#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 5.14 -0.29 1.61 0.01 -1.26 -5.14 113.70 113.77 1wge s SER 2 Ca 0.00 -0.82 -0.16 0.00 1.31 0.00 0.00 55.95 56.28 1wge s SER 2 Cb 0.00 0.10 0.14 0.00 0.21 0.00 0.00 66.02 66.47 1wge s SER 2 CO 0.00 -1.17 0.92 -0.94 0.41 0.00 0.00 173.24 172.45 1wge s SER 3 N -4.53 -0.61 0.00 2.44 1.04 -1.26 -5.13 113.70 105.64 1wge s SER 3 Ca 0.56 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1wge s SER 3 Cb -0.06 1.33 0.00 0.00 0.10 0.00 0.00 66.02 67.39 1wge s SER 3 CO 0.35 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1wge n GLY 4 N 4.02 -0.02 2.78 7.32 0.00 -1.26 -5.08 105.19 112.96 1wge n GLY 4 Ca -0.17 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1wge n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wge s SER 5 N -4.00 1.16 0.14 1.61 0.15 -1.26 -5.05 113.70 106.45 1wge s SER 5 Ca 0.00 0.03 -0.30 0.00 0.70 0.00 0.00 55.95 56.38 1wge s SER 5 Cb 0.00 0.26 -0.06 0.00 -1.71 0.00 0.00 66.02 64.50 1wge s SER 5 CO 0.00 -0.29 1.56 0.28 1.20 0.00 0.00 173.24 175.99 1wge h SER 6 N 8.35 -1.68 -3.40 5.45 0.02 -2.05 -3.47 113.55 116.77 1wge h SER 6 Ca -0.15 0.23 0.33 0.00 -0.84 0.00 0.00 61.79 61.37 1wge h SER 6 Cb 1.13 0.71 -0.18 0.00 0.14 0.00 0.00 62.40 64.20 1wge h SER 6 CO 0.21 -0.39 -1.17 0.61 -1.14 0.00 0.00 176.83 174.94 1wge n GLY 7 N -1.40 -3.07 3.69 -3.77 0.00 -1.26 -4.76 105.19 94.62 1wge n GLY 7 Ca -0.02 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1wge n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wge n MET 8 N -4.29 1.97 -1.58 1.61 -0.00 -1.26 -4.80 117.12 108.77 1wge n MET 8 Ca -0.08 0.70 -0.31 0.00 -0.00 0.00 0.00 57.70 58.00 1wge n MET 8 Cb 0.66 -2.30 -0.04 0.00 -0.00 0.00 0.00 33.22 31.54 1wge n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wge s ALA 9 N -1.14 1.45 -0.30 3.17 0.00 -1.26 -4.90 121.76 118.78 1wge s ALA 9 Ca 0.58 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1wge s ALA 9 Cb -0.56 -4.40 0.08 0.00 0.00 0.00 0.00 23.12 18.24 1wge s ALA 9 CO 0.61 -4.76 -0.03 0.54 0.00 0.00 0.00 175.76 172.11 1wge s VAL 10 N 12.64 2.29 0.20 0.00 0.11 -1.26 -5.11 120.40 129.28 1wge s VAL 10 Ca 0.95 -1.91 0.06 0.00 -2.93 0.00 0.00 61.98 58.15 1wge s VAL 10 Cb -0.16 -2.49 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 1wge s VAL 10 CO 0.22 -0.27 0.15 -0.36 -3.33 0.00 0.00 175.10 171.50 1wge s PHE 11 N 1.03 3.11 -0.01 1.54 0.40 -1.26 -4.71 117.98 118.09 1wge s PHE 11 Ca -0.01 -0.06 -0.19 0.00 -0.60 0.00 0.00 56.93 56.07 1wge s PHE 11 Cb -0.20 -1.46 -0.30 0.00 0.51 0.00 0.00 43.02 41.58 1wge s PHE 11 CO -0.06 0.52 1.00 1.25 0.70 0.00 0.00 175.22 178.63 1wge h HIS 12 N 2.10 0.70 -1.44 0.36 -0.00 -1.92 -3.49 115.15 111.46 1wge h HIS 12 Ca -0.48 -0.47 0.21 0.00 -0.00 0.00 0.00 60.37 59.64 1wge h HIS 12 Cb 1.21 -0.05 -0.21 0.00 -0.00 0.00 0.00 27.41 28.37 1wge h HIS 12 CO 0.58 1.34 0.78 -0.51 -0.00 0.00 0.00 177.93 180.11 1wge s ASP 13 N -7.08 -0.17 -0.48 3.26 1.01 -1.26 -5.11 116.67 106.84 1wge s ASP 13 Ca -0.12 0.08 -0.19 0.00 0.71 0.00 0.00 52.55 53.02 1wge s ASP 13 Cb 0.03 0.16 0.05 0.00 1.01 0.00 0.00 42.92 44.16 1wge s ASP 13 CO 0.86 -0.23 0.62 -1.61 0.21 0.00 0.00 175.17 175.02 1wge s GLU 14 N -1.92 3.16 -0.05 8.23 2.02 -1.26 -3.15 118.70 125.73 1wge s GLU 14 Ca 0.07 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.35 1wge s GLU 14 Cb -0.01 -4.05 -0.03 0.00 0.10 0.00 0.00 34.13 30.15 1wge s GLU 14 CO -0.05 -1.14 -0.12 0.08 0.02 0.00 0.00 175.26 174.06 1wge s VAL 15 N 2.66 3.30 0.12 2.63 1.01 -0.39 -4.92 120.40 124.82 1wge s VAL 15 Ca 0.17 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 1wge s VAL 15 Cb -0.18 -2.31 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 1wge s VAL 15 CO 0.14 0.59 0.85 -1.61 0.00 0.00 0.00 175.10 175.07 1wge s GLU 16 N -0.77 4.63 0.51 2.72 2.02 -1.26 -0.09 118.70 126.45 1wge s GLU 16 Ca 0.12 1.27 0.36 0.00 0.02 0.00 0.00 54.97 56.74 1wge s GLU 16 Cb -0.11 -3.33 1.52 0.00 0.10 0.00 0.00 34.13 32.31 1wge s GLU 16 CO 0.01 0.37 1.73 0.97 0.02 0.00 0.00 175.26 178.36 1wge h ILE 17 N 3.75 0.31 -1.16 -1.63 6.09 -1.63 0.25 117.51 123.48 1wge h ILE 17 Ca -0.45 -0.02 0.33 0.00 -1.37 0.00 0.00 64.86 63.36 1wge h ILE 17 Cb 1.21 0.24 -0.10 0.00 0.47 0.00 0.00 36.82 38.64 1wge h ILE 17 CO 0.69 0.01 0.76 -0.33 -3.07 0.00 0.00 178.15 176.22 1wge h GLU 18 N 0.06 0.23 0.09 2.19 4.39 -1.92 0.63 114.58 120.26 1wge h GLU 18 Ca 0.68 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 60.11 1wge h GLU 18 Cb 2.52 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 31.11 1wge h GLU 18 CO -0.09 0.15 -1.18 -0.44 -1.16 0.00 0.00 179.01 176.29 1wge h ASP 19 N 0.24 0.31 -3.64 1.42 3.32 -0.88 -3.46 116.42 113.73 1wge h ASP 19 Ca 0.67 -0.33 -0.54 0.00 0.02 0.00 0.00 57.03 56.84 1wge h ASP 19 Cb 1.97 -0.10 0.19 0.00 0.22 0.00 0.00 39.33 41.61 1wge h ASP 19 CO -0.29 1.26 -0.17 0.49 -1.72 0.00 0.00 179.24 178.80 1wge n PHE 20 N -3.48 -0.20 -3.67 4.55 3.01 0.22 -4.96 117.46 112.92 1wge n PHE 20 Ca -0.06 0.34 -0.39 0.00 1.01 0.00 0.00 57.45 58.35 1wge n PHE 20 Cb 1.00 -1.95 -0.10 0.00 -0.01 0.00 0.00 39.48 38.42 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 -3.52 2.38 0.18 -1.08 0.74 -0.06 -4.81 119.66 113.49 1wge s GLN 21 Ca 0.66 -1.61 -0.30 0.00 0.05 0.00 0.00 55.36 54.16 1wge s GLN 21 Cb -0.29 -3.69 -0.08 0.00 1.10 0.00 0.00 33.01 30.05 1wge s GLN 21 CO 0.58 -1.00 1.04 -0.47 -0.55 0.00 0.00 175.29 174.88 1wge s TYR 22 N 1.31 3.72 -0.33 1.67 6.14 -1.26 -1.05 117.35 127.55 1wge s TYR 22 Ca 0.04 1.72 0.04 0.00 0.64 0.00 0.00 57.07 59.50 1wge s TYR 22 Cb -0.23 -3.17 0.10 0.00 0.42 0.00 0.00 41.96 39.08 1wge s TYR 22 CO -0.01 -0.21 0.04 0.34 0.64 0.00 0.00 175.55 176.35 1wge s ASP 23 N -0.34 4.68 0.57 4.32 -1.08 -0.55 -4.96 116.67 119.31 1wge s ASP 23 Ca 0.47 -2.05 0.28 0.00 -0.52 0.00 0.00 52.55 50.73 1wge s ASP 23 Cb -0.28 -1.56 1.50 0.00 -1.46 0.00 0.00 42.92 41.12 1wge s ASP 23 CO 0.34 -0.36 1.96 1.05 0.52 0.00 0.00 175.17 178.67 1wge h GLU 24 N 7.66 0.00 -0.68 4.34 9.09 -1.95 1.33 114.58 134.38 1wge h GLU 24 Ca -0.06 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.44 1wge h GLU 24 Cb 1.02 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 28.05 1wge h GLU 24 CO 0.51 0.00 0.32 0.22 0.05 0.00 0.00 179.01 180.11 1wge h ASP 25 N 0.00 0.39 0.00 3.06 1.82 -1.96 -3.13 116.42 116.60 1wge h ASP 25 Ca 0.21 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.91 1wge h ASP 25 Cb 1.05 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 1wge h ASP 25 CO -0.00 0.23 -0.28 -1.20 -1.61 0.00 0.00 179.24 176.37 1wge n SER 26 N -4.90 1.18 -4.03 2.28 7.64 -0.31 -5.01 113.62 110.46 1wge n SER 26 Ca 0.10 -2.57 -0.33 0.00 1.01 0.00 0.00 58.87 57.08 1wge n SER 26 Cb 0.27 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.69 -0.64 -3.95 1.43 1.02 0.44 -4.88 120.64 113.37 1wge n GLU 27 Ca 0.08 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1wge n GLU 27 Cb 0.69 -2.44 -0.15 0.00 -0.02 0.00 0.00 31.44 29.51 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 -3.97 0.15 0.63 2.62 2.01 -1.11 -2.32 115.64 113.66 1wge s THR 28 Ca 0.21 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 1wge s THR 28 Cb -0.12 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1wge s THR 28 CO 0.83 0.08 0.98 -0.31 -0.69 0.00 0.00 174.62 175.52 1wge s TYR 29 N 0.40 3.34 0.10 4.92 1.51 -0.96 -1.47 117.35 125.18 1wge s TYR 29 Ca -0.04 0.87 -0.01 0.00 -1.01 0.00 0.00 57.07 56.88 1wge s TYR 29 Cb -0.06 -2.84 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 1wge s TYR 29 CO -0.01 -0.91 0.03 -0.06 -1.11 0.00 0.00 175.55 173.49 1wge s PHE 30 N -3.14 0.73 -0.25 2.71 0.08 -0.22 -2.87 117.98 115.03 1wge s PHE 30 Ca 0.55 -1.16 -0.26 0.00 0.12 0.00 0.00 56.93 56.18 1wge s PHE 30 Cb -0.11 -0.44 0.09 0.00 -0.57 0.00 0.00 43.02 42.00 1wge s PHE 30 CO 0.48 -0.47 0.84 -0.47 -0.10 0.00 0.00 175.22 175.50 1wge s TYR 31 N -4.00 -0.65 -0.18 0.36 5.04 -1.18 -0.88 117.35 115.87 1wge s TYR 31 Ca 0.18 1.52 -0.29 0.00 -2.44 0.00 0.00 57.07 56.04 1wge s TYR 31 Cb 0.08 0.32 -0.03 0.00 0.35 0.00 0.00 41.96 42.68 1wge s TYR 31 CO -0.02 -0.34 1.58 -1.25 -1.34 0.00 0.00 175.55 174.17 1wge s PRO 32 N 0.12 3.94 -0.00 4.97 0.04 -1.26 0.63 135.00 143.44 1wge s PRO 32 Ca 0.00 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 1wge s PRO 32 Cb -0.04 -3.99 -0.06 0.00 0.04 0.00 0.00 34.50 30.45 1wge s PRO 32 CO -0.01 -1.12 0.53 0.00 0.04 0.00 0.00 177.00 176.45 1wge n PRO 34 N 2.44 0.49 0.00 0.00 -0.04 -1.26 -2.58 135.00 134.05 1wge n PRO 34 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1wge n PRO 34 Cb 0.51 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 3.27 -1.22 3.77 0.00 0.00 -1.06 -5.07 105.19 104.88 1wge n GLY 36 Ca 0.00 0.44 -0.40 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.67 6.08 -0.01 1.61 1.11 -1.26 -4.52 116.67 117.01 1wge s ASP 37 Ca 0.00 2.80 -0.26 0.00 0.18 0.00 0.00 52.55 55.27 1wge s ASP 37 Cb 0.00 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1wge s ASP 37 CO 0.00 -1.02 0.80 0.20 1.18 0.00 0.00 175.17 176.33 1wge s ASN 38 N -0.61 7.17 1.06 0.27 0.01 -1.26 -3.58 114.94 118.00 1wge s ASN 38 Ca 0.59 1.41 -0.18 0.00 -0.71 0.00 0.00 52.86 53.97 1wge s ASN 38 Cb -0.41 -2.48 0.05 0.00 0.41 0.00 0.00 41.25 38.82 1wge s ASN 38 CO 0.53 -0.12 -0.06 0.49 -1.51 0.00 0.00 177.10 176.43 1wge n PHE 39 N 3.51 -1.61 -3.66 2.20 3.72 0.20 -4.69 117.46 117.13 1wge n PHE 39 Ca 0.00 0.20 -0.07 0.00 -0.05 0.00 0.00 57.45 57.53 1wge n PHE 39 Cb 0.51 -1.60 -0.08 0.00 -0.94 0.00 0.00 39.48 37.37 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 -2.25 -1.66 -0.17 4.37 0.00 -1.13 -3.08 121.76 117.84 1wge s ALA 40 Ca 0.54 2.15 -0.04 0.00 0.00 0.00 0.00 51.96 54.61 1wge s ALA 40 Cb -0.13 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.72 1wge s ALA 40 CO 0.67 -0.45 0.17 -1.50 0.00 0.00 0.00 175.76 174.66 1wge s ILE 41 N 1.81 -0.25 0.25 0.00 2.07 -1.14 -3.68 121.20 120.27 1wge s ILE 41 Ca -0.09 -0.04 -0.31 0.00 -1.41 0.00 0.00 60.65 58.80 1wge s ILE 41 Cb -0.07 -0.58 -0.12 0.00 0.13 0.00 0.00 42.46 41.82 1wge s ILE 41 CO -0.18 -0.16 1.64 0.35 -1.91 0.00 0.00 174.94 174.68 1wge n THR 42 N 5.31 0.59 -0.33 4.00 -2.24 -1.26 -2.28 114.28 118.07 1wge n THR 42 Ca -0.06 -0.15 0.19 0.00 -2.27 0.00 0.00 64.05 61.77 1wge n THR 42 Cb 0.49 -1.94 0.40 0.00 -2.10 0.00 0.00 70.33 67.18 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 5.59 0.37 -0.74 -0.78 3.11 -1.80 0.30 116.57 122.61 1wge h LYS 43 Ca -0.45 -0.02 0.12 0.00 -2.81 0.00 0.00 60.65 57.48 1wge h LYS 43 Cb 1.22 -0.08 -0.08 0.00 -1.00 0.00 0.00 32.23 32.28 1wge h LYS 43 CO 0.86 0.25 0.33 1.49 -2.81 0.00 0.00 179.45 179.57 1wge h GLU 44 N 0.38 0.51 -0.24 1.90 4.57 -1.89 -1.58 114.58 118.24 1wge h GLU 44 Ca 0.66 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.84 1wge h GLU 44 Cb 1.40 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 1wge h GLU 44 CO -0.57 0.34 0.07 -0.44 -1.18 0.00 0.00 179.01 177.23 1wge h ASP 45 N 0.53 0.06 -0.04 1.04 5.19 -0.76 -1.79 116.42 120.64 1wge h ASP 45 Ca 0.39 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.86 1wge h ASP 45 Cb 0.51 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.99 1wge h ASP 45 CO -0.34 0.07 -0.34 -0.07 -3.12 0.00 0.00 179.24 175.44 1wge h LEU 46 N 0.17 -1.03 -1.19 1.55 3.38 -1.17 -0.96 115.31 116.05 1wge h LEU 46 Ca 0.11 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.35 1wge h LEU 46 Cb 0.09 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1wge h LEU 46 CO -0.12 -0.39 0.59 -0.33 0.09 0.00 0.00 178.44 178.28 1wge h GLU 47 N -0.47 0.78 0.00 1.13 5.08 -1.24 0.44 114.58 120.30 1wge h GLU 47 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1wge h GLU 47 Cb 0.57 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wge h GLU 47 CO -0.30 0.51 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 1wge n ASN 48 N -4.58 0.01 -0.15 1.42 3.02 -0.45 -4.79 115.26 109.75 1wge n ASN 48 Ca 0.18 0.50 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 1wge n ASN 48 Cb 0.42 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.47 1.09 0.07 7.41 0.00 0.16 -5.03 105.19 108.41 1wge n GLY 49 Ca 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.00 -6.10 1.61 4.39 -1.33 -3.48 114.58 109.67 1wge h GLU 50 Ca 0.00 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.24 1wge h GLU 50 Cb 0.43 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 1wge h GLU 50 CO 0.00 0.33 -0.70 -0.40 -1.16 0.00 0.00 179.01 177.08 1wge n ASP 51 N -4.62 -3.95 -3.75 1.42 5.75 -1.26 -4.94 116.55 105.19 1wge n ASP 51 Ca -0.11 -0.70 -0.19 0.00 -0.01 0.00 0.00 54.79 53.79 1wge n ASP 51 Cb 0.31 -3.21 -0.17 0.00 -1.03 0.00 0.00 41.12 37.02 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 -3.15 0.07 -0.23 2.12 1.01 -1.26 -2.59 120.40 116.38 1wge s VAL 52 Ca 0.59 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 1wge s VAL 52 Cb -0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1wge s VAL 52 CO 0.73 0.16 0.03 0.00 0.00 0.00 0.00 175.10 176.02 1wge s ALA 53 N 1.56 3.06 -0.02 5.51 0.00 -1.14 -4.82 121.76 125.91 1wge s ALA 53 Ca -0.02 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 1wge s ALA 53 Cb -0.13 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1wge s ALA 53 CO -0.03 -0.40 0.22 0.99 0.00 0.00 0.00 175.76 176.54 1wge s THR 54 N 1.44 5.38 -0.19 0.00 2.01 -1.24 -3.30 115.64 119.74 1wge s THR 54 Ca 0.05 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 1wge s THR 54 Cb -0.15 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1wge s THR 54 CO 0.02 0.40 0.10 0.00 -0.69 0.00 0.00 174.62 174.44 1wge n PRO 56 N 3.53 0.49 0.01 0.00 -0.04 -1.26 -0.04 135.00 137.68 1wge n PRO 56 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1wge n PRO 56 Cb 0.52 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.65 0.45 0.02 3.54 2.88 -1.26 -4.86 113.62 113.73 1wge n SER 57 Ca 0.04 0.06 0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1wge n SER 57 Cb 0.02 -0.19 -0.11 0.00 -0.75 0.00 0.00 64.21 63.18 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 -2.44 -2.45 -4.75 0.00 7.64 0.94 -4.92 113.62 107.64 1wge n SER 59 Ca -0.04 0.02 -0.36 0.00 1.01 0.00 0.00 58.87 59.49 1wge n SER 59 Cb 0.60 -1.61 0.03 0.00 -1.01 0.00 0.00 64.21 62.22 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 -1.46 3.70 -0.13 -3.43 1.43 -1.26 -4.38 118.68 113.15 1wge s LEU 60 Ca 0.00 2.43 0.01 0.00 -1.03 0.00 0.00 54.13 55.54 1wge s LEU 60 Cb 0.00 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.69 1wge s LEU 60 CO 0.00 -1.57 -0.14 0.27 0.23 0.00 0.00 176.35 175.14 1wge s ILE 61 N -1.55 1.49 0.14 -0.59 -4.36 -1.24 -2.70 121.20 112.39 1wge s ILE 61 Ca 0.76 -0.61 0.10 0.00 -0.26 0.00 0.00 60.65 60.65 1wge s ILE 61 Cb -0.32 -1.39 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 1wge s ILE 61 CO 0.35 0.44 -0.23 0.27 0.24 0.00 0.00 174.94 176.01 1wge s ILE 62 N 1.28 2.06 -0.26 8.37 -4.36 -1.21 -2.77 121.20 124.31 1wge s ILE 62 Ca -0.00 -1.78 -0.25 0.00 -0.26 0.00 0.00 60.65 58.36 1wge s ILE 62 Cb -0.14 -1.88 -0.00 0.00 1.25 0.00 0.00 42.46 41.69 1wge s ILE 62 CO -0.06 -0.05 0.87 -0.75 0.24 0.00 0.00 174.94 175.18 1wge s LYS 63 N -2.25 4.15 -0.58 0.37 2.47 -1.19 -2.88 119.74 119.84 1wge s LYS 63 Ca 0.13 0.96 -0.21 0.00 -1.56 0.00 0.00 55.97 55.29 1wge s LYS 63 Cb -0.09 -3.66 0.07 0.00 -1.46 0.00 0.00 37.83 32.68 1wge s LYS 63 CO 0.06 -0.59 0.83 0.08 0.16 0.00 0.00 175.35 175.90 1wge s VAL 64 N 2.97 4.56 -0.71 4.02 1.01 -1.07 -1.26 120.40 129.92 1wge s VAL 64 Ca 0.37 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1wge s VAL 64 Cb -0.15 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.72 1wge s VAL 64 CO 0.08 -1.15 1.62 -0.63 0.00 0.00 0.00 175.10 175.03 1wge s ILE 65 N 3.44 3.54 0.16 2.22 -1.09 0.86 -4.71 121.20 125.62 1wge s ILE 65 Ca 0.21 0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.84 1wge s ILE 65 Cb -0.18 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.27 1wge s ILE 65 CO 0.12 -1.34 -0.11 -0.72 -1.23 0.00 0.00 174.94 171.66 1wge s TYR 66 N 7.64 1.37 -0.71 3.97 -0.85 -1.26 -1.79 117.35 125.72 1wge s TYR 66 Ca 0.54 -0.69 -0.26 0.00 -0.52 0.00 0.00 57.07 56.13 1wge s TYR 66 Cb -0.09 -0.68 -0.01 0.00 0.38 0.00 0.00 41.96 41.56 1wge s TYR 66 CO 0.14 0.15 1.70 -0.51 -1.52 0.00 0.00 175.55 175.51 1wge s ASP 67 N -3.11 5.56 0.25 -0.18 1.01 -1.26 -4.81 116.67 114.13 1wge s ASP 67 Ca 0.17 -0.11 0.13 0.00 0.71 0.00 0.00 52.55 53.45 1wge s ASP 67 Cb 0.01 -2.54 0.72 0.00 1.01 0.00 0.00 42.92 42.11 1wge s ASP 67 CO 0.02 -2.23 1.34 0.29 0.21 0.00 0.00 175.17 174.79 1wge n LYS 68 N 9.18 0.09 0.07 8.23 5.02 -1.26 -0.68 118.16 138.80 1wge n LYS 68 Ca 0.19 0.55 -0.21 0.00 -2.02 0.00 0.00 58.31 56.82 1wge n LYS 68 Cb 0.51 -1.94 -0.12 0.00 -0.02 0.00 0.00 35.03 33.45 1wge n LYS 68 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1wge h ASP 69 N 0.00 0.86 0.74 4.39 3.32 -1.91 -0.26 116.42 123.56 1wge h ASP 69 Ca 0.00 -0.80 -0.15 0.00 0.02 0.00 0.00 57.03 56.10 1wge h ASP 69 Cb 0.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1wge h ASP 69 CO 0.00 1.56 -0.70 0.06 -1.72 0.00 0.00 179.24 178.44 1wge h GLN 70 N 0.26 0.00 0.04 3.56 3.07 -1.09 0.27 115.11 121.22 1wge h GLN 70 Ca -0.16 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.47 1wge h GLN 70 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.37 1wge h GLN 70 CO 0.22 0.70 -0.50 0.74 0.09 0.00 0.00 178.83 180.08 1wge h PHE 71 N 0.00 0.17 0.00 0.06 -1.00 -1.54 -3.39 116.94 111.25 1wge h PHE 71 Ca -0.01 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.65 1wge h PHE 71 Cb 1.26 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.81 1wge h PHE 71 CO 0.00 1.19 -0.15 0.52 -1.61 0.00 0.00 178.31 178.27 1wge h MET 72 N -0.78 0.00 -5.32 1.51 2.86 -1.12 -3.41 114.93 108.67 1wge h MET 72 Ca -0.11 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.86 1wge h MET 72 Cb 1.27 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.86 1wge h MET 72 CO 0.01 0.00 2.38 0.00 1.06 0.00 0.00 176.91 180.37 1wge n GLY 74 N 5.06 1.16 3.06 0.00 0.00 -1.25 -4.33 105.19 108.89 1wge n GLY 74 Ca 0.50 0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.93 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 0.49 0.23 1.61 -6.30 -1.26 -4.92 118.70 108.55 1wge s GLU 75 Ca 0.00 0.74 -0.26 0.00 -2.50 0.00 0.00 54.97 52.95 1wge s GLU 75 Cb 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 34.13 34.17 1wge s GLU 75 CO 0.00 -0.71 0.86 0.95 0.02 0.00 0.00 175.26 176.38 1wge s THR 76 N 2.73 4.27 -0.51 -1.70 -4.23 -1.26 -4.95 115.64 110.00 1wge s THR 76 Ca 0.16 1.78 -0.26 0.00 -1.18 0.00 0.00 61.69 62.19 1wge s THR 76 Cb -0.14 -4.12 -0.06 0.00 1.34 0.00 0.00 72.50 69.52 1wge s THR 76 CO -0.21 0.37 2.32 -0.69 -0.54 0.00 0.00 174.62 175.88 1wge s VAL 77 N -1.33 3.06 -0.13 2.29 1.01 -1.26 -4.87 120.40 119.17 1wge s VAL 77 Ca 0.42 0.03 -0.37 0.00 0.00 0.00 0.00 61.98 62.06 1wge s VAL 77 Cb -0.22 -3.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 1wge s VAL 77 CO 0.26 -0.15 1.74 -0.24 0.00 0.00 0.00 175.10 176.71 1wge n SER 78 N 15.39 2.77 -3.45 3.32 2.88 -1.26 -4.93 113.62 128.33 1wge n SER 78 Ca 0.34 1.04 -0.30 0.00 -1.33 0.00 0.00 58.87 58.62 1wge n SER 78 Cb 0.54 -1.26 0.29 0.00 -0.75 0.00 0.00 64.21 63.04 1wge n SER 78 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wge s GLY 79 N 3.19 1.41 0.00 0.46 0.00 -1.26 -4.84 107.32 106.28 1wge s GLY 79 Ca 0.93 -0.79 0.16 0.00 0.00 0.00 0.00 44.72 45.02 1wge s GLY 79 CO 0.56 0.22 1.35 -1.55 0.00 0.00 0.00 173.10 173.69 1wge n PRO 80 N -5.67 0.46 -0.04 2.90 -0.04 -1.26 -3.15 135.00 128.20 1wge n PRO 80 Ca 0.12 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1wge n PRO 80 Cb 0.60 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 1wge n PRO 80 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wge h SER 81 N 0.00 0.27 -5.05 3.54 0.02 -2.01 -3.47 113.55 106.85 1wge h SER 81 Ca 0.00 -0.48 0.08 0.00 -0.84 0.00 0.00 61.79 60.55 1wge h SER 81 Cb 0.01 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 1wge h SER 81 CO 0.00 0.70 0.27 -0.55 -1.14 0.00 0.00 176.83 176.11 1wge s SER 82 N -6.00 -0.23 0.00 3.07 0.15 -1.19 -5.27 113.70 104.23 1wge s SER 82 Ca -0.15 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1wge s SER 82 Cb 0.04 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1wge s SER 82 CO 0.73 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 174.48