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1wge n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wge n SER 57 N -0.63 0.26 0.05 3.54 2.88 -1.26 -4.86 113.62 113.61 1wge n SER 57 Ca 0.03 0.03 0.11 0.00 -1.33 0.00 0.00 58.87 57.72 1wge n SER 57 Cb 0.01 -0.09 -0.04 0.00 -0.75 0.00 0.00 64.21 63.34 1wge n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wge n SER 59 N -2.36 -3.48 -4.77 0.00 7.64 0.80 -4.91 113.62 106.55 1wge n SER 59 Ca -0.01 -0.04 -0.38 0.00 1.01 0.00 0.00 58.87 59.45 1wge n SER 59 Cb 0.52 -2.64 -0.00 0.00 -1.01 0.00 0.00 64.21 61.08 1wge n SER 59 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wge s LEU 60 N -3.05 4.03 -0.16 -3.43 1.43 -1.26 -4.40 118.68 111.84 1wge s LEU 60 Ca 0.04 2.45 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1wge s LEU 60 Cb -0.02 -4.17 0.02 0.00 0.03 0.00 0.00 46.19 42.05 1wge s LEU 60 CO 0.05 -1.00 -0.20 0.27 0.23 0.00 0.00 176.35 175.70 1wge s ILE 61 N -1.44 1.99 0.22 -0.59 -4.36 -1.24 -2.76 121.20 113.02 1wge s ILE 61 Ca 0.63 -0.91 0.11 0.00 -0.26 0.00 0.00 60.65 60.22 1wge s ILE 61 Cb -0.32 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.55 1wge s ILE 61 CO 0.40 0.53 -0.20 0.27 0.24 0.00 0.00 174.94 176.18 1wge s ILE 62 N 1.13 2.53 -0.35 8.37 -4.36 -1.20 -3.07 121.20 124.26 1wge s ILE 62 Ca 0.00 -2.10 -0.23 0.00 -0.26 0.00 0.00 60.65 58.06 1wge s ILE 62 Cb -0.14 -2.26 0.01 0.00 1.25 0.00 0.00 42.46 41.32 1wge s ILE 62 CO -0.08 -0.21 0.78 -0.75 0.24 0.00 0.00 174.94 174.91 1wge s LYS 63 N -2.99 3.81 -0.57 0.37 2.47 -1.09 -2.90 119.74 118.85 1wge s LYS 63 Ca 0.25 0.38 -0.23 0.00 -1.56 0.00 0.00 55.97 54.81 1wge s LYS 63 Cb -0.07 -3.78 0.05 0.00 -1.46 0.00 0.00 37.83 32.57 1wge s LYS 63 CO 0.12 -0.79 0.87 0.08 0.16 0.00 0.00 175.35 175.79 1wge s VAL 64 N 3.04 4.49 -0.62 4.02 1.01 -1.00 -1.16 120.40 130.18 1wge s VAL 64 Ca 0.31 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1wge s VAL 64 Cb -0.13 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.75 1wge s VAL 64 CO 0.15 -1.13 1.35 -0.63 0.00 0.00 0.00 175.10 174.85 1wge s ILE 65 N 3.66 3.79 0.18 2.22 -1.09 0.10 -4.73 121.20 125.33 1wge s ILE 65 Ca 0.25 0.62 0.03 0.00 -2.23 0.00 0.00 60.65 59.32 1wge s ILE 65 Cb -0.15 -4.62 -0.05 0.00 -1.58 0.00 0.00 42.46 36.06 1wge s ILE 65 CO 0.15 -1.40 -0.02 -0.72 -1.23 0.00 0.00 174.94 171.72 1wge s TYR 66 N 5.90 1.32 -0.74 3.97 -0.85 -1.26 -1.36 117.35 124.33 1wge s TYR 66 Ca 0.46 -0.94 -0.26 0.00 -0.52 0.00 0.00 57.07 55.81 1wge s TYR 66 Cb -0.09 -0.74 0.01 0.00 0.38 0.00 0.00 41.96 41.51 1wge s TYR 66 CO 0.22 -0.10 1.53 -0.51 -1.52 0.00 0.00 175.55 175.17 1wge s ASP 67 N -3.21 5.83 0.51 -0.18 1.01 -1.26 -4.84 116.67 114.53 1wge s ASP 67 Ca 0.24 -0.32 0.27 0.00 0.71 0.00 0.00 52.55 53.44 1wge s ASP 67 Cb 0.05 -2.55 1.36 0.00 1.01 0.00 0.00 42.92 42.79 1wge s ASP 67 CO 0.05 -2.04 1.91 0.11 0.21 0.00 0.00 175.17 175.40 1wge h LYS 68 N 11.70 0.10 -0.50 8.23 1.57 -1.99 0.95 116.57 136.64 1wge h LYS 68 Ca -0.20 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1wge h LYS 68 Cb 1.08 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1wge h LYS 68 CO 1.27 0.06 0.02 -0.44 -0.57 0.00 0.00 179.45 179.80 1wge h ASP 69 N 0.10 0.85 -0.02 0.86 3.32 -1.98 0.38 116.42 119.94 1wge h ASP 69 Ca 0.39 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1wge h ASP 69 Cb 1.40 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1wge h ASP 69 CO -0.05 0.93 0.00 1.56 -1.72 0.00 0.00 179.24 179.97 1wge h GLN 70 N 0.74 0.03 -0.35 3.56 7.50 -1.19 -1.84 115.11 123.55 1wge h GLN 70 Ca 0.15 -0.01 -0.08 0.00 0.50 0.00 0.00 58.65 59.21 1wge h GLN 70 Cb 0.49 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.00 1wge h GLN 70 CO 0.02 0.32 -0.07 0.74 -1.50 0.00 0.00 178.83 178.34 1wge h PHE 71 N -0.27 0.75 0.33 2.96 -1.00 -1.38 -3.29 116.94 115.04 1wge h PHE 71 Ca 0.00 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.62 1wge h PHE 71 Cb 0.31 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1wge h PHE 71 CO 0.03 0.82 -0.30 0.52 -1.61 0.00 0.00 178.31 177.78 1wge h MET 72 N 0.47 -0.59 -6.23 1.51 2.86 -0.23 -3.42 114.93 109.29 1wge h MET 72 Ca 0.09 0.04 -0.70 0.00 -2.06 0.00 0.00 59.70 57.08 1wge h MET 72 Cb 0.57 0.13 0.05 0.00 0.06 0.00 0.00 31.60 32.42 1wge h MET 72 CO 0.03 -0.39 0.44 0.00 1.06 0.00 0.00 176.91 178.05 1wge n GLY 74 N 2.53 2.11 3.33 0.00 0.00 -1.26 -4.93 105.19 106.97 1wge n GLY 74 Ca 0.19 0.09 -0.55 0.00 0.00 0.00 0.00 46.02 45.75 1wge n GLY 74 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wge n GLU 75 N 0.00 0.00 -3.13 1.61 0.28 -1.26 -4.89 120.64 113.25 1wge n GLU 75 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 1wge n GLU 75 Cb 0.00 -1.36 -0.06 0.00 1.43 0.00 0.00 31.44 31.45 1wge n GLU 75 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1wge s THR 76 N -0.14 4.57 0.21 3.84 -1.32 -1.26 -5.01 115.64 116.53 1wge s THR 76 Ca 0.83 1.36 -0.32 0.00 -1.21 0.00 0.00 61.69 62.35 1wge s THR 76 Cb -1.16 -3.94 -0.12 0.00 -1.51 0.00 0.00 72.50 65.76 1wge s THR 76 CO 0.54 0.39 1.73 1.33 -2.21 0.00 0.00 174.62 176.40 1wge n VAL 77 N 1.24 0.03 -1.51 5.08 0.24 -1.26 -4.82 118.33 117.33 1wge n VAL 77 Ca -0.06 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.34 61.81 1wge n VAL 77 Cb 0.50 -2.00 -0.07 0.00 -1.47 0.00 0.00 33.84 30.81 1wge n VAL 77 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wge n SER 78 N 3.93 1.97 -3.44 -1.34 7.64 -1.26 -4.88 113.62 116.25 1wge n SER 78 Ca 0.16 0.02 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 1wge n SER 78 Cb 0.35 -1.34 -0.11 0.00 -1.01 0.00 0.00 64.21 62.10 1wge n SER 78 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wge s GLY 79 N 9.45 0.20 -0.23 0.23 0.00 -1.26 -5.11 107.32 110.59 1wge s GLY 79 Ca 1.10 -0.88 -0.29 0.00 0.00 0.00 0.00 44.72 44.64 1wge s GLY 79 CO 0.40 2.43 1.62 2.56 0.00 0.00 0.00 173.10 180.11 1wge s PRO 80 N 1.92 3.76 0.98 2.90 0.04 -1.26 -4.98 135.00 138.36 1wge s PRO 80 Ca 0.12 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1wge s PRO 80 Cb -0.16 -4.04 0.01 0.00 0.04 0.00 0.00 34.50 30.34 1wge s PRO 80 CO -0.23 -1.34 0.11 0.45 0.04 0.00 0.00 177.00 176.03 1wge n SER 81 N 8.57 -2.79 -4.33 6.66 2.88 -1.26 -4.99 113.62 118.36 1wge n SER 81 Ca 0.19 0.24 -0.28 0.00 -1.33 0.00 0.00 58.87 57.69 1wge n SER 81 Cb 0.45 -1.09 0.16 0.00 -0.75 0.00 0.00 64.21 62.99 1wge n SER 81 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wge s SER 82 N -1.80 3.54 0.00 -3.46 0.15 -1.26 -5.34 113.70 105.53 1wge s SER 82 Ca 0.53 0.11 0.23 0.00 0.70 0.00 0.00 55.95 57.53 1wge s SER 82 Cb -0.19 -0.28 1.38 0.00 -1.71 0.00 0.00 66.02 65.22 1wge s SER 82 CO 0.70 -2.44 1.75 0.61 1.20 0.00 0.00 173.24 175.05