#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 0.84 -4.72 1.61 3.41 -1.23 -4.61 113.62 108.91 2wgo n SER 0 Ca 0.00 -2.00 -0.42 0.00 -0.26 0.00 0.00 58.87 56.19 2wgo n SER 0 Cb 0.00 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 2wgo n SER 0 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2wgo s LEU 1 N 0.00 4.38 0.00 1.04 -0.00 -1.26 -1.81 118.68 121.02 2wgo s LEU 1 Ca 0.30 2.42 0.00 0.00 -0.00 0.00 0.00 54.13 56.85 2wgo s LEU 1 Cb 0.34 -3.59 0.00 0.00 -0.00 0.00 0.00 46.19 42.94 2wgo s LEU 1 CO -0.15 -0.67 0.45 0.00 -0.00 0.00 0.00 176.35 175.98 2wgo n ILE 2 N 3.63 0.00 -3.78 1.48 0.13 -1.26 -4.88 119.36 114.68 2wgo n ILE 2 Ca 0.11 0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.66 2wgo n ILE 2 Cb 0.41 0.28 -0.07 0.00 -0.84 0.00 0.00 39.64 39.43 2wgo n ILE 2 CO 0.00 0.00 0.00 -1.48 2.80 0.00 0.00 176.55 177.87 2wgo s LEU 3 N 0.00 1.05 0.25 9.51 0.05 -1.26 -4.68 118.68 123.59 2wgo s LEU 3 Ca 0.00 -0.41 0.11 0.00 0.05 0.00 0.00 54.13 53.87 2wgo s LEU 3 Cb 0.00 1.29 0.24 0.00 -2.05 0.00 0.00 46.19 45.66 2wgo s LEU 3 CO 0.00 -0.70 1.54 0.44 -0.55 0.00 0.00 176.35 177.07 2wgo h ASP 4 N 2.89 0.00 0.00 1.48 5.19 -1.95 -3.43 116.42 120.59 2wgo h ASP 4 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2wgo h ASP 4 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2wgo h ASP 4 CO 0.50 0.68 0.00 0.61 -3.12 0.00 0.00 179.24 177.91 2wgo n GLY 5 N 0.57 0.00 0.00 2.75 0.00 -1.26 -5.08 105.19 102.17 2wgo n GLY 5 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wgo n GLY 5 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wgo n ASP 6 N 0.00 0.00 0.00 1.61 3.85 -1.26 -4.70 116.55 116.05 2wgo n ASP 6 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 2wgo n ASP 6 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2wgo n LEU 7 N -0.97 0.00 -4.75 -2.12 4.77 -1.26 -4.67 117.00 107.99 2wgo n LEU 7 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2wgo n LEU 7 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2wgo n LEU 7 CO 0.00 0.00 -0.18 -0.76 -1.33 0.00 0.00 177.39 175.12 2wgo s LEU 8 N 0.00 4.23 -0.18 2.23 1.43 -1.26 -4.76 118.68 120.38 2wgo s LEU 8 Ca 0.00 0.27 0.17 0.00 -1.03 0.00 0.00 54.13 53.53 2wgo s LEU 8 Cb 0.00 -2.09 -0.25 0.00 0.03 0.00 0.00 46.19 43.89 2wgo s LEU 8 CO 0.00 0.22 0.16 0.29 0.23 0.00 0.00 176.35 177.24 2wgo n LYS 9 N 3.27 0.68 0.13 1.70 4.76 -1.26 -4.19 118.16 123.25 2wgo n LYS 9 Ca -0.17 0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.10 2wgo n LYS 9 Cb 0.52 -1.56 -0.15 0.00 -1.84 0.00 0.00 35.03 32.00 2wgo n LYS 9 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2wgo h ASP 10 N 0.00 0.67 -2.72 4.39 2.03 -2.02 -3.35 116.42 115.43 2wgo h ASP 10 Ca -0.51 -0.74 -0.79 0.00 -0.73 0.00 0.00 57.03 54.26 2wgo h ASP 10 Cb 2.20 -0.22 -0.29 0.00 -0.83 0.00 0.00 39.33 40.19 2wgo h ASP 10 CO 0.03 1.58 0.71 0.29 -1.03 0.00 0.00 179.24 180.83 2wgo n LYS 11 N -3.64 4.52 0.11 4.15 5.02 -1.26 -4.69 118.16 122.37 2wgo n LYS 11 Ca -0.14 -4.60 -0.17 0.00 -2.02 0.00 0.00 58.31 51.38 2wgo n LYS 11 Cb 1.08 -2.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.48 2wgo n LYS 11 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 2wgo h LEU 12 N 5.05 0.54 -6.00 -0.35 -0.00 -1.73 -3.43 115.31 109.39 2wgo h LEU 12 Ca 0.26 -0.55 0.25 0.00 -0.00 0.00 0.00 57.88 57.84 2wgo h LEU 12 Cb 0.56 -0.17 -0.19 0.00 -0.00 0.00 0.00 40.66 40.85 2wgo h LEU 12 CO 1.26 1.41 0.07 -1.59 -0.00 0.00 0.00 178.44 179.59 2wgo s LYS 13 N -2.76 0.08 0.38 0.17 -2.85 -1.25 -3.11 119.74 110.40 2wgo s LYS 13 Ca -0.05 0.09 0.07 0.00 -1.00 0.00 0.00 55.97 55.08 2wgo s LYS 13 Cb 0.07 0.04 -0.00 0.00 -2.06 0.00 0.00 37.83 35.88 2wgo s LYS 13 CO 0.90 -0.14 0.50 -0.51 0.10 0.00 0.00 175.35 176.20 2wgo s LEU 14 N 2.98 3.80 0.00 2.77 1.43 -1.26 -4.97 118.68 123.43 2wgo s LEU 14 Ca 0.26 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2wgo s LEU 14 Cb -0.02 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.56 2wgo s LEU 14 CO -0.21 -0.58 0.06 -0.81 0.23 0.00 0.00 176.35 175.04 2wgo n PRO 15 N -1.72 -1.70 -1.75 1.29 -0.04 -1.26 -4.38 135.00 125.45 2wgo n PRO 15 Ca 0.04 -0.10 -0.40 0.00 -0.04 0.00 0.00 63.50 62.99 2wgo n PRO 15 Cb 0.59 -0.11 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.09 3.17 0.41 0.52 0.11 -1.25 -4.46 120.40 117.80 2wgo s VAL 16 Ca 0.04 0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.29 2wgo s VAL 16 Cb -0.01 -3.30 0.05 0.00 -1.53 0.00 0.00 36.38 31.60 2wgo s VAL 16 CO 0.03 -0.24 0.41 2.30 -3.33 0.00 0.00 175.10 174.28 2wgo n ILE 17 N 7.67 0.00 0.00 7.04 -5.35 0.22 -4.82 119.36 124.12 2wgo n ILE 17 Ca 0.29 -1.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.24 2wgo n ILE 17 Cb 0.49 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 2wgo n ILE 17 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2wgo n ASP 18 N -2.12 0.00 -4.01 7.28 -0.08 -1.26 -3.30 116.55 113.06 2wgo n ASP 18 Ca 0.04 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2wgo n ASP 18 Cb 0.45 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.91 2wgo n ASP 18 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2wgo n ASN 19 N 0.00 -1.74 -4.28 1.67 5.15 -1.26 -1.61 115.26 113.19 2wgo n ASN 19 Ca 0.00 -1.26 -0.37 0.00 -0.60 0.00 0.00 54.58 52.35 2wgo n ASN 19 Cb 0.00 -0.50 -0.03 0.00 -0.53 0.00 0.00 39.78 38.71 2wgo n ASN 19 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wgo n LEU 20 N 4.58 -1.57 0.00 1.20 4.77 -1.26 -4.83 117.00 119.89 2wgo n LEU 20 Ca 0.01 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2wgo n LEU 20 Cb 0.45 -2.01 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 2wgo n LEU 20 CO 0.46 0.26 0.00 0.49 -1.33 0.00 0.00 177.39 177.27 2wgo n PHE 21 N -4.34 0.00 -0.16 -1.77 0.99 -0.63 -4.43 117.46 107.13 2wgo n PHE 21 Ca 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.43 2wgo n PHE 21 Cb 0.49 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.99 2wgo n PHE 21 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2wgo h GLY 22 N 0.00 1.05 1.70 1.37 0.00 -1.85 -0.76 103.07 104.58 2wgo h GLY 22 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 47.33 46.37 2wgo h GLY 22 CO 0.00 0.81 -0.22 0.50 0.00 0.00 0.00 176.54 177.63 2wgo h LYS 23 N 0.85 0.36 -0.18 4.80 1.79 -1.89 -0.68 116.57 121.61 2wgo h LYS 23 Ca 0.12 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2wgo h LYS 23 Cb 0.72 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 2wgo h LYS 23 CO 0.06 0.56 0.01 0.93 -1.08 0.00 0.00 179.45 179.93 2wgo h GLU 24 N 0.32 0.31 0.03 3.15 4.39 -1.68 0.31 114.58 121.42 2wgo h GLU 24 Ca 0.05 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wgo h GLU 24 Cb 0.57 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2wgo h GLU 24 CO 0.04 0.51 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.16 2wgo h LEU 25 N 0.08 -0.52 -1.68 1.33 3.38 -0.83 0.88 115.31 117.94 2wgo h LEU 25 Ca 0.05 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.32 2wgo h LEU 25 Cb 0.36 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 2wgo h LEU 25 CO 0.01 -0.18 0.64 -0.07 0.09 0.00 0.00 178.44 178.93 2wgo h LEU 26 N -0.24 0.25 -0.05 1.67 3.38 -1.13 0.12 115.31 119.31 2wgo h LEU 26 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2wgo h LEU 26 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2wgo h LEU 26 CO -0.10 0.08 -0.08 -0.78 0.09 0.00 0.00 178.44 177.65 2wgo h ASP 27 N 0.24 0.15 -0.36 -0.43 1.82 0.26 0.91 116.42 119.01 2wgo h ASP 27 Ca 0.48 -0.56 -0.12 0.00 -0.39 0.00 0.00 57.03 56.45 2wgo h ASP 27 Cb 1.48 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.44 2wgo h ASP 27 CO -0.13 0.68 -0.20 0.11 -1.61 0.00 0.00 179.24 178.09 2wgo h LYS 28 N -0.37 0.85 -0.67 0.28 1.57 -0.01 -2.99 116.57 115.22 2wgo h LYS 28 Ca 0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2wgo h LYS 28 Cb 0.66 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wgo h LYS 28 CO 0.02 0.97 0.00 1.19 -0.57 0.00 0.00 179.45 181.06 2wgo n PHE 29 N -4.12 1.19 -0.33 -1.35 3.72 0.34 -4.19 117.46 112.73 2wgo n PHE 29 Ca 0.00 -0.52 -0.03 0.00 -0.05 0.00 0.00 57.45 56.86 2wgo n PHE 29 Cb 0.43 -0.13 0.12 0.00 -0.94 0.00 0.00 39.48 38.97 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 3.97 1.23 -0.34 -1.08 4.15 -0.65 0.20 115.11 122.59 2wgo h GLN 30 Ca 0.00 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.32 2wgo h GLN 30 Cb 1.18 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 2wgo h GLN 30 CO 0.12 0.86 0.23 0.22 -1.93 0.00 0.00 178.83 178.33 2wgo h ASP 31 N 1.25 0.36 0.01 -0.69 3.58 -1.79 0.35 116.42 119.49 2wgo h ASP 31 Ca 0.32 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.68 2wgo h ASP 31 Cb -0.04 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 40.93 2wgo h ASP 31 CO -0.06 0.26 -0.35 0.44 -2.88 0.00 0.00 179.24 176.65 2wgo h ASP 32 N 0.42 0.28 0.52 2.28 5.19 -1.37 0.40 116.42 124.15 2wgo h ASP 32 Ca 0.13 -0.81 -0.00 0.00 -0.62 0.00 0.00 57.03 55.73 2wgo h ASP 32 Cb 0.01 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 2wgo h ASP 32 CO -0.03 1.06 -0.02 0.40 -3.12 0.00 0.00 179.24 177.53 2wgo h ILE 33 N -0.46 0.09 0.16 0.35 2.04 -0.28 0.65 117.51 120.06 2wgo h ILE 33 Ca -0.05 -0.32 -0.36 0.00 1.00 0.00 0.00 64.86 65.13 2wgo h ILE 33 Cb 1.13 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2wgo h ILE 33 CO 0.07 0.02 -1.85 0.50 0.00 0.00 0.00 178.15 176.89 2wgo h LYS 34 N 0.00 0.33 -0.37 2.37 3.64 -0.26 0.32 116.57 122.60 2wgo h LYS 34 Ca -0.00 -0.57 0.05 0.00 -1.27 0.00 0.00 60.65 58.86 2wgo h LYS 34 Cb 0.29 0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2wgo h LYS 34 CO 0.00 1.27 0.09 0.22 -2.27 0.00 0.00 179.45 178.77 2wgo h ASP 35 N 0.07 0.05 0.99 4.20 1.82 0.67 0.57 116.42 124.79 2wgo h ASP 35 Ca -0.38 0.05 -0.20 0.00 -0.39 0.00 0.00 57.03 56.11 2wgo h ASP 35 Cb 2.06 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 42.10 2wgo h ASP 35 CO 0.13 0.07 -1.06 0.11 -1.61 0.00 0.00 179.24 176.88 2wgo h LYS 36 N 0.23 0.00 0.00 0.28 1.57 0.16 -3.43 116.57 115.38 2wgo h LYS 36 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2wgo h LYS 36 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2wgo h LYS 36 CO -0.21 0.76 -0.24 0.66 -0.57 0.00 0.00 179.45 179.85 2wgo n TYR 37 N -3.24 -0.44 0.00 -1.35 4.01 -0.30 -5.06 117.16 110.77 2wgo n TYR 37 Ca -0.03 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2wgo n TYR 37 Cb 0.91 0.36 0.00 0.00 -0.31 0.00 0.00 39.34 40.30 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 2.01 0.73 3.31 2.72 0.00 0.19 -4.91 105.19 109.24 2wgo n GLY 38 Ca 0.00 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.32 1.82 -0.25 1.61 1.01 -1.21 -4.90 120.40 117.15 2wgo s VAL 39 Ca 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 61.98 60.19 2wgo s VAL 39 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2wgo s VAL 39 CO 0.00 -0.13 0.12 -0.62 0.00 0.00 0.00 175.10 174.47 2wgo s ASP 40 N -2.19 5.58 0.02 3.32 -1.08 -1.26 -4.38 116.67 116.68 2wgo s ASP 40 Ca 0.11 -0.08 0.25 0.00 -0.52 0.00 0.00 52.55 52.31 2wgo s ASP 40 Cb -0.09 -2.01 0.57 0.00 -1.46 0.00 0.00 42.92 39.93 2wgo s ASP 40 CO 0.05 -0.01 1.46 0.35 0.52 0.00 0.00 175.17 177.54 2wgo n THR 41 N 4.79 0.05 -0.10 1.71 -2.24 -1.26 -3.55 114.28 113.68 2wgo n THR 41 Ca -0.15 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 2wgo n THR 41 Cb 0.52 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.67 0.00 -0.78 1.57 -1.93 -3.01 116.57 113.09 2wgo h LYS 42 Ca 0.00 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 2wgo h LYS 42 Cb 0.53 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2wgo h LYS 42 CO 0.00 0.92 -0.34 0.22 -0.57 0.00 0.00 179.45 179.68 2wgo h ASP 43 N 0.42 0.00 -2.22 0.86 -0.00 -1.99 -3.44 116.42 110.05 2wgo h ASP 43 Ca 0.06 0.00 -0.58 0.00 -0.00 0.00 0.00 57.03 56.51 2wgo h ASP 43 Cb 0.75 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 40.11 2wgo h ASP 43 CO 0.06 0.34 1.05 0.18 -0.00 0.00 0.00 179.24 180.87 2wgo n LEU 44 N -3.40 3.59 -4.52 2.28 4.77 -1.14 -4.89 117.00 113.69 2wgo n LEU 44 Ca 0.00 0.99 -0.42 0.00 -0.03 0.00 0.00 56.01 56.55 2wgo n LEU 44 Cb 0.53 -1.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.10 2wgo n LEU 44 CO 0.36 -0.02 0.23 -0.75 -1.33 0.00 0.00 177.39 175.88 2wgo s LYS 45 N 3.15 3.33 -0.21 3.23 2.20 -1.16 -4.91 119.74 125.38 2wgo s LYS 45 Ca 0.87 -0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 2wgo s LYS 45 Cb -0.61 -3.91 -0.02 0.00 -1.51 0.00 0.00 37.83 31.78 2wgo s LYS 45 CO 0.44 -0.83 1.44 0.42 -0.36 0.00 0.00 175.35 176.46 2wgo s ILE 46 N 2.44 3.96 -0.07 5.43 1.01 -1.26 -0.36 121.20 132.34 2wgo s ILE 46 Ca 0.18 1.11 -0.10 0.00 0.00 0.00 0.00 60.65 61.84 2wgo s ILE 46 Cb -0.16 -3.88 -0.30 0.00 0.01 0.00 0.00 42.46 38.14 2wgo s ILE 46 CO 0.15 -0.28 0.58 -0.07 0.00 0.00 0.00 174.94 175.33 2wgo h LEU 47 N 10.77 0.57 -7.19 2.97 3.38 -0.43 -3.48 115.31 121.90 2wgo h LEU 47 Ca -0.30 -0.95 -0.09 0.00 0.09 0.00 0.00 57.88 56.63 2wgo h LEU 47 Cb 1.13 -0.18 -0.23 0.00 0.09 0.00 0.00 40.66 41.47 2wgo h LEU 47 CO 1.00 1.81 -0.08 -0.75 0.09 0.00 0.00 178.44 180.51 2wgo s LYS 48 N -2.57 0.65 -0.06 1.13 2.20 -0.81 -5.01 119.74 115.27 2wgo s LYS 48 Ca -0.18 0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 56.11 2wgo s LYS 48 Cb 0.06 0.31 0.04 0.00 -1.51 0.00 0.00 37.83 36.73 2wgo s LYS 48 CO 0.83 -0.09 0.12 0.99 -0.36 0.00 0.00 175.35 176.84 2wgo s THR 49 N 0.19 -0.09 0.01 3.43 2.01 -1.21 -0.12 115.64 119.85 2wgo s THR 49 Ca -0.01 0.24 -0.24 0.00 0.31 0.00 0.00 61.69 61.99 2wgo s THR 49 Cb -0.04 -0.21 0.05 0.00 0.01 0.00 0.00 72.50 72.32 2wgo s THR 49 CO 0.01 0.10 0.54 -0.44 -0.69 0.00 0.00 174.62 174.14 2wgo s SER 50 N 1.42 -0.48 0.27 3.53 0.01 -1.09 0.70 113.70 118.07 2wgo s SER 50 Ca -0.06 0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.62 2wgo s SER 50 Cb -0.12 0.48 -0.05 0.00 0.21 0.00 0.00 66.02 66.54 2wgo s SER 50 CO -0.05 -0.65 -0.11 -1.83 0.41 0.00 0.00 173.24 171.01 2wgo s GLU 51 N -1.88 1.56 0.00 12.44 1.03 -1.26 0.37 118.70 130.96 2wgo s GLU 51 Ca -0.08 -1.76 0.00 0.00 0.03 0.00 0.00 54.97 53.16 2wgo s GLU 51 Cb -0.01 -1.35 0.00 0.00 -0.80 0.00 0.00 34.13 31.97 2wgo s GLU 51 CO 0.03 0.15 0.00 -3.47 -1.33 0.00 0.00 175.26 170.63 2wgo n ASP 52 N -0.57 0.00 -4.40 0.83 2.03 -0.93 -3.94 116.55 109.56 2wgo n ASP 52 Ca -0.06 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.80 2wgo n ASP 52 Cb 0.62 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.00 2wgo n ASP 52 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2wgo s LYS 53 N 0.90 3.61 0.00 -0.67 2.47 -1.26 -4.57 119.74 120.22 2wgo s LYS 53 Ca 0.00 -2.05 0.00 0.00 -1.56 0.00 0.00 55.97 52.36 2wgo s LYS 53 Cb 0.00 -4.73 0.00 0.00 -1.46 0.00 0.00 37.83 31.64 2wgo s LYS 53 CO 0.00 -1.59 0.00 0.54 0.16 0.00 0.00 175.35 174.46 2wgo n ARG 54 N 5.52 0.00 -2.67 4.03 1.74 -1.26 -4.93 116.66 119.09 2wgo n ARG 54 Ca 0.20 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.87 2wgo n ARG 54 Cb 0.48 -0.06 -0.04 0.00 -1.02 0.00 0.00 32.46 31.82 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 0.00 3.72 -0.25 -1.55 2.99 -1.26 -3.16 117.98 118.47 2wgo s PHE 55 Ca 0.00 1.71 -0.09 0.00 0.00 0.00 0.00 56.93 58.55 2wgo s PHE 55 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 43.02 39.85 2wgo s PHE 55 CO 0.00 -0.07 0.11 0.71 -0.00 0.00 0.00 175.22 175.97 2wgo s TYR 56 N 0.31 3.16 -0.95 0.36 2.02 0.13 -2.19 117.35 120.19 2wgo s TYR 56 Ca 0.49 -0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.92 2wgo s TYR 56 Cb -0.24 -2.26 0.23 0.00 -0.40 0.00 0.00 41.96 39.29 2wgo s TYR 56 CO 0.30 -0.20 0.93 0.71 -1.57 0.00 0.00 175.55 175.72 2wgo s TYR 57 N 1.44 3.90 -1.02 2.71 2.02 0.16 -1.52 117.35 125.05 2wgo s TYR 57 Ca 0.06 -2.21 -0.13 0.00 -0.37 0.00 0.00 57.07 54.42 2wgo s TYR 57 Cb -0.15 -3.87 0.22 0.00 -0.40 0.00 0.00 41.96 37.76 2wgo s TYR 57 CO 0.06 -1.02 1.08 0.08 -1.57 0.00 0.00 175.55 174.17 2wgo s VAL 58 N -0.16 5.49 -0.29 0.71 1.01 -0.86 -2.68 120.40 123.62 2wgo s VAL 58 Ca 0.24 -2.69 -0.27 0.00 0.00 0.00 0.00 61.98 59.26 2wgo s VAL 58 Cb -0.09 -4.65 0.01 0.00 0.00 0.00 0.00 36.38 31.64 2wgo s VAL 58 CO -0.08 -1.28 0.96 -0.55 0.00 0.00 0.00 175.10 174.15 2wgo s SER 59 N 2.24 6.87 0.13 3.32 0.15 0.83 0.34 113.70 127.59 2wgo s SER 59 Ca 0.30 0.99 0.06 0.00 0.70 0.00 0.00 55.95 57.99 2wgo s SER 59 Cb -0.08 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2wgo s SER 59 CO -0.07 -0.73 -0.13 0.68 1.20 0.00 0.00 173.24 174.19 2wgo s VAL 60 N 3.29 1.31 -0.21 4.45 -7.23 0.75 0.37 120.40 123.12 2wgo s VAL 60 Ca 0.40 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.46 2wgo s VAL 60 Cb -0.14 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.18 2wgo s VAL 60 CO 0.12 -0.51 1.14 -0.62 -0.31 0.00 0.00 175.10 174.92 2wgo s ASP 61 N -2.68 7.01 0.00 4.85 2.15 0.51 -0.65 116.67 127.87 2wgo s ASP 61 Ca 0.11 1.47 0.20 0.00 0.43 0.00 0.00 52.55 54.76 2wgo s ASP 61 Cb -0.03 -2.54 1.19 0.00 -0.30 0.00 0.00 42.92 41.24 2wgo s ASP 61 CO 0.03 -0.74 1.68 0.00 -0.17 0.00 0.00 175.17 175.97 2wgo n ALA 62 N 6.53 2.48 0.00 3.66 0.00 0.90 -2.97 120.51 131.11 2wgo n ALA 62 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wgo n ALA 62 Cb 0.46 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.62 2.14 0.31 0.00 0.00 -1.26 -4.59 105.19 102.41 2wgo n GLY 63 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2wgo n GLY 63 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wgo h ASP 64 N 0.00 0.68 0.00 1.61 3.58 -2.01 -3.46 116.42 116.81 2wgo h ASP 64 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2wgo h ASP 64 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2wgo h ASP 64 CO 0.00 0.59 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 2wgo n GLY 65 N -1.15 1.24 3.78 -0.78 0.00 -1.26 -5.14 105.19 101.87 2wgo n GLY 65 Ca 0.04 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.29 -0.31 1.61 2.02 -1.26 -4.78 118.70 118.27 2wgo s GLU 66 Ca 0.00 1.02 0.03 0.00 0.02 0.00 0.00 54.97 56.04 2wgo s GLU 66 Cb 0.00 -1.91 0.08 0.00 0.10 0.00 0.00 34.13 32.40 2wgo s GLU 66 CO 0.00 -1.58 -0.02 0.15 0.02 0.00 0.00 175.26 173.84 2wgo s LYS 67 N -4.97 1.91 -0.20 1.61 1.02 -1.26 -0.07 119.74 117.79 2wgo s LYS 67 Ca 0.61 -1.60 -0.08 0.00 0.02 0.00 0.00 55.97 54.92 2wgo s LYS 67 Cb -0.16 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2wgo s LYS 67 CO 0.56 -0.76 0.08 0.00 -0.92 0.00 0.00 175.35 174.31 2wgo s LYS 69 N 0.72 3.00 -0.75 0.00 2.20 0.64 -0.18 119.74 125.37 2wgo s LYS 69 Ca 0.04 -1.34 -0.26 0.00 -0.36 0.00 0.00 55.97 54.06 2wgo s LYS 69 Cb -0.13 -4.15 -0.02 0.00 -1.51 0.00 0.00 37.83 32.02 2wgo s LYS 69 CO 0.02 -1.10 1.81 -0.06 -0.36 0.00 0.00 175.35 175.65 2wgo s PHE 70 N 1.79 1.82 -1.31 4.03 0.08 0.15 -1.83 117.98 122.72 2wgo s PHE 70 Ca 0.06 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.49 2wgo s PHE 70 Cb -0.24 -4.17 0.09 0.00 -0.57 0.00 0.00 43.02 38.13 2wgo s PHE 70 CO 0.07 -2.07 1.77 1.17 -0.10 0.00 0.00 175.22 176.05 2wgo n LYS 71 N 9.08 3.19 -2.66 0.44 4.81 0.20 -2.03 118.16 131.19 2wgo n LYS 71 Ca 0.26 -3.28 -0.42 0.00 -0.87 0.00 0.00 58.31 54.00 2wgo n LYS 71 Cb 0.50 -3.37 -0.03 0.00 0.02 0.00 0.00 35.03 32.14 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 3.51 4.00 -0.88 3.15 1.01 -0.58 -0.70 121.20 130.71 2wgo s ILE 72 Ca 0.51 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.48 2wgo s ILE 72 Cb 0.05 -4.78 0.00 0.00 0.01 0.00 0.00 42.46 37.73 2wgo s ILE 72 CO 0.04 -1.57 0.40 -1.14 0.00 0.00 0.00 174.94 172.66 2wgo n ARG 73 N 8.58 0.71 -1.16 2.79 0.63 -1.26 0.18 116.66 127.14 2wgo n ARG 73 Ca 0.02 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.11 2wgo n ARG 73 Cb 0.48 -1.33 -0.05 0.00 0.45 0.00 0.00 32.46 32.01 2wgo n ARG 73 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2wgo n LYS 74 N 0.20 -2.44 -0.58 -0.14 5.02 -1.19 -3.98 118.16 115.05 2wgo n LYS 74 Ca 0.00 1.73 -0.04 0.00 -2.02 0.00 0.00 58.31 57.99 2wgo n LYS 74 Cb 0.20 -2.93 -0.05 0.00 -0.02 0.00 0.00 35.03 32.23 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 -3.80 4.62 -4.56 4.39 2.03 -0.75 -4.81 116.55 113.66 2wgo n ASP 75 Ca -0.01 -2.27 -0.21 0.00 0.52 0.00 0.00 54.79 52.82 2wgo n ASP 75 Cb 0.53 -1.07 -0.06 0.00 -0.72 0.00 0.00 41.12 39.81 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wgo s VAL 76 N 0.60 3.19 0.00 5.18 -7.23 -1.26 -3.93 120.40 116.95 2wgo s VAL 76 Ca 0.20 -0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 2wgo s VAL 76 Cb 0.10 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2wgo s VAL 76 CO 0.00 -0.40 0.00 -0.67 -0.31 0.00 0.00 175.10 173.72 2wgo n ASP 77 N 16.49 0.00 -4.71 4.85 2.03 -1.26 -4.86 116.55 129.09 2wgo n ASP 77 Ca 0.42 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.41 2wgo n ASP 77 Cb 0.46 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.78 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 4.26 -0.85 5.18 -7.23 -1.25 -5.03 120.40 115.47 2wgo s VAL 78 Ca 0.00 -0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 2wgo s VAL 78 Cb 0.00 -2.94 0.09 0.00 0.56 0.00 0.00 36.38 34.09 2wgo s VAL 78 CO 0.00 0.30 2.58 -0.81 -0.31 0.00 0.00 175.10 176.87 2wgo n PRO 79 N 1.13 3.44 -3.85 4.82 -0.04 -1.26 -4.43 135.00 134.80 2wgo n PRO 79 Ca -0.13 -2.89 -0.12 0.00 -0.04 0.00 0.00 63.50 60.32 2wgo n PRO 79 Cb 0.52 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 2wgo n PRO 79 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wgo s LYS 80 N -1.54 0.49 -0.67 0.54 1.02 -1.26 -0.04 119.74 118.28 2wgo s LYS 80 Ca 0.56 -0.32 -0.26 0.00 0.02 0.00 0.00 55.97 55.97 2wgo s LYS 80 Cb 0.29 0.21 0.04 0.00 -0.52 0.00 0.00 37.83 37.85 2wgo s LYS 80 CO -0.17 -0.12 1.18 -1.64 -0.92 0.00 0.00 175.35 173.69 2wgo s MET 81 N -1.26 3.28 0.48 1.68 -1.94 -1.26 -4.75 119.30 115.53 2wgo s MET 81 Ca -0.13 -0.19 0.16 0.00 -1.71 0.00 0.00 55.69 53.82 2wgo s MET 81 Cb -0.07 -4.13 1.17 0.00 2.01 0.00 0.00 34.83 33.81 2wgo s MET 81 CO 0.02 -1.92 2.06 -0.24 -0.01 0.00 0.00 175.02 174.92 2wgo h VAL 82 N 6.06 0.93 -4.02 -6.03 3.04 -1.92 -3.42 116.25 110.89 2wgo h VAL 82 Ca -0.27 -0.07 -0.56 0.00 -1.01 0.00 0.00 66.70 64.79 2wgo h VAL 82 Cb 1.06 0.72 -0.23 0.00 -2.01 0.00 0.00 31.29 30.82 2wgo h VAL 82 CO 1.22 0.04 -0.83 -0.83 -1.01 0.00 0.00 177.57 176.16 2wgo s GLY 83 N -3.92 1.18 -0.34 3.17 0.00 0.12 -4.89 107.32 102.64 2wgo s GLY 83 Ca -0.06 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.53 2wgo s GLY 83 CO 0.71 -1.14 1.21 -0.96 0.00 0.00 0.00 173.10 172.93 2wgo n ARG 84 N 1.38 0.35 -3.66 2.90 1.85 -1.24 -0.63 116.66 117.60 2wgo n ARG 84 Ca -0.19 -0.92 -0.36 0.00 -1.00 0.00 0.00 57.85 55.38 2wgo n ARG 84 Cb 0.53 -0.14 -0.08 0.00 -1.05 0.00 0.00 32.46 31.73 2wgo n ARG 84 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2wgo s LYS 85 N 0.07 4.19 -0.35 2.89 2.47 -0.76 -4.78 119.74 123.47 2wgo s LYS 85 Ca 0.13 -0.14 -0.21 0.00 -1.56 0.00 0.00 55.97 54.18 2wgo s LYS 85 Cb 0.20 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 33.12 2wgo s LYS 85 CO -0.09 0.23 0.68 0.00 0.16 0.00 0.00 175.35 176.33 2wgo n ARG 87 N 6.11 1.94 0.11 0.00 1.74 -0.46 -4.90 116.66 121.21 2wgo n ARG 87 Ca -0.00 -4.50 0.01 0.00 -0.77 0.00 0.00 57.85 52.59 2wgo n ARG 87 Cb 0.48 -2.30 -0.01 0.00 -1.02 0.00 0.00 32.46 29.61 2wgo n ARG 87 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2wgo h LYS 88 N 5.42 0.00 0.00 5.56 3.64 -1.94 -3.38 116.57 125.88 2wgo h LYS 88 Ca 0.15 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 2wgo h LYS 88 Cb 0.76 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2wgo h LYS 88 CO 0.74 0.53 -1.05 -3.47 -2.27 0.00 0.00 179.45 173.92 2wgo n ASP 89 N -3.19 1.86 -3.83 4.20 2.03 -1.26 -4.88 116.55 111.48 2wgo n ASP 89 Ca 0.00 0.49 -0.13 0.00 0.52 0.00 0.00 54.79 55.68 2wgo n ASP 89 Cb 0.77 -0.88 -0.14 0.00 -0.72 0.00 0.00 41.12 40.16 2wgo n ASP 89 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2wgo s ASP 90 N -6.31 -0.02 -0.20 1.67 -4.77 -1.26 -5.13 116.67 100.64 2wgo s ASP 90 Ca -0.24 0.09 -0.03 0.00 -3.30 0.00 0.00 52.55 49.06 2wgo s ASP 90 Cb 0.05 0.05 0.06 0.00 -1.09 0.00 0.00 42.92 42.00 2wgo s ASP 90 CO 0.40 -0.05 0.05 -0.62 0.70 0.00 0.00 175.17 175.65 2wgo s ASP 91 N 0.34 2.91 0.00 2.11 2.15 -1.26 -4.78 116.67 118.14 2wgo s ASP 91 Ca -0.03 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.09 2wgo s ASP 91 Cb -0.04 -0.53 0.00 0.00 -0.30 0.00 0.00 42.92 42.05 2wgo s ASP 91 CO -0.01 -0.33 0.11 -0.67 -0.17 0.00 0.00 175.17 174.10 2wgo n ASP 92 N 5.09 0.00 -4.55 -0.34 2.03 -1.26 -5.09 116.55 112.43 2wgo n ASP 92 Ca -0.08 -1.00 -0.34 0.00 0.52 0.00 0.00 54.79 53.89 2wgo n ASP 92 Cb 0.47 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.76 2wgo n ASP 92 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 93 N 0.00 5.05 -0.00 1.67 3.68 -1.26 -4.97 116.67 120.84 2wgo s ASP 93 Ca 0.00 -0.05 0.21 0.00 2.13 0.00 0.00 52.55 54.84 2wgo s ASP 93 Cb 0.00 -1.80 -0.21 0.00 -1.45 0.00 0.00 42.92 39.46 2wgo s ASP 93 CO 0.00 0.19 0.88 0.47 0.13 0.00 0.00 175.17 176.84 2wgo n ASP 94 N 3.39 0.89 -4.52 -0.34 9.92 -1.26 -4.83 116.55 119.80 2wgo n ASP 94 Ca -0.17 -0.87 -0.42 0.00 -0.53 0.00 0.00 54.79 52.79 2wgo n ASP 94 Cb 0.52 1.07 -0.03 0.00 -0.64 0.00 0.00 41.12 42.04 2wgo n ASP 94 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2wgo s GLY 95 N -3.15 1.53 0.00 0.44 0.00 -1.26 -5.10 107.32 99.78 2wgo s GLY 95 Ca 0.07 -2.49 0.14 0.00 0.00 0.00 0.00 44.72 42.43 2wgo s GLY 95 CO 0.87 2.46 0.93 -1.72 0.00 0.00 0.00 173.10 175.63