#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 4.58 -4.81 1.61 7.64 -1.26 -4.34 113.62 117.04 2wgo n SER 0 Ca 0.00 -2.68 -0.39 0.00 1.01 0.00 0.00 58.87 56.82 2wgo n SER 0 Cb 0.00 -1.42 -0.06 0.00 -1.01 0.00 0.00 64.21 61.72 2wgo n SER 0 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2wgo s LEU 1 N 1.26 4.53 -0.30 -3.43 0.05 -1.26 -3.31 118.68 116.22 2wgo s LEU 1 Ca 0.53 1.32 0.07 0.00 0.05 0.00 0.00 54.13 56.10 2wgo s LEU 1 Cb 0.14 -2.98 0.27 0.00 -2.05 0.00 0.00 46.19 41.58 2wgo s LEU 1 CO -0.02 0.26 1.23 0.00 -0.55 0.00 0.00 176.35 177.26 2wgo n ILE 2 N 1.65 0.00 -1.60 1.48 0.13 -1.26 -4.91 119.36 114.86 2wgo n ILE 2 Ca -0.09 -0.94 -0.13 0.00 -1.10 0.00 0.00 62.75 60.49 2wgo n ILE 2 Cb 0.50 0.84 0.09 0.00 -0.84 0.00 0.00 39.64 40.23 2wgo n ILE 2 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 2wgo n LEU 3 N -0.80 0.00 0.00 9.51 4.77 -1.26 -4.76 117.00 124.47 2wgo n LEU 3 Ca -0.12 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2wgo n LEU 3 Cb 0.76 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2wgo n LEU 3 CO -0.10 -0.89 0.00 -0.67 -1.33 0.00 0.00 177.39 174.40 2wgo n ASP 4 N -3.31 0.00 0.00 -1.43 -0.08 -1.26 -4.93 116.55 105.54 2wgo n ASP 4 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2wgo n ASP 4 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 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 0.00 -0.15 2.31 0.27 0.00 -1.26 -4.90 105.19 101.46 2wgo n GLY 5 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -3.96 0.00 1.61 2.03 -1.26 -4.80 116.55 110.17 2wgo n ASP 6 Ca 0.00 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2wgo n ASP 6 Cb 0.00 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.88 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2wgo n LEU 7 N -0.08 0.00 -3.65 -2.67 4.77 -1.26 -4.94 117.00 109.16 2wgo n LEU 7 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2wgo n LEU 7 Cb 0.17 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.14 2wgo n LEU 7 CO 0.01 0.00 -0.08 -0.22 -1.33 0.00 0.00 177.39 175.77 2wgo s LEU 8 N -3.53 -0.42 -0.86 2.23 0.20 -1.26 -4.95 118.68 110.08 2wgo s LEU 8 Ca 0.00 0.71 -0.25 0.00 0.69 0.00 0.00 54.13 55.28 2wgo s LEU 8 Cb 0.00 0.92 0.04 0.00 -0.43 0.00 0.00 46.19 46.72 2wgo s LEU 8 CO 0.00 -0.24 1.34 -0.54 -0.29 0.00 0.00 176.35 176.63 2wgo s LYS 9 N 2.49 3.37 0.00 1.98 -0.14 -1.26 -4.87 119.74 121.30 2wgo s LYS 9 Ca 0.01 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 2wgo s LYS 9 Cb -0.12 -4.71 0.00 0.00 -1.68 0.00 0.00 37.83 31.32 2wgo s LYS 9 CO -0.10 -2.16 0.00 -3.47 -0.76 0.00 0.00 175.35 168.86 2wgo n ASP 10 N 9.08 0.00 -3.64 2.83 2.03 -1.26 -5.09 116.55 120.50 2wgo n ASP 10 Ca 0.16 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.41 2wgo n ASP 10 Cb 0.50 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 2wgo n ASP 10 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2wgo s LYS 11 N 0.00 0.34 -0.19 -0.67 2.47 -1.26 -5.12 119.74 115.31 2wgo s LYS 11 Ca 0.00 0.43 -0.29 0.00 -1.56 0.00 0.00 55.97 54.55 2wgo s LYS 11 Cb 0.00 0.15 -0.03 0.00 -1.46 0.00 0.00 37.83 36.49 2wgo s LYS 11 CO 0.00 -0.04 1.69 -1.17 0.16 0.00 0.00 175.35 175.99 2wgo s LEU 12 N 0.33 3.92 -0.56 5.43 2.96 -1.26 -4.96 118.68 124.54 2wgo s LEU 12 Ca 0.03 1.75 -0.27 0.00 -0.22 0.00 0.00 54.13 55.41 2wgo s LEU 12 Cb -0.05 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.14 2wgo s LEU 12 CO -0.10 -1.29 1.12 -0.75 -1.32 0.00 0.00 176.35 174.01 2wgo s LYS 13 N 4.77 3.49 0.41 1.98 2.20 -1.26 -4.88 119.74 126.45 2wgo s LYS 13 Ca 0.75 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 2wgo s LYS 13 Cb -0.27 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 2wgo s LYS 13 CO 0.31 -1.59 0.00 1.28 -0.36 0.00 0.00 175.35 174.99 2wgo n LEU 14 N 8.10 -0.78 0.28 5.43 4.77 -1.26 -3.01 117.00 130.53 2wgo n LEU 14 Ca 0.07 1.76 0.18 0.00 -0.03 0.00 0.00 56.01 57.99 2wgo n LEU 14 Cb 0.49 -4.45 0.71 0.00 -2.33 0.00 0.00 43.42 37.83 2wgo n LEU 14 CO 0.69 -3.26 1.00 1.55 -1.33 0.00 0.00 177.39 176.05 2wgo h PRO 15 N -1.35 0.00 -3.27 3.23 0.13 -1.93 -3.40 132.00 125.41 2wgo h PRO 15 Ca -0.04 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.64 2wgo h PRO 15 Cb 1.35 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.08 2wgo h PRO 15 CO 0.03 0.00 -0.75 0.08 -0.23 0.00 0.00 178.00 177.13 2wgo s VAL 16 N -3.69 0.07 1.17 1.56 1.01 -1.26 -4.77 120.40 114.50 2wgo s VAL 16 Ca 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2wgo s VAL 16 Cb 0.09 -0.57 0.27 0.00 0.00 0.00 0.00 36.38 36.18 2wgo s VAL 16 CO 0.54 -0.11 1.09 -0.63 0.00 0.00 0.00 175.10 175.98 2wgo s ILE 17 N 2.07 1.69 0.66 2.22 1.01 0.14 -4.84 121.20 124.15 2wgo s ILE 17 Ca 0.02 0.00 0.26 0.00 0.00 0.00 0.00 60.65 60.94 2wgo s ILE 17 Cb -0.15 -2.44 0.28 0.00 0.01 0.00 0.00 42.46 40.16 2wgo s ILE 17 CO -0.07 0.00 1.81 0.44 0.00 0.00 0.00 174.94 177.12 2wgo h ASP 18 N -2.49 0.00 0.00 3.58 5.19 -1.87 -3.41 116.42 117.42 2wgo h ASP 18 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2wgo h ASP 18 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 2wgo h ASP 18 CO 0.41 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.12 2wgo n ASN 19 N -2.94 0.00 -0.05 6.45 3.02 -1.26 -4.44 115.26 116.04 2wgo n ASN 19 Ca -0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.51 2wgo n ASN 19 Cb 0.49 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.86 2wgo n ASN 19 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wgo h LEU 20 N 0.00 0.62 -0.77 3.41 5.85 -1.98 0.52 115.31 122.96 2wgo h LEU 20 Ca 0.00 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2wgo h LEU 20 Cb 0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2wgo h LEU 20 CO 0.00 0.74 0.50 0.15 -0.34 0.00 0.00 178.44 179.49 2wgo h PHE 21 N 0.59 0.93 -0.48 1.25 3.57 -1.93 -0.11 116.94 120.76 2wgo h PHE 21 Ca 0.11 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2wgo h PHE 21 Cb 0.49 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2wgo h PHE 21 CO 0.02 0.55 0.05 0.78 -2.23 0.00 0.00 178.31 177.49 2wgo h GLY 22 N 0.98 0.88 0.18 2.40 0.00 -1.70 -2.37 103.07 103.45 2wgo h GLY 22 Ca 0.30 -0.61 0.16 0.00 0.00 0.00 0.00 47.33 47.18 2wgo h GLY 22 CO -0.09 0.56 0.50 0.50 0.00 0.00 0.00 176.54 178.01 2wgo h LYS 23 N 0.68 0.65 0.31 4.80 1.79 0.74 0.33 116.57 125.89 2wgo h LYS 23 Ca 0.14 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2wgo h LYS 23 Cb 0.43 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2wgo h LYS 23 CO 0.01 0.43 -0.25 0.93 -1.08 0.00 0.00 179.45 179.50 2wgo h GLU 24 N 0.67 -0.54 -0.14 3.15 4.39 -0.74 0.16 114.58 121.53 2wgo h GLU 24 Ca 0.51 0.04 0.02 0.00 0.34 0.00 0.00 59.36 60.27 2wgo h GLU 24 Cb 0.74 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 2wgo h GLU 24 CO -0.37 -0.36 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.71 2wgo h LEU 25 N -0.56 -1.08 -1.78 1.33 4.07 -0.56 -1.41 115.31 115.31 2wgo h LEU 25 Ca -0.02 0.13 0.01 0.00 0.08 0.00 0.00 57.88 58.08 2wgo h LEU 25 Cb 0.50 0.43 -0.01 0.00 1.08 0.00 0.00 40.66 42.65 2wgo h LEU 25 CO -0.01 -0.28 0.15 -0.07 -1.08 0.00 0.00 178.44 177.15 2wgo h LEU 26 N -0.32 0.25 -0.50 1.67 4.07 -0.37 0.95 115.31 121.07 2wgo h LEU 26 Ca 0.03 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 2wgo h LEU 26 Cb 0.40 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 2wgo h LEU 26 CO -0.30 0.18 0.08 -0.78 -1.08 0.00 0.00 178.44 176.54 2wgo h ASP 27 N 0.30 0.79 -0.20 -0.43 1.82 -0.31 0.13 116.42 118.51 2wgo h ASP 27 Ca 0.09 -0.26 -0.15 0.00 -0.39 0.00 0.00 57.03 56.32 2wgo h ASP 27 Cb -0.01 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.80 2wgo h ASP 27 CO -0.02 0.85 -0.45 0.11 -1.61 0.00 0.00 179.24 178.12 2wgo h LYS 28 N 0.70 0.66 -0.01 0.28 1.57 -0.03 -3.18 116.57 116.55 2wgo h LYS 28 Ca 0.15 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2wgo h LYS 28 Cb 0.40 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2wgo h LYS 28 CO 0.01 1.06 -0.02 1.19 -0.57 0.00 0.00 179.45 181.12 2wgo n PHE 29 N -4.19 0.00 -0.23 -1.35 3.72 0.18 -3.93 117.46 111.65 2wgo n PHE 29 Ca -0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 2wgo n PHE 29 Cb 0.57 -0.02 0.34 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.66 0.76 -0.80 -1.08 4.15 -0.72 -1.31 115.11 117.77 2wgo h GLN 30 Ca 0.00 -0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.50 2wgo h GLN 30 Cb 0.38 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 2wgo h GLN 30 CO 0.00 0.50 0.52 0.22 -1.93 0.00 0.00 178.83 178.15 2wgo h ASP 31 N 0.78 0.58 0.00 -0.69 1.82 -1.80 0.84 116.42 117.96 2wgo h ASP 31 Ca 0.37 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 57.03 2wgo h ASP 31 Cb 0.39 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2wgo h ASP 31 CO -0.14 0.32 -0.00 0.44 -1.61 0.00 0.00 179.24 178.25 2wgo h ASP 32 N 0.63 -0.00 0.04 2.28 3.32 -1.55 -0.84 116.42 120.29 2wgo h ASP 32 Ca 0.39 -0.74 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 2wgo h ASP 32 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2wgo h ASP 32 CO -0.15 0.74 -0.08 0.40 -1.72 0.00 0.00 179.24 178.42 2wgo h ILE 33 N -0.75 1.12 0.00 0.35 2.04 -0.97 0.11 117.51 119.41 2wgo h ILE 33 Ca -0.00 -0.51 -0.26 0.00 1.00 0.00 0.00 64.86 65.09 2wgo h ILE 33 Cb 0.74 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 2wgo h ILE 33 CO 0.00 0.16 -1.57 0.50 0.00 0.00 0.00 178.15 177.23 2wgo h LYS 34 N 0.13 0.00 0.10 2.37 3.64 0.62 -0.34 116.57 123.09 2wgo h LYS 34 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2wgo h LYS 34 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2wgo h LYS 34 CO 0.01 0.50 -0.05 0.22 -2.27 0.00 0.00 179.45 177.87 2wgo h ASP 35 N 0.00 -0.11 -0.03 4.20 1.82 -0.82 -1.81 116.42 119.67 2wgo h ASP 35 Ca -0.23 -0.38 -0.18 0.00 -0.39 0.00 0.00 57.03 55.85 2wgo h ASP 35 Cb 1.91 0.03 0.01 0.00 0.68 0.00 0.00 39.33 41.96 2wgo h ASP 35 CO 0.08 0.35 -0.67 0.11 -1.61 0.00 0.00 179.24 177.50 2wgo h LYS 36 N -0.60 0.51 0.00 0.28 1.57 -0.87 -3.39 116.57 114.07 2wgo h LYS 36 Ca -0.01 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2wgo h LYS 36 Cb 0.48 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2wgo h LYS 36 CO 0.02 1.14 -0.79 0.66 -0.57 0.00 0.00 179.45 179.91 2wgo n TYR 37 N -4.14 0.00 -1.90 -1.35 4.01 -0.26 -5.02 117.16 108.50 2wgo n TYR 37 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2wgo n TYR 37 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.73 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 2.18 0.52 3.87 2.72 0.00 -0.49 -4.95 105.19 109.04 2wgo n GLY 38 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 5.01 -0.23 1.61 1.01 -1.07 -4.88 120.40 119.78 2wgo s VAL 39 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 2wgo s VAL 39 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2wgo s VAL 39 CO 0.00 0.13 0.01 -0.62 0.00 0.00 0.00 175.10 174.62 2wgo s ASP 40 N -2.04 4.73 0.17 3.32 -1.08 -1.26 -3.88 116.67 116.62 2wgo s ASP 40 Ca 0.40 -0.29 0.27 0.00 -0.52 0.00 0.00 52.55 52.41 2wgo s ASP 40 Cb -0.13 -1.83 0.90 0.00 -1.46 0.00 0.00 42.92 40.40 2wgo s ASP 40 CO 0.20 -0.01 1.81 0.35 0.52 0.00 0.00 175.17 178.03 2wgo n THR 41 N 4.77 0.47 0.24 1.71 -2.24 -1.26 -2.07 114.28 115.90 2wgo n THR 41 Ca -0.17 -0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.51 2wgo n THR 41 Cb 0.51 -0.56 0.41 0.00 -2.10 0.00 0.00 70.33 68.59 2wgo n THR 41 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wgo h LYS 42 N 0.00 0.00 0.15 -0.78 3.64 -1.94 -3.17 116.57 114.47 2wgo h LYS 42 Ca 0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 2wgo h LYS 42 Cb 0.69 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2wgo h LYS 42 CO 0.00 0.07 -1.71 0.22 -2.27 0.00 0.00 179.45 175.76 2wgo h ASP 43 N 0.00 0.50 -1.33 4.20 1.82 -1.82 -3.45 116.42 116.35 2wgo h ASP 43 Ca -0.00 -0.91 -0.64 0.00 -0.39 0.00 0.00 57.03 55.09 2wgo h ASP 43 Cb 0.80 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 2wgo h ASP 43 CO 0.01 1.76 1.45 0.18 -1.61 0.00 0.00 179.24 181.03 2wgo n LEU 44 N -3.67 2.41 -4.59 2.28 4.77 -1.03 -4.87 117.00 112.29 2wgo n LEU 44 Ca -0.27 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 2wgo n LEU 44 Cb 1.02 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2wgo n LEU 44 CO 0.46 -0.75 1.16 -0.75 -1.33 0.00 0.00 177.39 176.17 2wgo s LYS 45 N 6.38 3.57 -0.26 3.23 2.20 -0.40 -4.83 119.74 129.63 2wgo s LYS 45 Ca 1.07 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 57.06 2wgo s LYS 45 Cb -0.70 -4.00 -0.01 0.00 -1.51 0.00 0.00 37.83 31.61 2wgo s LYS 45 CO 0.44 -1.58 1.41 0.42 -0.36 0.00 0.00 175.35 175.69 2wgo s ILE 46 N 5.17 3.99 -0.07 5.43 1.01 -1.26 0.01 121.20 135.48 2wgo s ILE 46 Ca 0.54 1.12 -0.08 0.00 0.00 0.00 0.00 60.65 62.23 2wgo s ILE 46 Cb -0.10 -3.98 -0.28 0.00 0.01 0.00 0.00 42.46 38.10 2wgo s ILE 46 CO 0.31 -0.38 0.57 -0.07 0.00 0.00 0.00 174.94 175.37 2wgo h LEU 47 N 11.07 0.50 -6.16 2.97 3.38 -0.31 -3.46 115.31 123.30 2wgo h LEU 47 Ca -0.29 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 56.78 2wgo h LEU 47 Cb 1.12 -0.16 -0.24 0.00 0.09 0.00 0.00 40.66 41.46 2wgo h LEU 47 CO 1.02 1.75 -0.40 -0.75 0.09 0.00 0.00 178.44 180.15 2wgo s LYS 48 N -2.58 0.49 -0.06 1.13 2.20 -1.13 -5.01 119.74 114.78 2wgo s LYS 48 Ca -0.17 0.59 -0.26 0.00 -0.36 0.00 0.00 55.97 55.77 2wgo s LYS 48 Cb 0.06 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 2wgo s LYS 48 CO 0.82 -0.84 0.82 0.99 -0.36 0.00 0.00 175.35 176.79 2wgo s THR 49 N 2.72 4.95 0.38 3.43 2.01 -1.26 -2.08 115.64 125.79 2wgo s THR 49 Ca 0.14 1.69 -0.10 0.00 0.31 0.00 0.00 61.69 63.73 2wgo s THR 49 Cb -0.13 -4.15 0.04 0.00 0.01 0.00 0.00 72.50 68.26 2wgo s THR 49 CO -0.23 0.18 0.67 -0.44 -0.69 0.00 0.00 174.62 174.10 2wgo s SER 50 N 0.94 0.42 0.27 3.53 0.01 -0.52 0.26 113.70 118.60 2wgo s SER 50 Ca 0.43 -1.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.30 2wgo s SER 50 Cb -0.19 0.79 0.03 0.00 0.21 0.00 0.00 66.02 66.86 2wgo s SER 50 CO 0.20 -1.55 0.48 -1.84 0.41 0.00 0.00 173.24 170.94 2wgo n GLU 51 N -0.55 0.69 0.00 12.44 0.28 -1.26 0.20 120.64 132.43 2wgo n GLU 51 Ca -0.05 -1.78 0.00 0.00 -0.16 0.00 0.00 57.16 55.17 2wgo n GLU 51 Cb 0.60 1.99 0.00 0.00 1.43 0.00 0.00 31.44 35.46 2wgo n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2wgo n ASP 52 N -1.54 0.00 0.00 -1.84 -0.08 0.46 -4.88 116.55 108.68 2wgo n ASP 52 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2wgo n ASP 52 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 -0.20 0.00 -0.45 -0.67 4.76 -1.26 -4.84 118.16 115.50 2wgo n LYS 53 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 2wgo n LYS 53 Cb 0.00 0.00 0.14 0.00 -1.84 0.00 0.00 35.03 33.33 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 -0.85 2.28 -3.77 1.97 1.74 -1.26 -4.86 116.66 111.92 2wgo n ARG 54 Ca 0.00 -1.35 -0.13 0.00 -0.77 0.00 0.00 57.85 55.59 2wgo n ARG 54 Cb 0.00 -1.72 -0.14 0.00 -1.02 0.00 0.00 32.46 29.58 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 -1.65 -0.13 0.06 -1.55 0.08 -1.26 -3.95 117.98 109.58 2wgo s PHE 55 Ca 0.24 0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.69 2wgo s PHE 55 Cb 0.19 -0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.53 2wgo s PHE 55 CO 0.06 -0.13 0.17 0.71 -0.10 0.00 0.00 175.22 175.93 2wgo s TYR 56 N 0.90 3.42 -0.33 0.36 2.02 0.25 -0.40 117.35 123.57 2wgo s TYR 56 Ca -0.07 0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 2wgo s TYR 56 Cb -0.09 -1.72 0.11 0.00 -0.40 0.00 0.00 41.96 39.86 2wgo s TYR 56 CO -0.04 0.57 0.14 0.71 -1.57 0.00 0.00 175.55 175.36 2wgo s TYR 57 N -1.46 1.32 -0.58 2.71 2.02 0.13 -0.82 117.35 120.67 2wgo s TYR 57 Ca 0.33 -1.63 -0.10 0.00 -0.37 0.00 0.00 57.07 55.30 2wgo s TYR 57 Cb -0.13 -1.46 0.15 0.00 -0.40 0.00 0.00 41.96 40.12 2wgo s TYR 57 CO 0.26 -0.85 0.47 0.08 -1.57 0.00 0.00 175.55 173.94 2wgo s VAL 58 N 1.49 4.58 -0.03 0.71 1.01 -0.16 -1.44 120.40 126.55 2wgo s VAL 58 Ca 0.12 -2.05 -0.30 0.00 0.00 0.00 0.00 61.98 59.75 2wgo s VAL 58 Cb -0.19 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2wgo s VAL 58 CO -0.21 -0.86 1.16 -0.55 0.00 0.00 0.00 175.10 174.64 2wgo s SER 59 N 2.44 7.10 0.05 3.32 0.15 -0.88 0.25 113.70 126.13 2wgo s SER 59 Ca 0.09 1.81 0.02 0.00 0.70 0.00 0.00 55.95 58.58 2wgo s SER 59 Cb -0.23 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.49 2wgo s SER 59 CO -0.02 -0.52 -0.08 0.68 1.20 0.00 0.00 173.24 174.49 2wgo s VAL 60 N 1.89 0.59 -0.24 4.45 -7.23 0.17 0.49 120.40 120.51 2wgo s VAL 60 Ca 0.55 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2wgo s VAL 60 Cb -0.25 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2wgo s VAL 60 CO 0.23 -0.41 0.20 -0.62 -0.31 0.00 0.00 175.10 174.19 2wgo s ASP 61 N -1.72 6.14 0.00 4.85 2.15 0.10 -1.36 116.67 126.84 2wgo s ASP 61 Ca -0.08 0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.05 2wgo s ASP 61 Cb -0.09 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 2wgo s ASP 61 CO 0.00 0.02 0.71 0.00 -0.17 0.00 0.00 175.17 175.72 2wgo n ALA 62 N 4.49 2.11 0.00 3.66 0.00 -0.02 -1.28 120.51 129.47 2wgo n ALA 62 Ca -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2wgo n ALA 62 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.23 -1.47 0.33 0.00 0.00 -1.16 -4.79 105.19 97.87 2wgo n GLY 63 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.77 0.00 1.61 3.58 -2.04 -3.17 116.42 117.17 2wgo h ASP 64 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2wgo h ASP 64 Cb 0.00 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.86 2wgo h ASP 64 CO 0.00 0.60 0.00 0.61 -2.88 0.00 0.00 179.24 177.57 2wgo n GLY 65 N -1.31 0.31 3.66 -0.78 0.00 -1.26 -5.02 105.19 100.78 2wgo n GLY 65 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.49 4.21 -0.14 1.61 8.01 -1.20 -4.78 118.70 125.93 2wgo s GLU 66 Ca 0.00 1.65 -0.04 0.00 0.01 0.00 0.00 54.97 56.59 2wgo s GLU 66 Cb 0.00 -3.77 0.07 0.00 -4.31 0.00 0.00 34.13 26.11 2wgo s GLU 66 CO 0.00 -0.73 0.21 0.21 0.01 0.00 0.00 175.26 174.96 2wgo s LYS 67 N 3.55 0.12 0.19 1.61 2.20 -1.26 -0.84 119.74 125.30 2wgo s LYS 67 Ca 0.55 0.52 0.07 0.00 -0.36 0.00 0.00 55.97 56.75 2wgo s LYS 67 Cb -0.22 -0.48 -0.05 0.00 -1.51 0.00 0.00 37.83 35.58 2wgo s LYS 67 CO 0.15 -0.41 -0.13 0.00 -0.36 0.00 0.00 175.35 174.60 2wgo s LYS 69 N -3.67 1.62 -0.76 0.00 2.20 -0.50 0.44 119.74 119.07 2wgo s LYS 69 Ca 0.21 -1.32 -0.26 0.00 -0.36 0.00 0.00 55.97 54.24 2wgo s LYS 69 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 2wgo s LYS 69 CO 0.05 -0.73 1.69 -0.06 -0.36 0.00 0.00 175.35 175.95 2wgo s PHE 70 N 1.22 1.95 -1.28 4.03 0.40 0.14 -3.50 117.98 120.94 2wgo s PHE 70 Ca -0.00 0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 56.51 2wgo s PHE 70 Cb -0.19 -4.28 0.10 0.00 0.51 0.00 0.00 43.02 39.16 2wgo s PHE 70 CO -0.09 -2.08 1.67 1.17 0.70 0.00 0.00 175.22 176.59 2wgo n LYS 71 N 9.12 3.25 -2.35 0.44 4.81 0.13 -0.99 118.16 132.57 2wgo n LYS 71 Ca 0.22 -3.43 -0.42 0.00 -0.87 0.00 0.00 58.31 53.82 2wgo n LYS 71 Cb 0.50 -3.35 -0.03 0.00 0.02 0.00 0.00 35.03 32.17 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 3.38 3.75 -2.00 3.15 1.01 0.00 0.61 121.20 131.10 2wgo s ILE 72 Ca 0.50 0.65 0.01 0.00 0.00 0.00 0.00 60.65 61.81 2wgo s ILE 72 Cb 0.02 -4.36 0.02 0.00 0.01 0.00 0.00 42.46 38.15 2wgo s ILE 72 CO 0.05 -1.10 0.75 -1.14 0.00 0.00 0.00 174.94 173.50 2wgo n ARG 73 N 8.65 0.72 -1.22 2.79 0.63 -1.26 0.87 116.66 127.84 2wgo n ARG 73 Ca 0.13 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.23 2wgo n ARG 73 Cb 0.49 -1.01 -0.05 0.00 0.45 0.00 0.00 32.46 32.34 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 -0.51 -2.50 -1.54 -0.14 5.02 -1.25 -4.05 118.16 113.19 2wgo n LYS 74 Ca 0.00 1.72 -0.40 0.00 -2.02 0.00 0.00 58.31 57.61 2wgo n LYS 74 Cb 0.00 -3.03 -0.02 0.00 -0.02 0.00 0.00 35.03 31.96 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 -3.81 6.66 -4.50 4.39 -0.08 -1.21 -4.41 116.55 113.59 2wgo n ASP 75 Ca -0.00 -2.72 -0.43 0.00 -1.51 0.00 0.00 54.79 50.13 2wgo n ASP 75 Cb 0.56 -1.59 -0.02 0.00 2.34 0.00 0.00 41.12 42.41 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2wgo s VAL 76 N 2.41 4.50 0.00 5.18 -7.23 -1.26 -4.53 120.40 119.47 2wgo s VAL 76 Ca 0.59 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 2wgo s VAL 76 Cb 0.16 -4.92 0.00 0.00 0.56 0.00 0.00 36.38 32.18 2wgo s VAL 76 CO -0.07 -1.70 0.00 0.47 -0.31 0.00 0.00 175.10 173.49 2wgo n ASP 77 N 7.21 0.00 -4.41 4.85 9.92 -1.26 -4.75 116.55 128.10 2wgo n ASP 77 Ca 0.31 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.25 2wgo n ASP 77 Cb 0.48 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.82 2wgo n ASP 77 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2wgo s VAL 78 N 0.00 2.94 0.02 2.53 0.11 -1.26 -5.05 120.40 119.69 2wgo s VAL 78 Ca 0.00 -0.74 -0.25 0.00 -2.93 0.00 0.00 61.98 58.06 2wgo s VAL 78 Cb 0.00 -2.17 -0.18 0.00 -1.53 0.00 0.00 36.38 32.50 2wgo s VAL 78 CO 0.00 0.56 1.44 1.55 -3.33 0.00 0.00 175.10 175.33 2wgo h PRO 79 N 5.95 -0.07 -6.21 1.54 0.13 -1.80 -3.35 132.00 128.19 2wgo h PRO 79 Ca -0.37 0.01 -0.71 0.00 -0.87 0.00 0.00 66.00 64.06 2wgo h PRO 79 Cb 1.18 0.02 0.05 0.00 0.13 0.00 0.00 31.00 32.37 2wgo h PRO 79 CO 0.52 0.21 0.43 1.63 -0.23 0.00 0.00 178.00 180.56 2wgo n LYS 80 N -4.99 0.94 -0.75 0.86 5.02 -1.26 -3.82 118.16 114.16 2wgo n LYS 80 Ca -0.08 0.34 -0.32 0.00 -2.02 0.00 0.00 58.31 56.23 2wgo n LYS 80 Cb 0.17 -1.96 0.16 0.00 -0.02 0.00 0.00 35.03 33.38 2wgo n LYS 80 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wgo n MET 81 N 2.63 -0.36 -0.07 1.97 0.00 -1.26 -4.75 117.12 115.28 2wgo n MET 81 Ca 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 57.70 57.81 2wgo n MET 81 Cb 0.16 -2.29 -0.13 0.00 0.00 0.00 0.00 33.22 30.96 2wgo n MET 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 2wgo n VAL 82 N -4.03 0.91 -5.18 3.17 3.14 -1.18 -4.81 118.33 110.35 2wgo n VAL 82 Ca 0.11 -0.64 -0.32 0.00 -2.96 0.00 0.00 64.34 60.53 2wgo n VAL 82 Cb 0.52 -0.43 -0.16 0.00 -1.06 0.00 0.00 33.84 32.72 2wgo n VAL 82 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2wgo s GLY 83 N -4.84 1.35 0.00 7.55 0.00 0.20 -4.69 107.32 106.89 2wgo s GLY 83 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2wgo s GLY 83 CO 0.69 -0.63 0.57 -0.96 0.00 0.00 0.00 173.10 172.77 2wgo n ARG 84 N 2.90 0.00 -2.22 2.90 0.00 0.13 -0.69 116.66 119.68 2wgo n ARG 84 Ca -0.17 -0.23 -0.43 0.00 -0.00 0.00 0.00 57.85 57.02 2wgo n ARG 84 Cb 0.52 -0.12 -0.02 0.00 -0.00 0.00 0.00 32.46 32.84 2wgo n ARG 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2wgo s LYS 85 N 0.00 4.05 -0.44 2.89 2.20 -0.63 -4.70 119.74 123.10 2wgo s LYS 85 Ca 0.00 1.74 -0.26 0.00 -0.36 0.00 0.00 55.97 57.09 2wgo s LYS 85 Cb 0.00 -3.92 0.02 0.00 -1.51 0.00 0.00 37.83 32.43 2wgo s LYS 85 CO 0.00 -0.97 0.94 0.00 -0.36 0.00 0.00 175.35 174.96 2wgo n ARG 87 N 7.14 3.69 -0.04 0.00 1.85 -0.01 -4.40 116.66 124.88 2wgo n ARG 87 Ca 0.07 -3.19 -0.09 0.00 -1.00 0.00 0.00 57.85 53.64 2wgo n ARG 87 Cb 0.48 -2.92 -0.14 0.00 -1.05 0.00 0.00 32.46 28.83 2wgo n ARG 87 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2wgo n LYS 88 N 3.80 0.65 -0.05 2.89 5.02 -1.24 -4.38 118.16 124.85 2wgo n LYS 88 Ca 0.51 0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 57.02 2wgo n LYS 88 Cb 0.33 -1.73 -0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2wgo n LYS 88 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2wgo h ASP 89 N 0.00 0.00 -1.41 4.39 3.32 -1.94 -3.50 116.42 117.29 2wgo h ASP 89 Ca -0.34 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.77 2wgo h ASP 89 Cb 2.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.60 2wgo h ASP 89 CO 0.07 0.47 0.24 -0.67 -1.72 0.00 0.00 179.24 177.62 2wgo n ASP 90 N -4.37 -0.73 -4.54 6.45 -0.08 -1.26 -5.19 116.55 106.82 2wgo n ASP 90 Ca -0.01 -1.39 -0.25 0.00 -1.51 0.00 0.00 54.79 51.63 2wgo n ASP 90 Cb 0.04 1.18 -0.11 0.00 2.34 0.00 0.00 41.12 44.57 2wgo n ASP 90 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2wgo s ASP 91 N -2.00 3.29 0.00 1.67 2.15 -1.26 -4.43 116.67 116.09 2wgo s ASP 91 Ca 0.09 -1.34 0.00 0.00 0.43 0.00 0.00 52.55 51.73 2wgo s ASP 91 Cb -0.01 -0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.33 2wgo s ASP 91 CO 0.02 -0.47 0.00 -0.67 -0.17 0.00 0.00 175.17 173.88 2wgo n ASP 92 N -0.83 0.00 0.00 -0.34 2.03 -1.26 -5.09 116.55 111.05 2wgo n ASP 92 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2wgo n ASP 92 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 2wgo n ASP 92 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wgo n ASP 93 N -1.18 0.00 -3.68 1.67 -0.08 -1.26 -5.14 116.55 106.87 2wgo n ASP 93 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 2wgo n ASP 93 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 2wgo n ASP 93 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2wgo s ASP 94 N 0.00 -0.29 -0.03 1.67 2.15 -1.26 -5.03 116.67 113.87 2wgo s ASP 94 Ca 0.00 -0.40 -0.00 0.00 0.43 0.00 0.00 52.55 52.58 2wgo s ASP 94 Cb 0.00 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 2wgo s ASP 94 CO 0.00 -1.02 0.04 0.61 -0.17 0.00 0.00 175.17 174.63 2wgo n GLY 95 N -0.33 -0.54 0.60 2.66 0.00 -1.26 -5.24 105.19 101.08 2wgo n GLY 95 Ca -0.12 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.94 2wgo n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60