#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 0.28 -0.00 1.61 0.01 -1.26 -5.15 113.70 109.19 1wge s SER 2 Ca 0.00 0.29 -0.28 0.00 1.31 0.00 0.00 55.95 57.27 1wge s SER 2 Cb 0.00 1.07 0.08 0.00 0.21 0.00 0.00 66.02 67.38 1wge s SER 2 CO 0.00 -0.29 0.74 -0.55 0.41 0.00 0.00 173.24 173.55 1wge s SER 3 N 2.53 -0.54 0.10 2.44 0.15 -1.26 -5.18 113.70 111.94 1wge s SER 3 Ca 0.10 0.36 0.10 0.00 0.70 0.00 0.00 55.95 57.21 1wge s SER 3 Cb -0.15 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1wge s SER 3 CO -0.15 -0.67 -0.26 -0.83 1.20 0.00 0.00 173.24 172.54 1wge s GLY 4 N -1.80 1.48 0.00 9.45 0.00 -1.26 -5.05 107.32 110.14 1wge s GLY 4 Ca -0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 44.72 43.28 1wge s GLY 4 CO -0.01 -1.33 -0.06 -1.26 0.00 0.00 0.00 173.10 170.45 1wge n SER 5 N 1.21 0.74 -4.65 1.64 2.88 -1.26 -4.97 113.62 109.22 1wge n SER 5 Ca -0.18 0.11 -0.45 0.00 -1.33 0.00 0.00 58.87 57.02 1wge n SER 5 Cb 0.53 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 1wge n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wge n SER 6 N -3.41 2.32 0.00 -3.46 2.88 -1.26 -2.78 113.62 107.91 1wge n SER 6 Ca -0.06 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1wge n SER 6 Cb 0.34 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1wge n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wge n GLY 7 N 1.62 3.09 3.73 0.46 0.00 -1.26 -5.03 105.19 107.79 1wge n GLY 7 Ca 0.10 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 3.92 -0.44 1.61 0.00 -1.12 -5.07 119.30 118.21 1wge s MET 8 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 55.69 55.40 1wge s MET 8 Cb 0.00 -3.28 0.12 0.00 0.00 0.00 0.00 34.83 31.67 1wge s MET 8 CO 0.00 0.41 0.25 0.00 0.00 0.00 0.00 175.02 175.68 1wge s ALA 9 N 0.03 3.24 -0.32 3.16 0.00 -1.26 -4.95 121.76 121.65 1wge s ALA 9 Ca 0.08 -2.58 0.03 0.00 0.00 0.00 0.00 51.96 49.49 1wge s ALA 9 Cb -0.12 -2.53 0.09 0.00 0.00 0.00 0.00 23.12 20.57 1wge s ALA 9 CO -0.00 -1.84 0.04 0.54 0.00 0.00 0.00 175.76 174.50 1wge s VAL 10 N 1.12 1.96 0.27 0.00 0.11 -1.26 -5.11 120.40 117.50 1wge s VAL 10 Ca 0.08 -2.05 0.07 0.00 -2.93 0.00 0.00 61.98 57.15 1wge s VAL 10 Cb -0.23 -2.41 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 1wge s VAL 10 CO -0.03 -0.54 0.28 -0.36 -3.33 0.00 0.00 175.10 171.12 1wge s PHE 11 N 1.08 3.15 -0.13 1.54 0.40 -1.26 -4.67 117.98 118.09 1wge s PHE 11 Ca 0.08 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.11 1wge s PHE 11 Cb -0.19 -1.58 -0.25 0.00 0.51 0.00 0.00 43.02 41.51 1wge s PHE 11 CO -0.11 0.38 0.47 1.25 0.70 0.00 0.00 175.22 177.91 1wge h HIS 12 N 1.30 0.32 -1.34 0.36 -0.00 -1.94 -3.50 115.15 110.35 1wge h HIS 12 Ca -0.48 -0.23 0.17 0.00 -0.00 0.00 0.00 60.37 59.83 1wge h HIS 12 Cb 1.24 -0.01 -0.24 0.00 -0.00 0.00 0.00 27.41 28.40 1wge h HIS 12 CO 0.51 1.54 0.76 -0.51 -0.00 0.00 0.00 177.93 180.23 1wge s ASP 13 N -6.94 -0.19 -0.52 3.26 1.01 -1.26 -5.10 116.67 106.92 1wge s ASP 13 Ca -0.22 0.18 -0.20 0.00 0.71 0.00 0.00 52.55 53.02 1wge s ASP 13 Cb 0.05 0.16 0.06 0.00 1.01 0.00 0.00 42.92 44.20 1wge s ASP 13 CO 0.72 -0.20 0.68 -1.61 0.21 0.00 0.00 175.17 174.97 1wge s GLU 14 N -1.27 3.14 -0.02 8.23 2.02 -1.26 -2.91 118.70 126.64 1wge s GLU 14 Ca 0.04 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.21 1wge s GLU 14 Cb -0.01 -4.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.08 1wge s GLU 14 CO -0.04 -1.29 -0.02 0.08 0.02 0.00 0.00 175.26 174.02 1wge s VAL 15 N 2.83 4.05 0.09 2.63 1.01 -0.02 -4.89 120.40 126.10 1wge s VAL 15 Ca 0.17 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1wge s VAL 15 Cb -0.19 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 1wge s VAL 15 CO 0.12 0.43 0.86 -1.61 0.00 0.00 0.00 175.10 174.91 1wge s GLU 16 N -1.38 4.61 0.55 2.72 2.02 -1.26 -0.28 118.70 125.68 1wge s GLU 16 Ca 0.18 1.26 0.36 0.00 0.02 0.00 0.00 54.97 56.79 1wge s GLU 16 Cb -0.11 -3.36 1.53 0.00 0.10 0.00 0.00 34.13 32.29 1wge s GLU 16 CO 0.08 0.28 1.80 0.97 0.02 0.00 0.00 175.26 178.41 1wge h ILE 17 N 3.98 0.39 -0.95 -1.63 6.09 -1.69 0.26 117.51 123.96 1wge h ILE 17 Ca -0.44 0.00 0.26 0.00 -1.37 0.00 0.00 64.86 63.31 1wge h ILE 17 Cb 1.21 0.41 -0.05 0.00 0.47 0.00 0.00 36.82 38.85 1wge h ILE 17 CO 0.71 0.00 0.66 -0.33 -3.07 0.00 0.00 178.15 176.12 1wge h GLU 18 N 0.00 0.15 0.00 2.19 5.08 -1.92 0.37 114.58 120.46 1wge h GLU 18 Ca 0.54 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.66 1wge h GLU 18 Cb 2.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.39 1wge h GLU 18 CO -0.01 0.10 -1.19 0.22 -1.00 0.00 0.00 179.01 177.14 1wge h ASP 19 N 0.16 0.00 -3.83 1.42 1.82 -0.87 -3.47 116.42 111.65 1wge h ASP 19 Ca 0.48 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.61 1wge h ASP 19 Cb 1.61 0.00 0.21 0.00 0.68 0.00 0.00 39.33 41.83 1wge h ASP 19 CO -0.09 0.98 -0.08 0.49 -1.61 0.00 0.00 179.24 178.94 1wge n PHE 20 N -3.26 -0.10 -3.75 0.28 3.01 0.13 -4.98 117.46 108.79 1wge n PHE 20 Ca -0.05 0.28 -0.37 0.00 1.01 0.00 0.00 57.45 58.33 1wge n PHE 20 Cb 0.97 -1.89 -0.11 0.00 -0.01 0.00 0.00 39.48 38.43 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 -4.29 2.09 0.21 -1.08 0.74 -0.53 -4.86 119.66 111.92 1wge s GLN 21 Ca 0.64 -1.78 -0.30 0.00 0.05 0.00 0.00 55.36 53.97 1wge s GLN 21 Cb -0.22 -3.61 -0.08 0.00 1.10 0.00 0.00 33.01 30.20 1wge s GLN 21 CO 0.62 -1.06 1.08 -0.47 -0.55 0.00 0.00 175.29 174.90 1wge s TYR 22 N 1.18 3.64 -0.32 1.67 5.04 -1.26 -1.72 117.35 125.58 1wge s TYR 22 Ca 0.07 1.67 0.03 0.00 -2.44 0.00 0.00 57.07 56.40 1wge s TYR 22 Cb -0.23 -3.24 0.09 0.00 0.35 0.00 0.00 41.96 38.94 1wge s TYR 22 CO -0.04 -0.44 0.04 0.34 -1.34 0.00 0.00 175.55 174.11 1wge s ASP 23 N -0.42 4.54 0.50 4.32 -1.08 -0.95 -4.97 116.67 118.61 1wge s ASP 23 Ca 0.47 -1.94 0.32 0.00 -0.52 0.00 0.00 52.55 50.88 1wge s ASP 23 Cb -0.29 -1.44 1.43 0.00 -1.46 0.00 0.00 42.92 41.16 1wge s ASP 23 CO 0.36 -0.37 1.77 1.05 0.52 0.00 0.00 175.17 178.50 1wge h GLU 24 N 7.74 0.11 -0.50 4.34 4.11 -1.95 0.76 114.58 129.20 1wge h GLU 24 Ca -0.08 -0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.40 1wge h GLU 24 Cb 1.02 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 1wge h GLU 24 CO 0.50 0.07 -0.56 -0.44 0.07 0.00 0.00 179.01 178.65 1wge h ASP 25 N 0.11 -1.90 0.00 3.06 3.32 -1.96 -2.94 116.42 116.11 1wge h ASP 25 Ca 0.61 0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.92 1wge h ASP 25 Cb 2.16 0.79 -0.00 0.00 0.22 0.00 0.00 39.33 42.50 1wge h ASP 25 CO -0.12 -0.38 -0.16 -0.24 -1.72 0.00 0.00 179.24 176.62 1wge n SER 26 N -5.36 2.13 -4.07 6.45 2.88 -0.61 -4.98 113.62 110.06 1wge n SER 26 Ca -0.03 -3.32 -0.29 0.00 -1.33 0.00 0.00 58.87 53.90 1wge n SER 26 Cb 0.33 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 1wge n SER 26 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wge n GLU 27 N -1.32 -0.91 -4.63 -1.46 1.02 0.26 -4.79 120.64 108.80 1wge n GLU 27 Ca 0.17 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 57.16 1wge n GLU 27 Cb 0.66 -3.27 -0.16 0.00 -0.02 0.00 0.00 31.44 28.64 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 -3.92 1.15 0.67 2.62 2.01 -1.17 -1.27 115.64 115.73 1wge s THR 28 Ca 0.15 -0.55 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 1wge s THR 28 Cb -0.09 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.42 1wge s THR 28 CO 0.86 0.34 1.04 -0.31 -0.69 0.00 0.00 174.62 175.87 1wge s TYR 29 N 0.22 3.32 0.04 4.92 1.51 -1.02 -2.23 117.35 124.12 1wge s TYR 29 Ca -0.06 0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 56.93 1wge s TYR 29 Cb -0.11 -2.96 -0.02 0.00 -0.11 0.00 0.00 41.96 38.75 1wge s TYR 29 CO 0.02 -1.06 0.02 -0.06 -1.11 0.00 0.00 175.55 173.36 1wge s PHE 30 N -3.25 0.35 -0.20 2.71 0.08 -0.70 -3.08 117.98 113.89 1wge s PHE 30 Ca 0.57 -0.75 -0.22 0.00 0.12 0.00 0.00 56.93 56.64 1wge s PHE 30 Cb -0.11 -0.25 0.06 0.00 -0.57 0.00 0.00 43.02 42.15 1wge s PHE 30 CO 0.50 -0.34 0.62 -0.47 -0.10 0.00 0.00 175.22 175.43 1wge s TYR 31 N -2.96 -0.66 -0.28 0.36 5.04 -1.18 -1.46 117.35 116.20 1wge s TYR 31 Ca -0.02 1.55 -0.29 0.00 -2.44 0.00 0.00 57.07 55.87 1wge s TYR 31 Cb 0.01 0.25 -0.02 0.00 0.35 0.00 0.00 41.96 42.55 1wge s TYR 31 CO -0.06 -0.37 1.65 -1.25 -1.34 0.00 0.00 175.55 174.18 1wge s PRO 32 N 0.07 3.60 0.07 4.97 0.04 -1.26 0.12 135.00 142.62 1wge s PRO 32 Ca -0.02 1.48 -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 30.35 1wge s PRO 32 CO 0.02 -1.53 0.70 0.00 0.04 0.00 0.00 177.00 176.23 1wge n PRO 34 N 2.30 0.49 -0.05 0.00 -0.04 -1.26 -2.65 135.00 133.79 1wge n PRO 34 Ca -0.06 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.34 1wge n PRO 34 Cb 0.50 -1.02 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 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 2.99 -1.27 3.76 0.00 0.00 -1.08 -5.08 105.19 104.50 1wge n GLY 36 Ca -0.17 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.96 5.63 -0.02 1.61 1.11 -1.26 -4.56 116.67 117.21 1wge s ASP 37 Ca 0.00 2.41 -0.25 0.00 0.18 0.00 0.00 52.55 54.89 1wge s ASP 37 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1wge s ASP 37 CO 0.00 -1.30 0.77 0.20 1.18 0.00 0.00 175.17 176.02 1wge s ASN 38 N -1.39 7.12 1.05 0.27 0.01 -1.26 -3.37 114.94 117.37 1wge s ASN 38 Ca 0.71 1.35 -0.19 0.00 -0.71 0.00 0.00 52.86 54.02 1wge s ASN 38 Cb -0.31 -2.46 0.01 0.00 0.41 0.00 0.00 41.25 38.90 1wge s ASN 38 CO 0.36 -0.10 -0.27 0.49 -1.51 0.00 0.00 177.10 176.07 1wge n PHE 39 N 3.49 -1.77 -3.65 2.20 3.72 0.32 -4.67 117.46 117.10 1wge n PHE 39 Ca -0.00 0.24 -0.07 0.00 -0.05 0.00 0.00 57.45 57.57 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 -2.21 -1.82 -0.17 4.37 0.00 -0.93 -3.13 121.76 117.88 1wge s ALA 40 Ca 0.51 2.33 -0.04 0.00 0.00 0.00 0.00 51.96 54.76 1wge s ALA 40 Cb -0.10 -1.43 0.08 0.00 0.00 0.00 0.00 23.12 21.66 1wge s ALA 40 CO 0.68 -0.45 0.19 -1.50 0.00 0.00 0.00 175.76 174.68 1wge s ILE 41 N 1.80 -0.28 0.24 0.00 2.07 -1.18 -3.25 121.20 120.61 1wge s ILE 41 Ca -0.09 -0.01 -0.31 0.00 -1.41 0.00 0.00 60.65 58.83 1wge s ILE 41 Cb -0.06 -0.57 -0.12 0.00 0.13 0.00 0.00 42.46 41.83 1wge s ILE 41 CO -0.19 -0.13 1.66 0.35 -1.91 0.00 0.00 174.94 174.72 1wge n THR 42 N 5.32 0.39 -0.34 4.00 -2.24 -1.26 -2.43 114.28 117.71 1wge n THR 42 Ca -0.06 -0.10 0.24 0.00 -2.27 0.00 0.00 64.05 61.87 1wge n THR 42 Cb 0.50 -1.92 0.48 0.00 -2.10 0.00 0.00 70.33 67.29 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 5.93 0.33 -0.39 -0.78 3.11 -1.49 0.16 116.57 123.43 1wge h LYS 43 Ca -0.45 -0.02 0.08 0.00 -2.81 0.00 0.00 60.65 57.45 1wge h LYS 43 Cb 1.22 -0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 32.30 1wge h LYS 43 CO 0.89 0.22 -0.11 1.49 -2.81 0.00 0.00 179.45 179.12 1wge h GLU 44 N 0.34 -0.02 -0.44 1.90 4.81 -1.89 -1.66 114.58 117.61 1wge h GLU 44 Ca 0.72 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 60.04 1wge h GLU 44 Cb 1.69 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.00 1wge h GLU 44 CO -0.55 -0.01 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.25 1wge h ASP 45 N -0.02 -0.25 -0.62 1.04 5.19 -1.04 -1.06 116.42 119.67 1wge h ASP 45 Ca 0.19 0.11 0.12 0.00 -0.62 0.00 0.00 57.03 56.83 1wge h ASP 45 Cb 0.31 0.21 -0.09 0.00 0.18 0.00 0.00 39.33 39.94 1wge h ASP 45 CO -0.42 -0.08 0.14 -0.07 -3.12 0.00 0.00 179.24 175.69 1wge h LEU 46 N 0.08 0.01 -1.73 1.55 3.38 -1.24 0.32 115.31 117.68 1wge h LEU 46 Ca 0.22 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1wge h LEU 46 Cb 0.32 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wge h LEU 46 CO -0.39 0.01 -0.10 -0.33 0.09 0.00 0.00 178.44 177.72 1wge h GLU 47 N 0.27 0.00 -0.15 1.13 5.08 -0.80 -1.83 114.58 118.29 1wge h GLU 47 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1wge h GLU 47 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1wge h GLU 47 CO -0.41 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 177.79 1wge n ASN 48 N -3.35 0.79 -0.81 1.42 3.02 0.10 -4.73 115.26 111.70 1wge n ASN 48 Ca -0.01 -1.98 -0.07 0.00 -0.03 0.00 0.00 54.58 52.49 1wge n ASN 48 Cb 0.28 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.75 0.14 0.05 7.41 0.00 -0.69 -4.97 105.19 107.89 1wge n GLY 49 Ca 0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 -6.34 1.61 4.39 -1.48 -3.48 114.58 109.28 1wge h GLU 50 Ca -0.17 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.05 1wge h GLU 50 Cb 1.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 1wge h GLU 50 CO 0.21 0.14 -0.82 -0.40 -1.16 0.00 0.00 179.01 176.98 1wge n ASP 51 N -4.75 -2.46 -3.69 1.42 5.75 -1.26 -4.96 116.55 106.59 1wge n ASP 51 Ca -0.02 -0.87 -0.11 0.00 -0.01 0.00 0.00 54.79 53.78 1wge n ASP 51 Cb 0.07 -3.61 -0.12 0.00 -1.03 0.00 0.00 41.12 36.44 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 -3.57 -0.20 -0.18 2.12 1.01 -1.26 -2.54 120.40 115.78 1wge s VAL 52 Ca 0.32 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 1wge s VAL 52 Cb -0.16 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1wge s VAL 52 CO 0.85 0.07 -0.01 0.00 0.00 0.00 0.00 175.10 176.01 1wge s ALA 53 N 1.75 3.07 0.09 5.51 0.00 -1.19 -4.83 121.76 126.16 1wge s ALA 53 Ca -0.06 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1wge s ALA 53 Cb -0.10 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1wge s ALA 53 CO -0.11 0.06 0.20 0.99 0.00 0.00 0.00 175.76 176.89 1wge s THR 54 N 0.63 5.15 -0.16 0.00 2.01 -1.20 -3.24 115.64 118.83 1wge s THR 54 Ca -0.01 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.36 1wge s THR 54 Cb -0.14 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1wge s THR 54 CO 0.02 0.07 0.05 0.00 -0.69 0.00 0.00 174.62 174.07 1wge n PRO 56 N 3.27 0.49 0.01 0.00 -0.04 -1.26 -0.28 135.00 137.18 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 0.53 -1.14 -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 -0.64 0.28 0.03 3.54 2.88 -1.26 -4.87 113.62 113.58 1wge n SER 57 Ca 0.03 0.04 0.09 0.00 -1.33 0.00 0.00 58.87 57.69 1wge n SER 57 Cb 0.01 -0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.52 -2.42 -4.76 0.00 3.41 0.61 -4.91 113.62 103.03 1wge n SER 59 Ca -0.05 0.01 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 1wge n SER 59 Cb 0.63 -1.60 0.02 0.00 -0.26 0.00 0.00 64.21 62.99 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 -1.46 3.97 -0.16 1.04 1.43 -1.26 -4.34 118.68 117.90 1wge s LEU 60 Ca 0.00 2.62 0.02 0.00 -1.03 0.00 0.00 54.13 55.73 1wge s LEU 60 Cb 0.00 -4.19 0.02 0.00 0.03 0.00 0.00 46.19 42.05 1wge s LEU 60 CO 0.00 -1.24 -0.20 0.27 0.23 0.00 0.00 176.35 175.41 1wge s ILE 61 N -1.37 1.98 0.12 -0.59 -4.36 -1.25 -2.82 121.20 112.92 1wge s ILE 61 Ca 0.66 -0.91 0.10 0.00 -0.26 0.00 0.00 60.65 60.24 1wge s ILE 61 Cb -0.37 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 1wge s ILE 61 CO 0.44 0.53 -0.22 0.27 0.24 0.00 0.00 174.94 176.20 1wge s ILE 62 N 1.10 2.58 -0.32 8.37 -4.36 -1.20 -2.99 121.20 124.38 1wge s ILE 62 Ca -0.00 -1.61 -0.29 0.00 -0.26 0.00 0.00 60.65 58.49 1wge s ILE 62 Cb -0.14 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.42 1wge s ILE 62 CO -0.08 0.11 1.06 -0.75 0.24 0.00 0.00 174.94 175.52 1wge s LYS 63 N -2.07 4.05 -0.43 0.37 2.36 -1.14 -3.18 119.74 119.69 1wge s LYS 63 Ca 0.16 1.03 -0.23 0.00 -2.55 0.00 0.00 55.97 54.38 1wge s LYS 63 Cb -0.10 -3.74 0.02 0.00 -1.05 0.00 0.00 37.83 32.96 1wge s LYS 63 CO 0.08 -0.91 0.78 0.08 1.55 0.00 0.00 175.35 176.94 1wge s VAL 64 N 3.64 4.67 -0.72 4.02 1.01 -1.05 -0.84 120.40 131.12 1wge s VAL 64 Ca 0.45 0.54 -0.23 0.00 0.00 0.00 0.00 61.98 62.73 1wge s VAL 64 Cb -0.12 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.03 1wge s VAL 64 CO 0.16 -0.65 1.09 -0.63 0.00 0.00 0.00 175.10 175.06 1wge s ILE 65 N 3.25 4.18 0.12 2.22 -1.09 0.61 -4.80 121.20 125.68 1wge s ILE 65 Ca 0.30 -0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.47 1wge s ILE 65 Cb -0.12 -4.77 -0.04 0.00 -1.58 0.00 0.00 42.46 35.94 1wge s ILE 65 CO 0.21 -1.59 -0.08 -0.72 -1.23 0.00 0.00 174.94 171.53 1wge s TYR 66 N 4.44 1.04 -0.74 3.97 -0.85 -1.26 -1.90 117.35 122.06 1wge s TYR 66 Ca 0.28 -0.84 -0.26 0.00 -0.52 0.00 0.00 57.07 55.72 1wge s TYR 66 Cb -0.13 -0.57 0.00 0.00 0.38 0.00 0.00 41.96 41.65 1wge s TYR 66 CO 0.09 -0.05 1.61 0.34 -1.52 0.00 0.00 175.55 176.02 1wge s ASP 67 N -3.05 5.71 0.17 -0.18 2.15 -1.26 -4.87 116.67 115.34 1wge s ASP 67 Ca 0.13 -0.26 -0.21 0.00 0.43 0.00 0.00 52.55 52.65 1wge s ASP 67 Cb 0.04 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 40.19 1wge s ASP 67 CO -0.02 -2.13 1.62 0.11 -0.17 0.00 0.00 175.17 174.57 1wge h LYS 68 N 12.17 -0.18 -1.40 4.34 1.57 -1.98 0.23 116.57 131.32 1wge h LYS 68 Ca -0.18 0.01 0.41 0.00 -1.87 0.00 0.00 60.65 59.02 1wge h LYS 68 Cb 1.09 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 1wge h LYS 68 CO 1.26 -0.12 1.15 0.22 -0.57 0.00 0.00 179.45 181.40 1wge h ASP 69 N -0.19 0.00 0.00 0.86 3.58 -1.99 0.51 116.42 119.20 1wge h ASP 69 Ca 0.18 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1wge h ASP 69 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1wge h ASP 69 CO -0.49 0.00 -0.00 1.56 -2.88 0.00 0.00 179.24 177.43 1wge h GLN 70 N 0.00 -0.00 0.06 0.28 1.08 -0.86 -3.14 115.11 112.53 1wge h GLN 70 Ca 0.67 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.86 1wge h GLN 70 Cb 2.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.40 1wge h GLN 70 CO -0.01 0.74 -0.03 0.74 -0.95 0.00 0.00 178.83 179.32 1wge h PHE 71 N -1.00 -0.07 -0.09 2.96 -1.00 -0.18 -3.24 116.94 114.32 1wge h PHE 71 Ca -0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1wge h PHE 71 Cb 0.74 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.27 1wge h PHE 71 CO 0.21 0.12 -0.46 0.52 -1.61 0.00 0.00 178.31 177.09 1wge h MET 72 N -0.25 -0.49 -6.37 1.51 2.86 -0.36 -3.36 114.93 108.47 1wge h MET 72 Ca -0.01 0.03 -0.55 0.00 -2.06 0.00 0.00 59.70 57.12 1wge h MET 72 Cb 0.22 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1wge h MET 72 CO 0.01 -0.33 1.14 0.00 1.06 0.00 0.00 176.91 178.80 1wge n GLY 74 N 5.29 0.51 3.41 0.00 0.00 -1.26 -4.80 105.19 108.34 1wge n GLY 74 Ca 0.15 0.90 -0.43 0.00 0.00 0.00 0.00 46.02 46.65 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 4.20 3.16 -2.55 1.61 0.28 -1.26 -4.65 120.64 121.43 1wge n GLU 75 Ca 0.26 -3.20 -0.14 0.00 -0.16 0.00 0.00 57.16 53.92 1wge n GLU 75 Cb 0.08 -3.42 0.02 0.00 1.43 0.00 0.00 31.44 29.56 1wge n GLU 75 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1wge n THR 76 N 5.99 1.67 -3.61 3.84 -1.04 -1.26 -4.98 114.28 114.88 1wge n THR 76 Ca 0.49 -3.72 -0.37 0.00 -2.04 0.00 0.00 64.05 58.41 1wge n THR 76 Cb 0.44 -0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.89 1wge n THR 76 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1wge s VAL 77 N -4.15 4.47 -0.45 12.58 1.01 -1.26 -4.95 120.40 127.64 1wge s VAL 77 Ca 0.36 -3.75 0.03 0.00 0.00 0.00 0.00 61.98 58.62 1wge s VAL 77 Cb 0.41 -3.77 0.16 0.00 0.00 0.00 0.00 36.38 33.17 1wge s VAL 77 CO -0.04 -1.08 0.32 -0.55 0.00 0.00 0.00 175.10 173.75 1wge s SER 78 N 0.07 2.70 0.29 3.32 0.15 -1.26 -5.10 113.70 113.87 1wge s SER 78 Ca 0.27 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 53.97 1wge s SER 78 Cb -0.08 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1wge s SER 78 CO -0.11 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1wge n GLY 79 N 3.05 0.54 3.72 9.45 0.00 -1.26 -4.86 105.19 115.83 1wge n GLY 79 Ca 0.21 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1wge n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wge s PRO 80 N 0.00 1.22 -0.20 1.61 0.04 -1.26 -4.98 135.00 131.43 1wge s PRO 80 Ca 0.00 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 1wge s PRO 80 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1wge s PRO 80 CO 0.00 -2.26 1.05 0.45 0.04 0.00 0.00 177.00 176.27 1wge s SER 81 N -3.42 7.12 0.58 6.66 0.15 -1.26 -5.04 113.70 118.50 1wge s SER 81 Ca 0.63 1.43 -0.05 0.00 0.70 0.00 0.00 55.95 58.67 1wge s SER 81 Cb -0.18 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1wge s SER 81 CO 0.57 -0.63 0.88 -0.55 1.20 0.00 0.00 173.24 174.71 1wge s SER 82 N 1.22 5.56 0.00 5.45 0.15 -1.26 -5.23 113.70 119.59 1wge s SER 82 Ca 0.46 0.63 0.31 0.00 0.70 0.00 0.00 55.95 58.04 1wge s SER 82 Cb -0.16 -1.62 1.72 0.00 -1.71 0.00 0.00 66.02 64.25 1wge s SER 82 CO 0.09 -1.06 2.12 0.61 1.20 0.00 0.00 173.24 176.21