#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wge s SER 2 N 0.00 -0.89 -0.05 1.61 0.15 -1.26 -5.14 113.70 108.11 1wge s SER 2 Ca 0.00 1.43 -0.28 0.00 0.70 0.00 0.00 55.95 57.80 1wge s SER 2 Cb 0.00 1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 65.65 1wge s SER 2 CO 0.00 -0.23 0.89 -0.44 1.20 0.00 0.00 173.24 174.66 1wge s SER 3 N 1.70 7.20 0.00 5.45 0.01 -1.26 -4.52 113.70 122.28 1wge s SER 3 Ca -0.10 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1wge s SER 3 Cb -0.06 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wge s SER 3 CO -0.19 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1wge n GLY 4 N 3.05 0.92 3.74 3.44 0.00 -1.26 -5.14 105.19 109.94 1wge n GLY 4 Ca 0.04 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.49 -3.73 1.61 3.41 -1.26 -4.97 113.62 112.16 1wge n SER 5 Ca 0.00 1.19 -0.28 0.00 -0.26 0.00 0.00 58.87 59.52 1wge n SER 5 Cb 0.00 -1.56 -0.12 0.00 -0.26 0.00 0.00 64.21 62.26 1wge n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wge s SER 6 N 0.06 3.65 -0.28 4.04 1.04 -1.26 -4.93 113.70 116.01 1wge s SER 6 Ca 0.58 -3.21 0.11 0.00 0.48 0.00 0.00 55.95 53.91 1wge s SER 6 Cb -0.52 -1.18 0.47 0.00 0.10 0.00 0.00 66.02 64.90 1wge s SER 6 CO 0.58 -0.18 1.17 0.61 0.98 0.00 0.00 173.24 176.40 1wge n GLY 7 N 2.77 5.29 3.64 7.32 0.00 -1.26 -5.04 105.19 117.92 1wge n GLY 7 Ca 0.17 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 1wge n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wge s MET 8 N -3.65 4.02 -0.43 1.61 -2.45 -1.26 -5.06 119.30 112.09 1wge s MET 8 Ca 0.45 -0.30 0.04 0.00 -1.25 0.00 0.00 55.69 54.63 1wge s MET 8 Cb 0.39 -3.39 0.12 0.00 1.25 0.00 0.00 34.83 33.19 1wge s MET 8 CO 0.02 0.15 0.16 0.00 1.05 0.00 0.00 175.02 176.40 1wge s ALA 9 N 0.76 3.02 -0.33 4.11 0.00 -1.26 -5.05 121.76 123.00 1wge s ALA 9 Ca 0.06 -2.86 0.04 0.00 0.00 0.00 0.00 51.96 49.20 1wge s ALA 9 Cb -0.13 -2.04 0.10 0.00 0.00 0.00 0.00 23.12 21.04 1wge s ALA 9 CO 0.02 -1.86 0.04 0.54 0.00 0.00 0.00 175.76 174.50 1wge s VAL 10 N 0.35 2.21 0.32 0.00 0.11 -1.26 -5.11 120.40 117.02 1wge s VAL 10 Ca 0.14 -2.24 0.07 0.00 -2.93 0.00 0.00 61.98 57.02 1wge s VAL 10 Cb -0.22 -2.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.99 1wge s VAL 10 CO -0.05 -0.55 0.31 -0.36 -3.33 0.00 0.00 175.10 171.13 1wge s PHE 11 N 0.95 3.00 -0.12 1.54 0.40 -1.26 -4.68 117.98 117.80 1wge s PHE 11 Ca 0.09 -0.24 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 1wge s PHE 11 Cb -0.19 -1.75 -0.26 0.00 0.51 0.00 0.00 43.02 41.33 1wge s PHE 11 CO -0.08 0.22 0.45 1.25 0.70 0.00 0.00 175.22 177.76 1wge h HIS 12 N 1.23 0.39 -1.94 0.36 -0.00 -1.91 -3.50 115.15 109.77 1wge h HIS 12 Ca -0.46 -0.29 0.18 0.00 -0.00 0.00 0.00 60.37 59.80 1wge h HIS 12 Cb 1.25 -0.02 -0.16 0.00 -0.00 0.00 0.00 27.41 28.48 1wge h HIS 12 CO 0.51 1.62 0.63 -0.51 -0.00 0.00 0.00 177.93 180.18 1wge s ASP 13 N -7.02 -0.25 -0.39 3.26 1.01 -1.26 -5.10 116.67 106.91 1wge s ASP 13 Ca -0.22 -0.03 -0.15 0.00 0.71 0.00 0.00 52.55 52.86 1wge s ASP 13 Cb 0.05 0.29 0.01 0.00 1.01 0.00 0.00 42.92 44.28 1wge s ASP 13 CO 0.74 -0.48 0.31 -1.61 0.21 0.00 0.00 175.17 174.34 1wge s GLU 14 N -2.83 3.12 -0.04 8.23 2.02 -1.26 -2.67 118.70 125.26 1wge s GLU 14 Ca 0.07 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.24 1wge s GLU 14 Cb -0.01 -3.94 -0.02 0.00 0.10 0.00 0.00 34.13 30.27 1wge s GLU 14 CO -0.07 -0.69 -0.22 0.08 0.02 0.00 0.00 175.26 174.38 1wge s VAL 15 N 1.76 2.37 0.13 2.63 1.01 -0.17 -4.94 120.40 123.19 1wge s VAL 15 Ca 0.06 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 1wge s VAL 15 Cb -0.18 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 1wge s VAL 15 CO 0.11 0.58 0.93 -1.61 0.00 0.00 0.00 175.10 175.11 1wge s GLU 16 N -0.50 4.71 0.62 2.72 2.02 -1.26 -0.29 118.70 126.72 1wge s GLU 16 Ca 0.06 1.41 0.23 0.00 0.02 0.00 0.00 54.97 56.70 1wge s GLU 16 Cb -0.11 -3.35 1.07 0.00 0.10 0.00 0.00 34.13 31.83 1wge s GLU 16 CO 0.01 0.30 1.55 0.97 0.02 0.00 0.00 175.26 178.11 1wge h ILE 17 N 3.83 0.11 -0.95 -1.63 6.09 -1.67 0.19 117.51 123.48 1wge h ILE 17 Ca -0.44 0.00 0.19 0.00 -1.37 0.00 0.00 64.86 63.24 1wge h ILE 17 Cb 1.21 0.32 -0.08 0.00 0.47 0.00 0.00 36.82 38.74 1wge h ILE 17 CO 0.71 0.00 0.61 -0.33 -3.07 0.00 0.00 178.15 176.06 1wge h GLU 18 N 0.00 0.60 0.00 2.19 4.39 -1.91 0.13 114.58 119.98 1wge h GLU 18 Ca 0.22 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.69 1wge h GLU 18 Cb 1.77 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.25 1wge h GLU 18 CO -0.00 0.40 -0.90 -0.44 -1.16 0.00 0.00 179.01 176.90 1wge h ASP 19 N 0.62 0.00 -3.98 1.42 3.32 -1.00 -3.46 116.42 113.33 1wge h ASP 19 Ca 0.51 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 57.02 1wge h ASP 19 Cb 0.97 0.00 0.19 0.00 0.22 0.00 0.00 39.33 40.71 1wge h ASP 19 CO -0.26 0.90 0.16 0.49 -1.72 0.00 0.00 179.24 178.80 1wge n PHE 20 N -3.32 0.76 -3.72 4.55 3.01 0.46 -4.96 117.46 114.24 1wge n PHE 20 Ca 0.00 0.38 -0.37 0.00 1.01 0.00 0.00 57.45 58.47 1wge n PHE 20 Cb 0.90 -2.06 -0.11 0.00 -0.01 0.00 0.00 39.48 38.20 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 -3.86 2.22 0.02 -1.08 -0.21 -0.17 -4.82 119.66 111.77 1wge s GLN 21 Ca 0.71 -1.69 -0.30 0.00 0.02 0.00 0.00 55.36 54.10 1wge s GLN 21 Cb -0.29 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 1wge s GLN 21 CO 0.53 -1.03 1.02 -0.47 -2.12 0.00 0.00 175.29 173.23 1wge s TYR 22 N 1.24 3.63 -0.37 0.91 6.14 -1.26 -1.13 117.35 126.50 1wge s TYR 22 Ca 0.06 1.63 -0.00 0.00 0.64 0.00 0.00 57.07 59.39 1wge s TYR 22 Cb -0.23 -3.18 0.10 0.00 0.42 0.00 0.00 41.96 39.07 1wge s TYR 22 CO -0.02 -0.25 0.12 0.34 0.64 0.00 0.00 175.55 176.38 1wge s ASP 23 N 0.94 5.03 0.35 4.32 -1.08 -0.42 -4.94 116.67 120.87 1wge s ASP 23 Ca 0.53 -2.01 0.13 0.00 -0.52 0.00 0.00 52.55 50.68 1wge s ASP 23 Cb -0.23 -1.74 0.94 0.00 -1.46 0.00 0.00 42.92 40.43 1wge s ASP 23 CO 0.28 -0.45 1.77 1.05 0.52 0.00 0.00 175.17 178.34 1wge h GLU 24 N 7.87 0.53 -0.76 4.34 4.11 -1.94 1.29 114.58 130.03 1wge h GLU 24 Ca -0.10 -0.03 0.20 0.00 0.07 0.00 0.00 59.36 59.49 1wge h GLU 24 Cb 1.04 -0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.03 1wge h GLU 24 CO 0.61 0.35 -0.03 -0.25 0.07 0.00 0.00 179.01 179.77 1wge n ASP 25 N -4.71 -0.13 0.00 3.06 9.92 -1.26 -1.61 116.55 121.82 1wge n ASP 25 Ca 0.24 1.29 0.00 0.00 -0.53 0.00 0.00 54.79 55.80 1wge n ASP 25 Cb 0.74 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1wge n ASP 25 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wge n SER 26 N -5.09 0.62 -3.35 -2.24 7.64 -0.61 -5.03 113.62 105.55 1wge n SER 26 Ca 0.17 -1.09 -0.16 0.00 1.01 0.00 0.00 58.87 58.80 1wge n SER 26 Cb 0.54 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.04 -4.58 -3.96 1.43 1.02 0.44 -4.89 120.64 110.05 1wge n GLU 27 Ca 0.00 0.86 -0.15 0.00 -0.02 0.00 0.00 57.16 57.84 1wge n GLU 27 Cb 0.16 -5.84 -0.15 0.00 -0.02 0.00 0.00 31.44 25.58 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 -3.38 0.17 0.66 2.62 2.01 -1.08 -1.93 115.64 114.71 1wge s THR 28 Ca 0.21 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 1wge s THR 28 Cb -0.03 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1wge s THR 28 CO 0.74 0.09 1.02 -0.31 -0.69 0.00 0.00 174.62 175.47 1wge s TYR 29 N 0.45 3.33 0.05 4.92 1.51 -1.04 -1.30 117.35 125.27 1wge s TYR 29 Ca -0.04 0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1wge s TYR 29 Cb -0.07 -2.92 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 1wge s TYR 29 CO -0.01 -1.01 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.34 1wge s PHE 30 N -3.21 0.49 -0.21 2.71 0.08 -0.29 -2.99 117.98 114.56 1wge s PHE 30 Ca 0.56 -1.02 -0.21 0.00 0.12 0.00 0.00 56.93 56.39 1wge s PHE 30 Cb -0.11 -0.37 0.06 0.00 -0.57 0.00 0.00 43.02 42.03 1wge s PHE 30 CO 0.50 -0.37 0.60 -0.47 -0.10 0.00 0.00 175.22 175.38 1wge s TYR 31 N -3.72 -0.65 -0.30 0.36 5.04 -1.20 -0.99 117.35 115.89 1wge s TYR 31 Ca 0.05 1.56 -0.29 0.00 -2.44 0.00 0.00 57.07 55.96 1wge s TYR 31 Cb 0.06 0.23 -0.02 0.00 0.35 0.00 0.00 41.96 42.59 1wge s TYR 31 CO -0.09 -0.33 1.67 -1.25 -1.34 0.00 0.00 175.55 174.21 1wge s PRO 32 N 0.22 3.55 0.06 4.97 0.04 -1.26 0.29 135.00 142.87 1wge s PRO 32 Ca -0.01 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 1wge s PRO 32 Cb -0.04 -4.11 -0.06 0.00 0.04 0.00 0.00 34.50 30.33 1wge s PRO 32 CO 0.01 -1.59 0.71 0.00 0.04 0.00 0.00 177.00 176.17 1wge n PRO 34 N 2.42 0.49 -0.03 0.00 -0.04 -1.26 -2.61 135.00 133.97 1wge n PRO 34 Ca -0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 1wge n PRO 34 Cb 0.50 -1.06 -0.02 0.00 -0.04 0.00 0.00 33.50 32.88 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 3.24 -1.05 3.77 0.00 0.00 -1.07 -5.08 105.19 104.99 1wge n GLY 36 Ca -0.09 0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.04 6.05 -0.04 1.61 1.11 -1.26 -4.55 116.67 117.54 1wge s ASP 37 Ca 0.00 2.76 -0.26 0.00 0.18 0.00 0.00 52.55 55.24 1wge s ASP 37 Cb 0.00 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 1wge s ASP 37 CO 0.00 -1.04 0.79 0.20 1.18 0.00 0.00 175.17 176.30 1wge s ASN 38 N -0.68 7.11 1.07 0.27 0.01 -1.26 -3.59 114.94 117.87 1wge s ASN 38 Ca 0.60 1.34 -0.19 0.00 -0.71 0.00 0.00 52.86 53.90 1wge s ASN 38 Cb -0.40 -2.46 0.03 0.00 0.41 0.00 0.00 41.25 38.83 1wge s ASN 38 CO 0.51 -0.16 -0.21 0.49 -1.51 0.00 0.00 177.10 176.22 1wge n PHE 39 N 3.82 -1.62 -3.65 2.20 3.72 0.14 -4.69 117.46 117.39 1wge n PHE 39 Ca 0.01 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 -1.79 -0.15 4.37 0.00 -1.06 -3.20 121.76 117.71 1wge s ALA 40 Ca 0.52 2.31 -0.04 0.00 0.00 0.00 0.00 51.96 54.76 1wge s ALA 40 Cb -0.10 -1.40 0.06 0.00 0.00 0.00 0.00 23.12 21.69 1wge s ALA 40 CO 0.67 -0.41 0.14 -1.50 0.00 0.00 0.00 175.76 174.67 1wge s ILE 41 N 1.71 -0.20 0.12 0.00 2.07 -1.16 -3.41 121.20 120.32 1wge s ILE 41 Ca -0.10 0.03 -0.32 0.00 -1.41 0.00 0.00 60.65 58.85 1wge s ILE 41 Cb -0.06 -0.49 -0.12 0.00 0.13 0.00 0.00 42.46 41.92 1wge s ILE 41 CO -0.19 -0.11 1.77 0.35 -1.91 0.00 0.00 174.94 174.85 1wge n THR 42 N 5.30 0.26 -0.33 4.00 -2.24 -1.26 -2.48 114.28 117.54 1wge n THR 42 Ca -0.06 -0.05 0.25 0.00 -2.27 0.00 0.00 64.05 61.93 1wge n THR 42 Cb 0.49 -1.95 0.49 0.00 -2.10 0.00 0.00 70.33 67.26 1wge n THR 42 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1wge h LYS 43 N 7.82 0.14 -0.75 -0.78 3.11 -1.73 0.71 116.57 125.09 1wge h LYS 43 Ca -0.46 -0.01 0.11 0.00 -2.81 0.00 0.00 60.65 57.48 1wge h LYS 43 Cb 1.23 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 32.35 1wge h LYS 43 CO 0.94 0.09 0.36 1.49 -2.81 0.00 0.00 179.45 179.52 1wge h GLU 44 N 0.15 0.57 -0.09 1.90 4.81 -1.88 -1.97 114.58 118.07 1wge h GLU 44 Ca 0.75 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.98 1wge h GLU 44 Cb 1.82 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 31.04 1wge h GLU 44 CO -0.71 0.38 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.40 1wge h ASP 45 N 0.59 -0.33 -0.31 1.04 5.19 0.08 -2.08 116.42 120.60 1wge h ASP 45 Ca 0.38 0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.93 1wge h ASP 45 Cb 0.46 0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.06 1wge h ASP 45 CO -0.31 -0.15 -0.23 -0.07 -3.12 0.00 0.00 179.24 175.36 1wge h LEU 46 N -0.14 -0.76 -2.26 1.55 3.38 -1.28 0.25 115.31 116.05 1wge h LEU 46 Ca 0.07 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.23 1wge h LEU 46 Cb 0.24 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1wge h LEU 46 CO -0.17 -0.26 0.17 -0.33 0.09 0.00 0.00 178.44 177.93 1wge h GLU 47 N -0.20 0.00 -0.06 1.13 5.08 -1.15 0.30 114.58 119.68 1wge h GLU 47 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1wge h GLU 47 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1wge h GLU 47 CO -0.43 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.67 1wge n ASN 48 N -3.81 0.34 -1.01 1.42 3.02 0.86 -4.80 115.26 111.27 1wge n ASN 48 Ca 0.01 -1.93 -0.07 0.00 -0.03 0.00 0.00 54.58 52.56 1wge n ASN 48 Cb 0.29 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.64 0.25 0.00 7.41 0.00 0.11 -4.99 105.19 108.60 1wge n GLY 49 Ca 0.04 -0.53 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.32 0.00 -5.36 1.61 4.39 -1.45 -3.49 114.58 109.97 1wge h GLU 50 Ca -0.16 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.19 1wge h GLU 50 Cb 1.11 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.89 1wge h GLU 50 CO 0.18 0.00 -0.63 -0.25 -1.16 0.00 0.00 179.01 177.15 1wge n ASP 51 N -2.26 -5.35 -3.63 1.42 8.00 -1.26 -4.98 116.55 108.49 1wge n ASP 51 Ca -0.00 -0.50 -0.14 0.00 0.71 0.00 0.00 54.79 54.86 1wge n ASP 51 Cb 0.01 -4.61 -0.13 0.00 -0.02 0.00 0.00 41.12 36.37 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wge s VAL 52 N -3.29 -0.40 -0.17 2.53 1.01 -1.26 -2.79 120.40 116.02 1wge s VAL 52 Ca 0.45 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 1wge s VAL 52 Cb -0.20 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1wge s VAL 52 CO 0.66 0.08 0.03 0.00 0.00 0.00 0.00 175.10 175.86 1wge s ALA 53 N 2.41 3.29 0.09 5.51 0.00 -1.22 -4.86 121.76 126.97 1wge s ALA 53 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1wge s ALA 53 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1wge s ALA 53 CO -0.09 0.20 0.19 0.99 0.00 0.00 0.00 175.76 177.05 1wge s THR 54 N 0.33 5.12 -0.16 0.00 2.01 -1.22 -3.47 115.64 118.25 1wge s THR 54 Ca 0.01 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 1wge s THR 54 Cb -0.13 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1wge s THR 54 CO 0.01 0.08 0.04 0.00 -0.69 0.00 0.00 174.62 174.06 1wge n PRO 56 N 3.28 0.49 0.02 0.00 -0.04 -1.26 0.21 135.00 137.69 1wge n PRO 56 Ca -0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1wge n PRO 56 Cb 0.53 -1.11 -0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.61 0.59 -0.00 3.54 2.88 -1.26 -4.86 113.62 113.89 1wge n SER 57 Ca 0.03 0.08 0.11 0.00 -1.33 0.00 0.00 58.87 57.75 1wge n SER 57 Cb 0.01 -0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 63.13 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 -1.94 -3.96 -4.74 0.00 7.64 0.13 -4.90 113.62 105.84 1wge n SER 59 Ca -0.00 0.08 -0.37 0.00 1.01 0.00 0.00 58.87 59.59 1wge n SER 59 Cb 0.47 -2.97 0.05 0.00 -1.01 0.00 0.00 64.21 60.75 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 -3.14 3.64 -0.13 -3.43 1.43 -1.26 -4.31 118.68 111.47 1wge s LEU 60 Ca 0.00 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1wge s LEU 60 Cb 0.00 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.67 1wge s LEU 60 CO 0.00 -1.80 -0.15 0.27 0.23 0.00 0.00 176.35 174.90 1wge s ILE 61 N -1.45 1.54 0.20 -0.59 -4.36 -1.25 -2.85 121.20 112.43 1wge s ILE 61 Ca 0.80 -0.63 0.11 0.00 -0.26 0.00 0.00 60.65 60.66 1wge s ILE 61 Cb -0.35 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 1wge s ILE 61 CO 0.38 0.45 -0.21 0.27 0.24 0.00 0.00 174.94 176.07 1wge s ILE 62 N 1.28 2.50 -0.27 8.37 -4.36 -1.23 -2.71 121.20 124.79 1wge s ILE 62 Ca 0.00 -2.02 -0.24 0.00 -0.26 0.00 0.00 60.65 58.13 1wge s ILE 62 Cb -0.14 -2.22 -0.00 0.00 1.25 0.00 0.00 42.46 41.35 1wge s ILE 62 CO -0.07 -0.15 0.81 -0.75 0.24 0.00 0.00 174.94 175.02 1wge s LYS 63 N -2.80 4.10 -0.58 0.37 2.47 -1.09 -3.46 119.74 118.76 1wge s LYS 63 Ca 0.22 0.80 -0.21 0.00 -1.56 0.00 0.00 55.97 55.22 1wge s LYS 63 Cb -0.08 -3.67 0.06 0.00 -1.46 0.00 0.00 37.83 32.68 1wge s LYS 63 CO 0.11 -0.57 0.82 0.08 0.16 0.00 0.00 175.35 175.95 1wge s VAL 64 N 2.88 4.57 -0.76 4.02 1.01 -1.12 -1.00 120.40 129.99 1wge s VAL 64 Ca 0.34 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 1wge s VAL 64 Cb -0.15 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.74 1wge s VAL 64 CO 0.09 -1.13 1.46 -0.63 0.00 0.00 0.00 175.10 174.89 1wge s ILE 65 N 3.41 3.66 0.17 2.22 -1.09 0.60 -4.74 121.20 125.44 1wge s ILE 65 Ca 0.21 0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.80 1wge s ILE 65 Cb -0.18 -4.69 -0.05 0.00 -1.58 0.00 0.00 42.46 35.97 1wge s ILE 65 CO 0.12 -1.63 -0.01 -0.72 -1.23 0.00 0.00 174.94 171.47 1wge s TYR 66 N 6.55 1.23 -0.44 3.97 -0.85 -1.26 -1.92 117.35 124.63 1wge s TYR 66 Ca 0.45 -0.97 -0.29 0.00 -0.52 0.00 0.00 57.07 55.74 1wge s TYR 66 Cb -0.08 -0.70 0.02 0.00 0.38 0.00 0.00 41.96 41.59 1wge s TYR 66 CO 0.12 -0.16 1.19 -0.51 -1.52 0.00 0.00 175.55 174.67 1wge s ASP 67 N -3.18 6.61 0.05 -0.18 1.11 -1.26 -4.93 116.67 114.90 1wge s ASP 67 Ca 0.23 0.63 -0.34 0.00 0.18 0.00 0.00 52.55 53.25 1wge s ASP 67 Cb 0.06 -2.55 -0.19 0.00 1.07 0.00 0.00 42.92 41.31 1wge s ASP 67 CO 0.03 -1.24 1.48 0.11 1.18 0.00 0.00 175.17 176.73 1wge h LYS 68 N 9.37 -1.12 -1.78 8.23 1.79 -1.99 -2.43 116.57 128.64 1wge h LYS 68 Ca -0.24 0.08 0.53 0.00 -2.18 0.00 0.00 60.65 58.83 1wge h LYS 68 Cb 1.07 0.25 -0.08 0.00 -1.58 0.00 0.00 32.23 31.89 1wge h LYS 68 CO 1.11 -0.74 1.27 0.38 -1.08 0.00 0.00 179.45 180.39 1wge h ASP 69 N -1.23 0.03 0.03 0.86 3.04 -1.98 0.58 116.42 117.76 1wge h ASP 69 Ca -0.12 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 53.69 1wge h ASP 69 Cb 0.89 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.20 1wge h ASP 69 CO 0.19 -0.03 -0.02 1.56 -2.04 0.00 0.00 179.24 178.91 1wge h GLN 70 N 0.01 -0.05 -0.03 4.15 1.08 -1.76 -2.41 115.11 116.10 1wge h GLN 70 Ca 0.87 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 58.07 1wge h GLN 70 Cb 3.42 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 30.86 1wge h GLN 70 CO -0.06 0.62 0.01 0.74 -0.95 0.00 0.00 178.83 179.19 1wge h PHE 71 N -0.81 0.05 0.35 2.96 -1.00 0.42 -3.30 116.94 115.61 1wge h PHE 71 Ca -0.00 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1wge h PHE 71 Cb 0.69 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 1wge h PHE 71 CO 0.17 0.23 -0.26 0.52 -1.61 0.00 0.00 178.31 177.36 1wge h MET 72 N -0.15 -0.56 -6.97 1.51 2.86 -0.61 -3.43 114.93 107.59 1wge h MET 72 Ca 0.01 0.04 -0.54 0.00 -2.06 0.00 0.00 59.70 57.15 1wge h MET 72 Cb 0.21 0.13 0.10 0.00 0.06 0.00 0.00 31.60 32.10 1wge h MET 72 CO -0.00 -0.37 0.69 0.00 1.06 0.00 0.00 176.91 178.28 1wge n GLY 74 N 0.59 -0.87 2.32 0.00 0.00 -1.26 -4.77 105.19 101.20 1wge n GLY 74 Ca 0.04 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 1wge n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wge n GLU 75 N 0.00 1.92 -3.75 1.61 -0.58 -1.26 -4.99 120.64 113.59 1wge n GLU 75 Ca 0.00 -3.44 -0.24 0.00 -0.42 0.00 0.00 57.16 53.06 1wge n GLU 75 Cb 0.00 -1.54 -0.07 0.00 -0.57 0.00 0.00 31.44 29.27 1wge n GLU 75 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1wge n THR 76 N -0.50 -0.51 -4.03 2.62 -1.04 -1.26 -4.88 114.28 104.68 1wge n THR 76 Ca 0.16 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.57 1wge n THR 76 Cb 0.88 -0.61 -0.06 0.00 -1.82 0.00 0.00 70.33 68.72 1wge n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wge s VAL 77 N -3.60 5.05 0.00 12.58 0.11 -1.26 -5.00 120.40 128.28 1wge s VAL 77 Ca 0.16 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1wge s VAL 77 Cb -0.09 -3.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 1wge s VAL 77 CO 0.71 0.43 0.00 -1.20 -3.33 0.00 0.00 175.10 171.71 1wge n SER 78 N 1.39 1.89 0.00 3.54 7.64 -1.26 -5.16 113.62 121.65 1wge n SER 78 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1wge n SER 78 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wge n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wge n GLY 79 N 3.03 0.57 1.45 0.23 0.00 -1.26 -5.04 105.19 104.18 1wge n GLY 79 Ca 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 1wge n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wge n PRO 80 N 0.54 -1.90 -1.29 1.61 -0.04 -1.26 -4.90 135.00 127.76 1wge n PRO 80 Ca 0.00 -0.72 -0.44 0.00 -0.04 0.00 0.00 63.50 62.29 1wge n PRO 80 Cb 0.00 -0.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1wge n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wge n SER 81 N -3.78 -1.18 -0.00 3.54 2.88 -1.26 -4.92 113.62 108.91 1wge n SER 81 Ca 0.06 1.03 -0.03 0.00 -1.33 0.00 0.00 58.87 58.61 1wge n SER 81 Cb 0.24 -0.87 -0.01 0.00 -0.75 0.00 0.00 64.21 62.82 1wge n SER 81 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wge n SER 82 N 1.85 0.61 0.00 -3.46 7.64 -1.26 -5.26 113.62 113.74 1wge n SER 82 Ca 0.16 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1wge n SER 82 Cb 0.23 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64