#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 4.02 0.26 1.61 0.01 -1.26 -5.14 113.70 113.20 1wge s SER 2 Ca 0.00 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.64 1wge s SER 2 Cb 0.00 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.61 1wge s SER 2 CO 0.00 0.11 0.41 -0.44 0.41 0.00 0.00 173.24 173.74 1wge s SER 3 N -2.72 6.33 -0.32 2.44 0.01 -1.26 -5.09 113.70 113.09 1wge s SER 3 Ca 0.23 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.72 1wge s SER 3 Cb -0.09 -1.94 0.06 0.00 0.21 0.00 0.00 66.02 64.27 1wge s SER 3 CO 0.13 -0.12 0.04 -0.83 0.41 0.00 0.00 173.24 172.87 1wge s GLY 4 N -3.80 1.80 0.20 3.44 0.00 -1.26 -5.08 107.32 102.61 1wge s GLY 4 Ca 0.36 -1.92 -0.31 0.00 0.00 0.00 0.00 44.72 42.86 1wge s GLY 4 CO 0.31 0.76 1.48 -0.45 0.00 0.00 0.00 173.10 175.20 1wge s SER 5 N 1.33 6.65 -0.23 1.64 0.15 -1.26 -5.00 113.70 116.99 1wge s SER 5 Ca -0.02 2.59 -0.02 0.00 0.70 0.00 0.00 55.95 59.20 1wge s SER 5 Cb -0.20 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 1wge s SER 5 CO -0.02 -0.74 -0.07 -0.55 1.20 0.00 0.00 173.24 173.06 1wge s SER 6 N 0.77 4.14 0.10 5.45 0.15 -1.26 -5.11 113.70 117.93 1wge s SER 6 Ca 0.64 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 56.63 1wge s SER 6 Cb -0.42 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 1wge s SER 6 CO 0.37 -0.07 0.23 -0.83 1.20 0.00 0.00 173.24 174.13 1wge s GLY 7 N 1.38 2.00 -0.28 9.45 0.00 -1.26 -5.11 107.32 113.50 1wge s GLY 7 Ca 0.03 -0.93 -0.20 0.00 0.00 0.00 0.00 44.72 43.62 1wge s GLY 7 CO -0.05 -0.91 0.71 -0.29 0.00 0.00 0.00 173.10 172.56 1wge s MET 8 N -2.78 0.76 -0.60 2.90 -2.45 -1.26 -5.11 119.30 110.77 1wge s MET 8 Ca 0.34 1.11 -0.27 0.00 -1.25 0.00 0.00 55.69 55.63 1wge s MET 8 Cb -0.12 0.27 -0.02 0.00 1.25 0.00 0.00 34.83 36.20 1wge s MET 8 CO 0.28 -0.12 1.87 0.00 1.05 0.00 0.00 175.02 178.09 1wge s ALA 9 N 1.03 2.18 -0.32 4.11 0.00 -1.26 -4.94 121.76 122.57 1wge s ALA 9 Ca -0.05 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.33 1wge s ALA 9 Cb -0.05 -4.29 0.08 0.00 0.00 0.00 0.00 23.12 18.86 1wge s ALA 9 CO -0.10 -3.86 0.01 0.54 0.00 0.00 0.00 175.76 172.35 1wge s VAL 10 N 9.07 2.42 0.13 0.00 0.11 -1.26 -5.10 120.40 125.77 1wge s VAL 10 Ca 0.68 -2.01 0.05 0.00 -2.93 0.00 0.00 61.98 57.78 1wge s VAL 10 Cb -0.13 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.05 1wge s VAL 10 CO 0.21 -0.39 0.03 -0.36 -3.33 0.00 0.00 175.10 171.27 1wge s PHE 11 N 1.02 2.99 0.02 1.54 0.40 -1.26 -4.60 117.98 118.10 1wge s PHE 11 Ca 0.03 -0.05 -0.17 0.00 -0.60 0.00 0.00 56.93 56.14 1wge s PHE 11 Cb -0.20 -1.49 -0.29 0.00 0.51 0.00 0.00 43.02 41.55 1wge s PHE 11 CO -0.06 0.50 1.05 1.25 0.70 0.00 0.00 175.22 178.66 1wge h HIS 12 N 2.98 0.86 -1.61 0.36 -0.00 -1.90 -3.49 115.15 112.35 1wge h HIS 12 Ca -0.47 -0.55 0.30 0.00 -0.00 0.00 0.00 60.37 59.64 1wge h HIS 12 Cb 1.18 -0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 28.42 1wge h HIS 12 CO 0.61 1.40 0.76 -0.51 -0.00 0.00 0.00 177.93 180.19 1wge s ASP 13 N -7.25 -0.08 -0.34 3.26 1.01 -1.26 -5.10 116.67 106.91 1wge s ASP 13 Ca -0.11 -0.18 -0.08 0.00 0.71 0.00 0.00 52.55 52.89 1wge s ASP 13 Cb 0.04 0.22 0.03 0.00 1.01 0.00 0.00 42.92 44.22 1wge s ASP 13 CO 0.90 -0.41 0.13 -1.61 0.21 0.00 0.00 175.17 174.39 1wge s GLU 14 N -2.59 2.79 -0.00 8.23 2.02 -1.26 -2.16 118.70 125.73 1wge s GLU 14 Ca 0.14 -1.07 0.07 0.00 0.02 0.00 0.00 54.97 54.13 1wge s GLU 14 Cb 0.04 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 1wge s GLU 14 CO -0.03 -0.63 -0.23 0.08 0.02 0.00 0.00 175.26 174.48 1wge s VAL 15 N 1.47 2.34 0.23 2.63 1.01 -0.05 -4.93 120.40 123.10 1wge s VAL 15 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 1wge s VAL 15 Cb -0.19 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 1wge s VAL 15 CO 0.04 0.51 0.87 -1.61 0.00 0.00 0.00 175.10 174.91 1wge s GLU 16 N -0.86 4.67 0.49 2.72 2.02 -1.26 0.04 118.70 126.52 1wge s GLU 16 Ca 0.11 1.30 0.26 0.00 0.02 0.00 0.00 54.97 56.67 1wge s GLU 16 Cb -0.10 -3.17 1.33 0.00 0.10 0.00 0.00 34.13 32.30 1wge s GLU 16 CO 0.01 0.49 1.88 0.97 0.02 0.00 0.00 175.26 178.63 1wge h ILE 17 N 3.09 0.60 -1.19 -1.63 6.09 -1.59 0.01 117.51 122.89 1wge h ILE 17 Ca -0.46 -0.05 0.34 0.00 -1.37 0.00 0.00 64.86 63.32 1wge h ILE 17 Cb 1.20 0.44 -0.09 0.00 0.47 0.00 0.00 36.82 38.85 1wge h ILE 17 CO 0.67 0.03 0.80 -0.33 -3.07 0.00 0.00 178.15 176.24 1wge h GLU 18 N 0.15 0.19 0.08 2.19 4.39 -1.92 0.65 114.58 120.30 1wge h GLU 18 Ca 0.43 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.86 1wge h GLU 18 Cb 1.48 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1wge h GLU 18 CO -0.07 0.12 -1.25 -0.44 -1.16 0.00 0.00 179.01 176.21 1wge h ASP 19 N 0.19 0.25 -3.38 1.42 5.19 -1.38 -3.47 116.42 115.25 1wge h ASP 19 Ca 0.66 -0.29 -0.51 0.00 -0.62 0.00 0.00 57.03 56.26 1wge h ASP 19 Cb 2.08 -0.08 0.22 0.00 0.18 0.00 0.00 39.33 41.72 1wge h ASP 19 CO -0.23 1.23 -0.46 0.49 -3.12 0.00 0.00 179.24 177.16 1wge n PHE 20 N -3.43 -0.97 -3.78 4.55 3.01 0.23 -4.97 117.46 112.10 1wge n PHE 20 Ca -0.08 0.22 -0.36 0.00 1.01 0.00 0.00 57.45 58.25 1wge n PHE 20 Cb 1.00 -1.78 -0.11 0.00 -0.01 0.00 0.00 39.48 38.57 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 -3.87 2.11 0.01 -1.08 0.74 -0.53 -4.85 119.66 112.19 1wge s GLN 21 Ca 0.60 -2.03 -0.30 0.00 0.05 0.00 0.00 55.36 53.67 1wge s GLN 21 Cb -0.20 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.27 1wge s GLN 21 CO 0.65 -1.09 1.23 -0.47 -0.55 0.00 0.00 175.29 175.06 1wge s TYR 22 N 0.77 3.25 -0.39 1.67 6.14 -1.26 -1.79 117.35 125.74 1wge s TYR 22 Ca 0.11 1.19 -0.02 0.00 0.64 0.00 0.00 57.07 58.99 1wge s TYR 22 Cb -0.22 -3.46 0.10 0.00 0.42 0.00 0.00 41.96 38.80 1wge s TYR 22 CO -0.04 -1.48 0.17 0.34 0.64 0.00 0.00 175.55 175.17 1wge s ASP 23 N 1.35 5.17 0.43 4.32 -1.08 -0.00 -4.96 116.67 121.90 1wge s ASP 23 Ca 0.58 -1.95 0.24 0.00 -0.52 0.00 0.00 52.55 50.90 1wge s ASP 23 Cb -0.28 -1.80 1.24 0.00 -1.46 0.00 0.00 42.92 40.62 1wge s ASP 23 CO 0.26 -0.50 1.74 1.05 0.52 0.00 0.00 175.17 178.25 1wge h GLU 24 N 8.00 0.26 -0.95 4.34 4.11 -1.95 0.21 114.58 128.61 1wge h GLU 24 Ca -0.13 -0.02 0.16 0.00 0.07 0.00 0.00 59.36 59.45 1wge h GLU 24 Cb 1.05 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 30.08 1wge h GLU 24 CO 0.66 0.17 -0.33 -0.25 0.07 0.00 0.00 179.01 179.34 1wge n ASP 25 N -4.57 -0.52 -0.97 3.06 8.00 -1.26 -1.97 116.55 118.32 1wge n ASP 25 Ca 0.28 1.65 0.05 0.00 0.71 0.00 0.00 54.79 57.48 1wge n ASP 25 Cb 1.05 -0.42 0.12 0.00 -0.02 0.00 0.00 41.12 41.85 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 -5.45 1.36 -3.85 -2.24 7.64 -0.49 -5.00 113.62 105.59 1wge n SER 26 Ca 0.12 -2.97 -0.26 0.00 1.01 0.00 0.00 58.87 56.77 1wge n SER 26 Cb 0.41 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.38 -0.80 -4.30 1.43 1.02 0.60 -4.80 120.64 113.41 1wge n GLU 27 Ca 0.12 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 57.10 1wge n GLU 27 Cb 0.89 -2.22 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 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 -3.98 0.66 0.51 2.62 2.01 -1.12 -1.36 115.64 114.98 1wge s THR 28 Ca 0.10 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 1wge s THR 28 Cb -0.06 -0.57 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 1wge s THR 28 CO 0.71 0.13 0.78 -0.31 -0.69 0.00 0.00 174.62 175.23 1wge s TYR 29 N -0.32 3.27 0.08 4.92 1.51 -0.79 -0.82 117.35 125.21 1wge s TYR 29 Ca 0.02 0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 56.55 1wge s TYR 29 Cb -0.04 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 1wge s TYR 29 CO -0.00 -0.54 -0.01 -0.06 -1.11 0.00 0.00 175.55 173.82 1wge s PHE 30 N -2.76 0.69 -0.23 2.71 0.08 -0.74 -2.71 117.98 115.03 1wge s PHE 30 Ca 0.50 -1.08 -0.26 0.00 0.12 0.00 0.00 56.93 56.22 1wge s PHE 30 Cb -0.10 -0.45 0.07 0.00 -0.57 0.00 0.00 43.02 41.97 1wge s PHE 30 CO 0.42 -0.37 0.73 -0.47 -0.10 0.00 0.00 175.22 175.43 1wge s TYR 31 N -3.89 -0.75 -0.29 0.36 5.04 -1.15 -1.45 117.35 115.22 1wge s TYR 31 Ca 0.12 1.76 -0.29 0.00 -2.44 0.00 0.00 57.07 56.23 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 -0.06 -0.41 1.66 -1.25 -1.34 0.00 0.00 175.55 174.15 1wge s PRO 32 N 0.11 3.59 0.06 4.97 0.04 -1.26 0.85 135.00 143.36 1wge s PRO 32 Ca -0.02 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.27 1wge s PRO 32 Cb -0.04 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 1wge s PRO 32 CO 0.02 -1.54 0.69 0.00 0.04 0.00 0.00 177.00 176.21 1wge n PRO 34 N 2.35 0.49 -0.01 0.00 -0.04 -1.26 -2.58 135.00 133.95 1wge n PRO 34 Ca -0.06 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.40 1wge n PRO 34 Cb 0.50 -1.13 -0.01 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 3.43 -1.30 3.75 0.00 0.00 -1.07 -5.08 105.19 104.92 1wge n GLY 36 Ca -0.02 0.46 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.77 5.26 -0.09 1.61 1.11 -1.26 -4.53 116.67 116.01 1wge s ASP 37 Ca 0.00 2.59 -0.22 0.00 0.18 0.00 0.00 52.55 55.09 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 -1.56 0.65 0.20 1.18 0.00 0.00 175.17 175.64 1wge s ASN 38 N -1.24 6.91 1.03 0.27 0.01 -1.26 -3.35 114.94 117.31 1wge s ASN 38 Ca 0.74 1.09 -0.19 0.00 -0.71 0.00 0.00 52.86 53.79 1wge s ASN 38 Cb -0.36 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 1wge s ASN 38 CO 0.41 -0.10 -0.31 0.49 -1.51 0.00 0.00 177.10 176.08 1wge n PHE 39 N 3.85 -2.00 -3.65 2.20 3.72 0.25 -4.64 117.46 117.18 1wge n PHE 39 Ca -0.02 0.24 -0.06 0.00 -0.05 0.00 0.00 57.45 57.56 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 -2.20 -1.71 -0.08 4.37 0.00 -1.10 -2.96 121.76 118.08 1wge s ALA 40 Ca 0.50 2.15 -0.02 0.00 0.00 0.00 0.00 51.96 54.59 1wge s ALA 40 Cb -0.11 -1.45 0.04 0.00 0.00 0.00 0.00 23.12 21.60 1wge s ALA 40 CO 0.69 -0.58 0.05 -1.50 0.00 0.00 0.00 175.76 174.42 1wge s ILE 41 N 2.11 0.07 0.25 0.00 2.07 -1.10 -3.75 121.20 120.85 1wge s ILE 41 Ca -0.08 0.19 -0.30 0.00 -1.41 0.00 0.00 60.65 59.05 1wge s ILE 41 Cb -0.09 -0.38 -0.11 0.00 0.13 0.00 0.00 42.46 42.02 1wge s ILE 41 CO -0.18 0.11 1.53 0.42 -1.91 0.00 0.00 174.94 174.92 1wge s THR 42 N 2.09 2.40 0.31 4.00 -4.23 -1.26 -1.89 115.64 117.06 1wge s THR 42 Ca 0.04 0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.95 1wge s THR 42 Cb -0.13 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 70.80 1wge s THR 42 CO -0.05 0.05 1.72 0.50 -0.54 0.00 0.00 174.62 176.30 1wge h LYS 43 N 5.38 0.52 -0.67 3.99 3.11 -1.53 0.78 116.57 128.15 1wge h LYS 43 Ca -0.46 -0.03 0.13 0.00 -2.81 0.00 0.00 60.65 57.48 1wge h LYS 43 Cb 1.22 -0.12 -0.09 0.00 -1.00 0.00 0.00 32.23 32.24 1wge h LYS 43 CO 0.82 0.35 0.20 1.49 -2.81 0.00 0.00 179.45 179.49 1wge h GLU 44 N 0.54 0.32 0.39 1.90 4.81 -1.90 -2.16 114.58 118.48 1wge h GLU 44 Ca 0.61 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1wge h GLU 44 Cb 1.14 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1wge h GLU 44 CO -0.48 0.21 -0.34 -0.44 -0.73 0.00 0.00 179.01 177.24 1wge h ASP 45 N 0.33 -0.89 -0.90 1.04 3.32 -1.21 -2.44 116.42 115.67 1wge h ASP 45 Ca 0.36 0.07 0.25 0.00 0.02 0.00 0.00 57.03 57.73 1wge h ASP 45 Cb 0.55 0.29 -0.15 0.00 0.22 0.00 0.00 39.33 40.24 1wge h ASP 45 CO -0.41 -0.49 0.25 -0.07 -1.72 0.00 0.00 179.24 176.80 1wge h LEU 46 N -0.73 0.00 -1.80 1.55 3.38 -1.29 1.16 115.31 117.57 1wge h LEU 46 Ca -0.03 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1wge h LEU 46 Cb 0.64 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1wge h LEU 46 CO -0.03 -0.18 -0.02 -0.33 0.09 0.00 0.00 178.44 177.97 1wge h GLU 47 N 0.19 0.09 -0.62 1.13 5.08 -1.00 -0.42 114.58 119.04 1wge h GLU 47 Ca 0.58 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1wge h GLU 47 Cb 1.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wge h GLU 47 CO -0.68 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 177.54 1wge n ASN 48 N -4.45 1.28 -2.75 1.42 3.02 0.40 -4.73 115.26 109.44 1wge n ASN 48 Ca -0.02 -2.09 -0.18 0.00 -0.03 0.00 0.00 54.58 52.26 1wge n ASN 48 Cb 0.14 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.32 -0.21 0.06 7.41 0.00 -0.17 -4.95 105.19 107.65 1wge n GLY 49 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.83 0.00 -6.45 1.61 4.39 -1.59 -3.48 114.58 107.22 1wge h GLU 50 Ca -0.43 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.77 1wge h GLU 50 Cb 1.28 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.85 1wge h GLU 50 CO 0.43 0.28 -0.82 -0.40 -1.16 0.00 0.00 179.01 177.34 1wge n ASP 51 N -4.72 -3.00 -3.74 1.42 5.75 -1.26 -4.95 116.55 106.05 1wge n ASP 51 Ca -0.04 -0.90 -0.18 0.00 -0.01 0.00 0.00 54.79 53.66 1wge n ASP 51 Cb 0.16 -3.39 -0.17 0.00 -1.03 0.00 0.00 41.12 36.69 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 -3.48 -0.01 -0.26 2.12 1.01 -1.26 -2.65 120.40 115.88 1wge s VAL 52 Ca 0.48 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1wge s VAL 52 Cb -0.25 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1wge s VAL 52 CO 0.87 0.14 0.03 0.00 0.00 0.00 0.00 175.10 176.15 1wge s ALA 53 N 1.52 2.99 -0.00 5.51 0.00 -1.14 -4.80 121.76 125.84 1wge s ALA 53 Ca -0.03 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 1wge s ALA 53 Cb -0.13 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1wge s ALA 53 CO -0.03 -0.68 0.29 0.99 0.00 0.00 0.00 175.76 176.33 1wge s THR 54 N 1.51 5.25 -0.18 0.00 2.01 -1.23 -3.31 115.64 119.69 1wge s THR 54 Ca 0.04 0.35 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 1wge s THR 54 Cb -0.16 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1wge s THR 54 CO 0.01 0.44 0.11 0.00 -0.69 0.00 0.00 174.62 174.48 1wge n PRO 56 N 3.30 0.49 0.01 0.00 -0.04 -1.26 -0.11 135.00 137.38 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 0.52 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.67 0.40 0.02 3.54 2.88 -1.26 -4.86 113.62 113.67 1wge n SER 57 Ca 0.04 0.05 0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1wge n SER 57 Cb 0.02 -0.17 -0.12 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.42 -2.38 -4.75 0.00 2.88 0.84 -4.91 113.62 102.88 1wge n SER 59 Ca -0.04 0.01 -0.37 0.00 -1.33 0.00 0.00 58.87 57.14 1wge n SER 59 Cb 0.59 -1.61 0.04 0.00 -0.75 0.00 0.00 64.21 62.48 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 -1.48 3.74 -0.14 2.46 1.43 -1.26 -4.34 118.68 119.09 1wge s LEU 60 Ca 0.00 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.63 1wge s LEU 60 Cb 0.00 -4.48 0.02 0.00 0.03 0.00 0.00 46.19 41.76 1wge s LEU 60 CO 0.00 -1.59 -0.16 0.27 0.23 0.00 0.00 176.35 175.10 1wge s ILE 61 N -1.47 1.64 0.20 -0.59 -4.36 -1.24 -2.74 121.20 112.64 1wge s ILE 61 Ca 0.75 -0.70 0.11 0.00 -0.26 0.00 0.00 60.65 60.56 1wge s ILE 61 Cb -0.34 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1wge s ILE 61 CO 0.38 0.47 -0.23 0.27 0.24 0.00 0.00 174.94 176.07 1wge s ILE 62 N 1.24 2.39 -0.34 8.37 -4.36 -1.21 -2.58 121.20 124.71 1wge s ILE 62 Ca -0.00 -2.05 -0.25 0.00 -0.26 0.00 0.00 60.65 58.09 1wge s ILE 62 Cb -0.14 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.43 1wge s ILE 62 CO -0.07 -0.14 0.86 -0.75 0.24 0.00 0.00 174.94 175.08 1wge s LYS 63 N -2.74 3.89 -0.59 0.37 2.47 -0.92 -2.90 119.74 119.32 1wge s LYS 63 Ca 0.22 0.57 -0.22 0.00 -1.56 0.00 0.00 55.97 54.97 1wge s LYS 63 Cb -0.08 -3.77 0.06 0.00 -1.46 0.00 0.00 37.83 32.58 1wge s LYS 63 CO 0.10 -0.82 0.89 0.08 0.16 0.00 0.00 175.35 175.76 1wge s VAL 64 N 3.22 4.45 -0.66 4.02 1.01 -1.09 -0.87 120.40 130.48 1wge s VAL 64 Ca 0.35 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 1wge s VAL 64 Cb -0.13 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.69 1wge s VAL 64 CO 0.16 -1.22 1.48 -0.63 0.00 0.00 0.00 175.10 174.89 1wge s ILE 65 N 3.74 3.62 0.12 2.22 -1.09 0.11 -4.75 121.20 125.18 1wge s ILE 65 Ca 0.23 0.40 0.04 0.00 -2.23 0.00 0.00 60.65 59.09 1wge s ILE 65 Cb -0.16 -4.52 -0.04 0.00 -1.58 0.00 0.00 42.46 36.16 1wge s ILE 65 CO 0.13 -1.42 -0.09 -0.72 -1.23 0.00 0.00 174.94 171.61 1wge s TYR 66 N 6.82 1.13 -0.66 3.97 -0.85 -1.26 -1.59 117.35 124.91 1wge s TYR 66 Ca 0.48 -0.77 -0.26 0.00 -0.52 0.00 0.00 57.07 56.00 1wge s TYR 66 Cb -0.10 -0.60 -0.03 0.00 0.38 0.00 0.00 41.96 41.61 1wge s TYR 66 CO 0.19 0.01 1.93 -0.51 -1.52 0.00 0.00 175.55 175.65 1wge s ASP 67 N -2.98 5.15 0.31 -0.18 1.11 -1.26 -4.83 116.67 113.98 1wge s ASP 67 Ca 0.13 0.20 0.07 0.00 0.18 0.00 0.00 52.55 53.13 1wge s ASP 67 Cb 0.02 -2.53 0.82 0.00 1.07 0.00 0.00 42.92 42.30 1wge s ASP 67 CO -0.01 -2.52 1.73 0.11 1.18 0.00 0.00 175.17 175.65 1wge h LYS 68 N 14.60 0.53 -0.73 8.23 1.79 -1.98 0.36 116.57 139.37 1wge h LYS 68 Ca -0.18 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1wge h LYS 68 Cb 1.14 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 1wge h LYS 68 CO 1.21 0.35 0.43 -0.44 -1.08 0.00 0.00 179.45 179.92 1wge h ASP 69 N 0.55 0.87 0.55 0.86 3.32 -1.96 0.33 116.42 120.94 1wge h ASP 69 Ca 0.61 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.58 1wge h ASP 69 Cb 1.14 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.48 1wge h ASP 69 CO -0.48 0.68 -0.27 1.56 -1.72 0.00 0.00 179.24 179.01 1wge h GLN 70 N 1.00 -0.72 0.01 3.56 1.08 -0.57 0.13 115.11 119.60 1wge h GLN 70 Ca 0.26 0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.51 1wge h GLN 70 Cb -0.03 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1wge h GLN 70 CO -0.05 -0.42 -0.00 0.74 -0.95 0.00 0.00 178.83 178.15 1wge h PHE 71 N -0.91 -0.01 0.39 2.96 -1.00 -1.31 -3.27 116.94 113.79 1wge h PHE 71 Ca -0.08 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 1wge h PHE 71 Cb 0.63 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 1wge h PHE 71 CO -0.01 0.21 -0.30 0.52 -1.61 0.00 0.00 178.31 177.11 1wge h MET 72 N -0.22 -0.65 -5.05 1.51 2.86 -0.39 -3.30 114.93 109.69 1wge h MET 72 Ca -0.00 0.04 -0.72 0.00 -2.06 0.00 0.00 59.70 56.96 1wge h MET 72 Cb 0.22 0.15 -0.15 0.00 0.06 0.00 0.00 31.60 31.87 1wge h MET 72 CO 0.00 -0.43 1.55 0.00 1.06 0.00 0.00 176.91 179.09 1wge n GLY 74 N 4.51 0.16 3.22 0.00 0.00 -1.23 -4.66 105.19 107.19 1wge n GLY 74 Ca 0.39 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 3.67 -4.99 1.61 0.00 -1.26 -5.01 120.64 114.66 1wge n GLU 75 Ca 0.00 -4.49 -0.29 0.00 0.00 0.00 0.00 57.16 52.38 1wge n GLU 75 Cb 0.00 -2.52 -0.15 0.00 0.00 0.00 0.00 31.44 28.77 1wge n GLU 75 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1wge s THR 76 N -1.71 1.97 -0.60 3.84 -4.23 -1.26 -5.06 115.64 108.59 1wge s THR 76 Ca 0.31 -1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 59.34 1wge s THR 76 Cb -0.06 -1.67 -0.06 0.00 1.34 0.00 0.00 72.50 72.06 1wge s THR 76 CO -0.04 0.41 2.16 -0.69 -0.54 0.00 0.00 174.62 175.93 1wge s VAL 77 N -0.71 3.18 0.84 2.29 1.01 -1.26 -4.95 120.40 120.80 1wge s VAL 77 Ca 0.10 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1wge s VAL 77 Cb -0.10 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 32.98 1wge s VAL 77 CO 0.01 -0.43 1.17 -0.94 0.00 0.00 0.00 175.10 174.91 1wge s SER 78 N 10.18 3.85 0.19 3.32 1.04 -1.26 -5.10 113.70 125.92 1wge s SER 78 Ca 0.83 0.18 0.10 0.00 0.48 0.00 0.00 55.95 57.55 1wge s SER 78 Cb -0.14 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.48 1wge s SER 78 CO 0.20 -2.24 -0.16 -0.83 0.98 0.00 0.00 173.24 171.19 1wge s GLY 79 N -4.76 1.72 -0.56 7.32 0.00 -1.26 -5.07 107.32 104.72 1wge s GLY 79 Ca 0.69 -1.56 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 1wge s GLY 79 CO 0.49 -1.59 1.83 2.56 0.00 0.00 0.00 173.10 176.39 1wge s PRO 80 N -2.78 2.79 0.31 2.90 0.04 -1.26 -4.91 135.00 132.08 1wge s PRO 80 Ca 0.23 0.75 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 1wge s PRO 80 Cb -0.08 -4.34 0.03 0.00 0.04 0.00 0.00 34.50 30.14 1wge s PRO 80 CO 0.13 -2.53 0.70 -1.12 0.04 0.00 0.00 177.00 174.21 1wge s SER 81 N 7.56 -0.12 0.27 6.66 0.01 -1.26 -5.15 113.70 121.67 1wge s SER 81 Ca 0.69 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 1wge s SER 81 Cb -0.14 0.74 -0.09 0.00 0.21 0.00 0.00 66.02 66.74 1wge s SER 81 CO 0.23 -1.42 1.17 -0.44 0.41 0.00 0.00 173.24 173.20 1wge s SER 82 N -2.99 7.12 0.00 2.44 0.01 -1.26 -5.28 113.70 113.74 1wge s SER 82 Ca 0.14 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.76 1wge s SER 82 Cb -0.05 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1wge s SER 82 CO 0.09 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.07