#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo n SER 0 N 0.00 -0.39 -4.53 1.61 3.41 -1.26 -3.80 113.62 108.67 2wgo n SER 0 Ca 0.00 -2.04 -0.28 0.00 -0.26 0.00 0.00 58.87 56.30 2wgo n SER 0 Cb 0.00 0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 2wgo n SER 0 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wgo n LEU 1 N -0.16 0.62 0.09 1.04 7.99 -1.26 -3.17 117.00 122.15 2wgo n LEU 1 Ca -0.15 -0.60 0.00 0.00 -0.01 0.00 0.00 56.01 55.25 2wgo n LEU 1 Cb 0.85 -1.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 2wgo n LEU 1 CO -0.10 -1.60 0.00 -0.38 -1.51 0.00 0.00 177.39 173.80 2wgo n ILE 2 N 7.38 0.00 0.32 -0.08 2.08 -1.26 -4.96 119.36 122.84 2wgo n ILE 2 Ca 0.55 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.90 2wgo n ILE 2 Cb 0.28 -0.39 0.01 0.00 -0.75 0.00 0.00 39.64 38.78 2wgo n ILE 2 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wgo n LEU 3 N -3.05 1.23 -3.66 1.39 4.32 -1.25 -4.86 117.00 111.12 2wgo n LEU 3 Ca 0.00 -0.84 -0.23 0.00 -0.02 0.00 0.00 56.01 54.92 2wgo n LEU 3 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 2wgo n LEU 3 CO 0.00 0.25 0.08 0.47 -1.22 0.00 0.00 177.39 176.97 2wgo n ASP 4 N -0.07 -3.30 -0.27 -1.43 8.00 -1.22 -2.51 116.55 115.75 2wgo n ASP 4 Ca 0.03 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2wgo n ASP 4 Cb 0.16 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wgo n GLY 5 N -1.58 0.88 2.65 0.44 0.00 -0.15 -4.74 105.19 102.68 2wgo n GLY 5 Ca -0.16 -0.60 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2wgo n GLY 5 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wgo n ASP 6 N 1.34 -1.26 -0.48 1.61 -0.08 0.68 -4.56 116.55 113.80 2wgo n ASP 6 Ca 0.00 1.32 0.00 0.00 -1.51 0.00 0.00 54.79 54.60 2wgo n ASP 6 Cb 0.40 -4.96 0.00 0.00 2.34 0.00 0.00 41.12 38.90 2wgo n ASP 6 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wgo n LEU 7 N 1.75 0.00 -4.55 -2.67 -0.00 -1.16 -5.04 117.00 105.33 2wgo n LEU 7 Ca -0.38 -0.98 -0.41 0.00 -0.00 0.00 0.00 56.01 54.25 2wgo n LEU 7 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.97 2wgo n LEU 7 CO 0.37 0.56 1.23 -0.22 -0.00 0.00 0.00 177.39 179.33 2wgo s LEU 8 N 0.00 3.18 0.00 1.47 2.96 -1.26 -4.69 118.68 120.34 2wgo s LEU 8 Ca 0.00 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2wgo s LEU 8 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2wgo s LEU 8 CO 0.00 -1.89 0.71 2.29 -1.32 0.00 0.00 176.35 176.14 2wgo n LYS 9 N 9.34 1.22 0.00 1.98 2.85 -1.26 -4.83 118.16 127.46 2wgo n LYS 9 Ca 0.06 -0.97 0.00 0.00 -1.05 0.00 0.00 58.31 56.35 2wgo n LYS 9 Cb 0.49 -0.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.97 2wgo n LYS 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2wgo n ASP 10 N -0.25 0.00 -4.59 -5.58 2.03 -1.26 -4.98 116.55 101.92 2wgo n ASP 10 Ca 0.00 0.09 -0.25 0.00 0.52 0.00 0.00 54.79 55.15 2wgo n ASP 10 Cb 0.21 -0.14 0.12 0.00 -0.72 0.00 0.00 41.12 40.59 2wgo n ASP 10 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2wgo s LYS 11 N -0.27 1.51 0.00 -0.67 -2.85 -1.26 -5.00 119.74 111.19 2wgo s LYS 11 Ca 0.00 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.94 2wgo s LYS 11 Cb 0.00 -2.26 0.00 0.00 -2.06 0.00 0.00 37.83 33.51 2wgo s LYS 11 CO 0.00 -1.60 0.00 -0.11 0.10 0.00 0.00 175.35 173.74 2wgo n LEU 12 N -2.98 0.00 -3.88 2.77 7.94 -1.26 -4.90 117.00 114.68 2wgo n LEU 12 Ca 0.15 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.75 2wgo n LEU 12 Cb 0.60 0.16 -0.14 0.00 0.53 0.00 0.00 43.42 44.58 2wgo n LEU 12 CO 0.43 -0.16 -0.25 -0.54 -1.11 0.00 0.00 177.39 175.75 2wgo s LYS 13 N -1.74 1.53 0.20 1.96 1.02 -1.25 -3.06 119.74 118.39 2wgo s LYS 13 Ca 0.00 -2.10 0.04 0.00 0.02 0.00 0.00 55.97 53.93 2wgo s LYS 13 Cb 0.00 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 2wgo s LYS 13 CO 0.00 -1.06 0.30 -0.51 -0.92 0.00 0.00 175.35 173.15 2wgo s LEU 14 N 0.40 4.24 0.00 3.17 1.43 -0.99 -4.99 118.68 121.94 2wgo s LEU 14 Ca 0.15 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2wgo s LEU 14 Cb -0.23 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2wgo s LEU 14 CO -0.05 -0.00 0.00 -0.81 0.23 0.00 0.00 176.35 175.72 2wgo n PRO 15 N -0.93 0.22 -2.07 1.29 -0.04 -1.26 -3.85 135.00 128.36 2wgo n PRO 15 Ca -0.08 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 2wgo n PRO 15 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2wgo n PRO 15 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wgo s VAL 16 N -0.44 3.58 0.47 0.52 0.11 -1.25 -4.38 120.40 119.00 2wgo s VAL 16 Ca 0.00 0.60 0.06 0.00 -2.93 0.00 0.00 61.98 59.71 2wgo s VAL 16 Cb 0.00 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 31.14 2wgo s VAL 16 CO 0.00 -0.44 0.64 0.27 -3.33 0.00 0.00 175.10 172.24 2wgo s ILE 17 N 6.35 2.84 0.00 7.04 -4.36 0.29 -4.86 121.20 128.51 2wgo s ILE 17 Ca 0.76 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 60.23 2wgo s ILE 17 Cb -0.22 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.57 2wgo s ILE 17 CO 0.33 0.00 0.00 -0.90 0.24 0.00 0.00 174.94 174.61 2wgo n ASP 18 N -2.01 0.00 -3.24 4.36 5.68 -1.26 -1.66 116.55 118.42 2wgo n ASP 18 Ca 0.09 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.16 2wgo n ASP 18 Cb 0.59 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.54 2wgo n ASP 18 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2wgo n ASN 19 N 0.00 1.90 0.00 -1.12 3.02 -1.26 -4.39 115.26 113.41 2wgo n ASN 19 Ca 0.00 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 2wgo n ASN 19 Cb 0.00 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 2wgo n ASN 19 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wgo n LEU 20 N 5.96 0.00 -0.22 3.41 4.77 -1.26 -4.75 117.00 124.91 2wgo n LEU 20 Ca 0.29 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.27 2wgo n LEU 20 Cb 0.18 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2wgo n LEU 20 CO 0.78 0.00 1.02 0.15 -1.33 0.00 0.00 177.39 178.00 2wgo h PHE 21 N 0.00 0.49 -0.11 -1.77 3.57 -1.96 0.71 116.94 117.88 2wgo h PHE 21 Ca 0.00 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.31 2wgo h PHE 21 Cb 0.00 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 38.63 2wgo h PHE 21 CO 0.00 0.14 -0.82 0.78 -2.23 0.00 0.00 178.31 176.19 2wgo h GLY 22 N 0.48 0.74 1.72 2.40 0.00 -1.85 -2.52 103.07 104.04 2wgo h GLY 22 Ca 0.33 -1.10 -0.14 0.00 0.00 0.00 0.00 47.33 46.42 2wgo h GLY 22 CO -0.30 0.98 -0.53 1.70 0.00 0.00 0.00 176.54 178.39 2wgo h LYS 23 N 0.45 0.30 -0.10 4.80 1.63 -1.67 -2.50 116.57 119.47 2wgo h LYS 23 Ca -0.06 -0.18 0.03 0.00 -0.85 0.00 0.00 60.65 59.59 2wgo h LYS 23 Cb 1.44 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 33.06 2wgo h LYS 23 CO 0.16 0.76 -0.07 0.93 -3.45 0.00 0.00 179.45 177.78 2wgo h GLU 24 N 0.23 -0.07 -0.00 1.90 4.39 0.48 0.32 114.58 121.83 2wgo h GLU 24 Ca 0.01 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2wgo h GLU 24 Cb 1.01 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2wgo h GLU 24 CO 0.09 -0.04 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.70 2wgo h LEU 25 N -0.07 -0.39 -1.59 1.33 3.38 -1.18 -0.41 115.31 116.38 2wgo h LEU 25 Ca 0.06 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.25 2wgo h LEU 25 Cb 0.16 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 2wgo h LEU 25 CO -0.14 -0.12 0.54 -0.07 0.09 0.00 0.00 178.44 178.74 2wgo h LEU 26 N -0.15 0.36 -0.04 1.67 3.38 -1.38 0.54 115.31 119.68 2wgo h LEU 26 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wgo h LEU 26 Cb 0.17 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wgo h LEU 26 CO -0.09 0.17 -0.02 -0.78 0.09 0.00 0.00 178.44 177.81 2wgo h ASP 27 N 0.37 0.09 -0.32 -0.43 3.58 0.05 0.22 116.42 119.99 2wgo h ASP 27 Ca 0.41 -0.43 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2wgo h ASP 27 Cb 1.02 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 2wgo h ASP 27 CO -0.13 0.50 0.02 0.11 -2.88 0.00 0.00 179.24 176.87 2wgo h LYS 28 N -0.32 0.54 -0.64 0.28 1.57 -0.47 -3.08 116.57 114.47 2wgo h LYS 28 Ca 0.01 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2wgo h LYS 28 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2wgo h LYS 28 CO 0.01 0.66 0.00 1.19 -0.57 0.00 0.00 179.45 180.74 2wgo n PHE 29 N -4.58 1.12 -0.27 -1.35 3.72 0.12 -4.04 117.46 112.19 2wgo n PHE 29 Ca -0.02 -0.43 -0.05 0.00 -0.05 0.00 0.00 57.45 56.90 2wgo n PHE 29 Cb 0.24 -0.23 0.06 0.00 -0.94 0.00 0.00 39.48 38.61 2wgo n PHE 29 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2wgo h GLN 30 N 2.77 1.00 -0.88 -1.08 4.15 -0.84 0.35 115.11 120.59 2wgo h GLN 30 Ca 0.00 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.36 2wgo h GLN 30 Cb 1.18 -0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.61 2wgo h GLN 30 CO 0.20 0.72 0.58 -0.44 -1.93 0.00 0.00 178.83 177.96 2wgo h ASP 31 N 1.00 0.95 0.07 -0.69 3.32 -1.82 0.20 116.42 119.46 2wgo h ASP 31 Ca 0.26 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 2wgo h ASP 31 Cb -0.02 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2wgo h ASP 31 CO -0.05 0.65 -0.03 -0.78 -1.72 0.00 0.00 179.24 177.31 2wgo h ASP 32 N 1.10 -0.08 0.35 6.45 3.58 -1.43 0.17 116.42 126.56 2wgo h ASP 32 Ca 0.35 -0.41 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 2wgo h ASP 32 Cb 0.01 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2wgo h ASP 32 CO -0.10 0.39 -0.31 0.40 -2.88 0.00 0.00 179.24 176.74 2wgo h ILE 33 N -0.57 1.17 0.00 2.25 2.04 -0.22 -0.20 117.51 121.98 2wgo h ILE 33 Ca -0.01 -1.09 -0.23 0.00 1.00 0.00 0.00 64.86 64.53 2wgo h ILE 33 Cb 0.49 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2wgo h ILE 33 CO 0.02 0.31 -1.29 0.50 0.00 0.00 0.00 178.15 177.68 2wgo h LYS 34 N 0.00 0.00 -0.14 2.37 3.64 -0.53 0.16 116.57 122.07 2wgo h LYS 34 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2wgo h LYS 34 Cb 0.57 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2wgo h LYS 34 CO 0.04 0.70 -0.07 0.22 -2.27 0.00 0.00 179.45 178.08 2wgo h ASP 35 N 0.00 0.31 0.44 4.20 1.82 -0.35 -1.60 116.42 121.24 2wgo h ASP 35 Ca -0.13 -0.41 -0.02 0.00 -0.39 0.00 0.00 57.03 56.07 2wgo h ASP 35 Cb 1.83 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.76 2wgo h ASP 35 CO 0.10 0.65 -0.21 0.11 -1.61 0.00 0.00 179.24 178.28 2wgo h LYS 36 N -0.03 -0.57 0.00 0.28 1.57 -1.07 -3.41 116.57 113.33 2wgo h LYS 36 Ca 0.03 0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.60 2wgo h LYS 36 Cb 0.53 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.93 2wgo h LYS 36 CO 0.02 -0.38 -1.94 0.66 -0.57 0.00 0.00 179.45 177.24 2wgo n TYR 37 N -4.04 0.00 -0.37 -1.35 4.01 0.45 -5.05 117.16 110.81 2wgo n TYR 37 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2wgo n TYR 37 Cb 0.23 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 2wgo n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wgo n GLY 38 N 2.53 0.82 3.62 2.72 0.00 -0.48 -4.96 105.19 109.45 2wgo n GLY 38 Ca -0.27 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 2wgo n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wgo s VAL 39 N -2.07 3.58 -0.45 1.61 1.01 -1.23 -4.91 120.40 117.93 2wgo s VAL 39 Ca 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.59 2wgo s VAL 39 Cb 0.00 -2.72 0.10 0.00 0.00 0.00 0.00 36.38 33.75 2wgo s VAL 39 CO 0.00 0.03 0.32 -0.62 0.00 0.00 0.00 175.10 174.83 2wgo s ASP 40 N -2.49 5.75 0.19 3.32 -1.08 -1.26 -4.35 116.67 116.76 2wgo s ASP 40 Ca 0.24 -1.67 0.25 0.00 -0.52 0.00 0.00 52.55 50.86 2wgo s ASP 40 Cb -0.11 -2.03 0.89 0.00 -1.46 0.00 0.00 42.92 40.22 2wgo s ASP 40 CO 0.16 -0.63 1.77 0.35 0.52 0.00 0.00 175.17 177.33 2wgo n THR 41 N 4.96 0.61 1.15 1.71 -2.24 -1.26 -2.45 114.28 116.76 2wgo n THR 41 Ca -0.10 -0.11 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 2wgo n THR 41 Cb 0.42 -0.74 0.53 0.00 -2.10 0.00 0.00 70.33 68.44 2wgo n THR 41 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wgo n LYS 42 N -2.15 0.23 0.00 -0.78 4.81 -1.26 -2.70 118.16 116.31 2wgo n LYS 42 Ca 0.05 -0.07 0.10 0.00 -0.87 0.00 0.00 58.31 57.52 2wgo n LYS 42 Cb 0.36 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.83 2wgo n LYS 42 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2wgo n ASP 43 N -1.32 0.91 -4.71 3.14 2.03 -1.02 -4.94 116.55 110.63 2wgo n ASP 43 Ca 0.09 -0.88 -0.41 0.00 0.52 0.00 0.00 54.79 54.11 2wgo n ASP 43 Cb 0.31 0.94 -0.04 0.00 -0.72 0.00 0.00 41.12 41.62 2wgo n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wgo s LEU 44 N -3.06 4.34 -0.28 -2.67 1.43 -1.10 -4.78 118.68 112.56 2wgo s LEU 44 Ca 0.08 1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 54.50 2wgo s LEU 44 Cb 0.16 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2wgo s LEU 44 CO 0.85 -0.22 0.33 -0.75 0.23 0.00 0.00 176.35 176.80 2wgo s LYS 45 N 1.01 3.93 -0.07 1.70 2.36 -1.15 -4.93 119.74 122.58 2wgo s LYS 45 Ca 0.46 -0.12 -0.25 0.00 -2.55 0.00 0.00 55.97 53.51 2wgo s LYS 45 Cb -0.19 -3.68 -0.03 0.00 -1.05 0.00 0.00 37.83 32.87 2wgo s LYS 45 CO 0.23 -0.30 0.80 0.42 1.55 0.00 0.00 175.35 178.05 2wgo s ILE 46 N 1.99 4.97 -0.21 5.43 1.01 -1.26 0.01 121.20 133.15 2wgo s ILE 46 Ca 0.13 1.64 -0.16 0.00 0.00 0.00 0.00 60.65 62.26 2wgo s ILE 46 Cb -0.16 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 2wgo s ILE 46 CO 0.10 0.19 -0.27 0.18 0.00 0.00 0.00 174.94 175.14 2wgo n LEU 47 N 4.05 1.92 -3.56 2.97 4.77 0.15 -4.94 117.00 122.35 2wgo n LEU 47 Ca 0.02 0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 56.18 2wgo n LEU 47 Cb 0.51 -0.81 -0.15 0.00 -2.33 0.00 0.00 43.42 40.64 2wgo n LEU 47 CO 0.49 0.00 -0.25 -0.75 -1.33 0.00 0.00 177.39 175.55 2wgo s LYS 48 N -2.63 0.12 -0.11 3.23 2.20 -0.78 -5.01 119.74 116.76 2wgo s LYS 48 Ca -0.30 0.17 -0.06 0.00 -0.36 0.00 0.00 55.97 55.43 2wgo s LYS 48 Cb 0.07 -1.25 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 2wgo s LYS 48 CO 0.43 -0.60 0.12 0.99 -0.36 0.00 0.00 175.35 175.93 2wgo s THR 49 N 2.26 5.29 0.31 3.43 2.01 -0.66 0.13 115.64 128.41 2wgo s THR 49 Ca 0.05 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.01 2wgo s THR 49 Cb -0.15 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.08 2wgo s THR 49 CO -0.10 0.61 0.65 -0.44 -0.69 0.00 0.00 174.62 174.65 2wgo s SER 50 N -1.03 0.01 -0.01 3.53 0.01 0.15 0.11 113.70 116.47 2wgo s SER 50 Ca 0.15 -0.96 -0.02 0.00 1.31 0.00 0.00 55.95 56.44 2wgo s SER 50 Cb -0.12 0.72 -0.00 0.00 0.21 0.00 0.00 66.02 66.83 2wgo s SER 50 CO 0.04 -1.39 0.04 -1.83 0.41 0.00 0.00 173.24 170.50 2wgo s GLU 51 N -3.36 0.17 0.00 12.44 -1.05 -1.25 -0.07 118.70 125.58 2wgo s GLU 51 Ca 0.18 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 2wgo s GLU 51 Cb -0.04 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 2wgo s GLU 51 CO 0.10 -0.03 0.00 -3.47 0.95 0.00 0.00 175.26 172.82 2wgo n ASP 52 N 2.50 0.00 -4.55 0.83 -0.08 0.70 -2.34 116.55 113.61 2wgo n ASP 52 Ca -0.16 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.82 2wgo n ASP 52 Cb 0.58 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.00 2wgo n ASP 52 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2wgo s LYS 53 N 2.96 2.29 0.00 -0.67 -0.14 -1.26 -3.52 119.74 119.40 2wgo s LYS 53 Ca 0.00 0.53 0.00 0.00 -1.36 0.00 0.00 55.97 55.14 2wgo s LYS 53 Cb 0.00 -4.69 0.00 0.00 -1.68 0.00 0.00 37.83 31.46 2wgo s LYS 53 CO 0.00 -3.36 0.00 0.54 -0.76 0.00 0.00 175.35 171.77 2wgo n ARG 54 N 8.99 0.00 -5.03 1.68 1.74 -1.26 -4.93 116.66 117.85 2wgo n ARG 54 Ca 0.34 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.10 2wgo n ARG 54 Cb 0.50 -3.33 -0.15 0.00 -1.02 0.00 0.00 32.46 28.46 2wgo n ARG 54 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wgo s PHE 55 N -1.86 2.62 0.16 -1.55 2.99 -1.23 -0.30 117.98 118.81 2wgo s PHE 55 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 56.93 56.24 2wgo s PHE 55 Cb 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 43.02 41.27 2wgo s PHE 55 CO 0.00 -0.13 0.49 0.71 -0.00 0.00 0.00 175.22 176.29 2wgo s TYR 56 N -0.12 3.51 -0.34 0.36 2.02 0.14 -0.21 117.35 122.72 2wgo s TYR 56 Ca -0.03 0.85 0.00 0.00 -0.37 0.00 0.00 57.07 57.52 2wgo s TYR 56 Cb -0.14 -2.22 0.11 0.00 -0.40 0.00 0.00 41.96 39.31 2wgo s TYR 56 CO 0.04 0.39 0.12 0.71 -1.57 0.00 0.00 175.55 175.24 2wgo s TYR 57 N -1.61 1.96 -0.71 2.71 2.02 0.90 -1.60 117.35 121.02 2wgo s TYR 57 Ca 0.41 -2.00 -0.13 0.00 -0.37 0.00 0.00 57.07 54.98 2wgo s TYR 57 Cb -0.13 -1.86 0.18 0.00 -0.40 0.00 0.00 41.96 39.75 2wgo s TYR 57 CO 0.20 -0.87 0.63 0.08 -1.57 0.00 0.00 175.55 174.03 2wgo s VAL 58 N 1.30 5.18 -0.28 0.71 1.01 0.22 -0.67 120.40 127.86 2wgo s VAL 58 Ca 0.12 -2.26 -0.29 0.00 0.00 0.00 0.00 61.98 59.54 2wgo s VAL 58 Cb -0.19 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2wgo s VAL 58 CO -0.18 -0.95 1.11 -0.55 0.00 0.00 0.00 175.10 174.52 2wgo s SER 59 N 2.34 6.95 0.14 3.32 0.15 0.12 0.20 113.70 126.91 2wgo s SER 59 Ca 0.14 1.21 0.05 0.00 0.70 0.00 0.00 55.95 58.05 2wgo s SER 59 Cb -0.17 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2wgo s SER 59 CO -0.05 -0.84 -0.12 0.68 1.20 0.00 0.00 173.24 174.11 2wgo s VAL 60 N 3.61 1.31 -0.13 4.45 -7.23 0.16 0.30 120.40 122.86 2wgo s VAL 60 Ca 0.47 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.49 2wgo s VAL 60 Cb -0.14 -1.71 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 2wgo s VAL 60 CO 0.14 -0.57 0.78 -0.62 -0.31 0.00 0.00 175.10 174.51 2wgo s ASP 61 N -2.84 6.97 0.00 4.85 -1.08 0.10 -0.40 116.67 124.26 2wgo s ASP 61 Ca 0.13 1.18 0.14 0.00 -0.52 0.00 0.00 52.55 53.48 2wgo s ASP 61 Cb -0.01 -2.44 0.55 0.00 -1.46 0.00 0.00 42.92 39.56 2wgo s ASP 61 CO 0.02 -0.28 1.39 0.00 0.52 0.00 0.00 175.17 176.83 2wgo n ALA 62 N 4.63 2.51 0.00 3.66 0.00 0.43 -2.95 120.51 128.79 2wgo n ALA 62 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2wgo n ALA 62 Cb 0.50 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2wgo n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgo n GLY 63 N 0.95 2.63 0.09 0.00 0.00 -1.26 -4.80 105.19 102.79 2wgo n GLY 63 Ca 0.12 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2wgo n GLY 63 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wgo n ASP 64 N 0.34 0.58 0.00 1.61 -0.08 -1.26 -4.97 116.55 112.77 2wgo n ASP 64 Ca 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 2wgo n ASP 64 Cb 0.00 0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.75 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 65 N 1.62 0.88 3.74 0.27 0.00 -1.26 -5.11 105.19 105.33 2wgo n GLY 65 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2wgo n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wgo s GLU 66 N 0.00 4.33 -0.42 1.61 2.12 -1.26 -4.85 118.70 120.23 2wgo s GLU 66 Ca 0.00 2.18 -0.02 0.00 0.36 0.00 0.00 54.97 57.50 2wgo s GLU 66 Cb 0.00 -3.15 0.11 0.00 0.26 0.00 0.00 34.13 31.35 2wgo s GLU 66 CO 0.00 -0.34 0.20 0.15 -0.54 0.00 0.00 175.26 174.73 2wgo s LYS 67 N -0.26 1.97 -0.08 4.30 1.02 -1.26 -0.42 119.74 125.00 2wgo s LYS 67 Ca 0.58 -1.92 -0.16 0.00 0.02 0.00 0.00 55.97 54.50 2wgo s LYS 67 Cb -0.39 -3.53 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 2wgo s LYS 67 CO 0.41 -1.06 0.40 0.00 -0.92 0.00 0.00 175.35 174.18 2wgo s LYS 69 N -0.07 2.53 -0.20 0.00 2.20 -1.26 0.39 119.74 123.34 2wgo s LYS 69 Ca 0.23 -1.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.02 2wgo s LYS 69 Cb -0.15 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 2wgo s LYS 69 CO 0.10 -0.99 1.64 -0.06 -0.36 0.00 0.00 175.35 175.67 2wgo s PHE 70 N 1.39 2.06 -0.64 4.03 0.08 0.13 -3.62 117.98 121.41 2wgo s PHE 70 Ca 0.04 0.50 -0.19 0.00 0.12 0.00 0.00 56.93 57.39 2wgo s PHE 70 Cb -0.23 -3.97 0.11 0.00 -0.57 0.00 0.00 43.02 38.36 2wgo s PHE 70 CO 0.01 -3.10 0.77 0.21 -0.10 0.00 0.00 175.22 173.01 2wgo s LYS 71 N 4.63 3.14 -0.39 0.44 2.20 -0.06 -0.61 119.74 129.09 2wgo s LYS 71 Ca 0.72 -1.41 -0.14 0.00 -0.36 0.00 0.00 55.97 54.79 2wgo s LYS 71 Cb -0.26 -4.33 0.01 0.00 -1.51 0.00 0.00 37.83 31.73 2wgo s LYS 71 CO 0.29 -1.57 0.27 0.42 -0.36 0.00 0.00 175.35 174.41 2wgo s ILE 72 N 2.61 5.20 -0.51 5.43 1.01 -0.63 -1.48 121.20 132.84 2wgo s ILE 72 Ca 0.15 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 2wgo s ILE 72 Cb -0.21 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2wgo s ILE 72 CO 0.04 -0.21 1.79 -0.60 0.00 0.00 0.00 174.94 175.96 2wgo s ARG 73 N 1.68 2.95 -0.85 2.79 3.52 -1.26 0.26 118.95 128.04 2wgo s ARG 73 Ca 0.05 0.89 -0.23 0.00 -0.13 0.00 0.00 55.73 56.31 2wgo s ARG 73 Cb -0.19 -4.29 -0.21 0.00 -1.56 0.00 0.00 34.95 28.71 2wgo s ARG 73 CO 0.10 -2.34 2.44 1.63 -0.81 0.00 0.00 175.30 176.33 2wgo n LYS 74 N 8.84 0.32 -0.12 5.12 5.02 0.59 -3.94 118.16 133.98 2wgo n LYS 74 Ca 0.21 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 2wgo n LYS 74 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 2wgo n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wgo n ASP 75 N 11.75 0.00 0.03 4.39 2.03 -1.19 -4.31 116.55 129.24 2wgo n ASP 75 Ca 0.57 0.00 0.13 0.00 0.52 0.00 0.00 54.79 56.01 2wgo n ASP 75 Cb 0.24 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 41.04 2wgo n ASP 75 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2wgo n VAL 76 N -0.01 0.19 0.00 5.18 0.24 -1.25 -0.23 118.33 122.45 2wgo n VAL 76 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2wgo n VAL 76 Cb 0.00 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 2wgo n VAL 76 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2wgo n ASP 77 N -1.77 0.00 -4.86 -1.34 2.03 -1.26 -3.48 116.55 105.87 2wgo n ASP 77 Ca 0.06 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.04 2wgo n ASP 77 Cb 0.38 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.72 2wgo n ASP 77 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wgo s VAL 78 N 0.00 4.84 -0.57 5.18 -7.23 -1.26 -4.68 120.40 116.68 2wgo s VAL 78 Ca 0.00 0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 60.60 2wgo s VAL 78 Cb 0.00 -3.65 0.04 0.00 0.56 0.00 0.00 36.38 33.33 2wgo s VAL 78 CO 0.00 -0.03 1.07 -2.16 -0.31 0.00 0.00 175.10 173.67 2wgo s PRO 79 N -2.67 3.41 0.00 4.82 0.04 -1.26 -4.80 135.00 134.54 2wgo s PRO 79 Ca 0.47 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2wgo s PRO 79 Cb -0.12 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2wgo s PRO 79 CO 0.20 -1.60 0.00 1.63 0.04 0.00 0.00 177.00 177.27 2wgo n LYS 80 N 7.99 0.00 -3.17 4.56 5.02 -1.25 -4.32 118.16 126.99 2wgo n LYS 80 Ca 0.05 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 2wgo n LYS 80 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.44 2wgo n LYS 80 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2wgo s MET 81 N -2.00 4.33 0.21 1.97 -2.45 -1.26 -4.49 119.30 115.61 2wgo s MET 81 Ca 0.00 0.64 -0.07 0.00 -1.25 0.00 0.00 55.69 55.01 2wgo s MET 81 Cb 0.00 -3.48 0.15 0.00 1.25 0.00 0.00 34.83 32.75 2wgo s MET 81 CO 0.00 0.01 1.67 -0.24 1.05 0.00 0.00 175.02 177.51 2wgo h VAL 82 N 4.87 1.26 -0.50 10.11 3.04 -1.84 -3.47 116.25 129.72 2wgo h VAL 82 Ca -0.38 -1.15 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 2wgo h VAL 82 Cb 1.17 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2wgo h VAL 82 CO 0.76 0.41 0.00 0.61 -1.01 0.00 0.00 177.57 178.34 2wgo n GLY 83 N -0.45 0.77 2.74 3.17 0.00 -0.55 -4.91 105.19 105.97 2wgo n GLY 83 Ca 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.36 2wgo n GLY 83 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wgo s ARG 84 N -0.20 0.17 0.38 1.61 1.70 -1.26 -0.88 118.95 120.47 2wgo s ARG 84 Ca 0.00 -0.08 0.25 0.00 -0.47 0.00 0.00 55.73 55.43 2wgo s ARG 84 Cb 0.00 0.01 0.61 0.00 -0.57 0.00 0.00 34.95 35.00 2wgo s ARG 84 CO 0.00 -0.24 1.70 -0.22 -1.08 0.00 0.00 175.30 175.46 2wgo h LYS 85 N 5.17 0.00 -5.05 3.89 3.64 -1.81 -3.46 116.57 118.95 2wgo h LYS 85 Ca -0.03 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2wgo h LYS 85 Cb 1.22 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 2wgo h LYS 85 CO -0.08 0.00 -1.50 0.00 -2.27 0.00 0.00 179.45 175.59 2wgo n ARG 87 N 1.78 4.08 0.13 0.00 0.63 -0.37 -4.71 116.66 118.21 2wgo n ARG 87 Ca -0.39 -4.63 -0.23 0.00 -0.92 0.00 0.00 57.85 51.68 2wgo n ARG 87 Cb 0.60 -2.42 -0.16 0.00 0.45 0.00 0.00 32.46 30.93 2wgo n ARG 87 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wgo h LYS 88 N 4.71 0.48 0.00 -0.14 3.64 -1.88 -3.41 116.57 119.97 2wgo h LYS 88 Ca 0.25 -0.83 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2wgo h LYS 88 Cb 0.56 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2wgo h LYS 88 CO 1.15 1.39 0.00 -0.40 -2.27 0.00 0.00 179.45 179.32 2wgo n ASP 89 N -3.67 0.00 -4.72 4.20 5.75 -1.26 -4.93 116.55 111.92 2wgo n ASP 89 Ca -0.17 -1.00 -0.31 0.00 -0.01 0.00 0.00 54.79 53.31 2wgo n ASP 89 Cb 1.09 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 41.31 2wgo n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2wgo s ASP 90 N 0.00 3.70 0.00 -1.12 1.11 -1.26 -5.04 116.67 114.06 2wgo s ASP 90 Ca 0.00 1.84 0.00 0.00 0.18 0.00 0.00 52.55 54.57 2wgo s ASP 90 Cb 0.00 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.54 2wgo s ASP 90 CO 0.00 -2.55 0.00 -0.67 1.18 0.00 0.00 175.17 173.13 2wgo n ASP 91 N -3.85 0.00 -3.99 0.27 2.03 -1.26 -4.99 116.55 104.76 2wgo n ASP 91 Ca 0.09 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.10 2wgo n ASP 91 Cb 0.53 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.77 2wgo n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 92 N -1.00 3.29 -0.12 1.67 -1.08 -1.26 -5.11 116.67 113.06 2wgo s ASP 92 Ca 0.00 -0.83 -0.00 0.00 -0.52 0.00 0.00 52.55 51.20 2wgo s ASP 92 Cb 0.00 -1.20 0.02 0.00 -1.46 0.00 0.00 42.92 40.28 2wgo s ASP 92 CO 0.00 -0.14 -0.09 -1.81 0.52 0.00 0.00 175.17 173.65 2wgo s ASP 93 N 1.42 2.24 -0.11 -0.34 1.11 -1.26 -5.01 116.67 114.73 2wgo s ASP 93 Ca -0.01 -0.34 -0.07 0.00 0.18 0.00 0.00 52.55 52.31 2wgo s ASP 93 Cb -0.16 -0.91 -0.02 0.00 1.07 0.00 0.00 42.92 42.90 2wgo s ASP 93 CO -0.08 -0.09 -0.14 -0.67 1.18 0.00 0.00 175.17 175.36 2wgo n ASP 94 N 4.81 1.37 -4.71 0.27 -0.08 -1.26 -4.91 116.55 112.04 2wgo n ASP 94 Ca -0.14 0.53 -0.39 0.00 -1.51 0.00 0.00 54.79 53.27 2wgo n ASP 94 Cb 0.50 -0.78 -0.06 0.00 2.34 0.00 0.00 41.12 43.13 2wgo n ASP 94 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2wgo s GLY 95 N -3.85 2.40 0.00 0.27 0.00 -1.26 -5.14 107.32 99.73 2wgo s GLY 95 Ca -0.12 -0.10 0.22 0.00 0.00 0.00 0.00 44.72 44.72 2wgo s GLY 95 CO 0.17 1.02 1.18 -1.72 0.00 0.00 0.00 173.10 173.76