#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 6.58 0.35 1.61 0.15 -1.26 -5.06 113.70 116.08 1wge s SER 2 Ca 0.00 0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.32 1wge s SER 2 Cb 0.00 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1wge s SER 2 CO 0.00 -0.49 0.49 -0.44 1.20 0.00 0.00 173.24 174.00 1wge s SER 3 N 1.57 5.88 0.07 5.45 0.01 -1.26 -5.13 113.70 120.29 1wge s SER 3 Ca 0.28 -0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.24 1wge s SER 3 Cb -0.15 -1.10 -0.02 0.00 0.21 0.00 0.00 66.02 64.96 1wge s SER 3 CO 0.11 -0.50 0.08 -0.83 0.41 0.00 0.00 173.24 172.50 1wge s GLY 4 N -4.21 0.30 -0.19 3.44 0.00 -1.26 -5.09 107.32 100.32 1wge s GLY 4 Ca 0.47 -0.94 -0.15 0.00 0.00 0.00 0.00 44.72 44.10 1wge s GLY 4 CO 0.31 -1.08 -0.33 1.44 0.00 0.00 0.00 173.10 173.45 1wge n SER 5 N 0.02 1.85 -4.33 1.64 7.64 -1.26 -4.93 113.62 114.26 1wge n SER 5 Ca -0.14 0.31 -0.54 0.00 1.01 0.00 0.00 58.87 59.51 1wge n SER 5 Cb 0.62 -0.73 -0.13 0.00 -1.01 0.00 0.00 64.21 62.97 1wge n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wge n SER 6 N -4.30 0.70 -4.82 6.43 2.88 -1.26 -4.87 113.62 108.38 1wge n SER 6 Ca -0.27 0.53 -0.34 0.00 -1.33 0.00 0.00 58.87 57.46 1wge n SER 6 Cb 0.62 -0.93 -0.07 0.00 -0.75 0.00 0.00 64.21 63.09 1wge n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wge s GLY 7 N 6.89 2.46 -0.06 0.46 0.00 -1.26 -5.07 107.32 110.74 1wge s GLY 7 Ca 1.24 0.34 0.02 0.00 0.00 0.00 0.00 44.72 46.32 1wge s GLY 7 CO 0.61 0.64 -0.11 -0.29 0.00 0.00 0.00 173.10 173.95 1wge s MET 8 N -2.89 1.49 -0.62 2.90 -2.45 -1.26 -5.07 119.30 111.39 1wge s MET 8 Ca 0.58 -0.35 -0.26 0.00 -1.25 0.00 0.00 55.69 54.41 1wge s MET 8 Cb -0.11 -1.26 -0.10 0.00 1.25 0.00 0.00 34.83 34.60 1wge s MET 8 CO 0.16 0.01 2.42 0.00 1.05 0.00 0.00 175.02 178.66 1wge n ALA 9 N 3.83 0.58 -3.89 4.11 0.00 -1.26 -4.89 120.51 118.98 1wge n ALA 9 Ca -0.23 -1.15 -0.33 0.00 0.00 0.00 0.00 53.44 51.73 1wge n ALA 9 Cb 0.52 -3.25 -0.14 0.00 0.00 0.00 0.00 19.45 16.58 1wge n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wge s VAL 10 N 13.42 2.69 0.21 0.00 0.11 -1.26 -5.10 120.40 130.47 1wge s VAL 10 Ca 0.96 -2.04 0.05 0.00 -2.93 0.00 0.00 61.98 58.02 1wge s VAL 10 Cb -0.16 -2.83 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 1wge s VAL 10 CO 0.18 -0.50 0.22 -0.36 -3.33 0.00 0.00 175.10 171.31 1wge s PHE 11 N 1.05 3.23 -0.02 1.54 0.40 -1.26 -4.73 117.98 118.20 1wge s PHE 11 Ca 0.06 -0.04 -0.22 0.00 -0.60 0.00 0.00 56.93 56.13 1wge s PHE 11 Cb -0.20 -1.50 -0.23 0.00 0.51 0.00 0.00 43.02 41.60 1wge s PHE 11 CO -0.05 0.51 1.09 1.25 0.70 0.00 0.00 175.22 178.71 1wge h HIS 12 N 1.80 0.42 -1.27 0.36 -0.00 -1.93 -3.49 115.15 111.04 1wge h HIS 12 Ca -0.49 -0.22 0.18 0.00 -0.00 0.00 0.00 60.37 59.84 1wge h HIS 12 Cb 1.22 -0.05 -0.25 0.00 -0.00 0.00 0.00 27.41 28.32 1wge h HIS 12 CO 0.54 1.01 0.79 -0.51 -0.00 0.00 0.00 177.93 179.75 1wge s ASP 13 N -6.47 -0.17 -0.42 3.26 1.01 -1.26 -5.11 116.67 107.50 1wge s ASP 13 Ca -0.15 0.19 -0.23 0.00 0.71 0.00 0.00 52.55 53.07 1wge s ASP 13 Cb 0.02 0.14 0.02 0.00 1.01 0.00 0.00 42.92 44.12 1wge s ASP 13 CO 0.78 -0.16 0.78 -1.61 0.21 0.00 0.00 175.17 175.17 1wge s GLU 14 N -1.08 3.54 -0.01 8.23 2.02 -1.26 -3.41 118.70 126.72 1wge s GLU 14 Ca 0.05 0.05 0.07 0.00 0.02 0.00 0.00 54.97 55.16 1wge s GLU 14 Cb -0.01 -3.89 -0.02 0.00 0.10 0.00 0.00 34.13 30.31 1wge s GLU 14 CO -0.04 -1.02 -0.23 0.08 0.02 0.00 0.00 175.26 174.07 1wge s VAL 15 N 3.23 2.33 0.13 2.63 1.01 -0.33 -4.93 120.40 124.46 1wge s VAL 15 Ca 0.30 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 1wge s VAL 15 Cb -0.12 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.33 1wge s VAL 15 CO 0.21 0.54 0.90 -1.61 0.00 0.00 0.00 175.10 175.13 1wge s GLU 16 N -0.78 4.67 0.48 2.72 2.02 -1.26 0.06 118.70 126.61 1wge s GLU 16 Ca 0.11 1.35 0.31 0.00 0.02 0.00 0.00 54.97 56.76 1wge s GLU 16 Cb -0.10 -3.34 1.41 0.00 0.10 0.00 0.00 34.13 32.20 1wge s GLU 16 CO 0.00 0.32 1.72 0.97 0.02 0.00 0.00 175.26 178.30 1wge h ILE 17 N 3.81 0.32 -1.16 -1.63 6.09 -1.64 0.32 117.51 123.61 1wge h ILE 17 Ca -0.44 -0.05 0.33 0.00 -1.37 0.00 0.00 64.86 63.33 1wge h ILE 17 Cb 1.21 0.17 -0.09 0.00 0.47 0.00 0.00 36.82 38.58 1wge h ILE 17 CO 0.70 0.02 0.78 -0.33 -3.07 0.00 0.00 178.15 176.25 1wge h GLU 18 N 0.14 0.21 0.04 2.19 5.08 -1.92 0.75 114.58 121.07 1wge h GLU 18 Ca 0.69 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.81 1wge h GLU 18 Cb 2.31 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.50 1wge h GLU 18 CO -0.20 0.14 -1.03 0.22 -1.00 0.00 0.00 179.01 177.14 1wge h ASP 19 N 0.22 0.18 -4.10 1.42 1.82 -0.75 -3.46 116.42 111.75 1wge h ASP 19 Ca 0.65 -0.18 -0.52 0.00 -0.39 0.00 0.00 57.03 56.58 1wge h ASP 19 Cb 1.99 -0.06 0.20 0.00 0.68 0.00 0.00 39.33 42.14 1wge h ASP 19 CO -0.24 1.09 0.08 0.49 -1.61 0.00 0.00 179.24 179.05 1wge n PHE 20 N -3.49 0.45 -3.73 0.28 3.01 0.26 -4.98 117.46 109.26 1wge n PHE 20 Ca -0.03 0.37 -0.38 0.00 1.01 0.00 0.00 57.45 58.42 1wge n PHE 20 Cb 0.92 -1.97 -0.11 0.00 -0.01 0.00 0.00 39.48 38.31 1wge n PHE 20 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1wge s GLN 21 N -4.41 2.40 -0.01 -1.08 0.74 -0.71 -4.86 119.66 111.73 1wge s GLN 21 Ca 0.65 -1.50 -0.30 0.00 0.05 0.00 0.00 55.36 54.27 1wge s GLN 21 Cb -0.23 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.27 1wge s GLN 21 CO 0.59 -0.89 1.06 -0.47 -0.55 0.00 0.00 175.29 175.03 1wge s TYR 22 N 1.31 3.54 -0.38 1.67 5.04 -1.26 -1.75 117.35 125.51 1wge s TYR 22 Ca 0.02 1.54 -0.01 0.00 -2.44 0.00 0.00 57.07 56.18 1wge s TYR 22 Cb -0.22 -3.23 0.10 0.00 0.35 0.00 0.00 41.96 38.96 1wge s TYR 22 CO -0.00 -0.47 0.15 0.34 -1.34 0.00 0.00 175.55 174.22 1wge s ASP 23 N 1.08 5.10 0.51 4.32 2.15 -0.71 -4.96 116.67 124.17 1wge s ASP 23 Ca 0.53 -1.97 0.30 0.00 0.43 0.00 0.00 52.55 51.84 1wge s ASP 23 Cb -0.23 -1.77 1.42 0.00 -0.30 0.00 0.00 42.92 42.04 1wge s ASP 23 CO 0.26 -0.47 1.84 1.05 -0.17 0.00 0.00 175.17 177.68 1wge h GLU 24 N 7.94 0.09 -0.71 4.34 4.11 -1.95 0.45 114.58 128.86 1wge h GLU 24 Ca -0.12 -0.01 0.12 0.00 0.07 0.00 0.00 59.36 59.42 1wge h GLU 24 Cb 1.04 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.15 1wge h GLU 24 CO 0.64 0.06 -0.36 0.22 0.07 0.00 0.00 179.01 179.64 1wge h ASP 25 N 0.09 -1.27 0.00 3.06 1.82 -1.95 -2.87 116.42 115.30 1wge h ASP 25 Ca 0.50 0.25 -0.05 0.00 -0.39 0.00 0.00 57.03 57.35 1wge h ASP 25 Cb 1.83 0.64 -0.11 0.00 0.68 0.00 0.00 39.33 42.37 1wge h ASP 25 CO -0.06 -0.30 -0.57 -0.24 -1.61 0.00 0.00 179.24 176.45 1wge n SER 26 N -5.44 1.44 -3.89 2.28 2.88 -0.60 -5.00 113.62 105.29 1wge n SER 26 Ca 0.06 -3.05 -0.27 0.00 -1.33 0.00 0.00 58.87 54.28 1wge n SER 26 Cb 0.37 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wge n GLU 27 N -0.60 -0.78 -4.27 -1.46 1.02 0.15 -4.84 120.64 109.85 1wge n GLU 27 Ca 0.13 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 57.10 1wge n GLU 27 Cb 0.81 -2.28 -0.15 0.00 -0.02 0.00 0.00 31.44 29.80 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 -3.99 0.60 0.59 2.62 2.01 -1.14 -1.89 115.64 114.44 1wge s THR 28 Ca 0.12 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 1wge s THR 28 Cb -0.07 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1wge s THR 28 CO 0.73 0.19 0.91 -0.31 -0.69 0.00 0.00 174.62 175.45 1wge s TYR 29 N 0.13 3.31 0.07 4.92 1.51 -1.04 -1.74 117.35 124.51 1wge s TYR 29 Ca -0.01 0.71 -0.02 0.00 -1.01 0.00 0.00 57.07 56.74 1wge s TYR 29 Cb -0.06 -2.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.04 1wge s TYR 29 CO -0.00 -0.79 0.02 -0.06 -1.11 0.00 0.00 175.55 173.61 1wge s PHE 30 N -3.00 0.53 -0.24 2.71 0.08 -0.72 -2.97 117.98 114.38 1wge s PHE 30 Ca 0.54 -1.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.30 1wge s PHE 30 Cb -0.11 -0.36 0.07 0.00 -0.57 0.00 0.00 43.02 42.06 1wge s PHE 30 CO 0.46 -0.43 0.73 -0.47 -0.10 0.00 0.00 175.22 175.40 1wge s TYR 31 N -3.94 -0.75 -0.27 0.36 5.04 -1.16 -1.73 117.35 114.89 1wge s TYR 31 Ca 0.10 1.77 -0.29 0.00 -2.44 0.00 0.00 57.07 56.22 1wge s TYR 31 Cb 0.07 0.30 -0.02 0.00 0.35 0.00 0.00 41.96 42.66 1wge s TYR 31 CO -0.08 -0.40 1.65 -1.25 -1.34 0.00 0.00 175.55 174.12 1wge s PRO 32 N 0.14 3.64 0.06 4.97 0.04 -1.26 0.88 135.00 143.47 1wge s PRO 32 Ca -0.01 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 1wge s PRO 32 Cb -0.04 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 1wge s PRO 32 CO 0.02 -1.49 0.67 0.00 0.04 0.00 0.00 177.00 176.24 1wge n PRO 34 N 2.31 0.49 -0.00 0.00 -0.04 -1.26 -2.61 135.00 133.88 1wge n PRO 34 Ca -0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.39 1wge n PRO 34 Cb 0.50 -1.13 -0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 3.45 -1.38 3.76 0.00 0.00 -1.07 -5.07 105.19 104.87 1wge n GLY 36 Ca -0.02 0.48 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.86 5.55 -0.04 1.61 1.11 -1.26 -4.52 116.67 116.25 1wge s ASP 37 Ca 0.00 2.61 -0.24 0.00 0.18 0.00 0.00 52.55 55.10 1wge s ASP 37 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 1wge s ASP 37 CO 0.00 -1.37 0.72 0.20 1.18 0.00 0.00 175.17 175.91 1wge s ASN 38 N -1.10 7.04 1.04 0.27 0.01 -1.26 -3.41 114.94 117.53 1wge s ASN 38 Ca 0.69 1.25 -0.18 0.00 -0.71 0.00 0.00 52.86 53.91 1wge s ASN 38 Cb -0.36 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 38.87 1wge s ASN 38 CO 0.43 -0.10 -0.24 0.49 -1.51 0.00 0.00 177.10 176.17 1wge n PHE 39 N 3.62 -1.89 -3.66 2.20 3.72 0.25 -4.65 117.46 117.05 1wge n PHE 39 Ca -0.01 0.23 -0.08 0.00 -0.05 0.00 0.00 57.45 57.54 1wge n PHE 39 Cb 0.51 -1.58 -0.08 0.00 -0.94 0.00 0.00 39.48 37.39 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 -1.56 -0.20 4.37 0.00 -1.13 -2.99 121.76 118.04 1wge s ALA 40 Ca 0.51 2.06 -0.04 0.00 0.00 0.00 0.00 51.96 54.49 1wge s ALA 40 Cb -0.12 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 21.83 1wge s ALA 40 CO 0.69 -0.38 0.20 -1.50 0.00 0.00 0.00 175.76 174.77 1wge s ILE 41 N 1.65 -0.28 0.22 0.00 2.07 -1.16 -3.34 121.20 120.35 1wge s ILE 41 Ca -0.09 -0.12 -0.32 0.00 -1.41 0.00 0.00 60.65 58.71 1wge s ILE 41 Cb -0.07 -0.65 -0.13 0.00 0.13 0.00 0.00 42.46 41.74 1wge s ILE 41 CO -0.17 -0.21 1.64 0.35 -1.91 0.00 0.00 174.94 174.63 1wge n THR 42 N 5.31 0.28 -0.35 4.00 -2.24 -1.26 -2.50 114.28 117.52 1wge n THR 42 Ca -0.06 -0.07 0.26 0.00 -2.27 0.00 0.00 64.05 61.92 1wge n THR 42 Cb 0.49 -1.82 0.51 0.00 -2.10 0.00 0.00 70.33 67.42 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 5.95 0.26 0.01 -0.78 3.11 -1.70 0.77 116.57 124.19 1wge h LYS 43 Ca -0.44 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.41 1wge h LYS 43 Cb 1.23 -0.06 -0.05 0.00 -1.00 0.00 0.00 32.23 32.35 1wge h LYS 43 CO 0.89 0.17 -0.33 1.49 -2.81 0.00 0.00 179.45 178.86 1wge h GLU 44 N 0.26 -0.47 -0.53 1.90 4.81 -1.88 -2.33 114.58 116.34 1wge h GLU 44 Ca 0.75 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 60.11 1wge h GLU 44 Cb 1.85 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 31.23 1wge h GLU 44 CO -0.58 -0.31 -0.26 -0.44 -0.73 0.00 0.00 179.01 176.69 1wge h ASP 45 N -0.49 -0.89 -0.32 1.04 3.32 -1.20 -1.14 116.42 116.73 1wge h ASP 45 Ca 0.06 0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.37 1wge h ASP 45 Cb 0.57 0.47 -0.08 0.00 0.22 0.00 0.00 39.33 40.51 1wge h ASP 45 CO -0.26 -0.27 -0.37 -0.07 -1.72 0.00 0.00 179.24 176.55 1wge h LEU 46 N -0.13 -1.20 -2.14 1.55 3.38 -1.33 0.34 115.31 115.78 1wge h LEU 46 Ca 0.23 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.46 1wge h LEU 46 Cb 0.51 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1wge h LEU 46 CO -0.61 -0.35 0.22 -0.33 0.09 0.00 0.00 178.44 177.46 1wge h GLU 47 N -0.33 0.00 0.00 1.13 5.08 -0.78 0.30 114.58 119.98 1wge h GLU 47 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1wge h GLU 47 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wge h GLU 47 CO -0.50 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.60 1wge n ASN 48 N -4.03 0.00 -1.21 1.42 3.02 0.12 -4.76 115.26 109.81 1wge n ASN 48 Ca 0.03 -1.93 -0.08 0.00 -0.03 0.00 0.00 54.58 52.56 1wge n ASN 48 Cb 0.36 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.50 0.18 0.06 7.41 0.00 0.11 -4.98 105.19 108.47 1wge n GLY 49 Ca 0.01 -0.46 -0.03 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 -0.41 0.00 -6.29 1.61 4.39 -1.42 -3.49 114.58 108.97 1wge h GLU 50 Ca -0.20 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.04 1wge h GLU 50 Cb 1.14 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1wge h GLU 50 CO 0.22 0.05 -0.82 -0.40 -1.16 0.00 0.00 179.01 176.90 1wge n ASP 51 N -4.68 -2.38 -3.67 1.42 5.75 -1.26 -4.96 116.55 106.77 1wge n ASP 51 Ca -0.05 -0.86 -0.12 0.00 -0.01 0.00 0.00 54.79 53.75 1wge n ASP 51 Cb 0.16 -3.71 -0.12 0.00 -1.03 0.00 0.00 41.12 36.42 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 -3.57 -0.44 -0.20 2.12 1.01 -1.26 -2.84 120.40 115.21 1wge s VAL 52 Ca 0.28 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 1wge s VAL 52 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1wge s VAL 52 CO 0.84 0.10 0.06 0.00 0.00 0.00 0.00 175.10 176.10 1wge s ALA 53 N 2.39 3.30 -0.05 5.51 0.00 -1.20 -4.84 121.76 126.87 1wge s ALA 53 Ca -0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1wge s ALA 53 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1wge s ALA 53 CO -0.10 -0.04 0.15 0.99 0.00 0.00 0.00 175.76 176.77 1wge s THR 54 N 0.79 5.37 -0.18 0.00 2.01 -1.21 -3.41 115.64 119.00 1wge s THR 54 Ca 0.03 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 1wge s THR 54 Cb -0.14 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1wge s THR 54 CO 0.02 0.44 0.17 0.00 -0.69 0.00 0.00 174.62 174.56 1wge n PRO 56 N 3.41 0.49 0.00 0.00 -0.04 -1.26 -0.23 135.00 137.37 1wge n PRO 56 Ca -0.15 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1wge n PRO 56 Cb 0.52 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.64 0.17 0.05 3.54 2.88 -1.26 -4.86 113.62 113.50 1wge n SER 57 Ca 0.03 0.02 0.10 0.00 -1.33 0.00 0.00 58.87 57.70 1wge n SER 57 Cb 0.02 -0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 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 -2.53 -2.76 -4.75 0.00 2.88 0.68 -4.92 113.62 102.22 1wge n SER 59 Ca -0.03 0.05 -0.38 0.00 -1.33 0.00 0.00 58.87 57.18 1wge n SER 59 Cb 0.58 -1.61 0.03 0.00 -0.75 0.00 0.00 64.21 62.47 1wge n SER 59 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wge s LEU 60 N -1.39 3.82 -0.13 2.46 1.43 -1.26 -4.36 118.68 119.25 1wge s LEU 60 Ca 0.00 2.60 0.01 0.00 -1.03 0.00 0.00 54.13 55.72 1wge s LEU 60 Cb 0.00 -4.35 0.02 0.00 0.03 0.00 0.00 46.19 41.88 1wge s LEU 60 CO 0.00 -1.50 -0.16 0.27 0.23 0.00 0.00 176.35 175.20 1wge s ILE 61 N -1.40 1.62 0.28 -0.59 -4.36 -1.25 -2.72 121.20 112.77 1wge s ILE 61 Ca 0.72 -0.69 0.12 0.00 -0.26 0.00 0.00 60.65 60.54 1wge s ILE 61 Cb -0.36 -1.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 1wge s ILE 61 CO 0.42 0.47 -0.17 0.27 0.24 0.00 0.00 174.94 176.16 1wge s ILE 62 N 1.21 2.62 -0.30 8.37 -4.36 -1.22 -2.96 121.20 124.56 1wge s ILE 62 Ca -0.01 -2.33 -0.19 0.00 -0.26 0.00 0.00 60.65 57.86 1wge s ILE 62 Cb -0.14 -2.37 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 1wge s ILE 62 CO -0.06 -0.39 0.57 -0.75 0.24 0.00 0.00 174.94 174.55 1wge s LYS 63 N -3.51 3.89 -0.58 0.37 2.47 -1.22 -3.22 119.74 117.94 1wge s LYS 63 Ca 0.30 0.21 -0.23 0.00 -1.56 0.00 0.00 55.97 54.69 1wge s LYS 63 Cb -0.05 -3.72 0.05 0.00 -1.46 0.00 0.00 37.83 32.65 1wge s LYS 63 CO 0.16 -0.52 0.90 0.08 0.16 0.00 0.00 175.35 176.13 1wge s VAL 64 N 2.47 4.44 -0.73 4.02 1.01 -1.13 -1.19 120.40 129.29 1wge s VAL 64 Ca 0.23 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.92 1wge s VAL 64 Cb -0.15 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.70 1wge s VAL 64 CO 0.11 -1.17 1.46 -0.63 0.00 0.00 0.00 175.10 174.87 1wge s ILE 65 N 3.80 3.63 0.20 2.22 -1.09 0.11 -4.72 121.20 125.35 1wge s ILE 65 Ca 0.26 0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 1wge s ILE 65 Cb -0.15 -4.65 -0.05 0.00 -1.58 0.00 0.00 42.46 36.03 1wge s ILE 65 CO 0.16 -1.60 -0.00 -0.72 -1.23 0.00 0.00 174.94 171.54 1wge s TYR 66 N 6.66 1.38 -0.59 3.97 -0.85 -1.26 -1.80 117.35 124.86 1wge s TYR 66 Ca 0.45 -0.96 -0.28 0.00 -0.52 0.00 0.00 57.07 55.75 1wge s TYR 66 Cb -0.09 -0.79 0.02 0.00 0.38 0.00 0.00 41.96 41.49 1wge s TYR 66 CO 0.14 -0.12 1.28 -0.51 -1.52 0.00 0.00 175.55 174.83 1wge s ASP 67 N -3.24 6.31 0.09 -0.18 1.11 -1.26 -4.91 116.67 114.59 1wge s ASP 67 Ca 0.26 0.12 -0.35 0.00 0.18 0.00 0.00 52.55 52.76 1wge s ASP 67 Cb 0.06 -2.55 -0.17 0.00 1.07 0.00 0.00 42.92 41.33 1wge s ASP 67 CO 0.06 -1.59 1.57 0.11 1.18 0.00 0.00 175.17 176.50 1wge h LYS 68 N 10.12 -0.94 -1.40 8.23 1.79 -1.99 -1.55 116.57 130.83 1wge h LYS 68 Ca -0.26 0.06 0.48 0.00 -2.18 0.00 0.00 60.65 58.76 1wge h LYS 68 Cb 1.07 0.21 -0.14 0.00 -1.58 0.00 0.00 32.23 31.79 1wge h LYS 68 CO 1.19 -0.63 0.90 -0.44 -1.08 0.00 0.00 179.45 179.40 1wge h ASP 69 N -0.98 0.19 0.26 0.86 3.32 -1.97 0.62 116.42 118.72 1wge h ASP 69 Ca -0.06 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1wge h ASP 69 Cb 0.86 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1wge h ASP 69 CO -0.08 -0.26 -0.13 1.56 -1.72 0.00 0.00 179.24 178.61 1wge h GLN 70 N 0.00 -0.34 0.12 3.56 4.20 -1.61 -0.67 115.11 120.37 1wge h GLN 70 Ca 0.89 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.62 1wge h GLN 70 Cb 2.88 0.08 0.00 0.00 0.30 0.00 0.00 27.48 30.74 1wge h GLN 70 CO -0.46 0.02 -0.06 0.74 -0.67 0.00 0.00 178.83 178.39 1wge h PHE 71 N -0.84 -0.15 0.07 2.96 -1.00 0.21 -3.19 116.94 115.00 1wge h PHE 71 Ca -0.04 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.76 1wge h PHE 71 Cb 0.51 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1wge h PHE 71 CO 0.05 0.05 -0.18 0.52 -1.61 0.00 0.00 178.31 177.14 1wge h MET 72 N -0.33 -0.31 -5.79 1.51 2.86 -0.12 -3.36 114.93 109.39 1wge h MET 72 Ca -0.02 0.02 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 1wge h MET 72 Cb 0.27 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1wge h MET 72 CO 0.03 -0.21 0.90 0.00 1.06 0.00 0.00 176.91 178.69 1wge n GLY 74 N 6.56 -1.20 3.01 0.00 0.00 -1.26 -4.81 105.19 107.50 1wge n GLY 74 Ca 0.35 0.54 -0.32 0.00 0.00 0.00 0.00 46.02 46.58 1wge n GLY 74 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wge s GLU 75 N 0.00 1.98 -0.26 1.61 -6.30 -1.26 -5.05 118.70 109.42 1wge s GLU 75 Ca 0.00 -2.35 -0.25 0.00 -2.50 0.00 0.00 54.97 49.86 1wge s GLU 75 Cb 0.00 -3.41 0.07 0.00 0.00 0.00 0.00 34.13 30.80 1wge s GLU 75 CO 0.00 -1.08 0.74 0.99 0.02 0.00 0.00 175.26 175.93 1wge s THR 76 N 0.17 0.00 -0.06 -1.70 2.01 -1.26 -5.17 115.64 109.64 1wge s THR 76 Ca 0.15 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.19 1wge s THR 76 Cb -0.23 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1wge s THR 76 CO -0.03 0.00 -0.19 0.68 -0.69 0.00 0.00 174.62 174.39 1wge s VAL 77 N 0.27 2.60 -0.17 3.82 -7.23 -1.26 -5.12 120.40 113.32 1wge s VAL 77 Ca -0.00 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1wge s VAL 77 Cb -0.05 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.92 1wge s VAL 77 CO 0.01 0.57 -0.16 -0.55 -0.31 0.00 0.00 175.10 174.67 1wge s SER 78 N -0.40 2.97 0.00 4.85 0.15 -1.26 -5.05 113.70 114.95 1wge s SER 78 Ca 0.04 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1wge s SER 78 Cb -0.12 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1wge s SER 78 CO 0.02 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1wge n GLY 79 N 4.70 0.03 3.66 9.45 0.00 -1.26 -5.14 105.19 116.63 1wge n GLY 79 Ca -0.18 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1wge n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wge s PRO 80 N -2.00 -0.01 -1.24 1.61 0.04 -1.26 -4.92 135.00 127.22 1wge s PRO 80 Ca 0.00 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.23 1wge s PRO 80 Cb 0.00 -1.70 0.10 0.00 0.04 0.00 0.00 34.50 32.94 1wge s PRO 80 CO 0.00 -2.99 1.61 -1.54 0.04 0.00 0.00 177.00 174.11 1wge s SER 81 N -3.55 6.88 -0.60 6.66 1.04 -1.26 -4.78 113.70 118.09 1wge s SER 81 Ca 0.67 -2.52 0.00 0.00 0.48 0.00 0.00 55.95 54.58 1wge s SER 81 Cb -0.17 -2.52 0.44 0.00 0.10 0.00 0.00 66.02 63.87 1wge s SER 81 CO 0.57 -1.07 1.80 -1.20 0.98 0.00 0.00 173.24 174.32 1wge n SER 82 N 7.55 6.91 -0.78 7.02 7.64 -1.26 -5.31 113.62 135.39 1wge n SER 82 Ca 0.43 -3.78 0.10 0.00 1.01 0.00 0.00 58.87 56.63 1wge n SER 82 Cb 0.46 -0.82 0.08 0.00 -1.01 0.00 0.00 64.21 62.92 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64