#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 2.72 -0.17 1.61 0.01 -1.26 -5.14 113.70 111.48 1wge s SER 2 Ca 0.00 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 56.48 1wge s SER 2 Cb 0.00 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1wge s SER 2 CO 0.00 0.02 -0.18 -0.94 0.41 0.00 0.00 173.24 172.56 1wge s SER 3 N -2.35 2.97 0.00 2.44 1.04 -1.26 -5.04 113.70 111.51 1wge s SER 3 Ca 0.12 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1wge s SER 3 Cb -0.08 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.67 1wge s SER 3 CO 0.06 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1wge n GLY 4 N 4.67 3.87 3.78 7.32 0.00 -1.26 -5.17 105.19 118.40 1wge n GLY 4 Ca -0.20 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 4.23 0.18 1.61 0.15 -1.26 -5.16 113.70 113.45 1wge s SER 5 Ca 0.00 -1.53 0.09 0.00 0.70 0.00 0.00 55.95 55.21 1wge s SER 5 Cb 0.00 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1wge s SER 5 CO 0.00 -0.86 -0.08 -0.94 1.20 0.00 0.00 173.24 172.56 1wge s SER 6 N -3.95 4.33 -0.57 5.45 1.04 -1.26 -4.80 113.70 113.94 1wge s SER 6 Ca 0.15 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 56.01 1wge s SER 6 Cb 0.02 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1wge s SER 6 CO 0.09 0.10 0.44 0.61 0.98 0.00 0.00 173.24 175.46 1wge n GLY 7 N 0.05 -0.85 3.01 7.32 0.00 -1.26 -4.89 105.19 108.57 1wge n GLY 7 Ca -0.11 0.47 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.94 2.31 -0.23 1.61 0.00 -1.26 -5.04 119.30 112.75 1wge s MET 8 Ca 0.02 -2.66 -0.01 0.00 0.00 0.00 0.00 55.69 53.05 1wge s MET 8 Cb -0.00 -3.52 0.06 0.00 0.00 0.00 0.00 34.83 31.37 1wge s MET 8 CO 0.65 -1.15 -0.00 0.00 0.00 0.00 0.00 175.02 174.51 1wge s ALA 9 N -0.31 1.54 -0.30 3.16 0.00 -1.26 -5.09 121.76 119.50 1wge s ALA 9 Ca 0.18 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1wge s ALA 9 Cb -0.22 -1.35 0.09 0.00 0.00 0.00 0.00 23.12 21.64 1wge s ALA 9 CO -0.03 -1.24 0.05 0.54 0.00 0.00 0.00 175.76 175.09 1wge s VAL 10 N 1.60 1.42 0.36 0.00 0.11 -1.26 -5.12 120.40 117.50 1wge s VAL 10 Ca -0.02 -1.64 0.07 0.00 -2.93 0.00 0.00 61.98 57.47 1wge s VAL 10 Cb -0.18 -1.99 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 1wge s VAL 10 CO -0.09 -0.54 0.35 -0.36 -3.33 0.00 0.00 175.10 171.13 1wge s PHE 11 N 1.36 2.88 -0.17 1.54 0.40 -1.26 -4.61 117.98 118.12 1wge s PHE 11 Ca 0.07 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1wge s PHE 11 Cb -0.18 -1.93 -0.23 0.00 0.51 0.00 0.00 43.02 41.20 1wge s PHE 11 CO -0.16 0.07 0.22 1.58 0.70 0.00 0.00 175.22 177.63 1wge n HIS 12 N -1.47 0.99 -3.62 0.36 -0.00 -1.15 -5.03 115.22 105.32 1wge n HIS 12 Ca 0.00 0.26 -0.04 0.00 -0.00 0.00 0.00 57.72 57.94 1wge n HIS 12 Cb 0.60 -1.12 -0.03 0.00 -0.00 0.00 0.00 29.99 29.43 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 -6.97 -0.13 -0.55 0.26 1.01 -1.26 -5.10 116.67 103.94 1wge s ASP 13 Ca -0.26 0.08 -0.18 0.00 0.71 0.00 0.00 52.55 52.90 1wge s ASP 13 Cb 0.07 0.11 0.09 0.00 1.01 0.00 0.00 42.92 44.20 1wge s ASP 13 CO 0.69 -0.15 0.64 -1.61 0.21 0.00 0.00 175.17 174.94 1wge s GLU 14 N -1.59 3.06 -0.02 8.23 2.02 -1.26 -2.78 118.70 126.36 1wge s GLU 14 Ca 0.07 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 53.87 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 -1.37 0.00 0.08 0.02 0.00 0.00 175.26 173.94 1wge s VAL 15 N 2.51 4.20 0.07 2.63 1.01 -0.08 -4.87 120.40 125.86 1wge s VAL 15 Ca 0.12 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 1wge s VAL 15 Cb -0.23 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1wge s VAL 15 CO 0.08 0.43 0.85 -1.61 0.00 0.00 0.00 175.10 174.86 1wge s GLU 16 N -1.39 4.58 0.62 2.72 2.02 -1.26 0.06 118.70 126.05 1wge s GLU 16 Ca 0.18 1.23 0.25 0.00 0.02 0.00 0.00 54.97 56.65 1wge s GLU 16 Cb -0.11 -3.37 1.17 0.00 0.10 0.00 0.00 34.13 31.91 1wge s GLU 16 CO 0.08 0.24 1.61 0.97 0.02 0.00 0.00 175.26 178.19 1wge h ILE 17 N 4.12 0.15 -0.79 -1.63 6.09 -1.64 0.28 117.51 124.08 1wge h ILE 17 Ca -0.43 0.00 0.16 0.00 -1.37 0.00 0.00 64.86 63.22 1wge h ILE 17 Cb 1.21 0.36 -0.05 0.00 0.47 0.00 0.00 36.82 38.80 1wge h ILE 17 CO 0.71 0.00 0.53 -0.33 -3.07 0.00 0.00 178.15 175.99 1wge h GLU 18 N 0.00 0.39 0.00 2.19 5.08 -1.91 0.61 114.58 120.94 1wge h GLU 18 Ca 0.25 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.37 1wge h GLU 18 Cb 1.77 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.89 1wge h GLU 18 CO -0.00 0.26 -1.12 -0.44 -1.00 0.00 0.00 179.01 176.71 1wge h ASP 19 N 0.40 0.00 -3.61 1.42 3.32 -0.83 -3.47 116.42 113.66 1wge h ASP 19 Ca 0.39 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.92 1wge h ASP 19 Cb 0.94 0.00 0.21 0.00 0.22 0.00 0.00 39.33 40.70 1wge h ASP 19 CO -0.13 0.98 -0.34 0.49 -1.72 0.00 0.00 179.24 178.52 1wge n PHE 20 N -3.29 -0.74 -3.76 4.55 3.01 0.20 -4.97 117.46 112.47 1wge n PHE 20 Ca -0.03 0.27 -0.37 0.00 1.01 0.00 0.00 57.45 58.32 1wge n PHE 20 Cb 0.95 -1.84 -0.12 0.00 -0.01 0.00 0.00 39.48 38.47 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 -3.96 2.30 0.19 -1.08 -0.21 -0.27 -4.85 119.66 111.78 1wge s GLN 21 Ca 0.60 -1.55 -0.30 0.00 0.02 0.00 0.00 55.36 54.13 1wge s GLN 21 Cb -0.21 -3.54 -0.08 0.00 1.00 0.00 0.00 33.01 30.18 1wge s GLN 21 CO 0.64 -0.91 1.04 -0.47 -2.12 0.00 0.00 175.29 173.47 1wge s TYR 22 N 1.26 3.72 -0.31 0.91 5.04 -1.26 -1.27 117.35 125.43 1wge s TYR 22 Ca 0.03 1.72 0.01 0.00 -2.44 0.00 0.00 57.07 56.40 1wge s TYR 22 Cb -0.22 -3.17 0.09 0.00 0.35 0.00 0.00 41.96 39.01 1wge s TYR 22 CO -0.01 -0.21 0.06 0.34 -1.34 0.00 0.00 175.55 174.38 1wge s ASP 23 N -0.41 4.33 0.42 4.32 -1.08 -0.62 -4.97 116.67 118.65 1wge s ASP 23 Ca 0.46 -1.81 0.20 0.00 -0.52 0.00 0.00 52.55 50.89 1wge s ASP 23 Cb -0.28 -1.24 1.14 0.00 -1.46 0.00 0.00 42.92 41.09 1wge s ASP 23 CO 0.34 -0.38 1.79 1.05 0.52 0.00 0.00 175.17 178.50 1wge h GLU 24 N 7.86 0.35 -0.90 4.34 4.11 -1.95 0.41 114.58 128.80 1wge h GLU 24 Ca -0.10 -0.02 0.17 0.00 0.07 0.00 0.00 59.36 59.48 1wge h GLU 24 Cb 1.02 -0.08 -0.17 0.00 0.50 0.00 0.00 28.75 30.03 1wge h GLU 24 CO 0.48 0.23 -0.25 -3.47 0.07 0.00 0.00 179.01 176.07 1wge n ASP 25 N -4.56 -0.38 -0.94 3.06 -0.08 -1.26 -2.05 116.55 110.34 1wge n ASP 25 Ca 0.24 1.55 0.04 0.00 -1.51 0.00 0.00 54.79 55.11 1wge n ASP 25 Cb 0.87 -0.44 0.07 0.00 2.34 0.00 0.00 41.12 43.96 1wge n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wge n SER 26 N -5.43 1.06 -4.03 1.67 7.64 -0.63 -5.01 113.62 108.89 1wge n SER 26 Ca 0.13 -2.51 -0.33 0.00 1.01 0.00 0.00 58.87 57.17 1wge n SER 26 Cb 0.43 -0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.15 -0.64 -4.25 1.43 1.02 0.13 -4.82 120.64 113.36 1wge n GLU 27 Ca 0.08 0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 57.06 1wge n GLU 27 Cb 0.90 -2.44 -0.15 0.00 -0.02 0.00 0.00 31.44 29.73 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 0.57 0.57 2.62 2.01 -1.10 -1.66 115.64 114.68 1wge s THR 28 Ca 0.21 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 1wge s THR 28 Cb -0.12 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1wge s THR 28 CO 0.83 0.18 0.88 -0.31 -0.69 0.00 0.00 174.62 175.51 1wge s TYR 29 N 0.07 3.29 0.04 4.92 1.51 -0.94 -1.59 117.35 124.64 1wge s TYR 29 Ca -0.01 0.65 -0.00 0.00 -1.01 0.00 0.00 57.07 56.71 1wge s TYR 29 Cb -0.05 -2.67 -0.03 0.00 -0.11 0.00 0.00 41.96 39.09 1wge s TYR 29 CO -0.00 -0.75 -0.03 -0.06 -1.11 0.00 0.00 175.55 173.60 1wge s PHE 30 N -2.95 0.43 -0.17 2.71 0.08 -0.39 -2.99 117.98 114.70 1wge s PHE 30 Ca 0.53 -0.83 -0.18 0.00 0.12 0.00 0.00 56.93 56.57 1wge s PHE 30 Cb -0.10 -0.31 0.05 0.00 -0.57 0.00 0.00 43.02 42.08 1wge s PHE 30 CO 0.45 -0.29 0.50 -0.47 -0.10 0.00 0.00 175.22 175.32 1wge s TYR 31 N -2.83 -0.54 -0.23 0.36 5.04 -1.15 -1.12 117.35 116.88 1wge s TYR 31 Ca -0.03 1.29 -0.29 0.00 -2.44 0.00 0.00 57.07 55.60 1wge s TYR 31 Cb 0.00 0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.48 1wge s TYR 31 CO -0.06 -0.29 1.61 -1.25 -1.34 0.00 0.00 175.55 174.23 1wge s PRO 32 N 0.12 3.78 0.02 4.97 0.04 -1.26 0.41 135.00 143.08 1wge s PRO 32 Ca -0.01 1.64 -0.20 0.00 0.04 0.00 0.00 61.00 62.47 1wge s PRO 32 Cb -0.03 -4.04 -0.06 0.00 0.04 0.00 0.00 34.50 30.41 1wge s PRO 32 CO 0.01 -1.31 0.58 0.00 0.04 0.00 0.00 177.00 176.32 1wge n PRO 34 N 2.42 0.49 -0.01 0.00 -0.04 -1.26 -2.60 135.00 133.99 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 32.86 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 3.37 -1.12 3.76 0.00 0.00 -1.07 -5.09 105.19 105.04 1wge n GLY 36 Ca -0.04 0.42 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.28 5.98 -0.05 1.61 1.11 -1.26 -4.54 116.67 117.23 1wge s ASP 37 Ca 0.00 2.74 -0.24 0.00 0.18 0.00 0.00 52.55 55.23 1wge s ASP 37 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 1wge s ASP 37 CO 0.00 -1.09 0.74 0.20 1.18 0.00 0.00 175.17 176.21 1wge s ASN 38 N -0.73 7.05 1.02 0.27 0.01 -1.26 -3.57 114.94 117.74 1wge s ASN 38 Ca 0.61 1.27 -0.17 0.00 -0.71 0.00 0.00 52.86 53.87 1wge s ASN 38 Cb -0.40 -2.44 0.02 0.00 0.41 0.00 0.00 41.25 38.85 1wge s ASN 38 CO 0.50 -0.13 -0.03 0.49 -1.51 0.00 0.00 177.10 176.42 1wge n PHE 39 N 3.76 -1.86 -3.66 2.20 3.72 0.17 -4.68 117.46 117.10 1wge n PHE 39 Ca -0.00 0.20 -0.08 0.00 -0.05 0.00 0.00 57.45 57.52 1wge n PHE 39 Cb 0.51 -1.63 -0.08 0.00 -0.94 0.00 0.00 39.48 37.34 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 -2.26 -1.49 -0.09 4.37 0.00 -1.13 -2.95 121.76 118.21 1wge s ALA 40 Ca 0.53 1.94 -0.03 0.00 0.00 0.00 0.00 51.96 54.40 1wge s ALA 40 Cb -0.15 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.72 1wge s ALA 40 CO 0.69 -0.49 0.08 -1.50 0.00 0.00 0.00 175.76 174.53 1wge s ILE 41 N 1.93 -0.11 0.25 0.00 2.07 -1.16 -3.82 121.20 120.36 1wge s ILE 41 Ca -0.08 0.20 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 1wge s ILE 41 Cb -0.08 -0.32 -0.11 0.00 0.13 0.00 0.00 42.46 42.08 1wge s ILE 41 CO -0.16 0.01 1.57 0.42 -1.91 0.00 0.00 174.94 174.86 1wge s THR 42 N 2.17 2.30 0.33 4.00 -4.23 -1.26 -2.22 115.64 116.72 1wge s THR 42 Ca 0.04 0.24 0.12 0.00 -1.18 0.00 0.00 61.69 60.91 1wge s THR 42 Cb -0.14 -3.15 0.32 0.00 1.34 0.00 0.00 72.50 70.88 1wge s THR 42 CO -0.05 0.03 1.67 0.50 -0.54 0.00 0.00 174.62 176.23 1wge h LYS 43 N 5.42 0.34 -0.35 3.99 3.11 -1.63 0.22 116.57 127.66 1wge h LYS 43 Ca -0.46 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.42 1wge h LYS 43 Cb 1.21 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 32.31 1wge h LYS 43 CO 0.83 0.23 0.03 1.49 -2.81 0.00 0.00 179.45 179.21 1wge h GLU 44 N 0.35 0.13 -0.54 1.90 4.81 -1.89 -2.08 114.58 117.26 1wge h GLU 44 Ca 0.70 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 60.03 1wge h GLU 44 Cb 1.54 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.80 1wge h GLU 44 CO -0.59 0.09 0.00 -0.44 -0.73 0.00 0.00 179.01 177.34 1wge h ASP 45 N 0.13 -0.23 0.01 1.04 3.32 -0.93 -0.98 116.42 118.78 1wge h ASP 45 Ca 0.17 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.37 1wge h ASP 45 Cb 0.22 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1wge h ASP 45 CO -0.26 -0.08 -0.16 -0.07 -1.72 0.00 0.00 179.24 176.95 1wge h LEU 46 N 0.12 -0.46 -1.02 1.55 3.38 -1.27 -1.52 115.31 116.10 1wge h LEU 46 Ca 0.27 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.45 1wge h LEU 46 Cb 0.42 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 1wge h LEU 46 CO -0.45 -0.22 0.63 -0.33 0.09 0.00 0.00 178.44 178.16 1wge h GLU 47 N -0.26 0.91 0.00 1.13 5.08 -0.79 0.47 114.58 121.12 1wge h GLU 47 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wge h GLU 47 Cb 0.33 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1wge h GLU 47 CO -0.15 0.60 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 1wge n ASN 48 N -4.64 0.08 -0.12 1.42 3.02 -0.45 -4.64 115.26 109.93 1wge n ASN 48 Ca 0.20 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.27 1wge n ASN 48 Cb 0.41 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.46 1.13 0.07 7.41 0.00 0.17 -5.03 105.19 108.47 1wge n GLY 49 Ca 0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -6.42 1.61 4.39 -1.32 -3.48 114.58 109.36 1wge h GLU 50 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1wge h GLU 50 Cb 0.40 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.97 1wge h GLU 50 CO 0.00 0.29 -0.80 -0.40 -1.16 0.00 0.00 179.01 176.95 1wge n ASP 51 N -4.66 -3.72 -3.70 1.42 5.75 -1.26 -4.96 116.55 105.41 1wge n ASP 51 Ca -0.08 -0.87 -0.17 0.00 -0.01 0.00 0.00 54.79 53.67 1wge n ASP 51 Cb 0.24 -3.52 -0.17 0.00 -1.03 0.00 0.00 41.12 36.64 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 -3.38 -0.12 -0.25 2.12 1.01 -1.26 -2.77 120.40 115.74 1wge s VAL 52 Ca 0.57 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 1wge s VAL 52 Cb -0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1wge s VAL 52 CO 0.86 0.14 0.09 0.00 0.00 0.00 0.00 175.10 176.19 1wge s ALA 53 N 1.82 3.24 -0.07 5.51 0.00 -1.18 -4.83 121.76 126.26 1wge s ALA 53 Ca -0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1wge s ALA 53 Cb -0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1wge s ALA 53 CO -0.04 -0.48 0.18 0.99 0.00 0.00 0.00 175.76 176.41 1wge s THR 54 N 1.61 5.44 -0.19 0.00 2.01 -1.24 -3.26 115.64 120.01 1wge s THR 54 Ca 0.06 0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.09 1wge s THR 54 Cb -0.15 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1wge s THR 54 CO 0.05 0.50 0.13 0.00 -0.69 0.00 0.00 174.62 174.61 1wge n PRO 56 N 3.38 0.49 0.02 0.00 -0.04 -1.26 0.52 135.00 138.11 1wge n PRO 56 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1wge n PRO 56 Cb 0.52 -1.12 -0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.62 0.78 -0.00 3.54 2.88 -1.26 -4.85 113.62 114.09 1wge n SER 57 Ca 0.03 0.10 0.09 0.00 -1.33 0.00 0.00 58.87 57.76 1wge n SER 57 Cb 0.01 -0.26 -0.12 0.00 -0.75 0.00 0.00 64.21 63.09 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 -1.62 -4.57 -4.76 0.00 7.64 0.19 -4.90 113.62 105.60 1wge n SER 59 Ca 0.02 -0.01 -0.38 0.00 1.01 0.00 0.00 58.87 59.51 1wge n SER 59 Cb 0.35 -3.71 0.02 0.00 -1.01 0.00 0.00 64.21 59.86 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 -4.34 3.92 -0.15 -3.43 1.43 -1.26 -4.35 118.68 110.49 1wge s LEU 60 Ca 0.00 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.67 1wge s LEU 60 Cb 0.00 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.97 1wge s LEU 60 CO 0.00 -1.28 -0.19 0.27 0.23 0.00 0.00 176.35 175.38 1wge s ILE 61 N -1.42 1.92 0.13 -0.59 -4.36 -1.24 -2.68 121.20 112.95 1wge s ILE 61 Ca 0.68 -0.87 0.11 0.00 -0.26 0.00 0.00 60.65 60.31 1wge s ILE 61 Cb -0.35 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.59 1wge s ILE 61 CO 0.42 0.52 -0.25 0.27 0.24 0.00 0.00 174.94 176.14 1wge s ILE 62 N 1.14 2.39 -0.34 8.37 -4.36 -1.20 -2.91 121.20 124.28 1wge s ILE 62 Ca -0.00 -1.72 -0.28 0.00 -0.26 0.00 0.00 60.65 58.39 1wge s ILE 62 Cb -0.14 -2.07 0.02 0.00 1.25 0.00 0.00 42.46 41.51 1wge s ILE 62 CO -0.08 0.08 1.05 -0.75 0.24 0.00 0.00 174.94 175.48 1wge s LYS 63 N -2.11 3.99 -0.58 0.37 2.36 -1.12 -3.08 119.74 119.56 1wge s LYS 63 Ca 0.15 0.92 -0.22 0.00 -2.55 0.00 0.00 55.97 54.27 1wge s LYS 63 Cb -0.10 -3.77 0.06 0.00 -1.05 0.00 0.00 37.83 32.97 1wge s LYS 63 CO 0.07 -0.96 0.88 0.08 1.55 0.00 0.00 175.35 176.98 1wge s VAL 64 N 3.69 4.47 -0.76 4.02 1.01 -1.11 -0.91 120.40 130.81 1wge s VAL 64 Ca 0.44 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 1wge s VAL 64 Cb -0.12 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.73 1wge s VAL 64 CO 0.18 -1.18 1.50 -0.63 0.00 0.00 0.00 175.10 174.96 1wge s ILE 65 N 3.70 3.64 0.11 2.22 -1.09 0.11 -4.73 121.20 125.15 1wge s ILE 65 Ca 0.24 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.83 1wge s ILE 65 Cb -0.16 -4.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.05 1wge s ILE 65 CO 0.14 -1.57 -0.08 -0.72 -1.23 0.00 0.00 174.94 171.48 1wge s TYR 66 N 6.78 1.01 -0.47 3.97 -0.85 -1.26 -1.80 117.35 124.73 1wge s TYR 66 Ca 0.47 -0.82 -0.27 0.00 -0.52 0.00 0.00 57.07 55.93 1wge s TYR 66 Cb -0.08 -0.56 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 1wge s TYR 66 CO 0.12 -0.06 1.94 -0.51 -1.52 0.00 0.00 175.55 175.51 1wge s ASP 67 N -2.94 5.39 0.10 -0.18 1.11 -1.26 -4.88 116.67 114.01 1wge s ASP 67 Ca 0.12 0.89 -0.34 0.00 0.18 0.00 0.00 52.55 53.40 1wge s ASP 67 Cb 0.03 -2.52 -0.14 0.00 1.07 0.00 0.00 42.92 41.35 1wge s ASP 67 CO -0.02 -2.18 1.57 0.11 1.18 0.00 0.00 175.17 175.83 1wge h LYS 68 N 14.87 -0.79 -0.92 8.23 1.79 -1.98 -1.18 116.57 136.59 1wge h LYS 68 Ca -0.29 0.05 0.21 0.00 -2.18 0.00 0.00 60.65 58.44 1wge h LYS 68 Cb 1.18 0.18 -0.07 0.00 -1.58 0.00 0.00 32.23 31.94 1wge h LYS 68 CO 1.13 -0.53 0.61 0.22 -1.08 0.00 0.00 179.45 179.80 1wge h ASP 69 N -0.82 0.42 -0.36 0.86 3.58 -1.98 0.42 116.42 118.54 1wge h ASP 69 Ca -0.02 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1wge h ASP 69 Cb 0.78 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1wge h ASP 69 CO -0.18 0.16 0.06 1.56 -2.88 0.00 0.00 179.24 177.96 1wge h GLN 70 N 0.41 0.69 0.00 0.28 1.08 -1.64 -2.66 115.11 113.28 1wge h GLN 70 Ca 0.48 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 57.44 1wge h GLN 70 Cb 1.20 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1wge h GLN 70 CO -0.19 0.66 -0.56 0.74 -0.95 0.00 0.00 178.83 178.53 1wge h PHE 71 N 0.66 0.00 -1.17 2.96 -1.00 0.23 -3.33 116.94 115.29 1wge h PHE 71 Ca 0.14 0.00 0.34 0.00 2.81 0.00 0.00 57.97 61.26 1wge h PHE 71 Cb 0.32 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.84 1wge h PHE 71 CO 0.02 1.10 0.93 0.52 -1.61 0.00 0.00 178.31 179.27 1wge h MET 72 N -1.00 0.00 -0.66 1.51 2.86 -0.38 0.18 114.93 117.45 1wge h MET 72 Ca -0.15 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.68 1wge h MET 72 Cb 1.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1wge h MET 72 CO -0.09 0.00 1.04 0.00 1.06 0.00 0.00 176.91 178.92 1wge n GLY 74 N -1.62 0.77 3.82 0.00 0.00 0.05 -4.83 105.19 103.39 1wge n GLY 74 Ca 0.14 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 2.32 0.02 1.61 0.41 -1.26 -5.09 118.70 116.71 1wge s GLU 75 Ca 0.00 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.75 1wge s GLU 75 Cb 0.00 -2.11 -0.02 0.00 -1.78 0.00 0.00 34.13 30.22 1wge s GLU 75 CO 0.00 -0.27 -0.03 0.95 -0.49 0.00 0.00 175.26 175.42 1wge s THR 76 N -2.61 0.13 0.16 3.63 -4.23 -1.26 -5.06 115.64 106.39 1wge s THR 76 Ca 0.40 -0.73 -0.21 0.00 -1.18 0.00 0.00 61.69 59.97 1wge s THR 76 Cb 0.00 -0.24 0.06 0.00 1.34 0.00 0.00 72.50 73.66 1wge s THR 76 CO 0.23 -0.38 1.63 0.58 -0.54 0.00 0.00 174.62 176.14 1wge h VAL 77 N 4.74 0.38 -2.18 2.29 2.07 -2.03 -3.44 116.25 118.09 1wge h VAL 77 Ca -0.31 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 1wge h VAL 77 Cb 1.21 0.38 -0.21 0.00 -1.52 0.00 0.00 31.29 31.15 1wge h VAL 77 CO 0.43 0.00 0.06 -0.94 0.02 0.00 0.00 177.57 177.14 1wge s SER 78 N -5.08 -0.65 0.60 0.57 1.04 -1.26 -5.17 113.70 103.75 1wge s SER 78 Ca -0.15 1.14 -0.09 0.00 0.48 0.00 0.00 55.95 57.34 1wge s SER 78 Cb 0.13 1.13 -0.02 0.00 0.10 0.00 0.00 66.02 67.37 1wge s SER 78 CO 0.69 -0.31 0.96 -0.83 0.98 0.00 0.00 173.24 174.73 1wge s GLY 79 N -0.02 1.60 -0.58 7.32 0.00 -1.26 -4.98 107.32 109.41 1wge s GLY 79 Ca -0.03 -0.38 -0.27 0.00 0.00 0.00 0.00 44.72 44.05 1wge s GLY 79 CO 0.03 -0.11 1.84 2.56 0.00 0.00 0.00 173.10 177.42 1wge s PRO 80 N -5.07 2.72 1.40 2.90 0.04 -1.26 -4.98 135.00 130.74 1wge s PRO 80 Ca 0.54 0.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 1wge s PRO 80 Cb -0.11 -4.36 0.35 0.00 0.04 0.00 0.00 34.50 30.43 1wge s PRO 80 CO 0.49 -2.62 0.86 0.43 0.04 0.00 0.00 177.00 176.21 1wge n SER 81 N 12.41 -3.65 -2.96 6.66 7.64 -1.26 -4.14 113.62 128.32 1wge n SER 81 Ca 0.21 -0.70 -0.18 0.00 1.01 0.00 0.00 58.87 59.20 1wge n SER 81 Cb 0.51 -1.04 0.07 0.00 -1.01 0.00 0.00 64.21 62.74 1wge n SER 81 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wge n SER 82 N -5.35 -4.77 0.00 6.43 2.88 -1.26 -5.33 113.62 106.22 1wge n SER 82 Ca 0.11 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1wge n SER 82 Cb 0.58 -4.12 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42