#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 3.65 -0.06 1.61 0.15 -1.26 -5.11 113.70 112.68 1wge s SER 2 Ca 0.00 -1.03 -0.17 0.00 0.70 0.00 0.00 55.95 55.45 1wge s SER 2 Cb 0.00 -1.24 0.03 0.00 -1.71 0.00 0.00 66.02 63.10 1wge s SER 2 CO 0.00 -0.18 0.39 -0.55 1.20 0.00 0.00 173.24 174.10 1wge s SER 3 N 1.37 -0.32 0.00 5.45 0.15 -1.26 -5.16 113.70 113.92 1wge s SER 3 Ca -0.04 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wge s SER 3 Cb -0.17 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1wge s SER 3 CO -0.07 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1wge n GLY 4 N 1.68 3.37 3.18 9.45 0.00 -1.26 -5.12 105.19 116.49 1wge n GLY 4 Ca -0.19 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1wge n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wge s SER 5 N 0.00 5.01 -0.04 1.61 0.01 -1.26 -5.07 113.70 113.96 1wge s SER 5 Ca 0.00 -1.38 -0.01 0.00 1.31 0.00 0.00 55.95 55.87 1wge s SER 5 Cb 0.00 -1.75 0.03 0.00 0.21 0.00 0.00 66.02 64.51 1wge s SER 5 CO 0.00 -0.31 0.07 -0.55 0.41 0.00 0.00 173.24 172.86 1wge s SER 6 N 1.36 0.01 -0.22 2.44 0.15 -1.26 -5.14 113.70 111.04 1wge s SER 6 Ca -0.02 0.13 -0.06 0.00 0.70 0.00 0.00 55.95 56.70 1wge s SER 6 Cb -0.20 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1wge s SER 6 CO -0.01 -0.14 0.03 -0.83 1.20 0.00 0.00 173.24 173.49 1wge s GLY 7 N 1.12 1.74 -0.07 9.45 0.00 -1.26 -5.08 107.32 113.22 1wge s GLY 7 Ca -0.09 -1.04 -0.28 0.00 0.00 0.00 0.00 44.72 43.31 1wge s GLY 7 CO -0.04 0.35 0.94 -3.16 0.00 0.00 0.00 173.10 171.19 1wge s MET 8 N 1.22 4.45 -0.45 2.90 0.00 -1.26 -5.02 119.30 121.15 1wge s MET 8 Ca 0.04 1.29 0.02 0.00 0.00 0.00 0.00 55.69 57.05 1wge s MET 8 Cb -0.15 -3.51 0.12 0.00 0.00 0.00 0.00 34.83 31.30 1wge s MET 8 CO 0.02 -0.18 0.19 0.00 0.00 0.00 0.00 175.02 175.04 1wge s ALA 9 N 1.56 3.16 -0.32 3.16 0.00 -1.26 -5.05 121.76 123.00 1wge s ALA 9 Ca 0.47 -2.88 0.03 0.00 0.00 0.00 0.00 51.96 49.58 1wge s ALA 9 Cb -0.19 -2.17 0.09 0.00 0.00 0.00 0.00 23.12 20.85 1wge s ALA 9 CO 0.21 -1.87 0.01 0.54 0.00 0.00 0.00 175.76 174.65 1wge s VAL 10 N 0.40 2.32 0.22 0.00 0.11 -1.26 -5.11 120.40 117.08 1wge s VAL 10 Ca 0.13 -2.12 0.05 0.00 -2.93 0.00 0.00 61.98 57.12 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 -0.04 -0.44 0.25 -0.36 -3.33 0.00 0.00 175.10 171.17 1wge s PHE 11 N 0.97 3.27 -0.05 1.54 0.40 -1.26 -4.67 117.98 118.19 1wge s PHE 11 Ca 0.05 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.18 1wge s PHE 11 Cb -0.19 -1.51 -0.31 0.00 0.51 0.00 0.00 43.02 41.52 1wge s PHE 11 CO -0.07 0.50 0.76 1.25 0.70 0.00 0.00 175.22 178.36 1wge h HIS 12 N 1.64 0.65 -1.31 0.36 -0.00 -1.93 -3.49 115.15 111.07 1wge h HIS 12 Ca -0.49 -0.47 0.23 0.00 -0.00 0.00 0.00 60.37 59.63 1wge h HIS 12 Cb 1.22 -0.03 -0.23 0.00 -0.00 0.00 0.00 27.41 28.38 1wge h HIS 12 CO 0.52 1.52 0.84 -0.51 -0.00 0.00 0.00 177.93 180.30 1wge s ASP 13 N -7.20 -0.13 -0.53 3.26 1.01 -1.26 -5.10 116.67 106.72 1wge s ASP 13 Ca -0.15 0.07 -0.18 0.00 0.71 0.00 0.00 52.55 53.01 1wge s ASP 13 Cb 0.04 0.12 0.09 0.00 1.01 0.00 0.00 42.92 44.17 1wge s ASP 13 CO 0.84 -0.16 0.58 -1.61 0.21 0.00 0.00 175.17 175.02 1wge s GLU 14 N -1.70 3.04 -0.01 8.23 2.02 -1.26 -2.66 118.70 126.35 1wge s GLU 14 Ca 0.08 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1wge s GLU 14 Cb -0.01 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 29.99 1wge s GLU 14 CO -0.05 -1.30 0.03 0.08 0.02 0.00 0.00 175.26 174.04 1wge s VAL 15 N 2.24 4.36 0.08 2.63 1.01 -0.02 -4.88 120.40 125.82 1wge s VAL 15 Ca 0.09 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1wge s VAL 15 Cb -0.24 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 1wge s VAL 15 CO 0.07 0.40 0.84 -1.61 0.00 0.00 0.00 175.10 174.80 1wge s GLU 16 N -1.53 4.58 0.41 2.72 2.02 -1.26 -0.23 118.70 125.42 1wge s GLU 16 Ca 0.20 1.22 0.23 0.00 0.02 0.00 0.00 54.97 56.64 1wge s GLU 16 Cb -0.12 -3.36 1.23 0.00 0.10 0.00 0.00 34.13 31.99 1wge s GLU 16 CO 0.10 0.28 1.70 0.97 0.02 0.00 0.00 175.26 178.34 1wge h ILE 17 N 4.01 0.34 -1.39 -1.63 6.09 -1.68 0.30 117.51 123.55 1wge h ILE 17 Ca -0.44 -0.09 0.42 0.00 -1.37 0.00 0.00 64.86 63.38 1wge h ILE 17 Cb 1.21 0.06 -0.09 0.00 0.47 0.00 0.00 36.82 38.47 1wge h ILE 17 CO 0.71 0.05 0.96 -0.33 -3.07 0.00 0.00 178.15 176.47 1wge h GLU 18 N 0.26 0.09 0.10 2.19 3.07 -1.92 1.10 114.58 119.46 1wge h GLU 18 Ca 0.70 -0.01 -0.27 0.00 -0.50 0.00 0.00 59.36 59.28 1wge h GLU 18 Cb 1.95 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.83 1wge h GLU 18 CO -0.37 0.06 -1.26 -0.44 -1.40 0.00 0.00 179.01 175.60 1wge h ASP 19 N 0.09 0.32 -3.51 1.42 3.32 -0.78 -3.47 116.42 113.81 1wge h ASP 19 Ca 0.74 -0.36 -0.52 0.00 0.02 0.00 0.00 57.03 56.90 1wge h ASP 19 Cb 2.61 -0.10 0.21 0.00 0.22 0.00 0.00 39.33 42.27 1wge h ASP 19 CO -0.18 1.29 -0.43 0.49 -1.72 0.00 0.00 179.24 178.69 1wge n PHE 20 N -3.47 -0.96 -3.79 4.55 3.01 0.38 -4.97 117.46 112.21 1wge n PHE 20 Ca -0.08 0.25 -0.36 0.00 1.01 0.00 0.00 57.45 58.26 1wge n PHE 20 Cb 1.01 -1.81 -0.12 0.00 -0.01 0.00 0.00 39.48 38.55 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 2.17 -0.01 -1.08 -0.21 -0.48 -4.83 119.66 111.37 1wge s GLN 21 Ca 0.59 -1.64 -0.30 0.00 0.02 0.00 0.00 55.36 54.04 1wge s GLN 21 Cb -0.21 -3.50 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 1wge s GLN 21 CO 0.65 -0.94 1.01 -0.47 -2.12 0.00 0.00 175.29 173.42 1wge s TYR 22 N 1.20 3.62 -0.37 0.91 6.14 -1.26 -1.43 117.35 126.16 1wge s TYR 22 Ca 0.04 1.64 0.00 0.00 0.64 0.00 0.00 57.07 59.40 1wge s TYR 22 Cb -0.22 -3.16 0.10 0.00 0.42 0.00 0.00 41.96 39.10 1wge s TYR 22 CO -0.03 -0.17 0.11 0.34 0.64 0.00 0.00 175.55 176.45 1wge s ASP 23 N 1.03 4.99 0.40 4.32 -1.08 -0.86 -4.96 116.67 120.51 1wge s ASP 23 Ca 0.52 -2.02 0.22 0.00 -0.52 0.00 0.00 52.55 50.75 1wge s ASP 23 Cb -0.22 -1.72 1.22 0.00 -1.46 0.00 0.00 42.92 40.74 1wge s ASP 23 CO 0.27 -0.44 1.70 1.05 0.52 0.00 0.00 175.17 178.27 1wge h GLU 24 N 7.84 0.26 -0.97 4.34 -0.00 -1.94 0.62 114.58 124.72 1wge h GLU 24 Ca -0.10 -0.02 0.18 0.00 -0.00 0.00 0.00 59.36 59.43 1wge h GLU 24 Cb 1.04 -0.06 -0.18 0.00 -0.00 0.00 0.00 28.75 29.55 1wge h GLU 24 CO 0.60 0.17 -0.29 -3.47 -0.00 0.00 0.00 179.01 176.03 1wge n ASP 25 N -4.72 -0.44 -0.45 3.06 -0.08 -1.26 -1.94 116.55 110.71 1wge n ASP 25 Ca 0.31 1.68 0.05 0.00 -1.51 0.00 0.00 54.79 55.33 1wge n ASP 25 Cb 1.10 -0.47 0.09 0.00 2.34 0.00 0.00 41.12 44.18 1wge n ASP 25 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1wge n SER 26 N -5.54 1.33 -4.00 1.67 3.41 -0.21 -5.00 113.62 105.28 1wge n SER 26 Ca 0.14 -2.73 -0.26 0.00 -0.26 0.00 0.00 58.87 55.76 1wge n SER 26 Cb 0.46 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wge n GLU 27 N -0.70 -0.94 -4.57 4.33 1.02 0.20 -4.82 120.64 115.16 1wge n GLU 27 Ca 0.10 0.08 -0.23 0.00 -0.02 0.00 0.00 57.16 57.09 1wge n GLU 27 Cb 0.73 -3.02 -0.16 0.00 -0.02 0.00 0.00 31.44 28.97 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 -4.05 1.07 0.70 2.62 2.01 -1.17 -1.70 115.64 115.12 1wge s THR 28 Ca 0.05 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 1wge s THR 28 Cb -0.03 -0.94 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1wge s THR 28 CO 0.83 0.32 1.09 -0.31 -0.69 0.00 0.00 174.62 175.86 1wge s TYR 29 N 0.27 3.35 0.06 4.92 1.51 -0.89 -2.03 117.35 124.54 1wge s TYR 29 Ca -0.06 1.06 -0.01 0.00 -1.01 0.00 0.00 57.07 57.05 1wge s TYR 29 Cb -0.11 -3.03 -0.04 0.00 -0.11 0.00 0.00 41.96 38.66 1wge s TYR 29 CO 0.02 -1.13 -0.02 -0.06 -1.11 0.00 0.00 175.55 173.25 1wge s PHE 30 N -3.34 0.56 -0.25 2.71 0.08 -0.51 -2.89 117.98 114.34 1wge s PHE 30 Ca 0.58 -1.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.29 1wge s PHE 30 Cb -0.11 -0.40 0.08 0.00 -0.57 0.00 0.00 43.02 42.02 1wge s PHE 30 CO 0.52 -0.40 0.77 -0.47 -0.10 0.00 0.00 175.22 175.54 1wge s TYR 31 N -3.93 -0.72 -0.22 0.36 5.04 -1.19 -1.38 117.35 115.31 1wge s TYR 31 Ca 0.09 1.71 -0.29 0.00 -2.44 0.00 0.00 57.07 56.14 1wge s TYR 31 Cb 0.08 0.30 -0.03 0.00 0.35 0.00 0.00 41.96 42.66 1wge s TYR 31 CO -0.09 -0.38 1.61 -1.25 -1.34 0.00 0.00 175.55 174.11 1wge s PRO 32 N 0.19 3.79 0.04 4.97 0.04 -1.26 0.98 135.00 143.75 1wge s PRO 32 Ca -0.01 1.65 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 1wge s PRO 32 Cb -0.04 -4.03 -0.06 0.00 0.04 0.00 0.00 34.50 30.40 1wge s PRO 32 CO 0.01 -1.30 0.61 0.00 0.04 0.00 0.00 177.00 176.36 1wge n PRO 34 N 2.30 0.49 -0.01 0.00 -0.04 -1.26 -2.59 135.00 133.88 1wge n PRO 34 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 1wge n PRO 34 Cb 0.51 -1.10 -0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 3.34 -1.25 3.76 0.00 0.00 -1.07 -5.08 105.19 104.89 1wge n GLY 36 Ca -0.05 0.45 -0.38 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 -2.58 5.70 -0.03 1.61 1.01 -1.26 -4.53 116.67 116.59 1wge s ASP 37 Ca 0.00 2.61 -0.25 0.00 0.71 0.00 0.00 52.55 55.62 1wge s ASP 37 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1wge s ASP 37 CO 0.00 -1.26 0.75 0.20 0.21 0.00 0.00 175.17 175.07 1wge s ASN 38 N -1.04 7.10 1.07 0.27 0.01 -1.26 -3.43 114.94 117.65 1wge s ASN 38 Ca 0.67 1.32 -0.20 0.00 -0.71 0.00 0.00 52.86 53.94 1wge s ASN 38 Cb -0.36 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 38.86 1wge s ASN 38 CO 0.44 -0.10 -0.36 0.49 -1.51 0.00 0.00 177.10 176.06 1wge n PHE 39 N 3.53 -1.62 -3.65 2.20 3.72 0.27 -4.67 117.46 117.25 1wge n PHE 39 Ca -0.01 0.26 -0.04 0.00 -0.05 0.00 0.00 57.45 57.62 1wge n PHE 39 Cb 0.51 -1.54 -0.05 0.00 -0.94 0.00 0.00 39.48 37.46 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 -2.19 -1.93 -0.13 4.37 0.00 -1.09 -3.19 121.76 117.61 1wge s ALA 40 Ca 0.51 2.32 -0.03 0.00 0.00 0.00 0.00 51.96 54.75 1wge s ALA 40 Cb -0.08 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.46 1wge s ALA 40 CO 0.67 -0.73 0.06 -1.50 0.00 0.00 0.00 175.76 174.27 1wge s ILE 41 N 2.44 0.05 0.28 0.00 2.07 -1.14 -3.59 121.20 121.31 1wge s ILE 41 Ca -0.07 -0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 58.83 1wge s ILE 41 Cb -0.10 -0.53 -0.12 0.00 0.13 0.00 0.00 42.46 41.85 1wge s ILE 41 CO -0.19 -0.09 1.64 0.35 -1.91 0.00 0.00 174.94 174.74 1wge n THR 42 N 5.23 0.80 -0.34 4.00 -2.24 -1.26 -2.10 114.28 118.37 1wge n THR 42 Ca -0.06 -0.20 0.21 0.00 -2.27 0.00 0.00 64.05 61.73 1wge n THR 42 Cb 0.49 -1.99 0.44 0.00 -2.10 0.00 0.00 70.33 67.17 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 5.26 0.43 -0.38 -0.78 3.11 -1.64 0.94 116.57 123.50 1wge h LYS 43 Ca -0.46 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.43 1wge h LYS 43 Cb 1.22 -0.10 -0.07 0.00 -1.00 0.00 0.00 32.23 32.28 1wge h LYS 43 CO 0.83 0.29 -0.08 1.49 -2.81 0.00 0.00 179.45 179.17 1wge h GLU 44 N 0.45 0.02 -0.14 1.90 4.81 -1.89 -2.34 114.58 117.39 1wge h GLU 44 Ca 0.69 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.96 1wge h GLU 44 Cb 1.48 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 1wge h GLU 44 CO -0.52 0.01 -0.35 -0.44 -0.73 0.00 0.00 179.01 176.98 1wge h ASP 45 N 0.02 -1.10 -0.60 1.04 5.19 -1.17 -1.86 116.42 117.93 1wge h ASP 45 Ca 0.18 0.16 0.11 0.00 -0.62 0.00 0.00 57.03 56.87 1wge h ASP 45 Cb 0.28 0.46 -0.12 0.00 0.18 0.00 0.00 39.33 40.13 1wge h ASP 45 CO -0.38 -0.38 -0.26 -0.07 -3.12 0.00 0.00 179.24 175.02 1wge h LEU 46 N -0.43 -0.93 -2.22 1.55 3.38 -1.37 0.77 115.31 116.07 1wge h LEU 46 Ca 0.09 0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1wge h LEU 46 Cb 0.57 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1wge h LEU 46 CO -0.37 -0.27 0.17 -0.33 0.09 0.00 0.00 178.44 177.73 1wge h GLU 47 N -0.11 0.00 -0.10 1.13 5.08 -0.97 0.34 114.58 119.96 1wge h GLU 47 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1wge h GLU 47 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wge h GLU 47 CO -0.67 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.43 1wge n ASN 48 N -3.93 0.60 -0.74 1.42 3.02 0.27 -4.80 115.26 111.11 1wge n ASN 48 Ca 0.01 -1.84 -0.06 0.00 -0.03 0.00 0.00 54.58 52.67 1wge n ASN 48 Cb 0.30 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.76 0.21 0.06 7.41 0.00 0.12 -4.98 105.19 108.77 1wge n GLY 49 Ca 0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.11 0.00 -6.39 1.61 4.39 -1.49 -3.48 114.58 109.11 1wge h GLU 50 Ca -0.13 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.08 1wge h GLU 50 Cb 1.10 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 1wge h GLU 50 CO 0.15 0.14 -0.83 -0.40 -1.16 0.00 0.00 179.01 176.92 1wge n ASP 51 N -4.73 -2.33 -3.71 1.42 5.68 -1.26 -4.94 116.55 106.68 1wge n ASP 51 Ca -0.03 -0.90 -0.12 0.00 -0.50 0.00 0.00 54.79 53.24 1wge n ASP 51 Cb 0.11 -3.48 -0.13 0.00 -1.14 0.00 0.00 41.12 36.48 1wge n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1wge s VAL 52 N -3.58 -0.14 -0.21 2.12 1.01 -1.26 -2.29 120.40 116.05 1wge s VAL 52 Ca 0.32 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1wge s VAL 52 Cb -0.17 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1wge s VAL 52 CO 0.86 0.07 -0.02 0.00 0.00 0.00 0.00 175.10 176.01 1wge s ALA 53 N 1.57 2.93 0.03 5.51 0.00 -1.21 -4.79 121.76 125.81 1wge s ALA 53 Ca -0.07 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 1wge s ALA 53 Cb -0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1wge s ALA 53 CO -0.09 -0.24 0.30 0.99 0.00 0.00 0.00 175.76 176.71 1wge s THR 54 N 1.16 5.26 -0.17 0.00 2.01 -1.24 -3.47 115.64 119.19 1wge s THR 54 Ca 0.02 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 1wge s THR 54 Cb -0.15 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1wge s THR 54 CO 0.00 0.32 0.19 0.00 -0.69 0.00 0.00 174.62 174.44 1wge n PRO 56 N 3.27 0.49 0.01 0.00 -0.04 -1.26 -0.30 135.00 137.17 1wge n PRO 56 Ca -0.15 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1wge n PRO 56 Cb 0.52 -1.13 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.16 0.06 3.54 2.88 -1.26 -4.87 113.62 113.50 1wge n SER 57 Ca 0.03 0.02 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1wge n SER 57 Cb 0.01 -0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.33 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 -2.51 -2.69 -4.74 0.00 3.41 0.59 -4.91 113.62 102.76 1wge n SER 59 Ca -0.02 0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 1wge n SER 59 Cb 0.56 -1.62 0.05 0.00 -0.26 0.00 0.00 64.21 62.95 1wge n SER 59 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1wge s LEU 60 N -1.42 3.72 -0.13 1.04 1.43 -1.26 -4.31 118.68 117.75 1wge s LEU 60 Ca 0.00 2.68 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 1wge s LEU 60 Cb 0.00 -4.44 0.02 0.00 0.03 0.00 0.00 46.19 41.80 1wge s LEU 60 CO 0.00 -1.75 -0.15 0.27 0.23 0.00 0.00 176.35 174.95 1wge s ILE 61 N -1.36 1.59 0.22 -0.59 -4.36 -1.25 -2.69 121.20 112.75 1wge s ILE 61 Ca 0.77 -0.67 0.11 0.00 -0.26 0.00 0.00 60.65 60.60 1wge s ILE 61 Cb -0.38 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 1wge s ILE 61 CO 0.43 0.46 -0.18 0.27 0.24 0.00 0.00 174.94 176.16 1wge s ILE 62 N 1.25 2.65 -0.29 8.37 -4.36 -1.23 -2.90 121.20 124.68 1wge s ILE 62 Ca -0.00 -2.04 -0.23 0.00 -0.26 0.00 0.00 60.65 58.11 1wge s ILE 62 Cb -0.14 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.24 1wge s ILE 62 CO -0.07 -0.21 0.76 -0.75 0.24 0.00 0.00 174.94 174.91 1wge s LYS 63 N -3.01 4.01 -0.50 0.37 2.36 -1.09 -3.31 119.74 118.57 1wge s LYS 63 Ca 0.25 0.60 -0.22 0.00 -2.55 0.00 0.00 55.97 54.05 1wge s LYS 63 Cb -0.07 -3.71 0.04 0.00 -1.05 0.00 0.00 37.83 33.04 1wge s LYS 63 CO 0.13 -0.61 0.79 0.08 1.55 0.00 0.00 175.35 177.28 1wge s VAL 64 N 2.85 4.63 -0.76 4.02 1.01 -0.97 -0.84 120.40 130.35 1wge s VAL 64 Ca 0.31 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 1wge s VAL 64 Cb -0.15 -4.38 0.04 0.00 0.00 0.00 0.00 36.38 31.90 1wge s VAL 64 CO 0.11 -0.86 1.24 -0.63 0.00 0.00 0.00 175.10 174.96 1wge s ILE 65 N 3.31 3.86 0.09 2.22 -1.09 0.68 -4.76 121.20 125.51 1wge s ILE 65 Ca 0.26 0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1wge s ILE 65 Cb -0.14 -4.89 -0.04 0.00 -1.58 0.00 0.00 42.46 35.81 1wge s ILE 65 CO 0.18 -1.79 -0.09 -0.72 -1.23 0.00 0.00 174.94 171.30 1wge s TYR 66 N 5.32 0.95 -0.70 3.97 -0.85 -1.26 -1.89 117.35 122.88 1wge s TYR 66 Ca 0.34 -0.70 -0.26 0.00 -0.52 0.00 0.00 57.07 55.93 1wge s TYR 66 Cb -0.09 -0.53 -0.02 0.00 0.38 0.00 0.00 41.96 41.70 1wge s TYR 66 CO 0.11 -0.06 1.82 -0.51 -1.52 0.00 0.00 175.55 175.39 1wge s ASP 67 N -2.47 5.35 0.15 -0.18 1.11 -1.26 -4.86 116.67 114.51 1wge s ASP 67 Ca 0.05 0.00 -0.28 0.00 0.18 0.00 0.00 52.55 52.49 1wge s ASP 67 Cb -0.02 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.41 1wge s ASP 67 CO -0.01 -2.39 1.57 0.11 1.18 0.00 0.00 175.17 175.63 1wge h LYS 68 N 13.61 -0.33 -0.98 8.23 1.57 -1.98 0.10 116.57 136.78 1wge h LYS 68 Ca -0.17 0.02 0.38 0.00 -1.87 0.00 0.00 60.65 59.01 1wge h LYS 68 Cb 1.11 0.08 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 1wge h LYS 68 CO 1.23 -0.22 0.43 -0.40 -0.57 0.00 0.00 179.45 179.91 1wge n ASP 69 N -5.41 0.25 0.22 0.86 5.75 -1.26 0.20 116.55 117.17 1wge n ASP 69 Ca -0.01 1.64 -0.15 0.00 -0.01 0.00 0.00 54.79 56.26 1wge n ASP 69 Cb 0.35 -0.76 -0.08 0.00 -1.03 0.00 0.00 41.12 39.60 1wge n ASP 69 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1wge h GLN 70 N 0.00 -0.50 0.07 0.11 1.08 -1.20 -2.54 115.11 112.13 1wge h GLN 70 Ca 0.79 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 58.02 1wge h GLN 70 Cb 2.02 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 29.56 1wge h GLN 70 CO -0.79 -0.28 -0.03 0.74 -0.95 0.00 0.00 178.83 177.52 1wge h PHE 71 N -0.63 -0.08 -0.79 2.96 -1.00 0.00 -3.14 116.94 114.26 1wge h PHE 71 Ca -0.05 -0.00 0.12 0.00 2.81 0.00 0.00 57.97 60.85 1wge h PHE 71 Cb 0.46 0.03 -0.13 0.00 3.61 0.00 0.00 35.95 39.92 1wge h PHE 71 CO -0.02 0.10 -0.40 0.52 -1.61 0.00 0.00 178.31 176.90 1wge h MET 72 N -0.25 -0.09 -4.22 1.51 2.86 -0.32 -3.40 114.93 111.02 1wge h MET 72 Ca -0.01 0.01 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1wge h MET 72 Cb 0.22 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1wge h MET 72 CO 0.01 -0.06 0.98 0.00 1.06 0.00 0.00 176.91 178.91 1wge n GLY 74 N 5.29 5.84 0.01 0.00 0.00 -1.26 -4.64 105.19 110.43 1wge n GLY 74 Ca 0.40 -2.68 0.11 0.00 0.00 0.00 0.00 46.02 43.85 1wge n GLY 74 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wge n GLU 75 N -0.25 0.55 -0.99 1.61 0.00 -1.26 -4.83 120.64 115.47 1wge n GLU 75 Ca 0.40 -0.16 -0.36 0.00 0.00 0.00 0.00 57.16 57.04 1wge n GLU 75 Cb 0.37 -1.52 0.04 0.00 0.00 0.00 0.00 31.44 30.33 1wge n GLU 75 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1wge n THR 76 N -2.14 0.00 -0.13 6.31 5.66 -1.26 -4.60 114.28 118.12 1wge n THR 76 Ca -0.03 -0.45 0.25 0.00 -3.05 0.00 0.00 64.05 60.77 1wge n THR 76 Cb 0.53 -0.02 0.46 0.00 -1.55 0.00 0.00 70.33 69.74 1wge n THR 76 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 1wge h VAL 77 N -1.02 0.05 -1.54 1.08 -1.51 -2.02 -3.29 116.25 107.99 1wge h VAL 77 Ca -0.44 0.00 -0.60 0.00 -1.23 0.00 0.00 66.70 64.44 1wge h VAL 77 Cb 1.31 0.10 -0.10 0.00 -2.13 0.00 0.00 31.29 30.46 1wge h VAL 77 CO 0.23 0.00 1.32 -0.55 -1.23 0.00 0.00 177.57 177.34 1wge s SER 78 N -3.68 6.43 0.00 4.19 0.15 -1.26 -4.87 113.70 114.66 1wge s SER 78 Ca -0.03 -1.27 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1wge s SER 78 Cb 0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1wge s SER 78 CO 0.45 -1.54 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1wge n GLY 79 N 6.40 0.64 0.06 9.45 0.00 -1.24 -4.77 105.19 115.72 1wge n GLY 79 Ca 0.25 -1.06 0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.62 0.09 -3.33 1.61 -0.04 -1.26 -4.89 135.00 126.56 1wge n PRO 80 Ca 0.00 0.33 -0.18 0.00 -0.04 0.00 0.00 63.50 63.61 1wge n PRO 80 Cb 0.00 -1.66 0.07 0.00 -0.04 0.00 0.00 33.50 31.86 1wge n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wge n SER 81 N -1.83 -4.75 -3.96 3.54 7.64 -1.26 -5.02 113.62 107.98 1wge n SER 81 Ca 0.03 -0.45 -0.18 0.00 1.01 0.00 0.00 58.87 59.28 1wge n SER 81 Cb 0.19 -4.15 -0.15 0.00 -1.01 0.00 0.00 64.21 59.09 1wge n SER 81 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wge s SER 82 N -3.44 0.84 0.00 6.43 0.01 -1.26 -5.25 113.70 111.03 1wge s SER 82 Ca 0.37 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1wge s SER 82 Cb -0.16 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1wge s SER 82 CO 0.58 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.89