#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgo s SER 0 N 0.00 6.04 -0.20 1.61 0.15 0.14 -4.45 113.70 116.99 2wgo s SER 0 Ca 0.00 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.67 2wgo s SER 0 Cb 0.00 -1.43 0.23 0.00 -1.71 0.00 0.00 66.02 63.11 2wgo s SER 0 CO 0.00 -0.38 1.10 0.00 1.20 0.00 0.00 173.24 175.16 2wgo n LEU 1 N -1.64 -0.87 -4.36 3.45 -0.00 -1.26 -4.36 117.00 107.96 2wgo n LEU 1 Ca -0.02 -2.27 -0.41 0.00 -0.00 0.00 0.00 56.01 53.31 2wgo n LEU 1 Cb 0.58 0.49 -0.11 0.00 -0.00 0.00 0.00 43.42 44.38 2wgo n LEU 1 CO 0.43 1.41 -0.14 -0.51 -0.00 0.00 0.00 177.39 178.59 2wgo s ILE 2 N 0.08 4.55 -2.00 1.47 2.07 -1.26 -4.92 121.20 121.18 2wgo s ILE 2 Ca 0.06 -0.98 0.12 0.00 -1.41 0.00 0.00 60.65 58.43 2wgo s ILE 2 Cb 0.25 -3.60 0.34 0.00 0.13 0.00 0.00 42.46 39.58 2wgo s ILE 2 CO -0.07 -0.31 1.29 0.18 -1.91 0.00 0.00 174.94 174.12 2wgo n LEU 3 N 5.00 0.00 0.00 8.50 7.99 -1.26 -2.37 117.00 134.86 2wgo n LEU 3 Ca -0.11 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 55.97 2wgo n LEU 3 Cb 0.45 0.00 0.41 0.00 -0.11 0.00 0.00 43.42 44.17 2wgo n LEU 3 CO 0.38 0.00 0.73 -0.67 -1.51 0.00 0.00 177.39 176.32 2wgo n ASP 4 N -0.74 0.00 0.00 -1.43 -0.08 -1.26 -2.78 116.55 110.26 2wgo n ASP 4 Ca 0.09 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 2wgo n ASP 4 Cb 0.04 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.23 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wgo n GLY 5 N 0.09 1.10 0.37 0.27 0.00 -1.00 -3.99 105.19 102.02 2wgo n GLY 5 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.29 2wgo n GLY 5 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wgo h ASP 6 N 0.00 0.60 -0.51 1.61 1.82 -0.77 -0.87 116.42 118.29 2wgo h ASP 6 Ca 0.00 0.12 -0.20 0.00 -0.39 0.00 0.00 57.03 56.56 2wgo h ASP 6 Cb 0.00 0.03 -0.12 0.00 0.68 0.00 0.00 39.33 39.92 2wgo h ASP 6 CO 0.00 0.10 0.25 0.18 -1.61 0.00 0.00 179.24 178.16 2wgo n LEU 7 N -4.80 4.77 -4.75 2.28 4.77 -1.12 -4.89 117.00 113.26 2wgo n LEU 7 Ca 0.27 -2.48 -0.39 0.00 -0.03 0.00 0.00 56.01 53.38 2wgo n LEU 7 Cb 0.80 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2wgo n LEU 7 CO 0.19 0.70 0.25 -0.22 -1.33 0.00 0.00 177.39 176.99 2wgo s LEU 8 N -1.88 4.36 0.08 2.23 0.20 -0.33 -4.90 118.68 118.44 2wgo s LEU 8 Ca 0.34 1.04 0.00 0.00 0.69 0.00 0.00 54.13 56.20 2wgo s LEU 8 Cb 0.28 -2.84 0.00 0.00 -0.43 0.00 0.00 46.19 43.19 2wgo s LEU 8 CO 0.08 0.06 0.00 0.29 -0.29 0.00 0.00 176.35 176.49 2wgo n LYS 9 N 3.09 0.00 -3.50 1.98 4.01 -1.26 -5.06 118.16 117.41 2wgo n LYS 9 Ca -0.07 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.68 2wgo n LYS 9 Cb 0.51 -0.37 -0.07 0.00 -0.51 0.00 0.00 35.03 34.60 2wgo n LYS 9 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2wgo s ASP 10 N -5.74 -0.53 0.03 4.39 2.15 -1.26 -5.05 116.67 110.67 2wgo s ASP 10 Ca 0.00 0.92 0.00 0.00 0.43 0.00 0.00 52.55 53.90 2wgo s ASP 10 Cb 0.00 1.64 0.00 0.00 -0.30 0.00 0.00 42.92 44.26 2wgo s ASP 10 CO 0.00 -0.25 0.00 2.29 -0.17 0.00 0.00 175.17 177.04 2wgo n LYS 11 N 5.40 0.00 -3.66 4.34 2.85 -1.26 -5.14 118.16 120.69 2wgo n LYS 11 Ca -0.07 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.07 2wgo n LYS 11 Cb 0.50 -0.27 -0.06 0.00 -0.65 0.00 0.00 35.03 34.55 2wgo n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wgo s LEU 12 N -5.78 0.40 -0.25 -5.58 1.43 -1.26 -5.05 118.68 102.58 2wgo s LEU 12 Ca 0.00 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2wgo s LEU 12 Cb 0.00 1.75 0.23 0.00 0.03 0.00 0.00 46.19 48.20 2wgo s LEU 12 CO 0.00 -0.69 1.13 2.29 0.23 0.00 0.00 176.35 179.31 2wgo n LYS 13 N 0.42 0.73 -3.66 1.70 0.00 -1.26 -4.85 118.16 111.24 2wgo n LYS 13 Ca -0.18 -0.89 -0.22 0.00 -0.00 0.00 0.00 58.31 57.02 2wgo n LYS 13 Cb 0.60 0.14 -0.04 0.00 -0.00 0.00 0.00 35.03 35.73 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2wgo s LEU 14 N -2.45 3.33 0.00 -5.58 1.43 -1.26 -5.14 118.68 109.01 2wgo s LEU 14 Ca 0.08 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2wgo s LEU 14 Cb 0.24 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2wgo s LEU 14 CO -0.06 -0.65 0.00 -2.65 0.23 0.00 0.00 176.35 173.22 2wgo n PRO 15 N -1.51 2.07 -1.67 1.29 -0.02 -1.26 -4.78 135.00 129.13 2wgo n PRO 15 Ca 0.03 0.00 -0.49 0.00 -2.02 0.00 0.00 63.50 61.01 2wgo n PRO 15 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.05 2wgo n PRO 15 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wgo n VAL 16 N -0.04 0.25 -2.84 -1.45 3.14 -1.26 -4.79 118.33 111.34 2wgo n VAL 16 Ca 0.00 -0.04 -0.20 0.00 -2.96 0.00 0.00 64.34 61.14 2wgo n VAL 16 Cb 0.00 -1.49 0.04 0.00 -1.06 0.00 0.00 33.84 31.33 2wgo n VAL 16 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2wgo s ILE 17 N 2.32 2.58 -0.15 1.55 1.01 0.29 -4.96 121.20 123.84 2wgo s ILE 17 Ca 0.87 -0.84 -0.38 0.00 0.00 0.00 0.00 60.65 60.31 2wgo s ILE 17 Cb -0.78 -2.75 -0.15 0.00 0.01 0.00 0.00 42.46 38.79 2wgo s ILE 17 CO 0.48 0.00 1.72 0.47 0.00 0.00 0.00 174.94 177.61 2wgo n ASP 18 N -2.24 2.63 0.19 3.58 8.00 -1.26 -4.10 116.55 123.36 2wgo n ASP 18 Ca 0.11 1.05 0.14 0.00 0.71 0.00 0.00 54.79 56.80 2wgo n ASP 18 Cb 0.60 -1.23 0.52 0.00 -0.02 0.00 0.00 41.12 40.99 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wgo h ASN 19 N 7.34 0.00 -0.18 -2.24 7.08 -1.93 -0.97 115.58 124.68 2wgo h ASN 19 Ca -0.47 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 52.55 2wgo h ASN 19 Cb 1.30 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.55 2wgo h ASN 19 CO 0.93 0.00 -0.65 0.25 -2.08 0.00 0.00 177.43 175.88 2wgo h LEU 20 N 0.00 0.92 -0.87 6.14 5.85 -1.98 0.24 115.31 125.61 2wgo h LEU 20 Ca 0.00 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 2wgo h LEU 20 Cb 0.54 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2wgo h LEU 20 CO 0.00 1.33 0.48 0.15 -0.34 0.00 0.00 178.44 180.06 2wgo h PHE 21 N 0.59 1.20 -0.33 1.25 3.04 -1.59 0.22 116.94 121.32 2wgo h PHE 21 Ca -0.01 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.84 2wgo h PHE 21 Cb 1.26 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 2wgo h PHE 21 CO 0.07 0.83 -0.04 0.78 -2.02 0.00 0.00 178.31 177.93 2wgo h GLY 22 N 1.22 0.66 0.57 2.40 0.00 -1.16 -2.13 103.07 104.64 2wgo h GLY 22 Ca 0.31 -0.52 0.08 0.00 0.00 0.00 0.00 47.33 47.20 2wgo h GLY 22 CO -0.05 0.47 0.42 1.70 0.00 0.00 0.00 176.54 179.08 2wgo h LYS 23 N 0.40 0.70 -0.21 4.80 1.63 0.12 -1.16 116.57 122.84 2wgo h LYS 23 Ca 0.09 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2wgo h LYS 23 Cb 0.52 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 2wgo h LYS 23 CO 0.03 0.47 0.02 0.93 -3.45 0.00 0.00 179.45 177.44 2wgo h GLU 24 N 0.72 0.10 0.13 1.90 4.39 -0.47 0.22 114.58 121.58 2wgo h GLU 24 Ca 0.35 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.06 2wgo h GLU 24 Cb 0.29 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 2wgo h GLU 24 CO -0.23 0.06 -0.51 -0.07 -1.16 0.00 0.00 179.01 177.10 2wgo h LEU 25 N 0.10 -1.53 -1.07 1.33 3.38 -0.56 -0.71 115.31 116.24 2wgo h LEU 25 Ca 0.10 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2wgo h LEU 25 Cb 0.11 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2wgo h LEU 25 CO -0.15 -0.55 0.51 -0.07 0.09 0.00 0.00 178.44 178.26 2wgo h LEU 26 N -0.75 1.01 -1.33 1.67 4.07 -1.10 -1.43 115.31 117.44 2wgo h LEU 26 Ca -0.00 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 2wgo h LEU 26 Cb 0.76 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2wgo h LEU 26 CO -0.28 0.78 -0.19 -0.78 -1.08 0.00 0.00 178.44 176.89 2wgo h ASP 27 N 1.16 0.20 0.00 -0.43 3.58 -0.18 0.15 116.42 120.91 2wgo h ASP 27 Ca 0.30 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 2wgo h ASP 27 Cb -0.05 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2wgo h ASP 27 CO -0.06 0.41 -0.00 0.11 -2.88 0.00 0.00 179.24 176.82 2wgo h LYS 28 N 0.20 -0.00 -0.52 0.28 1.57 -0.13 -3.31 116.57 114.66 2wgo h LYS 28 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2wgo h LYS 28 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2wgo h LYS 28 CO 0.03 0.75 0.00 1.19 -0.57 0.00 0.00 179.45 180.85 2wgo n PHE 29 N -4.73 0.75 0.25 -1.35 0.99 -0.69 -4.22 117.46 108.46 2wgo n PHE 29 Ca -0.09 -0.33 0.15 0.00 -0.00 0.00 0.00 57.45 57.18 2wgo n PHE 29 Cb 0.37 -0.08 0.85 0.00 -1.00 0.00 0.00 39.48 39.63 2wgo n PHE 29 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 2wgo h GLN 30 N 2.62 0.00 -0.62 -1.08 3.07 -0.79 -1.43 115.11 116.87 2wgo h GLN 30 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 2wgo h GLN 30 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.32 2wgo h GLN 30 CO 0.07 0.00 0.01 0.38 0.09 0.00 0.00 178.83 179.38 2wgo h ASP 31 N 0.00 1.07 0.18 0.06 3.04 -1.85 0.39 116.42 119.30 2wgo h ASP 31 Ca 0.04 -0.30 -0.22 0.00 -3.24 0.00 0.00 57.03 53.31 2wgo h ASP 31 Cb 0.22 -0.29 0.00 0.00 -1.04 0.00 0.00 39.33 38.23 2wgo h ASP 31 CO -0.00 1.10 -0.87 -0.78 -2.04 0.00 0.00 179.24 176.65 2wgo h ASP 32 N 1.00 0.65 -0.75 4.15 1.82 -1.62 0.19 116.42 121.86 2wgo h ASP 32 Ca 0.18 -0.48 -0.03 0.00 -0.39 0.00 0.00 57.03 56.31 2wgo h ASP 32 Cb 0.55 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.33 2wgo h ASP 32 CO 0.03 1.26 0.37 0.40 -1.61 0.00 0.00 179.24 179.69 2wgo h ILE 33 N 0.32 1.24 0.04 2.25 2.04 -1.12 0.71 117.51 122.99 2wgo h ILE 33 Ca -0.07 -0.68 -0.26 0.00 1.00 0.00 0.00 64.86 64.85 2wgo h ILE 33 Cb 1.50 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2wgo h ILE 33 CO 0.16 0.29 -1.30 0.50 0.00 0.00 0.00 178.15 177.80 2wgo h LYS 34 N 1.09 0.08 -0.17 2.37 3.64 -0.14 0.13 116.57 123.57 2wgo h LYS 34 Ca 0.26 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2wgo h LYS 34 Cb 0.11 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2wgo h LYS 34 CO -0.03 0.93 0.06 0.22 -2.27 0.00 0.00 179.45 178.35 2wgo h ASP 35 N 0.02 0.24 0.01 4.20 1.82 -0.40 -1.08 116.42 121.23 2wgo h ASP 35 Ca -0.14 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.31 2wgo h ASP 35 Cb 1.90 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.84 2wgo h ASP 35 CO 0.13 0.37 -0.00 0.11 -1.61 0.00 0.00 179.24 178.24 2wgo h LYS 36 N 0.10 -0.01 0.00 0.28 1.57 -0.91 -3.41 116.57 114.19 2wgo h LYS 36 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 2wgo h LYS 36 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2wgo h LYS 36 CO -0.00 0.71 -1.69 0.66 -0.57 0.00 0.00 179.45 178.56 2wgo n TYR 37 N -4.67 0.00 -1.75 -1.35 4.01 0.37 -5.04 117.16 108.73 2wgo n TYR 37 Ca -0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.65 2wgo n TYR 37 Cb 0.35 -0.42 0.01 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.96 0.67 3.43 2.72 0.00 -0.41 -4.95 105.19 108.61 2wgo n GLY 38 Ca -0.09 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.03 2.65 -0.92 1.61 1.01 -1.24 -4.92 120.40 115.55 2wgo s VAL 39 Ca 0.03 -1.24 0.28 0.00 0.00 0.00 0.00 61.98 61.04 2wgo s VAL 39 Cb -0.00 -2.10 0.24 0.00 0.00 0.00 0.00 36.38 34.51 2wgo s VAL 39 CO 0.06 0.34 1.85 -0.67 0.00 0.00 0.00 175.10 176.67 2wgo n ASP 40 N 1.57 0.25 0.00 3.32 2.03 -1.26 -4.21 116.55 118.25 2wgo n ASP 40 Ca -0.16 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2wgo n ASP 40 Cb 0.52 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2wgo n ASP 40 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2wgo n THR 41 N -1.71 0.00 0.32 5.18 -2.24 -1.26 -4.29 114.28 110.29 2wgo n THR 41 Ca 0.06 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.00 2wgo n THR 41 Cb 0.37 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.18 2wgo n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wgo h LYS 42 N 0.00 0.00 -0.07 -0.78 1.57 -1.94 -2.41 116.57 112.93 2wgo h LYS 42 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2wgo h LYS 42 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wgo h LYS 42 CO 0.00 0.00 -0.84 0.22 -0.57 0.00 0.00 179.45 178.26 2wgo h ASP 43 N 0.00 0.68 -1.78 0.86 1.82 -1.98 -3.43 116.42 112.59 2wgo h ASP 43 Ca 0.00 -0.49 -0.54 0.00 -0.39 0.00 0.00 57.03 55.61 2wgo h ASP 43 Cb 0.51 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2wgo h ASP 43 CO 0.00 1.27 1.55 0.18 -1.61 0.00 0.00 179.24 180.63 2wgo n LEU 44 N -3.85 2.83 -4.56 2.28 4.77 -0.91 -4.88 117.00 112.69 2wgo n LEU 44 Ca -0.07 -0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.46 2wgo n LEU 44 Cb 0.77 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 2wgo n LEU 44 CO 0.51 -1.03 1.57 -0.75 -1.33 0.00 0.00 177.39 176.36 2wgo s LYS 45 N 7.11 2.81 -0.36 3.23 2.20 -1.11 -4.83 119.74 128.79 2wgo s LYS 45 Ca 1.01 0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 57.08 2wgo s LYS 45 Cb -0.31 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.69 2wgo s LYS 45 CO 0.32 -2.51 1.42 0.42 -0.36 0.00 0.00 175.35 174.65 2wgo s ILE 46 N 8.44 3.93 -0.08 5.43 1.01 -1.26 -0.21 121.20 138.45 2wgo s ILE 46 Ca 0.68 0.99 -0.24 0.00 0.00 0.00 0.00 60.65 62.08 2wgo s ILE 46 Cb -0.14 -4.11 -0.29 0.00 0.01 0.00 0.00 42.46 37.92 2wgo s ILE 46 CO 0.23 -0.61 0.83 -0.07 0.00 0.00 0.00 174.94 175.33 2wgo h LEU 47 N 11.84 0.30 -6.40 2.97 3.38 -0.06 -3.46 115.31 123.89 2wgo h LEU 47 Ca -0.28 -0.96 -0.17 0.00 0.09 0.00 0.00 57.88 56.55 2wgo h LEU 47 Cb 1.11 -0.10 -0.29 0.00 0.09 0.00 0.00 40.66 41.47 2wgo h LEU 47 CO 1.06 1.27 -0.51 -0.75 0.09 0.00 0.00 178.44 179.60 2wgo s LYS 48 N -2.36 0.38 -0.09 1.13 2.20 -1.07 -4.99 119.74 114.93 2wgo s LYS 48 Ca -0.16 0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 2wgo s LYS 48 Cb -0.00 -0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 35.89 2wgo s LYS 48 CO 0.78 -0.82 1.04 0.99 -0.36 0.00 0.00 175.35 176.98 2wgo s THR 49 N 2.54 4.70 0.23 3.43 2.01 -1.26 -0.59 115.64 126.70 2wgo s THR 49 Ca 0.11 1.97 -0.13 0.00 0.31 0.00 0.00 61.69 63.95 2wgo s THR 49 Cb -0.14 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.10 2wgo s THR 49 CO -0.23 0.01 0.46 -0.44 -0.69 0.00 0.00 174.62 173.74 2wgo s SER 50 N 1.15 -0.10 0.09 3.53 0.01 -0.50 0.11 113.70 117.99 2wgo s SER 50 Ca 0.50 -0.88 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 2wgo s SER 50 Cb -0.19 0.57 0.05 0.00 0.21 0.00 0.00 66.02 66.66 2wgo s SER 50 CO 0.19 -1.11 0.50 -1.83 0.41 0.00 0.00 173.24 171.40 2wgo s GLU 51 N -4.00 1.08 0.00 12.44 -1.05 -1.26 0.15 118.70 126.06 2wgo s GLU 51 Ca 0.21 -0.40 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 2wgo s GLU 51 Cb -0.00 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2wgo s GLU 51 CO 0.07 -0.42 0.00 -3.47 0.95 0.00 0.00 175.26 172.39 2wgo n ASP 52 N 0.11 0.00 0.00 0.83 -0.08 -0.85 -4.76 116.55 111.80 2wgo n ASP 52 Ca -0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.11 2wgo n ASP 52 Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 2wgo n ASP 52 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2wgo n LYS 53 N -0.94 0.00 -0.26 -0.67 4.76 -1.26 -4.71 118.16 115.08 2wgo n LYS 53 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 2wgo n LYS 53 Cb 0.00 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.34 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wgo n ARG 54 N -1.77 2.14 -3.77 1.97 1.74 -1.26 -4.80 116.66 110.92 2wgo n ARG 54 Ca 0.00 -1.17 -0.13 0.00 -0.77 0.00 0.00 57.85 55.79 2wgo n ARG 54 Cb 0.00 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.66 -0.31 -0.03 -1.55 0.40 -1.26 -3.12 117.98 110.45 2wgo s PHE 55 Ca 0.21 0.75 -0.06 0.00 -0.60 0.00 0.00 56.93 57.23 2wgo s PHE 55 Cb 0.14 0.09 -0.04 0.00 0.51 0.00 0.00 43.02 43.72 2wgo s PHE 55 CO 0.10 -0.17 0.21 0.71 0.70 0.00 0.00 175.22 176.77 2wgo s TYR 56 N 0.44 3.58 -0.30 0.36 2.02 0.26 -2.00 117.35 121.71 2wgo s TYR 56 Ca -0.02 0.50 -0.01 0.00 -0.37 0.00 0.00 57.07 57.17 2wgo s TYR 56 Cb -0.04 -1.93 0.10 0.00 -0.40 0.00 0.00 41.96 39.68 2wgo s TYR 56 CO -0.02 0.66 0.09 0.71 -1.57 0.00 0.00 175.55 175.42 2wgo s TYR 57 N -1.23 1.63 -0.74 2.71 2.02 0.12 -0.88 117.35 120.98 2wgo s TYR 57 Ca 0.24 -1.66 -0.15 0.00 -0.37 0.00 0.00 57.07 55.13 2wgo s TYR 57 Cb -0.13 -1.64 0.18 0.00 -0.40 0.00 0.00 41.96 39.97 2wgo s TYR 57 CO 0.14 -0.86 0.71 0.08 -1.57 0.00 0.00 175.55 174.05 2wgo s VAL 58 N 1.64 5.40 0.12 0.71 1.01 -0.55 -1.41 120.40 127.33 2wgo s VAL 58 Ca 0.09 -2.05 -0.32 0.00 0.00 0.00 0.00 61.98 59.69 2wgo s VAL 58 Cb -0.17 -4.45 -0.12 0.00 0.00 0.00 0.00 36.38 31.64 2wgo s VAL 58 CO -0.24 -1.02 1.78 -1.20 0.00 0.00 0.00 175.10 174.42 2wgo n SER 59 N 4.63 3.82 -3.83 3.32 7.64 0.24 -0.30 113.62 129.14 2wgo n SER 59 Ca 0.05 1.01 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 2wgo n SER 59 Cb 0.45 -1.51 -0.09 0.00 -1.01 0.00 0.00 64.21 62.04 2wgo n SER 59 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2wgo s VAL 60 N 2.29 0.07 -0.21 0.44 -7.23 0.89 0.70 120.40 117.35 2wgo s VAL 60 Ca 0.81 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 60.19 2wgo s VAL 60 Cb -0.54 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 2wgo s VAL 60 CO 0.38 -0.33 0.55 -0.62 -0.31 0.00 0.00 175.10 174.76 2wgo s ASP 61 N -1.36 6.56 0.00 4.85 -1.08 0.70 -0.28 116.67 126.06 2wgo s ASP 61 Ca -0.14 0.68 0.28 0.00 -0.52 0.00 0.00 52.55 52.85 2wgo s ASP 61 Cb -0.07 -2.30 1.70 0.00 -1.46 0.00 0.00 42.92 40.79 2wgo s ASP 61 CO 0.03 -0.23 2.09 0.00 0.52 0.00 0.00 175.17 177.58 2wgo n ALA 62 N 5.04 2.67 0.00 3.66 0.00 0.88 -2.77 120.51 129.99 2wgo n ALA 62 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2wgo n ALA 62 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.94 1.57 2.52 0.00 0.00 -1.26 -4.86 105.19 104.10 2wgo n GLY 63 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2wgo n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgo n ASP 64 N 0.00 2.91 0.00 1.61 9.92 -1.26 -4.96 116.55 124.77 2wgo n ASP 64 Ca 0.00 -2.76 0.00 0.00 -0.53 0.00 0.00 54.79 51.50 2wgo n ASP 64 Cb 0.00 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wgo n GLY 65 N -0.60 2.77 3.71 0.44 0.00 -1.26 -4.98 105.19 105.27 2wgo n GLY 65 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2wgo n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wgo s GLU 66 N -0.07 4.23 -0.27 1.61 2.02 -1.26 -4.87 118.70 120.08 2wgo s GLU 66 Ca 0.00 2.31 -0.04 0.00 0.02 0.00 0.00 54.97 57.25 2wgo s GLU 66 Cb 0.00 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.98 2wgo s GLU 66 CO 0.00 -0.61 0.02 0.15 0.02 0.00 0.00 175.26 174.84 2wgo s LYS 67 N 1.47 2.95 0.53 1.61 1.02 -1.26 -0.08 119.74 125.98 2wgo s LYS 67 Ca 0.70 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.80 2wgo s LYS 67 Cb -0.42 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 2wgo s LYS 67 CO 0.31 -0.43 0.24 0.00 -0.92 0.00 0.00 175.35 174.55 2wgo s LYS 69 N -4.12 0.98 -0.33 0.00 2.20 -0.97 -0.08 119.74 117.43 2wgo s LYS 69 Ca 0.23 -1.14 -0.36 0.00 -0.36 0.00 0.00 55.97 54.34 2wgo s LYS 69 Cb -0.01 -0.32 -0.12 0.00 -1.51 0.00 0.00 37.83 35.87 2wgo s LYS 69 CO 0.14 -1.31 2.12 1.19 -0.36 0.00 0.00 175.35 177.12 2wgo n PHE 70 N 3.21 1.67 -2.02 4.03 3.72 0.59 0.19 117.46 128.85 2wgo n PHE 70 Ca 0.19 0.31 -0.42 0.00 -0.05 0.00 0.00 57.45 57.48 2wgo n PHE 70 Cb 0.54 -2.52 0.00 0.00 -0.94 0.00 0.00 39.48 36.56 2wgo n PHE 70 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2wgo n LYS 71 N 7.76 3.00 -2.36 -1.08 4.81 0.44 -1.48 118.16 129.25 2wgo n LYS 71 Ca 0.39 -2.86 -0.36 0.00 -0.87 0.00 0.00 58.31 54.61 2wgo n LYS 71 Cb 0.21 -3.32 -0.03 0.00 0.02 0.00 0.00 35.03 31.90 2wgo n LYS 71 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wgo s ILE 72 N 3.28 3.78 -0.16 3.15 1.01 -0.06 -2.47 121.20 129.73 2wgo s ILE 72 Ca 0.48 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 2wgo s ILE 72 Cb 0.11 -4.74 -0.06 0.00 0.01 0.00 0.00 42.46 37.78 2wgo s ILE 72 CO -0.04 -1.56 2.04 -0.60 0.00 0.00 0.00 174.94 174.78 2wgo s ARG 73 N 5.57 3.51 1.30 2.79 3.52 -1.26 -0.58 118.95 133.80 2wgo s ARG 73 Ca 0.57 2.10 -0.18 0.00 -0.13 0.00 0.00 55.73 58.09 2wgo s ARG 73 Cb -0.01 -4.26 0.33 0.00 -1.56 0.00 0.00 34.95 29.45 2wgo s ARG 73 CO -0.01 -1.67 0.98 0.15 -0.81 0.00 0.00 175.30 173.94 2wgo s LYS 74 N 5.57 -1.96 -0.91 5.12 1.02 -1.18 -4.17 119.74 123.23 2wgo s LYS 74 Ca 0.92 0.48 -0.13 0.00 0.02 0.00 0.00 55.97 57.26 2wgo s LYS 74 Cb -0.34 -1.46 -0.09 0.00 -0.52 0.00 0.00 37.83 35.42 2wgo s LYS 74 CO 0.36 -4.32 2.06 -0.25 -0.92 0.00 0.00 175.35 172.28 2wgo n ASP 75 N -5.29 3.99 -0.66 2.83 10.43 -1.02 -4.19 116.55 122.63 2wgo n ASP 75 Ca 0.07 -2.50 0.12 0.00 2.57 0.00 0.00 54.79 55.05 2wgo n ASP 75 Cb 0.57 -1.15 0.20 0.00 1.84 0.00 0.00 41.12 42.58 2wgo n ASP 75 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2wgo n VAL 76 N 4.97 0.00 0.02 2.53 0.24 -1.26 -0.23 118.33 124.60 2wgo n VAL 76 Ca 0.48 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 2wgo n VAL 76 Cb 0.26 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 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 0.53 -0.38 -4.41 -1.34 -0.08 -1.26 -4.61 116.55 105.01 2wgo n ASP 77 Ca 0.14 0.31 -0.31 0.00 -1.51 0.00 0.00 54.79 53.42 2wgo n ASP 77 Cb 0.49 0.62 -0.14 0.00 2.34 0.00 0.00 41.12 44.43 2wgo n ASP 77 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2wgo s VAL 78 N -2.00 2.52 -0.54 5.18 0.11 -1.26 -5.03 120.40 119.38 2wgo s VAL 78 Ca 0.00 -1.27 -0.07 0.00 -2.93 0.00 0.00 61.98 57.72 2wgo s VAL 78 Cb 0.00 -2.03 -0.15 0.00 -1.53 0.00 0.00 36.38 32.68 2wgo s VAL 78 CO 0.00 0.35 3.25 -0.81 -3.33 0.00 0.00 175.10 174.57 2wgo n PRO 79 N 1.66 2.64 -3.69 1.54 -0.04 -1.26 -3.85 135.00 132.00 2wgo n PRO 79 Ca -0.16 -1.67 -0.11 0.00 -0.04 0.00 0.00 63.50 61.51 2wgo n PRO 79 Cb 0.52 -2.25 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 2wgo n PRO 79 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2wgo s LYS 80 N 0.67 0.54 -0.44 0.54 2.20 -1.26 0.28 119.74 122.27 2wgo s LYS 80 Ca 0.65 0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 56.80 2wgo s LYS 80 Cb 0.29 0.16 -0.08 0.00 -1.51 0.00 0.00 37.83 36.69 2wgo s LYS 80 CO -0.06 -0.11 2.36 -0.12 -0.36 0.00 0.00 175.35 177.06 2wgo n MET 81 N 3.54 1.22 -0.23 4.03 0.00 -1.26 -4.29 117.12 120.14 2wgo n MET 81 Ca -0.18 0.17 -0.01 0.00 -0.00 0.00 0.00 57.70 57.69 2wgo n MET 81 Cb 0.56 -3.15 0.21 0.00 0.00 0.00 0.00 33.22 30.84 2wgo n MET 81 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2wgo h VAL 82 N 7.52 1.21 -0.17 1.12 3.04 -1.75 -3.45 116.25 123.77 2wgo h VAL 82 Ca -0.28 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2wgo h VAL 82 Cb 1.27 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2wgo h VAL 82 CO 1.11 0.22 0.00 0.61 -1.01 0.00 0.00 177.57 178.50 2wgo n GLY 83 N -1.30 1.37 3.22 3.17 0.00 -1.03 -5.02 105.19 105.59 2wgo n GLY 83 Ca 0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 1.32 0.30 -1.07 1.61 3.03 -1.26 -0.42 118.95 122.45 2wgo s ARG 84 Ca 0.00 0.98 -0.06 0.00 2.03 0.00 0.00 55.73 58.68 2wgo s ARG 84 Cb 0.00 0.26 0.02 0.00 -1.03 0.00 0.00 34.95 34.19 2wgo s ARG 84 CO 0.00 -0.27 2.73 1.17 -1.13 0.00 0.00 175.30 177.80 2wgo n LYS 85 N 5.38 3.68 -3.07 3.89 4.81 0.13 -4.77 118.16 128.21 2wgo n LYS 85 Ca -0.08 -2.69 -0.40 0.00 -0.87 0.00 0.00 58.31 54.27 2wgo n LYS 85 Cb 0.49 -2.50 -0.05 0.00 0.02 0.00 0.00 35.03 32.99 2wgo n LYS 85 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wgo n ARG 87 N 4.52 2.29 -1.16 0.00 1.74 -1.11 -4.96 116.66 117.99 2wgo n ARG 87 Ca -0.01 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.02 2wgo n ARG 87 Cb 0.50 -0.31 -0.02 0.00 -1.02 0.00 0.00 32.46 31.61 2wgo n ARG 87 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2wgo n LYS 88 N -0.19 -1.24 0.01 5.56 4.81 -0.94 -4.45 118.16 121.71 2wgo n LYS 88 Ca 0.00 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2wgo n LYS 88 Cb 0.00 -4.66 0.00 0.00 0.02 0.00 0.00 35.03 30.39 2wgo n LYS 88 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2wgo n ASP 89 N -0.56 -0.11 -3.77 3.14 2.03 -1.26 -4.84 116.55 111.19 2wgo n ASP 89 Ca -0.05 0.03 -0.13 0.00 0.52 0.00 0.00 54.79 55.16 2wgo n ASP 89 Cb 0.39 0.37 -0.14 0.00 -0.72 0.00 0.00 41.12 41.03 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 90 N -2.36 -0.14 -0.41 1.67 -1.08 -1.26 -5.10 116.67 107.99 2wgo s ASP 90 Ca 0.00 0.33 0.04 0.00 -0.52 0.00 0.00 52.55 52.39 2wgo s ASP 90 Cb 0.00 0.25 0.17 0.00 -1.46 0.00 0.00 42.92 41.88 2wgo s ASP 90 CO 0.00 -0.12 0.34 1.51 0.52 0.00 0.00 175.17 177.42 2wgo s ASP 91 N 0.81 1.46 -0.00 -0.34 -4.77 -1.26 -4.86 116.67 107.70 2wgo s ASP 91 Ca -0.06 -2.97 0.20 0.00 -3.30 0.00 0.00 52.55 46.42 2wgo s ASP 91 Cb -0.08 -0.38 -0.21 0.00 -1.09 0.00 0.00 42.92 41.16 2wgo s ASP 91 CO -0.04 -0.18 0.58 -0.67 0.70 0.00 0.00 175.17 175.56 2wgo n ASP 92 N 2.94 0.36 -4.55 2.11 2.03 -1.26 -4.80 116.55 113.38 2wgo n ASP 92 Ca 0.28 0.15 -0.33 0.00 0.52 0.00 0.00 54.79 55.41 2wgo n ASP 92 Cb 0.47 1.08 -0.04 0.00 -0.72 0.00 0.00 41.12 41.92 2wgo n ASP 92 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2wgo s ASP 93 N -5.17 4.70 0.02 1.67 1.01 -1.26 -4.81 116.67 112.83 2wgo s ASP 93 Ca -0.06 0.52 -0.22 0.00 0.71 0.00 0.00 52.55 53.50 2wgo s ASP 93 Cb 0.10 -2.52 -0.16 0.00 1.01 0.00 0.00 42.92 41.35 2wgo s ASP 93 CO 0.85 -2.84 1.35 -0.78 0.21 0.00 0.00 175.17 173.96 2wgo h ASP 94 N 16.36 0.23 -1.85 0.27 3.58 -2.04 -3.40 116.42 129.57 2wgo h ASP 94 Ca -0.18 -0.44 -0.52 0.00 0.42 0.00 0.00 57.03 56.31 2wgo h ASP 94 Cb 1.17 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2wgo h ASP 94 CO 1.16 0.62 1.54 -0.83 -2.88 0.00 0.00 179.24 178.85 2wgo s GLY 95 N -3.24 0.02 0.00 -0.78 0.00 -1.26 -5.12 107.32 96.93 2wgo s GLY 95 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2wgo s GLY 95 CO 0.72 3.91 0.34 2.98 0.00 0.00 0.00 173.10 181.05