#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 4.46 -0.34 1.61 0.15 -1.26 -5.09 113.70 113.23 1wge s SER 2 Ca 0.00 -1.09 -0.22 0.00 0.70 0.00 0.00 55.95 55.34 1wge s SER 2 Cb 0.00 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1wge s SER 2 CO 0.00 -0.18 0.70 -0.55 1.20 0.00 0.00 173.24 174.42 1wge s SER 3 N 1.25 6.51 -0.43 5.45 0.15 -1.26 -5.00 113.70 120.37 1wge s SER 3 Ca -0.03 0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.98 1wge s SER 3 Cb -0.18 -2.36 0.14 0.00 -1.71 0.00 0.00 66.02 61.91 1wge s SER 3 CO -0.04 -0.61 0.24 -0.83 1.20 0.00 0.00 173.24 173.20 1wge s GLY 4 N 1.75 1.58 0.46 9.45 0.00 -1.26 -5.11 107.32 114.19 1wge s GLY 4 Ca 0.28 -2.52 0.05 0.00 0.00 0.00 0.00 44.72 42.52 1wge s GLY 4 CO 0.14 1.62 0.08 -0.56 0.00 0.00 0.00 173.10 174.39 1wge s SER 5 N 0.39 4.15 0.18 1.64 0.01 -1.26 -5.13 113.70 113.68 1wge s SER 5 Ca 0.18 -1.39 -0.20 0.00 1.31 0.00 0.00 55.95 55.86 1wge s SER 5 Cb -0.23 -0.04 -0.08 0.00 0.21 0.00 0.00 66.02 65.89 1wge s SER 5 CO -0.01 -0.66 0.68 -0.55 0.41 0.00 0.00 173.24 173.11 1wge s SER 6 N -3.86 7.09 0.60 2.44 0.15 -1.26 -5.01 113.70 113.85 1wge s SER 6 Ca 0.27 1.39 -0.17 0.00 0.70 0.00 0.00 55.95 58.13 1wge s SER 6 Cb 0.05 -2.41 -0.15 0.00 -1.71 0.00 0.00 66.02 61.80 1wge s SER 6 CO 0.14 0.12 -0.27 0.61 1.20 0.00 0.00 173.24 175.04 1wge n GLY 7 N 1.07 -3.46 3.28 9.45 0.00 -1.26 -5.00 105.19 109.28 1wge n GLY 7 Ca -0.05 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.20 0.50 -0.52 1.61 0.00 -1.26 -5.12 119.30 113.31 1wge s MET 8 Ca 0.52 1.00 -0.17 0.00 0.00 0.00 0.00 55.69 57.04 1wge s MET 8 Cb -0.41 0.57 0.10 0.00 0.00 0.00 0.00 34.83 35.09 1wge s MET 8 CO 0.68 -0.43 0.51 0.00 0.00 0.00 0.00 175.02 175.78 1wge s ALA 9 N 2.85 3.56 -0.32 3.16 0.00 -1.26 -5.02 121.76 124.74 1wge s ALA 9 Ca 0.10 -2.28 0.03 0.00 0.00 0.00 0.00 51.96 49.81 1wge s ALA 9 Cb -0.13 -3.25 0.09 0.00 0.00 0.00 0.00 23.12 19.83 1wge s ALA 9 CO -0.19 -1.97 0.03 0.54 0.00 0.00 0.00 175.76 174.17 1wge s VAL 10 N 1.87 1.95 0.33 0.00 0.11 -1.26 -5.11 120.40 118.28 1wge s VAL 10 Ca 0.06 -1.99 0.07 0.00 -2.93 0.00 0.00 61.98 57.18 1wge s VAL 10 Cb -0.26 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1wge s VAL 10 CO 0.05 -0.50 0.36 -0.36 -3.33 0.00 0.00 175.10 171.32 1wge s PHE 11 N 1.10 2.99 0.01 1.54 0.40 -1.26 -4.83 117.98 117.92 1wge s PHE 11 Ca 0.07 -0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 55.97 1wge s PHE 11 Cb -0.19 -1.86 -0.34 0.00 0.51 0.00 0.00 43.02 41.13 1wge s PHE 11 CO -0.11 0.12 0.93 1.25 0.70 0.00 0.00 175.22 178.12 1wge h HIS 12 N 1.12 0.89 -1.46 0.36 -0.00 -1.95 -3.49 115.15 110.61 1wge h HIS 12 Ca -0.45 -0.65 0.27 0.00 -0.00 0.00 0.00 60.37 59.54 1wge h HIS 12 Cb 1.25 -0.04 -0.18 0.00 -0.00 0.00 0.00 27.41 28.45 1wge h HIS 12 CO 0.49 1.55 0.82 -0.51 -0.00 0.00 0.00 177.93 180.28 1wge s ASP 13 N -7.46 -0.12 -0.41 3.26 1.01 -1.26 -5.11 116.67 106.58 1wge s ASP 13 Ca -0.11 -0.02 -0.13 0.00 0.71 0.00 0.00 52.55 53.00 1wge s ASP 13 Cb 0.04 0.14 0.04 0.00 1.01 0.00 0.00 42.92 44.15 1wge s ASP 13 CO 0.92 -0.23 0.29 -1.61 0.21 0.00 0.00 175.17 174.74 1wge s GLU 14 N -2.40 2.88 -0.04 8.23 2.02 -1.26 -2.80 118.70 125.33 1wge s GLU 14 Ca 0.10 -1.16 0.05 0.00 0.02 0.00 0.00 54.97 53.98 1wge s GLU 14 Cb -0.00 -3.91 -0.02 0.00 0.10 0.00 0.00 34.13 30.29 1wge s GLU 14 CO -0.04 -0.82 -0.18 0.08 0.02 0.00 0.00 175.26 174.32 1wge s VAL 15 N 1.60 2.73 0.13 2.63 1.01 -0.39 -4.94 120.40 123.17 1wge s VAL 15 Ca 0.04 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1wge s VAL 15 Cb -0.21 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1wge s VAL 15 CO 0.07 0.58 0.92 -1.61 0.00 0.00 0.00 175.10 175.07 1wge s GLU 16 N -0.63 4.69 0.47 2.72 2.02 -1.26 -0.41 118.70 126.30 1wge s GLU 16 Ca 0.09 1.39 0.31 0.00 0.02 0.00 0.00 54.97 56.79 1wge s GLU 16 Cb -0.11 -3.35 1.41 0.00 0.10 0.00 0.00 34.13 32.18 1wge s GLU 16 CO 0.00 0.29 1.71 0.97 0.02 0.00 0.00 175.26 178.26 1wge h ILE 17 N 3.86 0.30 -1.20 -1.63 6.09 -1.35 0.29 117.51 123.86 1wge h ILE 17 Ca -0.44 -0.05 0.36 0.00 -1.37 0.00 0.00 64.86 63.36 1wge h ILE 17 Cb 1.21 0.15 -0.10 0.00 0.47 0.00 0.00 36.82 38.54 1wge h ILE 17 CO 0.71 0.02 0.79 -0.33 -3.07 0.00 0.00 178.15 176.27 1wge h GLU 18 N 0.14 0.20 0.08 2.19 5.08 -1.92 0.79 114.58 121.15 1wge h GLU 18 Ca 0.70 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.80 1wge h GLU 18 Cb 2.35 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.54 1wge h GLU 18 CO -0.22 0.13 -1.16 -0.44 -1.00 0.00 0.00 179.01 176.33 1wge h ASP 19 N 0.21 0.28 -3.66 1.42 5.19 -0.81 -3.46 116.42 115.59 1wge h ASP 19 Ca 0.70 -0.30 -0.55 0.00 -0.62 0.00 0.00 57.03 56.26 1wge h ASP 19 Cb 2.11 -0.09 0.18 0.00 0.18 0.00 0.00 39.33 41.71 1wge h ASP 19 CO -0.32 1.23 -0.06 0.49 -3.12 0.00 0.00 179.24 177.47 1wge n PHE 20 N -3.47 0.17 -3.63 4.55 3.01 0.27 -4.97 117.46 113.40 1wge n PHE 20 Ca -0.06 0.37 -0.39 0.00 1.01 0.00 0.00 57.45 58.38 1wge n PHE 20 Cb 1.00 -2.01 -0.11 0.00 -0.01 0.00 0.00 39.48 38.34 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 -3.34 3.24 0.02 -1.08 2.00 -0.59 -4.84 119.66 115.06 1wge s GLN 21 Ca 0.70 -0.79 -0.23 0.00 -2.00 0.00 0.00 55.36 53.03 1wge s GLN 21 Cb -0.32 -3.63 -0.05 0.00 0.80 0.00 0.00 33.01 29.81 1wge s GLN 21 CO 0.54 -0.48 0.69 -0.47 -0.50 0.00 0.00 175.29 175.07 1wge s TYR 22 N 1.61 3.70 -0.31 1.67 5.04 -1.26 -0.86 117.35 126.93 1wge s TYR 22 Ca 0.04 1.34 0.02 0.00 -2.44 0.00 0.00 57.07 56.04 1wge s TYR 22 Cb -0.18 -2.74 0.09 0.00 0.35 0.00 0.00 41.96 39.49 1wge s TYR 22 CO 0.07 0.29 0.05 0.34 -1.34 0.00 0.00 175.55 174.95 1wge s ASP 23 N -0.03 4.39 0.44 4.32 -1.08 -0.56 -4.98 116.67 119.18 1wge s ASP 23 Ca 0.35 -1.84 0.26 0.00 -0.52 0.00 0.00 52.55 50.81 1wge s ASP 23 Cb -0.19 -1.30 1.29 0.00 -1.46 0.00 0.00 42.92 41.25 1wge s ASP 23 CO 0.20 -0.37 1.75 1.05 0.52 0.00 0.00 175.17 178.32 1wge h GLU 24 N 7.82 0.23 -0.79 4.34 4.11 -1.95 0.16 114.58 128.49 1wge h GLU 24 Ca -0.09 -0.01 0.13 0.00 0.07 0.00 0.00 59.36 59.45 1wge h GLU 24 Cb 1.03 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.09 1wge h GLU 24 CO 0.49 0.15 -0.30 -0.25 0.07 0.00 0.00 179.01 179.17 1wge n ASP 25 N -4.51 -0.49 -0.91 3.06 9.92 -1.26 -2.05 116.55 120.32 1wge n ASP 25 Ca 0.28 1.38 0.04 0.00 -0.53 0.00 0.00 54.79 55.96 1wge n ASP 25 Cb 1.09 -0.33 0.07 0.00 -0.64 0.00 0.00 41.12 41.31 1wge n ASP 25 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wge n SER 26 N -5.18 1.10 -4.13 -2.24 7.64 -0.66 -5.01 113.62 105.14 1wge n SER 26 Ca 0.09 -2.56 -0.35 0.00 1.01 0.00 0.00 58.87 57.06 1wge n SER 26 Cb 0.33 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 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 -0.20 -0.68 -4.27 1.43 1.02 0.47 -4.82 120.64 113.58 1wge n GLU 27 Ca 0.09 0.05 -0.18 0.00 -0.02 0.00 0.00 57.16 57.10 1wge n GLU 27 Cb 0.89 -2.85 -0.13 0.00 -0.02 0.00 0.00 31.44 29.33 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 -4.03 0.97 0.45 2.62 2.01 -1.16 -1.80 115.64 114.69 1wge s THR 28 Ca 0.18 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 1wge s THR 28 Cb -0.10 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1wge s THR 28 CO 0.91 -0.07 0.67 -0.31 -0.69 0.00 0.00 174.62 175.13 1wge s TYR 29 N -0.92 3.28 0.08 4.92 1.51 -0.57 -1.49 117.35 124.16 1wge s TYR 29 Ca -0.01 0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1wge s TYR 29 Cb -0.08 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1wge s TYR 29 CO 0.01 -0.31 -0.00 -0.06 -1.11 0.00 0.00 175.55 174.08 1wge s PHE 30 N -2.55 0.67 -0.24 2.71 0.08 -0.04 -2.65 117.98 115.96 1wge s PHE 30 Ca 0.47 -1.12 -0.26 0.00 0.12 0.00 0.00 56.93 56.14 1wge s PHE 30 Cb -0.10 -0.43 0.09 0.00 -0.57 0.00 0.00 43.02 42.01 1wge s PHE 30 CO 0.38 -0.42 0.84 -0.47 -0.10 0.00 0.00 175.22 175.45 1wge s TYR 31 N -3.95 -0.64 -0.24 0.36 5.04 -1.17 -1.54 117.35 115.21 1wge s TYR 31 Ca 0.14 1.48 -0.29 0.00 -2.44 0.00 0.00 57.07 55.95 1wge s TYR 31 Cb 0.08 0.33 -0.02 0.00 0.35 0.00 0.00 41.96 42.70 1wge s TYR 31 CO -0.05 -0.36 1.62 -1.25 -1.34 0.00 0.00 175.55 174.17 1wge s PRO 32 N 0.01 3.74 0.03 4.97 0.04 -1.26 0.10 135.00 142.63 1wge s PRO 32 Ca -0.01 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 1wge s PRO 32 Cb -0.04 -4.05 -0.06 0.00 0.04 0.00 0.00 34.50 30.39 1wge s PRO 32 CO -0.00 -1.36 0.62 0.00 0.04 0.00 0.00 177.00 176.30 1wge n PRO 34 N 2.38 0.49 -0.00 0.00 -0.04 -1.26 -2.59 135.00 133.98 1wge n PRO 34 Ca -0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1wge n PRO 34 Cb 0.51 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 3.47 -1.16 3.76 0.00 0.00 -1.07 -5.08 105.19 105.12 1wge n GLY 36 Ca -0.00 0.43 -0.39 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.40 5.81 -0.02 1.61 1.11 -1.26 -4.53 116.67 116.99 1wge s ASP 37 Ca 0.00 2.74 -0.26 0.00 0.18 0.00 0.00 52.55 55.22 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 -1.20 0.80 0.20 1.18 0.00 0.00 175.17 176.15 1wge s ASN 38 N -0.80 7.16 1.07 0.27 0.01 -1.26 -3.50 114.94 117.90 1wge s ASN 38 Ca 0.64 1.40 -0.19 0.00 -0.71 0.00 0.00 52.86 54.00 1wge s ASN 38 Cb -0.40 -2.47 0.04 0.00 0.41 0.00 0.00 41.25 38.83 1wge s ASN 38 CO 0.49 -0.13 -0.14 0.49 -1.51 0.00 0.00 177.10 176.31 1wge n PHE 39 N 3.57 -1.58 -3.65 2.20 3.72 0.28 -4.67 117.46 117.32 1wge n PHE 39 Ca 0.01 0.21 -0.08 0.00 -0.05 0.00 0.00 57.45 57.54 1wge n PHE 39 Cb 0.51 -1.58 -0.08 0.00 -0.94 0.00 0.00 39.48 37.39 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 -2.23 -1.74 -0.09 4.37 0.00 -1.16 -3.04 121.76 117.87 1wge s ALA 40 Ca 0.53 2.27 -0.03 0.00 0.00 0.00 0.00 51.96 54.73 1wge s ALA 40 Cb -0.11 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.72 1wge s ALA 40 CO 0.67 -0.36 0.13 -1.50 0.00 0.00 0.00 175.76 174.70 1wge s ILE 41 N 1.58 -0.20 0.14 0.00 2.07 -1.08 -3.40 121.20 120.30 1wge s ILE 41 Ca -0.10 0.27 -0.31 0.00 -1.41 0.00 0.00 60.65 59.10 1wge s ILE 41 Cb -0.06 -0.32 -0.09 0.00 0.13 0.00 0.00 42.46 42.12 1wge s ILE 41 CO -0.18 0.08 1.55 0.42 -1.91 0.00 0.00 174.94 174.89 1wge s THR 42 N 2.24 2.81 0.38 4.00 -4.23 -1.26 -1.51 115.64 118.07 1wge s THR 42 Ca 0.04 0.54 0.19 0.00 -1.18 0.00 0.00 61.69 61.28 1wge s THR 42 Cb -0.13 -3.35 0.38 0.00 1.34 0.00 0.00 72.50 70.75 1wge s THR 42 CO -0.06 0.04 1.69 0.50 -0.54 0.00 0.00 174.62 176.25 1wge h LYS 43 N 7.03 0.31 -0.80 3.99 3.11 -1.67 0.44 116.57 128.97 1wge h LYS 43 Ca -0.42 -0.02 0.08 0.00 -2.81 0.00 0.00 60.65 57.48 1wge h LYS 43 Cb 1.20 -0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 32.30 1wge h LYS 43 CO 0.91 0.20 0.46 1.49 -2.81 0.00 0.00 179.45 179.70 1wge h GLU 44 N 0.32 0.77 0.16 1.90 4.57 -1.90 -2.45 114.58 117.96 1wge h GLU 44 Ca 0.70 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 1wge h GLU 44 Cb 1.78 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 30.19 1wge h GLU 44 CO -0.45 0.51 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.30 1wge h ASP 45 N 0.80 -0.39 -0.62 1.04 3.32 -0.49 -2.75 116.42 117.34 1wge h ASP 45 Ca 0.38 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.56 1wge h ASP 45 Cb 0.30 0.13 -0.11 0.00 0.22 0.00 0.00 39.33 39.88 1wge h ASP 45 CO -0.23 -0.23 -0.41 -0.07 -1.72 0.00 0.00 179.24 176.58 1wge h LEU 46 N -0.33 -1.44 -2.01 1.55 3.38 -1.35 0.77 115.31 115.89 1wge h LEU 46 Ca 0.00 0.25 0.16 0.00 0.09 0.00 0.00 57.88 58.38 1wge h LEU 46 Cb 0.31 0.67 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1wge h LEU 46 CO -0.03 -0.32 0.43 -0.33 0.09 0.00 0.00 178.44 178.28 1wge h GLU 47 N -0.20 0.00 -0.17 1.13 5.08 -1.35 0.57 114.58 119.64 1wge h GLU 47 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 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 -0.71 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.39 1wge n ASN 48 N -4.20 0.23 -2.12 1.42 3.02 0.27 -4.84 115.26 109.04 1wge n ASN 48 Ca 0.10 -2.00 -0.14 0.00 -0.03 0.00 0.00 54.58 52.51 1wge n ASN 48 Cb 0.66 -0.09 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 0.44 -0.05 0.06 7.41 0.00 0.20 -4.96 105.19 108.29 1wge n GLY 49 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.11 0.00 -6.43 1.61 4.39 -1.49 -3.48 114.58 108.06 1wge h GLU 50 Ca -0.34 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.87 1wge h GLU 50 Cb 1.23 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.81 1wge h GLU 50 CO 0.36 0.19 -0.81 -0.40 -1.16 0.00 0.00 179.01 177.19 1wge n ASP 51 N -4.67 -3.09 -3.73 1.42 5.75 -1.26 -4.92 116.55 106.04 1wge n ASP 51 Ca -0.07 -0.89 -0.14 0.00 -0.01 0.00 0.00 54.79 53.69 1wge n ASP 51 Cb 0.21 -3.45 -0.14 0.00 -1.03 0.00 0.00 41.12 36.70 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 -3.47 -0.10 -0.18 2.12 1.01 -1.26 -1.84 120.40 116.69 1wge s VAL 52 Ca 0.48 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1wge s VAL 52 Cb -0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1wge s VAL 52 CO 0.86 0.09 -0.07 0.00 0.00 0.00 0.00 175.10 175.98 1wge s ALA 53 N 1.43 2.79 -0.03 5.51 0.00 -1.19 -4.81 121.76 125.45 1wge s ALA 53 Ca -0.07 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1wge s ALA 53 Cb -0.11 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1wge s ALA 53 CO -0.06 -0.14 0.22 0.99 0.00 0.00 0.00 175.76 176.77 1wge s THR 54 N 0.99 5.37 -0.17 0.00 2.01 -1.22 -3.45 115.64 119.18 1wge s THR 54 Ca -0.00 0.14 -0.11 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 0.00 0.43 0.20 0.00 -0.69 0.00 0.00 174.62 174.56 1wge n PRO 56 N 3.25 0.49 0.03 0.00 -0.04 -1.26 0.24 135.00 137.70 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 -1.11 -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 0.59 0.00 3.54 2.88 -1.26 -4.86 113.62 113.90 1wge n SER 57 Ca 0.03 0.07 0.11 0.00 -1.33 0.00 0.00 58.87 57.75 1wge n SER 57 Cb 0.01 -0.18 -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 -1.90 -4.45 -4.77 0.00 7.64 0.14 -4.90 113.62 105.38 1wge n SER 59 Ca 0.00 -0.08 -0.39 0.00 1.01 0.00 0.00 58.87 59.42 1wge n SER 59 Cb 0.45 -3.51 -0.00 0.00 -1.01 0.00 0.00 64.21 60.13 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 -4.29 4.12 -0.17 -3.43 1.43 -1.26 -4.37 118.68 110.71 1wge s LEU 60 Ca 0.07 2.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.73 1wge s LEU 60 Cb -0.03 -4.04 0.01 0.00 0.03 0.00 0.00 46.19 42.16 1wge s LEU 60 CO 0.09 -0.93 -0.19 0.27 0.23 0.00 0.00 176.35 175.82 1wge s ILE 61 N -1.35 2.20 0.21 -0.59 -4.36 -1.25 -2.84 121.20 113.21 1wge s ILE 61 Ca 0.60 -0.91 0.11 0.00 -0.26 0.00 0.00 60.65 60.20 1wge s ILE 61 Cb -0.35 -1.91 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 1wge s ILE 61 CO 0.44 0.53 -0.23 0.27 0.24 0.00 0.00 174.94 176.19 1wge s ILE 62 N 1.11 2.39 -0.28 8.37 -4.36 -1.22 -3.17 121.20 124.04 1wge s ILE 62 Ca 0.00 -2.11 -0.25 0.00 -0.26 0.00 0.00 60.65 58.04 1wge s ILE 62 Cb -0.14 -2.17 -0.00 0.00 1.25 0.00 0.00 42.46 41.40 1wge s ILE 62 CO -0.08 -0.18 0.84 -0.75 0.24 0.00 0.00 174.94 175.01 1wge s LYS 63 N -2.85 4.08 -0.55 0.37 2.47 -1.12 -3.20 119.74 118.95 1wge s LYS 63 Ca 0.23 0.81 -0.20 0.00 -1.56 0.00 0.00 55.97 55.25 1wge s LYS 63 Cb -0.07 -3.69 0.07 0.00 -1.46 0.00 0.00 37.83 32.68 1wge s LYS 63 CO 0.11 -0.62 0.72 0.08 0.16 0.00 0.00 175.35 175.80 1wge s VAL 64 N 2.97 4.74 -0.61 4.02 1.01 -0.76 -1.27 120.40 130.50 1wge s VAL 64 Ca 0.35 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 1wge s VAL 64 Cb -0.14 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1wge s VAL 64 CO 0.10 -0.98 1.30 -0.63 0.00 0.00 0.00 175.10 174.89 1wge s ILE 65 N 2.96 3.86 0.17 2.22 -1.09 0.45 -4.71 121.20 125.05 1wge s ILE 65 Ca 0.17 0.70 0.02 0.00 -2.23 0.00 0.00 60.65 59.31 1wge s ILE 65 Cb -0.19 -4.66 -0.05 0.00 -1.58 0.00 0.00 42.46 35.99 1wge s ILE 65 CO 0.11 -1.39 -0.02 -0.72 -1.23 0.00 0.00 174.94 171.69 1wge s TYR 66 N 5.60 1.24 -0.67 3.97 -0.85 -1.26 -1.00 117.35 124.39 1wge s TYR 66 Ca 0.45 -0.96 -0.20 0.00 -0.52 0.00 0.00 57.07 55.84 1wge s TYR 66 Cb -0.09 -0.70 0.10 0.00 0.38 0.00 0.00 41.96 41.65 1wge s TYR 66 CO 0.23 -0.14 0.87 -0.51 -1.52 0.00 0.00 175.55 174.48 1wge s ASP 67 N -3.18 6.24 0.38 -0.18 1.11 -1.26 -4.90 116.67 114.89 1wge s ASP 67 Ca 0.22 -1.35 0.12 0.00 0.18 0.00 0.00 52.55 51.73 1wge s ASP 67 Cb 0.05 -2.36 0.92 0.00 1.07 0.00 0.00 42.92 42.61 1wge s ASP 67 CO 0.03 -1.24 1.88 0.11 1.18 0.00 0.00 175.17 177.13 1wge h LYS 68 N 9.28 0.55 -0.47 8.23 1.57 -1.99 -0.66 116.57 133.09 1wge h LYS 68 Ca -0.23 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1wge h LYS 68 Cb 1.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1wge h LYS 68 CO 1.13 0.37 0.96 -0.44 -0.57 0.00 0.00 179.45 180.90 1wge h ASP 69 N 0.57 0.00 0.00 0.86 5.19 -1.99 0.81 116.42 121.87 1wge h ASP 69 Ca 0.43 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.49 1wge h ASP 69 Cb 0.83 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.28 1wge h ASP 69 CO -0.18 0.00 -2.33 0.00 -3.12 0.00 0.00 179.24 173.61 1wge n GLN 70 N -2.97 0.70 0.01 3.56 -0.00 -0.26 -4.04 117.38 114.37 1wge n GLN 70 Ca 0.10 0.10 -0.13 0.00 -0.00 0.00 0.00 57.00 57.07 1wge n GLN 70 Cb 1.11 -1.47 -0.10 0.00 -0.00 0.00 0.00 30.24 29.78 1wge n GLN 70 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1wge h PHE 71 N 0.00 -0.05 0.05 2.61 -1.00 0.40 -3.30 116.94 115.65 1wge h PHE 71 Ca -0.52 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.28 1wge h PHE 71 Cb 1.91 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 41.46 1wge h PHE 71 CO 0.02 0.42 -0.17 0.52 -1.61 0.00 0.00 178.31 177.49 1wge h MET 72 N -0.54 -0.29 -7.43 1.51 2.86 -0.33 -3.43 114.93 107.27 1wge h MET 72 Ca -0.01 0.02 -0.49 0.00 -2.06 0.00 0.00 59.70 57.17 1wge h MET 72 Cb 0.49 0.07 0.11 0.00 0.06 0.00 0.00 31.60 32.33 1wge h MET 72 CO 0.01 -0.20 0.34 0.00 1.06 0.00 0.00 176.91 178.13 1wge n GLY 74 N -2.25 -0.69 3.78 0.00 0.00 -1.26 -4.83 105.19 99.93 1wge n GLY 74 Ca 0.07 0.85 -0.33 0.00 0.00 0.00 0.00 46.02 46.60 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 2.98 0.95 1.61 2.12 -1.26 -4.99 118.70 120.12 1wge s GLU 75 Ca 0.00 1.40 -0.12 0.00 0.36 0.00 0.00 54.97 56.61 1wge s GLU 75 Cb 0.00 -1.97 0.07 0.00 0.26 0.00 0.00 34.13 32.48 1wge s GLU 75 CO 0.00 -1.11 0.55 0.25 -0.54 0.00 0.00 175.26 174.42 1wge n THR 76 N -2.15 0.00 -4.68 -1.70 -2.24 -1.26 -5.02 114.28 97.23 1wge n THR 76 Ca 0.10 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 1wge n THR 76 Cb 0.52 -0.70 -0.16 0.00 -2.10 0.00 0.00 70.33 67.88 1wge n THR 76 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wge s VAL 77 N -2.44 1.25 -0.50 2.28 1.01 -1.26 -5.10 120.40 115.64 1wge s VAL 77 Ca 0.59 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1wge s VAL 77 Cb -0.21 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1wge s VAL 77 CO 0.65 0.38 0.98 -0.55 0.00 0.00 0.00 175.10 176.56 1wge s SER 78 N 0.51 6.47 0.00 3.32 0.15 -1.26 -4.58 113.70 118.31 1wge s SER 78 Ca -0.13 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1wge s SER 78 Cb -0.15 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1wge s SER 78 CO 0.04 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 173.92 1wge n GLY 79 N 4.99 -0.49 3.64 9.45 0.00 -1.26 -5.14 105.19 116.38 1wge n GLY 79 Ca 0.06 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.21 -1.10 1.61 0.04 -1.26 -4.98 135.00 129.11 1wge s PRO 80 Ca 0.00 0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.26 1wge s PRO 80 Cb 0.00 -1.68 0.28 0.00 0.04 0.00 0.00 34.50 33.13 1wge s PRO 80 CO 0.00 -3.11 1.11 0.45 0.04 0.00 0.00 177.00 175.49 1wge n SER 81 N -4.40 5.46 -0.02 6.66 2.88 -1.26 -4.66 113.62 118.26 1wge n SER 81 Ca 0.08 -3.06 -0.04 0.00 -1.33 0.00 0.00 58.87 54.51 1wge n SER 81 Cb 0.58 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.67 1wge n SER 81 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wge n SER 82 N 2.59 2.41 0.00 -3.46 3.41 -1.26 -5.23 113.62 112.08 1wge n SER 82 Ca 0.24 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1wge n SER 82 Cb 0.39 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1wge n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49