#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 6.31 -0.35 1.61 0.15 0.16 -4.68 113.70 116.89 2wgo s SER 0 Ca 0.00 -1.26 0.08 0.00 0.70 0.00 0.00 55.95 55.47 2wgo s SER 0 Cb 0.00 -2.43 0.70 0.00 -1.71 0.00 0.00 66.02 62.58 2wgo s SER 0 CO 0.00 -1.37 1.81 0.18 1.20 0.00 0.00 173.24 175.05 2wgo n LEU 1 N 7.59 6.08 0.11 3.45 4.77 -1.26 -4.13 117.00 133.60 2wgo n LEU 1 Ca 0.06 -3.37 -0.02 0.00 -0.03 0.00 0.00 56.01 52.66 2wgo n LEU 1 Cb 0.47 -0.76 0.23 0.00 -2.33 0.00 0.00 43.42 41.03 2wgo n LEU 1 CO 0.61 0.91 0.63 0.40 -1.33 0.00 0.00 177.39 178.60 2wgo h ILE 2 N 2.05 1.32 -3.17 -0.08 5.03 -1.92 -3.46 117.51 117.29 2wgo h ILE 2 Ca 0.36 -1.58 -0.53 0.00 -0.12 0.00 0.00 64.86 62.99 2wgo h ILE 2 Cb 2.42 1.75 -0.13 0.00 -3.03 0.00 0.00 36.82 37.83 2wgo h ILE 2 CO 0.81 0.47 -0.51 -0.76 -0.68 0.00 0.00 178.15 177.47 2wgo s LEU 3 N -8.16 1.92 -0.58 1.44 1.43 -1.26 -4.81 118.68 108.65 2wgo s LEU 3 Ca -0.04 -1.68 0.06 0.00 -1.03 0.00 0.00 54.13 51.44 2wgo s LEU 3 Cb 0.13 0.05 0.22 0.00 0.03 0.00 0.00 46.19 46.63 2wgo s LEU 3 CO 0.77 -0.96 0.60 0.47 0.23 0.00 0.00 176.35 177.46 2wgo n ASP 4 N -1.33 2.42 -0.77 2.29 8.00 -1.24 -4.60 116.55 121.32 2wgo n ASP 4 Ca -0.03 -3.13 -0.04 0.00 0.71 0.00 0.00 54.79 52.31 2wgo n ASP 4 Cb 0.64 -0.67 0.01 0.00 -0.02 0.00 0.00 41.12 41.08 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 1.41 0.54 2.09 0.44 0.00 -0.77 -4.62 105.19 104.28 2wgo n GLY 5 Ca 0.26 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 0.99 -2.27 -3.38 1.61 2.03 0.91 -4.76 116.55 111.68 2wgo n ASP 6 Ca -0.01 0.72 -0.26 0.00 0.52 0.00 0.00 54.79 55.76 2wgo n ASP 6 Cb 0.52 -3.27 -0.08 0.00 -0.72 0.00 0.00 41.12 37.57 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 0.75 2.47 0.32 -2.67 4.77 -1.26 -4.98 117.00 116.40 2wgo n LEU 7 Ca -0.16 -5.16 -0.13 0.00 -0.03 0.00 0.00 56.01 50.53 2wgo n LEU 7 Cb 0.25 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2wgo n LEU 7 CO 0.22 2.04 0.42 -0.07 -1.33 0.00 0.00 177.39 178.67 2wgo h LEU 8 N 4.24 -0.71 0.00 2.23 3.38 -1.99 -3.45 115.31 119.01 2wgo h LEU 8 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wgo h LEU 8 Cb 0.74 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2wgo h LEU 8 CO 0.70 -0.43 0.00 0.29 0.09 0.00 0.00 178.44 179.09 2wgo n LYS 9 N -4.72 0.00 -3.22 1.13 5.02 -1.26 -3.39 118.16 111.72 2wgo n LYS 9 Ca -0.10 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.73 2wgo n LYS 9 Cb 0.33 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.32 2wgo n LYS 9 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wgo s ASP 10 N -4.00 6.79 0.33 4.39 1.01 -1.26 -5.02 116.67 118.91 2wgo s ASP 10 Ca 0.00 -2.62 0.07 0.00 0.71 0.00 0.00 52.55 50.71 2wgo s ASP 10 Cb 0.00 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 2wgo s ASP 10 CO 0.00 -0.67 0.34 -1.59 0.21 0.00 0.00 175.17 173.46 2wgo s LYS 11 N 0.71 2.84 -0.26 8.23 -2.85 -1.22 -4.85 119.74 122.34 2wgo s LYS 11 Ca 0.24 -1.21 -0.05 0.00 -1.00 0.00 0.00 55.97 53.95 2wgo s LYS 11 Cb -0.08 -2.58 0.02 0.00 -2.06 0.00 0.00 37.83 33.13 2wgo s LYS 11 CO -0.09 0.09 0.10 -0.11 0.10 0.00 0.00 175.35 175.43 2wgo n LEU 12 N -1.45 -7.36 0.00 2.77 0.00 -1.26 -5.06 117.00 104.64 2wgo n LEU 12 Ca -0.01 1.78 0.00 0.00 0.00 0.00 0.00 56.01 57.77 2wgo n LEU 12 Cb 0.59 -3.34 0.00 0.00 0.00 0.00 0.00 43.42 40.67 2wgo n LEU 12 CO 0.42 -3.56 0.00 0.29 0.00 0.00 0.00 177.39 174.54 2wgo n LYS 13 N 1.09 3.28 -1.56 1.96 5.02 -1.26 -5.04 118.16 121.65 2wgo n LYS 13 Ca -0.16 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.74 2wgo n LYS 13 Cb 0.25 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.30 2wgo n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wgo n LEU 14 N 0.00 2.45 -4.64 -0.35 4.77 -1.26 -4.89 117.00 113.09 2wgo n LEU 14 Ca 0.00 0.83 -0.46 0.00 -0.03 0.00 0.00 56.01 56.34 2wgo n LEU 14 Cb 0.00 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 39.76 2wgo n LEU 14 CO 0.00 -2.21 0.90 -2.65 -1.33 0.00 0.00 177.39 172.10 2wgo n PRO 15 N -0.46 1.73 -3.11 3.23 -0.02 -1.26 -3.78 135.00 131.33 2wgo n PRO 15 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2wgo n PRO 15 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.71 -1.44 -1.56 -1.45 3.14 -1.26 -4.93 118.33 112.53 2wgo n VAL 16 Ca 0.13 0.22 -0.33 0.00 -2.96 0.00 0.00 64.34 61.40 2wgo n VAL 16 Cb 0.29 -2.71 0.07 0.00 -1.06 0.00 0.00 33.84 30.43 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 -0.45 3.11 0.25 1.55 1.01 0.24 -4.84 121.20 122.08 2wgo s ILE 17 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 2wgo s ILE 17 Cb 0.00 -2.97 -0.14 0.00 0.01 0.00 0.00 42.46 39.35 2wgo s ILE 17 CO 0.00 -0.36 1.07 -0.67 0.00 0.00 0.00 174.94 174.98 2wgo n ASP 18 N -2.79 1.37 0.26 3.58 -0.08 -1.26 -3.58 116.55 114.05 2wgo n ASP 18 Ca 0.10 1.17 0.16 0.00 -1.51 0.00 0.00 54.79 54.71 2wgo n ASP 18 Cb 0.52 -1.27 0.62 0.00 2.34 0.00 0.00 41.12 43.32 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2wgo h ASN 19 N 2.48 0.00 -0.01 1.67 -1.07 -1.91 -0.33 115.58 116.40 2wgo h ASN 19 Ca -0.41 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 55.85 2wgo h ASN 19 Cb 1.34 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.60 2wgo h ASN 19 CO 0.64 0.00 -0.43 0.25 0.07 0.00 0.00 177.43 177.96 2wgo h LEU 20 N 0.00 0.40 -0.97 6.14 5.85 -1.98 0.03 115.31 124.79 2wgo h LEU 20 Ca 0.00 -0.75 0.03 0.00 0.84 0.00 0.00 57.88 58.01 2wgo h LEU 20 Cb 0.55 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 2wgo h LEU 20 CO 0.00 1.10 0.63 0.15 -0.34 0.00 0.00 178.44 179.98 2wgo h PHE 21 N -0.25 1.18 -0.19 1.25 3.04 -1.80 0.17 116.94 120.34 2wgo h PHE 21 Ca -0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2wgo h PHE 21 Cb 1.15 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 2wgo h PHE 21 CO 0.15 0.69 0.08 0.78 -2.02 0.00 0.00 178.31 177.99 2wgo h GLY 22 N 1.23 0.31 0.63 2.40 0.00 -1.11 -2.55 103.07 103.99 2wgo h GLY 22 Ca 0.38 -0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.65 2wgo h GLY 22 CO -0.12 0.16 0.59 1.70 0.00 0.00 0.00 176.54 178.87 2wgo h LYS 23 N 0.16 0.88 -0.31 4.80 1.63 0.17 0.02 116.57 123.92 2wgo h LYS 23 Ca 0.06 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2wgo h LYS 23 Cb 0.16 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 2wgo h LYS 23 CO -0.01 0.58 0.14 0.93 -3.45 0.00 0.00 179.45 177.65 2wgo h GLU 24 N 0.90 0.30 0.58 1.90 4.39 -0.52 0.34 114.58 122.47 2wgo h GLU 24 Ca 0.44 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 2wgo h GLU 24 Cb 0.46 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2wgo h GLU 24 CO -0.20 0.20 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.34 2wgo h LEU 25 N 0.31 -1.14 -1.54 1.33 3.38 -0.65 -2.60 115.31 114.41 2wgo h LEU 25 Ca 0.13 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.22 2wgo h LEU 25 Cb 0.06 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2wgo h LEU 25 CO -0.10 -0.63 0.35 -0.07 0.09 0.00 0.00 178.44 178.08 2wgo h LEU 26 N -0.99 0.52 -1.48 1.67 4.07 -0.94 0.64 115.31 118.80 2wgo h LEU 26 Ca -0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 2wgo h LEU 26 Cb 0.83 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 2wgo h LEU 26 CO 0.02 0.36 0.16 -0.78 -1.08 0.00 0.00 178.44 177.12 2wgo h ASP 27 N 0.60 0.46 0.82 -0.43 3.58 -0.17 0.54 116.42 121.82 2wgo h ASP 27 Ca 0.22 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.54 2wgo h ASP 27 Cb 0.12 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2wgo h ASP 27 CO -0.06 0.40 -0.44 0.11 -2.88 0.00 0.00 179.24 176.38 2wgo h LYS 28 N 0.51 0.00 -0.19 0.28 1.57 -0.48 -3.06 116.57 115.20 2wgo h LYS 28 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wgo h LYS 28 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2wgo h LYS 28 CO -0.02 0.44 0.00 1.19 -0.57 0.00 0.00 179.45 180.49 2wgo n PHE 29 N -3.58 0.24 -0.12 -1.35 3.01 -0.63 -1.75 117.46 113.27 2wgo n PHE 29 Ca -0.00 -0.16 -0.05 0.00 1.01 0.00 0.00 57.45 58.25 2wgo n PHE 29 Cb 0.54 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.03 2wgo n PHE 29 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2wgo h GLN 30 N 3.39 -0.02 -0.84 -1.08 -0.00 0.16 0.51 115.11 117.23 2wgo h GLN 30 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 2wgo h GLN 30 Cb 0.78 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 28.21 2wgo h GLN 30 CO 0.00 -0.02 0.52 0.22 0.00 0.00 0.00 178.83 179.56 2wgo h ASP 31 N -0.02 0.83 -0.22 -0.69 1.82 -1.82 0.20 116.42 116.52 2wgo h ASP 31 Ca 0.20 0.01 -0.20 0.00 -0.39 0.00 0.00 57.03 56.65 2wgo h ASP 31 Cb 0.33 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2wgo h ASP 31 CO -0.44 0.55 -0.64 0.44 -1.61 0.00 0.00 179.24 177.54 2wgo h ASP 32 N 0.97 0.95 0.90 2.28 5.19 -1.50 0.16 116.42 125.38 2wgo h ASP 32 Ca 0.36 -0.55 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 2wgo h ASP 32 Cb 0.12 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 2wgo h ASP 32 CO -0.15 1.35 -0.04 0.40 -3.12 0.00 0.00 179.24 177.68 2wgo h ILE 33 N 0.61 0.11 0.04 0.35 2.04 0.51 0.46 117.51 121.64 2wgo h ILE 33 Ca -0.01 -0.56 -0.31 0.00 1.00 0.00 0.00 64.86 64.97 2wgo h ILE 33 Cb 1.25 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 2wgo h ILE 33 CO 0.14 0.04 -1.77 0.50 0.00 0.00 0.00 178.15 177.05 2wgo h LYS 34 N 0.00 0.09 -0.27 2.37 3.64 -0.37 -0.44 116.57 121.59 2wgo h LYS 34 Ca -0.00 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 2wgo h LYS 34 Cb 0.50 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2wgo h LYS 34 CO 0.00 0.74 -0.07 0.22 -2.27 0.00 0.00 179.45 178.07 2wgo h ASP 35 N 0.02 0.52 1.05 4.20 1.82 -0.23 -0.30 116.42 123.51 2wgo h ASP 35 Ca -0.32 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 55.95 2wgo h ASP 35 Cb 2.02 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.88 2wgo h ASP 35 CO 0.09 0.77 -0.48 0.11 -1.61 0.00 0.00 179.24 178.11 2wgo h LYS 36 N 0.27 0.00 0.00 0.28 1.57 -0.21 -3.42 116.57 115.06 2wgo h LYS 36 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wgo h LYS 36 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2wgo h LYS 36 CO 0.03 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 2wgo n TYR 37 N -2.22 -2.07 0.00 -1.35 4.01 -0.68 -5.04 117.16 109.82 2wgo n TYR 37 Ca 0.04 0.37 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 2wgo n TYR 37 Cb 0.45 0.60 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 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 1.47 1.21 3.68 2.72 0.00 -0.12 -4.93 105.19 109.23 2wgo n GLY 38 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.66 4.09 -2.10 1.61 1.01 -1.10 -4.86 120.40 117.39 2wgo s VAL 39 Ca 0.00 -0.73 0.21 0.00 0.00 0.00 0.00 61.98 61.46 2wgo s VAL 39 Cb 0.00 -2.86 0.56 0.00 0.00 0.00 0.00 36.38 34.08 2wgo s VAL 39 CO 0.00 0.29 1.48 -0.67 0.00 0.00 0.00 175.10 176.20 2wgo n ASP 40 N 1.13 3.51 0.00 3.32 4.64 -1.26 -3.46 116.55 124.43 2wgo n ASP 40 Ca -0.13 -1.99 0.00 0.00 -1.38 0.00 0.00 54.79 51.29 2wgo n ASP 40 Cb 0.52 -0.40 0.00 0.00 -1.04 0.00 0.00 41.12 40.20 2wgo n ASP 40 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2wgo n THR 41 N 1.44 0.00 0.24 5.18 -2.24 -1.26 -4.51 114.28 113.12 2wgo n THR 41 Ca 0.22 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.07 2wgo n THR 41 Cb 0.57 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 69.36 2wgo n THR 41 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2wgo h LYS 42 N 0.00 0.00 0.00 -0.78 2.10 -1.96 -0.69 116.57 115.24 2wgo h LYS 42 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2wgo h LYS 42 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2wgo h LYS 42 CO 0.00 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 2wgo n ASP 43 N -4.29 0.76 -4.68 7.07 8.00 -1.26 -4.73 116.55 117.42 2wgo n ASP 43 Ca -0.03 0.62 -0.42 0.00 0.71 0.00 0.00 54.79 55.68 2wgo n ASP 43 Cb 0.21 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 2wgo n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wgo s LEU 44 N -4.54 4.23 -0.70 0.64 1.43 -0.27 -4.85 118.68 114.63 2wgo s LEU 44 Ca 0.07 1.40 -0.26 0.00 -1.03 0.00 0.00 54.13 54.31 2wgo s LEU 44 Cb 0.11 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.93 2wgo s LEU 44 CO 0.50 -0.42 1.21 -0.75 0.23 0.00 0.00 176.35 177.11 2wgo s LYS 45 N 2.02 3.23 -0.25 1.70 2.20 -1.03 -4.90 119.74 122.72 2wgo s LYS 45 Ca 0.45 -0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2wgo s LYS 45 Cb -0.18 -4.16 -0.02 0.00 -1.51 0.00 0.00 37.83 31.97 2wgo s LYS 45 CO 0.16 -2.00 1.62 0.42 -0.36 0.00 0.00 175.35 175.19 2wgo s ILE 46 N 5.29 3.69 -0.04 5.43 1.01 -1.26 -0.37 121.20 134.95 2wgo s ILE 46 Ca 0.34 0.76 -0.12 0.00 0.00 0.00 0.00 60.65 61.64 2wgo s ILE 46 Cb -0.09 -3.75 -0.31 0.00 0.01 0.00 0.00 42.46 38.32 2wgo s ILE 46 CO 0.16 -0.35 0.69 -0.07 0.00 0.00 0.00 174.94 175.37 2wgo h LEU 47 N 12.02 0.64 -6.00 2.97 3.38 0.19 -3.46 115.31 125.04 2wgo h LEU 47 Ca -0.33 -0.94 0.06 0.00 0.09 0.00 0.00 57.88 56.76 2wgo h LEU 47 Cb 1.15 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.48 2wgo h LEU 47 CO 1.01 1.79 -0.33 -0.75 0.09 0.00 0.00 178.44 180.25 2wgo s LYS 48 N -2.58 0.55 -0.14 1.13 2.20 -0.99 -4.98 119.74 114.94 2wgo s LYS 48 Ca -0.16 0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 2wgo s LYS 48 Cb 0.05 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.71 2wgo s LYS 48 CO 0.86 -0.88 1.18 0.99 -0.36 0.00 0.00 175.35 177.14 2wgo s THR 49 N 2.84 4.39 0.09 3.43 2.01 -1.23 -0.28 115.64 126.89 2wgo s THR 49 Ca 0.14 1.69 -0.03 0.00 0.31 0.00 0.00 61.69 63.80 2wgo s THR 49 Cb -0.12 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2wgo s THR 49 CO -0.24 -0.09 0.17 -1.20 -0.69 0.00 0.00 174.62 172.57 2wgo n SER 50 N 5.97 -0.48 -3.18 3.53 7.64 -0.77 0.81 113.62 127.14 2wgo n SER 50 Ca 0.12 -1.39 -0.14 0.00 1.01 0.00 0.00 58.87 58.47 2wgo n SER 50 Cb 0.46 0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 64.45 2wgo n SER 50 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2wgo s GLU 51 N -2.06 1.97 0.00 1.43 -1.05 -1.26 0.23 118.70 117.95 2wgo s GLU 51 Ca 0.04 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.13 2wgo s GLU 51 Cb -0.01 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2wgo s GLU 51 CO 0.03 -0.83 0.00 -3.47 0.95 0.00 0.00 175.26 171.94 2wgo n ASP 52 N -1.45 0.00 -3.58 0.83 -0.08 -0.49 -4.83 116.55 106.96 2wgo n ASP 52 Ca -0.00 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.02 2wgo n ASP 52 Cb 0.61 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.91 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 0.00 0.11 0.00 -0.67 1.02 -1.26 -4.74 119.74 114.20 2wgo s LYS 53 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 55.84 2wgo s LYS 53 Cb 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 2wgo s LYS 53 CO 0.00 -0.75 0.00 -2.13 -0.92 0.00 0.00 175.35 171.55 2wgo n ARG 54 N 5.28 0.00 -4.05 1.68 0.63 -1.26 -4.93 116.66 114.00 2wgo n ARG 54 Ca -0.07 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.52 2wgo n ARG 54 Cb 0.48 -1.33 -0.13 0.00 0.45 0.00 0.00 32.46 31.93 2wgo n ARG 54 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2wgo s PHE 55 N -1.26 3.01 0.42 -0.14 0.08 -1.26 -3.37 117.98 115.46 2wgo s PHE 55 Ca 0.00 -0.58 -0.22 0.00 0.12 0.00 0.00 56.93 56.25 2wgo s PHE 55 Cb 0.00 -2.09 -0.10 0.00 -0.57 0.00 0.00 43.02 40.26 2wgo s PHE 55 CO 0.00 -0.32 0.98 0.71 -0.10 0.00 0.00 175.22 176.50 2wgo s TYR 56 N 1.12 3.29 -0.36 0.36 4.12 0.06 -1.40 117.35 124.55 2wgo s TYR 56 Ca 0.02 1.64 -0.00 0.00 0.02 0.00 0.00 57.07 58.75 2wgo s TYR 56 Cb -0.14 -2.95 0.12 0.00 -1.52 0.00 0.00 41.96 37.46 2wgo s TYR 56 CO 0.01 -0.30 0.17 0.71 0.02 0.00 0.00 175.55 176.16 2wgo s TYR 57 N -1.97 1.39 -0.78 2.71 2.02 0.14 -1.12 117.35 119.74 2wgo s TYR 57 Ca 0.61 -1.81 -0.21 0.00 -0.37 0.00 0.00 57.07 55.29 2wgo s TYR 57 Cb -0.14 -1.48 0.10 0.00 -0.40 0.00 0.00 41.96 40.04 2wgo s TYR 57 CO 0.18 -0.83 1.03 0.08 -1.57 0.00 0.00 175.55 174.44 2wgo s VAL 58 N 1.17 4.53 0.18 0.71 1.01 0.38 -1.84 120.40 126.54 2wgo s VAL 58 Ca 0.14 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 2wgo s VAL 58 Cb -0.21 -4.72 -0.12 0.00 0.00 0.00 0.00 36.38 31.34 2wgo s VAL 58 CO -0.13 -1.47 1.76 -0.44 0.00 0.00 0.00 175.10 174.83 2wgo s SER 59 N 3.69 6.38 0.03 3.32 0.01 0.62 -0.27 113.70 127.48 2wgo s SER 59 Ca 0.26 2.85 -0.11 0.00 1.31 0.00 0.00 55.95 60.26 2wgo s SER 59 Cb -0.12 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.53 2wgo s SER 59 CO 0.01 -0.99 0.23 0.68 0.41 0.00 0.00 173.24 173.58 2wgo s VAL 60 N 1.66 0.09 -0.18 3.43 -7.23 0.43 0.90 120.40 119.50 2wgo s VAL 60 Ca 0.77 -0.76 -0.08 0.00 -1.81 0.00 0.00 61.98 60.09 2wgo s VAL 60 Cb -0.49 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2wgo s VAL 60 CO 0.33 -0.42 0.10 -0.62 -0.31 0.00 0.00 175.10 174.18 2wgo s ASP 61 N -1.88 5.93 0.00 4.85 3.68 0.50 -1.47 116.67 128.29 2wgo s ASP 61 Ca -0.08 0.17 0.21 0.00 2.13 0.00 0.00 52.55 54.98 2wgo s ASP 61 Cb -0.02 -2.02 0.62 0.00 -1.45 0.00 0.00 42.92 40.05 2wgo s ASP 61 CO -0.02 0.19 1.48 0.00 0.13 0.00 0.00 175.17 176.96 2wgo n ALA 62 N 3.41 2.49 0.00 3.66 0.00 -0.84 -2.45 120.51 126.77 2wgo n ALA 62 Ca -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2wgo n ALA 62 Cb 0.52 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.23 3.14 1.56 0.00 0.00 -1.26 -4.81 105.19 105.04 2wgo n GLY 63 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 5.06 0.00 1.61 2.03 -1.26 -4.88 116.55 119.11 2wgo n ASP 64 Ca 0.00 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.45 2wgo n ASP 64 Cb 0.00 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgo n GLY 65 N 0.40 3.03 3.78 0.27 0.00 -1.26 -5.01 105.19 106.41 2wgo n GLY 65 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 2wgo n GLY 65 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wgo s GLU 66 N -0.23 3.41 0.14 1.61 -1.05 -1.26 -4.93 118.70 116.39 2wgo s GLU 66 Ca 0.00 1.53 0.10 0.00 -0.15 0.00 0.00 54.97 56.45 2wgo s GLU 66 Cb 0.00 -2.02 -0.04 0.00 -0.44 0.00 0.00 34.13 31.63 2wgo s GLU 66 CO 0.00 -0.79 -0.23 0.15 0.95 0.00 0.00 175.26 175.34 2wgo s LYS 67 N -3.35 1.32 0.24 -4.83 -0.14 -1.26 -1.99 119.74 109.72 2wgo s LYS 67 Ca 0.71 -1.33 -0.07 0.00 -1.36 0.00 0.00 55.97 53.92 2wgo s LYS 67 Cb -0.22 -1.65 -0.02 0.00 -1.68 0.00 0.00 37.83 34.26 2wgo s LYS 67 CO 0.27 0.38 0.34 0.00 -0.76 0.00 0.00 175.35 175.57 2wgo s LYS 69 N -3.99 0.80 -0.27 0.00 2.20 -0.53 -0.43 119.74 117.52 2wgo s LYS 69 Ca 0.30 -0.44 -0.33 0.00 -0.36 0.00 0.00 55.97 55.14 2wgo s LYS 69 Cb 0.02 -0.08 -0.10 0.00 -1.51 0.00 0.00 37.83 36.16 2wgo s LYS 69 CO 0.11 -1.20 2.13 1.19 -0.36 0.00 0.00 175.35 177.22 2wgo n PHE 70 N 4.29 1.84 -2.77 4.03 3.72 0.63 -0.24 117.46 128.96 2wgo n PHE 70 Ca 0.12 0.13 -0.43 0.00 -0.05 0.00 0.00 57.45 57.22 2wgo n PHE 70 Cb 0.55 -2.60 -0.00 0.00 -0.94 0.00 0.00 39.48 36.48 2wgo n PHE 70 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2wgo s LYS 71 N 5.78 4.02 -0.63 -1.08 2.20 0.06 -0.47 119.74 129.61 2wgo s LYS 71 Ca 1.04 -2.25 -0.27 0.00 -0.36 0.00 0.00 55.97 54.13 2wgo s LYS 71 Cb -0.71 -5.29 0.02 0.00 -1.51 0.00 0.00 37.83 30.34 2wgo s LYS 71 CO 0.47 -2.01 1.39 0.42 -0.36 0.00 0.00 175.35 175.26 2wgo s ILE 72 N 2.93 3.74 -0.32 5.43 1.01 -0.27 -1.27 121.20 132.44 2wgo s ILE 72 Ca 0.48 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 2wgo s ILE 72 Cb 0.00 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 37.88 2wgo s ILE 72 CO 0.03 -1.40 1.56 -0.60 0.00 0.00 0.00 174.94 174.53 2wgo s ARG 73 N 5.70 3.61 0.93 2.79 3.52 -1.26 -0.76 118.95 133.49 2wgo s ARG 73 Ca 0.47 1.32 -0.11 0.00 -0.13 0.00 0.00 55.73 57.27 2wgo s ARG 73 Cb -0.10 -4.06 0.11 0.00 -1.56 0.00 0.00 34.95 29.34 2wgo s ARG 73 CO 0.21 -1.52 0.87 1.63 -0.81 0.00 0.00 175.30 175.68 2wgo n LYS 74 N 7.97 -0.43 -1.36 5.12 5.02 -1.22 -4.05 118.16 129.21 2wgo n LYS 74 Ca 0.19 -0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 56.05 2wgo n LYS 74 Cb 0.47 -2.18 -0.08 0.00 -0.02 0.00 0.00 35.03 33.22 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 -3.17 2.30 -0.51 4.39 -0.08 -1.26 -4.43 116.55 113.78 2wgo n ASP 75 Ca 0.10 -2.63 0.11 0.00 -1.51 0.00 0.00 54.79 50.86 2wgo n ASP 75 Cb 0.53 -1.26 0.06 0.00 2.34 0.00 0.00 41.12 42.78 2wgo n ASP 75 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2wgo n VAL 76 N 7.05 0.00 0.00 5.18 0.24 -1.26 -0.06 118.33 129.48 2wgo n VAL 76 Ca 0.47 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 2wgo n VAL 76 Cb 0.43 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 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 0.04 0.00 -4.83 -1.34 -0.08 -1.26 -3.97 116.55 105.12 2wgo n ASP 77 Ca 0.10 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.01 2wgo n ASP 77 Cb 0.47 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.86 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 0.00 5.30 -0.12 5.18 0.11 -1.26 -4.96 120.40 124.64 2wgo s VAL 78 Ca 0.00 0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 59.53 2wgo s VAL 78 Cb 0.00 -3.56 0.02 0.00 -1.53 0.00 0.00 36.38 31.31 2wgo s VAL 78 CO 0.00 0.55 2.31 -0.81 -3.33 0.00 0.00 175.10 173.82 2wgo n PRO 79 N 2.30 1.48 -4.02 1.54 -0.04 -1.26 -4.23 135.00 130.77 2wgo n PRO 79 Ca -0.16 -0.75 -0.14 0.00 -0.04 0.00 0.00 63.50 62.41 2wgo n PRO 79 Cb 0.53 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.47 0.24 0.04 0.54 2.20 -1.26 0.36 119.74 121.38 2wgo s LYS 80 Ca 0.23 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.40 2wgo s LYS 80 Cb 0.14 -0.21 -0.08 0.00 -1.51 0.00 0.00 37.83 36.18 2wgo s LYS 80 CO -0.02 0.06 1.67 1.41 -0.36 0.00 0.00 175.35 178.11 2wgo s MET 81 N -0.15 4.19 0.05 4.03 -2.45 -1.26 -4.11 119.30 119.61 2wgo s MET 81 Ca 0.00 2.31 -0.12 0.00 -1.25 0.00 0.00 55.69 56.63 2wgo s MET 81 Cb -0.02 -3.72 -0.32 0.00 1.25 0.00 0.00 34.83 32.03 2wgo s MET 81 CO -0.00 -0.77 1.06 -0.24 1.05 0.00 0.00 175.02 176.13 2wgo h VAL 82 N 5.03 1.34 -4.48 10.11 3.04 -1.78 -3.44 116.25 126.07 2wgo h VAL 82 Ca -0.42 -2.74 -0.37 0.00 -1.01 0.00 0.00 66.70 62.15 2wgo h VAL 82 Cb 1.20 2.94 -0.10 0.00 -2.01 0.00 0.00 31.29 33.32 2wgo h VAL 82 CO 0.93 0.82 -0.32 -0.83 -1.01 0.00 0.00 177.57 177.17 2wgo s GLY 83 N -4.58 1.91 -0.36 3.17 0.00 -0.40 -4.76 107.32 102.31 2wgo s GLY 83 Ca -0.08 -1.79 0.05 0.00 0.00 0.00 0.00 44.72 42.90 2wgo s GLY 83 CO 0.93 -1.22 0.48 0.50 0.00 0.00 0.00 173.10 173.79 2wgo s ARG 84 N -3.15 0.63 -1.12 2.90 0.52 -1.26 -0.77 118.95 116.70 2wgo s ARG 84 Ca 0.35 -0.31 -0.08 0.00 -0.52 0.00 0.00 55.73 55.17 2wgo s ARG 84 Cb 0.01 -0.29 -0.06 0.00 0.52 0.00 0.00 34.95 35.13 2wgo s ARG 84 CO 0.24 -1.14 2.34 1.17 0.02 0.00 0.00 175.30 177.93 2wgo n LYS 85 N 4.68 2.53 -3.61 3.54 3.00 0.67 -4.70 118.16 124.27 2wgo n LYS 85 Ca 0.08 -1.72 -0.40 0.00 -0.00 0.00 0.00 58.31 56.27 2wgo n LYS 85 Cb 0.51 -2.60 -0.11 0.00 0.00 0.00 0.00 35.03 32.83 2wgo n LYS 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wgo n ARG 87 N 4.99 3.11 0.01 0.00 5.12 -1.24 -3.82 116.66 124.83 2wgo n ARG 87 Ca -0.12 -2.71 0.11 0.00 -1.93 0.00 0.00 57.85 53.20 2wgo n ARG 87 Cb 0.46 -1.76 0.48 0.00 -1.16 0.00 0.00 32.46 30.48 2wgo n ARG 87 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wgo n LYS 88 N -0.13 0.01 0.00 5.56 4.76 -1.26 -4.72 118.16 122.38 2wgo n LYS 88 Ca 0.20 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2wgo n LYS 88 Cb 0.82 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 2wgo n LYS 88 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2wgo n ASP 89 N -1.54 0.00 -4.72 4.39 2.03 -1.25 -5.07 116.55 110.38 2wgo n ASP 89 Ca 0.05 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.97 2wgo n ASP 89 Cb 0.27 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.69 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wgo n ASP 90 N 0.00 2.69 -0.27 1.67 -0.08 -1.26 -4.94 116.55 114.35 2wgo n ASP 90 Ca 0.00 1.06 0.09 0.00 -1.51 0.00 0.00 54.79 54.42 2wgo n ASP 90 Cb 0.00 -1.54 0.17 0.00 2.34 0.00 0.00 41.12 42.08 2wgo n ASP 90 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2wgo n ASP 91 N -0.30 2.39 -4.00 1.67 4.64 -1.26 -4.61 116.55 115.09 2wgo n ASP 91 Ca 0.08 -3.24 -0.27 0.00 -1.38 0.00 0.00 54.79 49.98 2wgo n ASP 91 Cb 0.42 -0.46 -0.17 0.00 -1.04 0.00 0.00 41.12 39.87 2wgo n ASP 91 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2wgo s ASP 92 N -2.84 2.11 0.33 1.67 2.15 -1.26 -5.12 116.67 113.72 2wgo s ASP 92 Ca 0.34 -0.34 -0.12 0.00 0.43 0.00 0.00 52.55 52.86 2wgo s ASP 92 Cb 0.31 -0.92 0.02 0.00 -0.30 0.00 0.00 42.92 42.03 2wgo s ASP 92 CO 0.02 -0.02 0.63 -0.62 -0.17 0.00 0.00 175.17 175.01 2wgo s ASP 93 N 1.11 0.22 -0.01 -0.34 -1.08 -1.26 -5.05 116.67 110.25 2wgo s ASP 93 Ca -0.06 -1.13 0.15 0.00 -0.52 0.00 0.00 52.55 50.99 2wgo s ASP 93 Cb -0.14 0.73 -0.20 0.00 -1.46 0.00 0.00 42.92 41.85 2wgo s ASP 93 CO -0.02 -1.43 0.47 -0.90 0.52 0.00 0.00 175.17 173.81 2wgo n ASP 94 N -1.09 1.13 0.00 -0.34 5.68 -1.26 -4.82 116.55 115.85 2wgo n ASP 94 Ca -0.04 -0.41 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 2wgo n ASP 94 Cb 0.61 1.36 0.00 0.00 -1.14 0.00 0.00 41.12 41.95 2wgo n ASP 94 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wgo n GLY 95 N 1.50 0.09 0.00 6.12 0.00 -1.26 -5.15 105.19 106.49 2wgo n GLY 95 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2wgo n GLY 95 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90