#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wge h SER 2 N 0.00 0.00 -0.33 1.61 0.02 -2.08 -3.38 113.55 109.38 1wge h SER 2 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1wge h SER 2 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1wge h SER 2 CO 0.00 0.56 0.20 -0.24 -1.14 0.00 0.00 176.83 176.21 1wge n SER 3 N -4.19 5.99 -3.04 3.07 2.88 -1.26 -4.86 113.62 112.21 1wge n SER 3 Ca -0.04 -2.81 -0.08 0.00 -1.33 0.00 0.00 58.87 54.61 1wge n SER 3 Cb 0.16 -1.13 0.01 0.00 -0.75 0.00 0.00 64.21 62.49 1wge n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wge n GLY 4 N 0.98 -1.58 1.66 0.46 0.00 -1.26 -4.76 105.19 100.69 1wge n GLY 4 Ca 0.23 0.52 -0.05 0.00 0.00 0.00 0.00 46.02 46.73 1wge n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wge n SER 5 N 0.64 5.48 -4.67 1.61 2.88 -1.26 -4.90 113.62 113.40 1wge n SER 5 Ca 0.00 -2.52 -0.43 0.00 -1.33 0.00 0.00 58.87 54.60 1wge n SER 5 Cb 0.36 -1.18 -0.02 0.00 -0.75 0.00 0.00 64.21 62.62 1wge n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wge s SER 6 N 1.76 6.91 -0.32 -3.46 0.15 -1.26 -4.88 113.70 112.60 1wge s SER 6 Ca 0.17 1.83 0.07 0.00 0.70 0.00 0.00 55.95 58.73 1wge s SER 6 Cb 0.10 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.32 1wge s SER 6 CO -0.01 -0.76 1.29 0.61 1.20 0.00 0.00 173.24 175.57 1wge n GLY 7 N 3.66 6.14 2.90 9.45 0.00 -1.26 -4.99 105.19 121.09 1wge n GLY 7 Ca 0.14 -2.41 -0.14 0.00 0.00 0.00 0.00 46.02 43.61 1wge n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wge s MET 8 N -3.56 0.07 -0.76 1.61 0.00 -1.26 -5.10 119.30 110.30 1wge s MET 8 Ca 0.51 0.26 -0.26 0.00 0.00 0.00 0.00 55.69 56.20 1wge s MET 8 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 34.83 35.12 1wge s MET 8 CO 0.02 -0.12 1.62 0.00 0.00 0.00 0.00 175.02 176.54 1wge s ALA 9 N 0.84 2.36 -0.34 3.16 0.00 -1.26 -4.94 121.76 121.58 1wge s ALA 9 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1wge s ALA 9 Cb -0.09 -4.36 0.08 0.00 0.00 0.00 0.00 23.12 18.75 1wge s ALA 9 CO -0.04 -3.80 0.05 0.54 0.00 0.00 0.00 175.76 172.52 1wge s VAL 10 N 7.54 2.73 0.35 0.00 0.11 -1.26 -5.10 120.40 124.77 1wge s VAL 10 Ca 0.54 -1.89 0.07 0.00 -2.93 0.00 0.00 61.98 57.77 1wge s VAL 10 Cb -0.08 -2.79 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 1wge s VAL 10 CO 0.11 -0.40 0.31 -0.36 -3.33 0.00 0.00 175.10 171.43 1wge s PHE 11 N 1.09 2.87 -0.19 1.54 0.40 -1.26 -4.58 117.98 117.86 1wge s PHE 11 Ca 0.03 -0.33 -0.09 0.00 -0.60 0.00 0.00 56.93 55.94 1wge s PHE 11 Cb -0.20 -1.86 -0.21 0.00 0.51 0.00 0.00 43.02 41.26 1wge s PHE 11 CO -0.05 0.13 0.13 1.58 0.70 0.00 0.00 175.22 177.72 1wge n HIS 12 N -1.40 0.81 -3.64 0.36 -0.00 -1.12 -5.02 115.22 105.21 1wge n HIS 12 Ca -0.01 0.22 -0.05 0.00 -0.00 0.00 0.00 57.72 57.88 1wge n HIS 12 Cb 0.60 -1.10 -0.07 0.00 -0.00 0.00 0.00 29.99 29.42 1wge n HIS 12 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wge s ASP 13 N -6.94 -0.20 -0.50 0.26 1.01 -1.26 -5.10 116.67 103.94 1wge s ASP 13 Ca -0.28 0.38 -0.26 0.00 0.71 0.00 0.00 52.55 53.10 1wge s ASP 13 Cb 0.08 0.38 0.03 0.00 1.01 0.00 0.00 42.92 44.42 1wge s ASP 13 CO 0.67 -0.07 0.99 -1.61 0.21 0.00 0.00 175.17 175.35 1wge s GLU 14 N 0.04 3.50 -0.00 8.23 2.02 -1.26 -3.28 118.70 127.94 1wge s GLU 14 Ca 0.06 0.11 0.04 0.00 0.02 0.00 0.00 54.97 55.19 1wge s GLU 14 Cb -0.05 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.18 1wge s GLU 14 CO -0.12 -1.37 -0.11 0.08 0.02 0.00 0.00 175.26 173.76 1wge s VAL 15 N 4.04 3.32 0.11 2.63 1.01 0.55 -4.90 120.40 127.15 1wge s VAL 15 Ca 0.37 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1wge s VAL 15 Cb -0.10 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1wge s VAL 15 CO 0.25 0.44 0.91 -1.61 0.00 0.00 0.00 175.10 175.09 1wge s GLU 16 N -1.22 4.66 0.55 2.72 2.02 -1.26 -0.03 118.70 126.14 1wge s GLU 16 Ca 0.15 1.36 0.35 0.00 0.02 0.00 0.00 54.97 56.85 1wge s GLU 16 Cb -0.11 -3.36 1.50 0.00 0.10 0.00 0.00 34.13 32.26 1wge s GLU 16 CO 0.05 0.26 1.80 0.97 0.02 0.00 0.00 175.26 178.36 1wge h ILE 17 N 3.98 0.39 -0.86 -1.63 6.09 -1.58 0.26 117.51 124.17 1wge h ILE 17 Ca -0.43 0.00 0.24 0.00 -1.37 0.00 0.00 64.86 63.29 1wge h ILE 17 Cb 1.21 0.43 -0.04 0.00 0.47 0.00 0.00 36.82 38.89 1wge h ILE 17 CO 0.71 0.00 0.61 -0.33 -3.07 0.00 0.00 178.15 176.07 1wge h GLU 18 N 0.00 0.09 0.01 2.19 5.08 -1.91 0.27 114.58 120.31 1wge h GLU 18 Ca 0.50 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.61 1wge h GLU 18 Cb 2.09 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.29 1wge h GLU 18 CO -0.01 0.06 -1.27 -0.44 -1.00 0.00 0.00 179.01 176.35 1wge h ASP 19 N 0.09 0.03 -3.69 1.42 3.32 -0.86 -3.47 116.42 113.27 1wge h ASP 19 Ca 0.42 -0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.89 1wge h ASP 19 Cb 1.52 -0.01 0.20 0.00 0.22 0.00 0.00 39.33 41.25 1wge h ASP 19 CO -0.05 1.03 -0.18 0.49 -1.72 0.00 0.00 179.24 178.81 1wge n PHE 20 N -3.26 -0.25 -3.49 4.55 3.01 0.96 -4.95 117.46 114.04 1wge n PHE 20 Ca -0.07 0.33 -0.42 0.00 1.01 0.00 0.00 57.45 58.30 1wge n PHE 20 Cb 0.99 -1.93 -0.07 0.00 -0.01 0.00 0.00 39.48 38.46 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 -3.68 2.82 0.15 -1.08 0.74 -0.51 -4.85 119.66 113.25 1wge s GLN 21 Ca 0.65 -2.03 -0.30 0.00 0.05 0.00 0.00 55.36 53.73 1wge s GLN 21 Cb -0.27 -4.07 -0.07 0.00 1.10 0.00 0.00 33.01 29.71 1wge s GLN 21 CO 0.59 -1.23 1.11 -0.47 -0.55 0.00 0.00 175.29 174.74 1wge s TYR 22 N 0.92 3.57 -0.36 1.67 5.04 -1.26 -1.81 117.35 125.12 1wge s TYR 22 Ca 0.10 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 56.30 1wge s TYR 22 Cb -0.22 -3.29 0.10 0.00 0.35 0.00 0.00 41.96 38.90 1wge s TYR 22 CO -0.02 -0.67 0.09 0.34 -1.34 0.00 0.00 175.55 173.94 1wge s ASP 23 N 0.13 4.92 0.64 4.32 -1.08 -0.12 -4.95 116.67 120.53 1wge s ASP 23 Ca 0.51 -2.04 0.24 0.00 -0.52 0.00 0.00 52.55 50.74 1wge s ASP 23 Cb -0.29 -1.70 1.23 0.00 -1.46 0.00 0.00 42.92 40.70 1wge s ASP 23 CO 0.34 -0.42 1.69 1.05 0.52 0.00 0.00 175.17 178.34 1wge h GLU 24 N 7.78 0.00 0.50 4.34 4.11 -1.95 0.48 114.58 129.84 1wge h GLU 24 Ca -0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1wge h GLU 24 Cb 1.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1wge h GLU 24 CO 0.58 0.00 -0.46 0.22 0.07 0.00 0.00 179.01 179.42 1wge h ASP 25 N 0.00 -1.25 -0.13 3.06 3.58 -1.95 -3.25 116.42 116.49 1wge h ASP 25 Ca 0.12 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 1wge h ASP 25 Cb 1.30 0.41 -0.02 0.00 1.72 0.00 0.00 39.33 42.74 1wge h ASP 25 CO -0.00 -0.62 -0.08 -1.20 -2.88 0.00 0.00 179.24 174.46 1wge n SER 26 N -5.24 2.73 -4.46 2.28 7.64 -0.64 -4.97 113.62 110.96 1wge n SER 26 Ca -0.11 -3.28 -0.39 0.00 1.01 0.00 0.00 58.87 56.09 1wge n SER 26 Cb 0.43 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.08 -1.04 -4.73 1.43 1.02 0.16 -4.83 120.64 111.56 1wge n GLU 27 Ca 0.20 0.16 -0.27 0.00 -0.02 0.00 0.00 57.16 57.23 1wge n GLU 27 Cb 0.78 -4.49 -0.14 0.00 -0.02 0.00 0.00 31.44 27.56 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 -3.53 1.86 0.40 2.62 2.01 -1.17 -1.69 115.64 116.14 1wge s THR 28 Ca 0.62 -1.29 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1wge s THR 28 Cb -0.36 -1.61 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1wge s THR 28 CO 1.01 0.26 0.60 -0.31 -0.69 0.00 0.00 174.62 175.49 1wge s TYR 29 N -0.81 3.22 0.05 4.92 1.51 -1.11 -0.95 117.35 124.17 1wge s TYR 29 Ca 0.09 0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 56.25 1wge s TYR 29 Cb -0.09 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 1wge s TYR 29 CO 0.02 -0.20 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.16 1wge s PHE 30 N -2.41 0.49 -0.20 2.71 0.08 -0.75 -3.18 117.98 114.72 1wge s PHE 30 Ca 0.46 -0.92 -0.21 0.00 0.12 0.00 0.00 56.93 56.39 1wge s PHE 30 Cb -0.10 -0.35 0.06 0.00 -0.57 0.00 0.00 43.02 42.06 1wge s PHE 30 CO 0.36 -0.31 0.58 -0.47 -0.10 0.00 0.00 175.22 175.28 1wge s TYR 31 N -3.25 -0.62 -0.15 0.36 5.04 -1.19 -1.42 117.35 116.12 1wge s TYR 31 Ca 0.01 1.47 -0.29 0.00 -2.44 0.00 0.00 57.07 55.83 1wge s TYR 31 Cb 0.03 0.23 -0.03 0.00 0.35 0.00 0.00 41.96 42.54 1wge s TYR 31 CO -0.07 -0.34 1.56 -1.25 -1.34 0.00 0.00 175.55 174.11 1wge s PRO 32 N 0.10 4.01 -0.04 4.97 0.04 -1.26 0.32 135.00 143.13 1wge s PRO 32 Ca -0.02 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 1wge s PRO 32 Cb -0.04 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.48 1wge s PRO 32 CO 0.02 -1.04 0.41 0.00 0.04 0.00 0.00 177.00 176.43 1wge n PRO 34 N 2.37 0.49 -0.04 0.00 -0.04 -1.26 -2.62 135.00 133.90 1wge n PRO 34 Ca -0.12 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.28 1wge n PRO 34 Cb 0.52 -1.02 -0.04 0.00 -0.04 0.00 0.00 33.50 32.92 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 3.11 -1.09 3.76 0.00 0.00 -1.08 -5.07 105.19 104.83 1wge n GLY 36 Ca -0.14 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.01 5.54 -0.08 1.61 1.11 -1.26 -4.55 116.67 117.03 1wge s ASP 37 Ca 0.00 2.53 -0.23 0.00 0.18 0.00 0.00 52.55 55.03 1wge s ASP 37 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1wge s ASP 37 CO 0.00 -1.37 0.66 0.20 1.18 0.00 0.00 175.17 175.85 1wge s ASN 38 N -1.24 6.93 1.07 0.27 0.01 -1.26 -3.50 114.94 117.22 1wge s ASN 38 Ca 0.70 1.11 -0.20 0.00 -0.71 0.00 0.00 52.86 53.77 1wge s ASN 38 Cb -0.34 -2.39 0.02 0.00 0.41 0.00 0.00 41.25 38.94 1wge s ASN 38 CO 0.40 -0.11 -0.37 0.49 -1.51 0.00 0.00 177.10 176.00 1wge n PHE 39 N 3.84 -1.55 -3.65 2.20 3.72 0.15 -4.67 117.46 117.50 1wge n PHE 39 Ca -0.02 0.27 -0.06 0.00 -0.05 0.00 0.00 57.45 57.58 1wge n PHE 39 Cb 0.51 -1.53 -0.07 0.00 -0.94 0.00 0.00 39.48 37.45 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 -2.18 -1.84 -0.17 4.37 0.00 -1.19 -3.15 121.76 117.60 1wge s ALA 40 Ca 0.51 2.34 -0.04 0.00 0.00 0.00 0.00 51.96 54.76 1wge s ALA 40 Cb -0.07 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.66 1wge s ALA 40 CO 0.67 -0.48 0.13 -1.50 0.00 0.00 0.00 175.76 174.58 1wge s ILE 41 N 1.87 -0.18 0.16 0.00 2.07 -1.19 -3.68 121.20 120.26 1wge s ILE 41 Ca -0.09 -0.07 -0.33 0.00 -1.41 0.00 0.00 60.65 58.75 1wge s ILE 41 Cb -0.07 -0.56 -0.13 0.00 0.13 0.00 0.00 42.46 41.84 1wge s ILE 41 CO -0.19 -0.20 1.70 0.35 -1.91 0.00 0.00 174.94 174.69 1wge n THR 42 N 5.30 0.09 -0.33 4.00 -2.24 -1.26 -2.75 114.28 117.09 1wge n THR 42 Ca -0.06 -0.02 0.24 0.00 -2.27 0.00 0.00 64.05 61.94 1wge n THR 42 Cb 0.49 -1.83 0.48 0.00 -2.10 0.00 0.00 70.33 67.37 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 6.87 0.26 -0.75 -0.78 3.11 -1.65 0.53 116.57 124.17 1wge h LYS 43 Ca -0.45 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.48 1wge h LYS 43 Cb 1.23 -0.06 -0.08 0.00 -1.00 0.00 0.00 32.23 32.32 1wge h LYS 43 CO 0.93 0.17 0.38 1.49 -2.81 0.00 0.00 179.45 179.61 1wge h GLU 44 N 0.27 0.60 -0.26 1.90 4.81 -1.88 -1.88 114.58 118.13 1wge h GLU 44 Ca 0.74 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.97 1wge h GLU 44 Cb 1.71 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.92 1wge h GLU 44 CO -0.64 0.40 0.04 -0.44 -0.73 0.00 0.00 179.01 177.64 1wge h ASP 45 N 0.62 -0.01 -0.13 1.04 3.32 -0.27 -2.30 116.42 118.68 1wge h ASP 45 Ca 0.37 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.52 1wge h ASP 45 Cb 0.42 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1wge h ASP 45 CO -0.29 0.03 -0.34 -0.07 -1.72 0.00 0.00 179.24 176.85 1wge h LEU 46 N 0.13 -1.06 -2.03 1.55 3.38 -1.24 0.11 115.31 116.16 1wge h LEU 46 Ca 0.12 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.38 1wge h LEU 46 Cb 0.13 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1wge h LEU 46 CO -0.17 -0.37 0.37 -0.33 0.09 0.00 0.00 178.44 178.03 1wge h GLU 47 N -0.42 0.00 0.00 1.13 5.08 -1.23 0.56 114.58 119.70 1wge h GLU 47 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1wge h GLU 47 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wge h GLU 47 CO -0.36 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.74 1wge n ASN 48 N -4.16 0.00 -1.64 1.42 3.02 0.35 -4.80 115.26 109.44 1wge n ASN 48 Ca 0.08 -1.83 -0.08 0.00 -0.03 0.00 0.00 54.58 52.73 1wge n ASN 48 Cb 0.58 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.77 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 0.57 0.38 0.08 7.41 0.00 0.20 -4.99 105.19 108.83 1wge n GLY 49 Ca 0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 1wge n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wge n GLU 50 N -2.10 0.47 -3.20 1.61 -0.58 -1.00 -4.96 120.64 110.88 1wge n GLU 50 Ca -0.02 0.47 -0.21 0.00 -0.42 0.00 0.00 57.16 56.98 1wge n GLU 50 Cb 0.53 -1.65 -0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1wge n GLU 50 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1wge n ASP 51 N -4.58 -3.85 -3.68 1.62 5.75 -1.26 -4.93 116.55 105.62 1wge n ASP 51 Ca -0.10 -0.29 -0.22 0.00 -0.01 0.00 0.00 54.79 54.18 1wge n ASP 51 Cb 0.33 -3.19 -0.18 0.00 -1.03 0.00 0.00 41.12 37.05 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 -2.89 0.01 -0.16 2.12 1.01 -1.26 -2.11 120.40 117.11 1wge s VAL 52 Ca 0.33 0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 1wge s VAL 52 Cb -0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1wge s VAL 52 CO 0.41 0.08 0.04 0.00 0.00 0.00 0.00 175.10 175.63 1wge s ALA 53 N 2.11 3.34 -0.03 5.51 0.00 -1.24 -4.88 121.76 126.58 1wge s ALA 53 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1wge s ALA 53 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1wge s ALA 53 CO -0.05 0.25 0.06 0.99 0.00 0.00 0.00 175.76 177.02 1wge s THR 54 N 0.15 4.66 -0.14 0.00 2.01 -1.24 -3.48 115.64 117.60 1wge s THR 54 Ca 0.03 -0.34 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 1wge s THR 54 Cb -0.13 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1wge s THR 54 CO 0.01 0.43 0.30 0.00 -0.69 0.00 0.00 174.62 174.67 1wge n PRO 56 N 3.29 0.49 0.01 0.00 -0.04 -1.26 -0.17 135.00 137.32 1wge n PRO 56 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1wge n PRO 56 Cb 0.52 -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 0.24 0.04 3.54 2.88 -1.26 -4.86 113.62 113.58 1wge n SER 57 Ca 0.03 0.03 0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1wge n SER 57 Cb 0.01 -0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 63.32 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 -2.32 -3.25 -4.72 0.00 3.41 0.76 -4.91 113.62 102.59 1wge n SER 59 Ca -0.01 0.08 -0.36 0.00 -0.26 0.00 0.00 58.87 58.32 1wge n SER 59 Cb 0.53 -2.05 0.08 0.00 -0.26 0.00 0.00 64.21 62.51 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 -1.92 3.44 -0.11 1.04 1.43 -1.26 -4.31 118.68 116.98 1wge s LEU 60 Ca 0.00 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1wge s LEU 60 Cb 0.00 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.64 1wge s LEU 60 CO 0.00 -2.16 -0.11 0.27 0.23 0.00 0.00 176.35 174.58 1wge s ILE 61 N -1.69 1.21 0.25 -0.59 -4.36 -1.25 -2.65 121.20 112.12 1wge s ILE 61 Ca 0.79 -0.43 0.11 0.00 -0.26 0.00 0.00 60.65 60.85 1wge s ILE 61 Cb -0.33 -1.17 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 1wge s ILE 61 CO 0.42 0.39 -0.13 0.27 0.24 0.00 0.00 174.94 176.14 1wge s ILE 62 N 1.40 2.88 -0.33 8.37 -4.36 -1.23 -2.78 121.20 125.15 1wge s ILE 62 Ca 0.00 -2.10 -0.22 0.00 -0.26 0.00 0.00 60.65 58.07 1wge s ILE 62 Cb -0.13 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1wge s ILE 62 CO -0.06 -0.32 0.73 -0.75 0.24 0.00 0.00 174.94 174.79 1wge s LYS 63 N -3.36 3.84 -0.61 0.37 2.36 -1.21 -3.59 119.74 117.55 1wge s LYS 63 Ca 0.29 0.36 -0.23 0.00 -2.55 0.00 0.00 55.97 53.84 1wge s LYS 63 Cb -0.06 -3.77 0.06 0.00 -1.05 0.00 0.00 37.83 33.01 1wge s LYS 63 CO 0.16 -0.72 0.92 0.08 1.55 0.00 0.00 175.35 177.33 1wge s VAL 64 N 2.90 4.41 -0.74 4.02 1.01 -0.90 -0.33 120.40 130.77 1wge s VAL 64 Ca 0.29 -0.18 -0.27 0.00 0.00 0.00 0.00 61.98 61.83 1wge s VAL 64 Cb -0.14 -4.59 0.03 0.00 0.00 0.00 0.00 36.38 31.68 1wge s VAL 64 CO 0.14 -1.27 1.30 -0.63 0.00 0.00 0.00 175.10 174.64 1wge s ILE 65 N 3.85 3.72 0.13 2.22 -1.09 0.96 -4.73 121.20 126.25 1wge s ILE 65 Ca 0.24 0.38 0.03 0.00 -2.23 0.00 0.00 60.65 59.07 1wge s ILE 65 Cb -0.16 -4.90 -0.04 0.00 -1.58 0.00 0.00 42.46 35.78 1wge s ILE 65 CO 0.13 -1.84 -0.07 -0.72 -1.23 0.00 0.00 174.94 171.22 1wge s TYR 66 N 5.81 1.09 -0.70 3.97 -0.85 -1.26 -1.57 117.35 123.84 1wge s TYR 66 Ca 0.36 -0.88 -0.26 0.00 -0.52 0.00 0.00 57.07 55.77 1wge s TYR 66 Cb -0.08 -0.60 -0.02 0.00 0.38 0.00 0.00 41.96 41.64 1wge s TYR 66 CO 0.15 -0.08 1.85 -0.51 -1.52 0.00 0.00 175.55 175.44 1wge s ASP 67 N -3.11 5.30 0.17 -0.18 1.11 -1.26 -4.84 116.67 113.85 1wge s ASP 67 Ca 0.16 0.02 -0.15 0.00 0.18 0.00 0.00 52.55 52.76 1wge s ASP 67 Cb 0.04 -2.54 0.12 0.00 1.07 0.00 0.00 42.92 41.62 1wge s ASP 67 CO -0.01 -2.43 1.72 0.11 1.18 0.00 0.00 175.17 175.74 1wge h LYS 68 N 13.75 0.19 -0.83 8.23 1.57 -1.98 -0.69 116.57 136.82 1wge h LYS 68 Ca -0.17 -0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.74 1wge h LYS 68 Cb 1.12 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 1wge h LYS 68 CO 1.22 0.13 0.54 -0.44 -0.57 0.00 0.00 179.45 180.33 1wge h ASP 69 N 0.20 0.58 0.12 0.86 3.32 -1.98 0.31 116.42 119.82 1wge h ASP 69 Ca 0.20 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1wge h ASP 69 Cb 0.25 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wge h ASP 69 CO -0.27 0.30 -0.06 1.56 -1.72 0.00 0.00 179.24 179.05 1wge h GLN 70 N 0.62 -0.15 0.04 3.56 4.20 -1.55 -0.34 115.11 121.48 1wge h GLN 70 Ca 0.41 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.13 1wge h GLN 70 Cb 0.70 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1wge h GLN 70 CO -0.17 0.21 -0.02 0.74 -0.67 0.00 0.00 178.83 178.92 1wge h PHE 71 N -0.54 -0.05 -0.99 2.96 -1.00 -0.69 -2.95 116.94 113.68 1wge h PHE 71 Ca -0.02 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.80 1wge h PHE 71 Cb 0.43 0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.95 1wge h PHE 71 CO 0.05 0.13 0.65 0.52 -1.61 0.00 0.00 178.31 178.05 1wge h MET 72 N -0.22 1.20 -0.37 1.51 2.86 -0.48 -1.56 114.93 117.87 1wge h MET 72 Ca -0.01 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1wge h MET 72 Cb 0.20 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1wge h MET 72 CO 0.01 0.80 0.88 0.00 1.06 0.00 0.00 176.91 179.65 1wge n GLY 74 N -1.52 0.17 3.42 0.00 0.00 -0.59 -4.90 105.19 101.76 1wge n GLY 74 Ca 0.08 0.86 -0.20 0.00 0.00 0.00 0.00 46.02 46.75 1wge n GLY 74 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wge s GLU 75 N 7.77 1.58 0.09 1.61 2.02 -1.26 -5.14 118.70 125.37 1wge s GLU 75 Ca 1.10 -1.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 1wge s GLU 75 Cb -0.62 -0.82 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 1wge s GLU 75 CO 0.38 -0.16 0.30 0.95 0.02 0.00 0.00 175.26 176.75 1wge s THR 76 N -3.32 5.27 0.41 3.63 -4.23 -1.26 -5.07 115.64 111.07 1wge s THR 76 Ca 0.35 -0.11 -0.25 0.00 -1.18 0.00 0.00 61.69 60.50 1wge s THR 76 Cb 0.08 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.22 1wge s THR 76 CO 0.14 0.12 1.24 0.68 -0.54 0.00 0.00 174.62 176.27 1wge s VAL 77 N -1.55 2.83 -1.67 2.29 -7.23 -1.26 -3.02 120.40 110.79 1wge s VAL 77 Ca 0.37 0.71 -0.15 0.00 -1.81 0.00 0.00 61.98 61.10 1wge s VAL 77 Cb -0.13 -3.40 0.13 0.00 0.56 0.00 0.00 36.38 33.54 1wge s VAL 77 CO 0.25 0.08 0.63 -1.54 -0.31 0.00 0.00 175.10 174.21 1wge n SER 78 N 0.01 -2.23 -4.34 4.85 3.41 -1.26 -4.94 113.62 109.12 1wge n SER 78 Ca 0.04 -1.07 -0.31 0.00 -0.26 0.00 0.00 58.87 57.28 1wge n SER 78 Cb 0.45 -2.54 -0.15 0.00 -0.26 0.00 0.00 64.21 61.71 1wge n SER 78 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wge s GLY 79 N -3.56 1.35 0.18 5.00 0.00 -1.17 -5.11 107.32 104.01 1wge s GLY 79 Ca 0.57 -1.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 1wge s GLY 79 CO 0.94 -1.00 1.32 2.56 0.00 0.00 0.00 173.10 176.92 1wge s PRO 80 N -0.88 4.38 0.22 2.90 0.04 -1.26 -4.92 135.00 135.48 1wge s PRO 80 Ca 0.11 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 1wge s PRO 80 Cb -0.10 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.24 1wge s PRO 80 CO 0.01 -0.28 0.52 -1.12 0.04 0.00 0.00 177.00 176.16 1wge s SER 81 N 0.51 -0.20 -0.16 6.66 0.01 -1.26 -5.06 113.70 114.19 1wge s SER 81 Ca 0.58 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 57.19 1wge s SER 81 Cb -0.36 0.59 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 1wge s SER 81 CO 0.36 -1.10 -0.17 -1.20 0.41 0.00 0.00 173.24 171.54 1wge n SER 82 N -0.36 2.13 0.00 2.44 7.64 -1.26 -5.27 113.62 118.93 1wge n SER 82 Ca -0.07 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1wge n SER 82 Cb 0.62 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64