#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 6.65 -0.44 1.61 0.01 0.11 -4.86 113.70 116.78 2wgo s SER 0 Ca 0.00 -1.92 -0.01 0.00 1.31 0.00 0.00 55.95 55.34 2wgo s SER 0 Cb 0.00 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.82 2wgo s SER 0 CO 0.00 -1.29 0.21 -1.48 0.41 0.00 0.00 173.24 171.09 2wgo s LEU 1 N 4.14 5.05 0.00 2.44 -0.00 -1.26 -4.13 118.68 124.92 2wgo s LEU 1 Ca 0.45 -2.29 0.00 0.00 -0.00 0.00 0.00 54.13 52.30 2wgo s LEU 1 Cb -0.00 -1.77 0.00 0.00 -0.00 0.00 0.00 46.19 44.42 2wgo s LEU 1 CO -0.05 -0.45 0.00 0.00 -0.00 0.00 0.00 176.35 175.85 2wgo n ILE 2 N 4.19 0.00 0.13 1.48 0.13 -1.26 -4.94 119.36 119.09 2wgo n ILE 2 Ca 0.02 0.00 0.02 0.00 -1.10 0.00 0.00 62.75 61.68 2wgo n ILE 2 Cb 0.40 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 39.22 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 -0.02 1.41 0.00 9.51 4.32 -1.25 -4.54 117.00 126.42 2wgo n LEU 3 Ca 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 56.01 54.89 2wgo n LEU 3 Cb 0.00 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 2wgo n LEU 3 CO 0.00 0.32 0.00 -0.67 -1.22 0.00 0.00 177.39 175.82 2wgo n ASP 4 N 0.17 0.00 -2.69 -1.43 2.03 -1.21 -0.89 116.55 112.53 2wgo n ASP 4 Ca 0.02 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.28 2wgo n ASP 4 Cb 0.11 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.61 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgo n GLY 5 N 0.00 -0.60 2.09 0.27 0.00 -0.99 -4.86 105.19 101.10 2wgo n GLY 5 Ca 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 0.56 -2.92 -4.64 1.61 2.03 -0.22 -4.86 116.55 108.11 2wgo n ASP 6 Ca 0.00 0.06 -0.38 0.00 0.52 0.00 0.00 54.79 54.99 2wgo n ASP 6 Cb 0.73 -1.22 -0.09 0.00 -0.72 0.00 0.00 41.12 39.82 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2wgo s LEU 7 N -0.84 4.09 0.05 -2.67 0.20 -0.06 -5.01 118.68 114.44 2wgo s LEU 7 Ca 0.00 0.20 -0.10 0.00 0.69 0.00 0.00 54.13 54.91 2wgo s LEU 7 Cb 0.00 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2wgo s LEU 7 CO 0.00 -0.04 1.18 0.17 -0.29 0.00 0.00 176.35 177.37 2wgo h LEU 8 N 7.94 -0.70 0.00 -0.68 -0.00 -1.94 -3.40 115.31 116.53 2wgo h LEU 8 Ca -0.36 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2wgo h LEU 8 Cb 1.17 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 42.14 2wgo h LEU 8 CO 0.64 -0.09 0.00 0.29 -0.00 0.00 0.00 178.44 179.28 2wgo n LYS 9 N -3.72 0.00 0.21 0.17 4.76 -1.26 -4.31 118.16 114.02 2wgo n LYS 9 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 2wgo n LYS 9 Cb 0.09 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.20 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 -0.50 -6.23 4.39 2.03 -1.84 -3.46 116.42 110.81 2wgo h ASP 10 Ca 0.00 0.03 -0.46 0.00 -0.73 0.00 0.00 57.03 55.87 2wgo h ASP 10 Cb 0.00 0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 38.64 2wgo h ASP 10 CO 0.00 -0.33 -0.79 0.29 -1.03 0.00 0.00 179.24 177.38 2wgo n LYS 11 N -5.33 -5.28 0.00 4.15 5.02 -1.26 -4.96 118.16 110.50 2wgo n LYS 11 Ca -0.10 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2wgo n LYS 11 Cb 0.24 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 2wgo n LYS 11 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wgo n LEU 12 N -4.54 0.18 -3.46 -0.35 7.99 -1.26 -4.94 117.00 110.63 2wgo n LEU 12 Ca -0.09 0.14 -0.22 0.00 -0.01 0.00 0.00 56.01 55.83 2wgo n LEU 12 Cb 0.59 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.94 2wgo n LEU 12 CO 0.73 0.00 0.00 0.29 -1.51 0.00 0.00 177.39 176.90 2wgo n LYS 13 N -0.17 -1.63 -4.36 3.23 4.01 -1.26 -5.00 118.16 112.98 2wgo n LYS 13 Ca 0.00 0.73 -0.20 0.00 -0.51 0.00 0.00 58.31 58.34 2wgo n LYS 13 Cb 0.00 -4.87 -0.09 0.00 -0.51 0.00 0.00 35.03 29.56 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2wgo s LEU 14 N -5.74 1.73 0.00 -0.35 1.43 -1.26 -5.16 118.68 109.32 2wgo s LEU 14 Ca 0.40 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 2wgo s LEU 14 Cb -0.10 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.26 2wgo s LEU 14 CO 0.80 -0.88 0.00 -0.81 0.23 0.00 0.00 176.35 175.69 2wgo n PRO 15 N -0.62 1.80 -1.57 1.29 -0.04 -1.26 -4.79 135.00 129.81 2wgo n PRO 15 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2wgo n PRO 15 Cb 0.65 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.07 2wgo n PRO 15 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wgo n VAL 16 N -0.27 0.16 -1.48 0.52 0.31 -1.26 -4.81 118.33 111.51 2wgo n VAL 16 Ca 0.00 -0.56 -0.33 0.00 -0.01 0.00 0.00 64.34 63.44 2wgo n VAL 16 Cb 0.00 -2.54 0.08 0.00 -0.91 0.00 0.00 33.84 30.47 2wgo n VAL 16 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wgo s ILE 17 N 9.71 2.99 0.15 2.52 1.01 0.17 -4.87 121.20 132.88 2wgo s ILE 17 Ca 1.01 0.41 -0.34 0.00 0.00 0.00 0.00 60.65 61.74 2wgo s ILE 17 Cb -0.34 -2.89 -0.16 0.00 0.01 0.00 0.00 42.46 39.08 2wgo s ILE 17 CO 0.33 -0.33 1.25 0.47 0.00 0.00 0.00 174.94 176.66 2wgo n ASP 18 N -2.91 1.59 0.23 3.58 9.92 -1.26 -3.94 116.55 123.76 2wgo n ASP 18 Ca 0.11 1.13 0.10 0.00 -0.53 0.00 0.00 54.79 55.60 2wgo n ASP 18 Cb 0.52 -1.23 0.57 0.00 -0.64 0.00 0.00 41.12 40.34 2wgo n ASP 18 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2wgo h ASN 19 N 3.86 0.00 0.03 -2.24 -0.26 -1.95 -0.22 115.58 114.81 2wgo h ASN 19 Ca -0.45 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.29 2wgo h ASN 19 Cb 1.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 2wgo h ASN 19 CO 0.73 0.20 -0.02 0.25 -1.06 0.00 0.00 177.43 177.54 2wgo h LEU 20 N 0.00 -0.04 -1.15 1.61 6.46 -1.98 0.61 115.31 120.82 2wgo h LEU 20 Ca -0.00 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.62 2wgo h LEU 20 Cb 0.53 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.42 2wgo h LEU 20 CO 0.03 0.14 0.58 0.15 -0.62 0.00 0.00 178.44 178.71 2wgo h PHE 21 N -0.21 1.07 -0.21 1.25 3.04 -1.75 0.86 116.94 120.99 2wgo h PHE 21 Ca -0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2wgo h PHE 21 Cb 0.20 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 2wgo h PHE 21 CO -0.02 0.64 0.05 0.78 -2.02 0.00 0.00 178.31 177.74 2wgo h GLY 22 N 1.13 0.37 0.63 2.40 0.00 -0.80 -2.47 103.07 104.33 2wgo h GLY 22 Ca 0.34 -0.23 0.13 0.00 0.00 0.00 0.00 47.33 47.57 2wgo h GLY 22 CO -0.09 0.21 0.56 0.50 0.00 0.00 0.00 176.54 177.72 2wgo h LYS 23 N 0.16 0.68 -0.30 4.80 1.79 0.12 -0.35 116.57 123.47 2wgo h LYS 23 Ca 0.07 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2wgo h LYS 23 Cb 0.27 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2wgo h LYS 23 CO 0.00 0.45 0.20 0.93 -1.08 0.00 0.00 179.45 179.95 2wgo h GLU 24 N 0.70 0.40 0.16 3.15 4.39 -0.58 0.33 114.58 123.13 2wgo h GLU 24 Ca 0.42 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.10 2wgo h GLU 24 Cb 0.63 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2wgo h GLU 24 CO -0.18 0.27 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.54 2wgo h LEU 25 N 0.41 -0.96 -1.77 1.33 3.38 -0.65 -2.69 115.31 114.36 2wgo h LEU 25 Ca 0.11 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2wgo h LEU 25 Cb -0.04 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wgo h LEU 25 CO -0.02 -0.38 0.17 -0.07 0.09 0.00 0.00 178.44 178.23 2wgo h LEU 26 N -0.53 0.27 -0.98 1.67 4.07 -1.16 -1.45 115.31 117.20 2wgo h LEU 26 Ca -0.02 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.96 2wgo h LEU 26 Cb 0.50 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 2wgo h LEU 26 CO -0.13 0.19 0.65 -0.78 -1.08 0.00 0.00 178.44 177.29 2wgo h ASP 27 N 0.31 1.10 0.59 -0.43 1.82 -0.14 0.45 116.42 120.12 2wgo h ASP 27 Ca 0.10 -0.02 -0.19 0.00 -0.39 0.00 0.00 57.03 56.53 2wgo h ASP 27 Cb 0.02 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 2wgo h ASP 27 CO -0.02 0.78 -0.83 0.11 -1.61 0.00 0.00 179.24 177.67 2wgo h LYS 28 N 1.29 0.17 -0.53 0.28 1.57 -0.94 -3.03 116.57 115.38 2wgo h LYS 28 Ca 0.37 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2wgo h LYS 28 Cb -0.09 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2wgo h LYS 28 CO -0.10 0.90 0.00 1.19 -0.57 0.00 0.00 179.45 180.88 2wgo n PHE 29 N -3.68 0.70 -0.35 -1.35 3.01 -0.92 -4.36 117.46 110.51 2wgo n PHE 29 Ca -0.03 -0.35 0.09 0.00 1.01 0.00 0.00 57.45 58.17 2wgo n PHE 29 Cb 0.78 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.52 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 3.64 0.89 -0.71 -1.08 4.15 0.01 0.38 115.11 122.38 2wgo h GLN 30 Ca 0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.30 2wgo h GLN 30 Cb 0.82 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 2wgo h GLN 30 CO 0.00 0.59 0.19 -0.44 -1.93 0.00 0.00 178.83 177.24 2wgo h ASP 31 N 0.92 1.07 0.15 -0.69 5.19 -1.81 0.28 116.42 121.53 2wgo h ASP 31 Ca 0.50 -0.22 -0.26 0.00 -0.62 0.00 0.00 57.03 56.43 2wgo h ASP 31 Cb 0.58 -0.28 0.02 0.00 0.18 0.00 0.00 39.33 39.83 2wgo h ASP 31 CO -0.27 1.02 -1.07 -0.78 -3.12 0.00 0.00 179.24 175.01 2wgo h ASP 32 N 1.08 0.78 0.55 6.45 1.82 -1.28 0.13 116.42 125.96 2wgo h ASP 32 Ca 0.23 -0.65 -0.05 0.00 -0.39 0.00 0.00 57.03 56.16 2wgo h ASP 32 Cb 0.36 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 2wgo h ASP 32 CO -0.00 1.46 -0.26 0.40 -1.61 0.00 0.00 179.24 179.23 2wgo h ILE 33 N 0.31 0.83 0.00 2.25 2.04 -0.26 0.44 117.51 123.11 2wgo h ILE 33 Ca -0.13 -1.04 -0.19 0.00 1.00 0.00 0.00 64.86 64.50 2wgo h ILE 33 Cb 1.73 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 39.41 2wgo h ILE 33 CO 0.20 0.26 -1.08 0.50 0.00 0.00 0.00 178.15 178.02 2wgo h LYS 34 N 0.00 0.00 -0.11 2.37 3.64 -0.71 0.27 116.57 122.02 2wgo h LYS 34 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2wgo h LYS 34 Cb 0.61 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2wgo h LYS 34 CO 0.03 0.67 -0.18 0.22 -2.27 0.00 0.00 179.45 177.92 2wgo h ASP 35 N 0.00 0.36 0.13 4.20 1.82 -0.16 -1.07 116.42 121.70 2wgo h ASP 35 Ca -0.09 -0.54 -0.30 0.00 -0.39 0.00 0.00 57.03 55.72 2wgo h ASP 35 Cb 1.70 -0.10 0.03 0.00 0.68 0.00 0.00 39.33 41.63 2wgo h ASP 35 CO 0.09 0.83 -1.24 0.11 -1.61 0.00 0.00 179.24 177.42 2wgo h LYS 36 N -0.10 0.62 0.00 0.28 1.57 -0.19 -3.41 116.57 115.35 2wgo h LYS 36 Ca 0.01 -0.82 -0.12 0.00 -1.87 0.00 0.00 60.65 57.85 2wgo h LYS 36 Cb 0.75 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2wgo h LYS 36 CO 0.04 1.37 -1.40 0.66 -0.57 0.00 0.00 179.45 179.56 2wgo n TYR 37 N -3.79 0.00 0.00 -1.35 4.01 0.81 -5.05 117.16 111.79 2wgo n TYR 37 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2wgo n TYR 37 Cb 0.98 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 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 2.68 1.09 3.68 2.72 0.00 -0.38 -4.95 105.19 110.03 2wgo n GLY 38 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.94 -1.83 1.61 1.01 -1.19 -4.89 120.40 117.05 2wgo s VAL 39 Ca 0.00 -1.08 0.14 0.00 0.00 0.00 0.00 61.98 61.04 2wgo s VAL 39 Cb 0.00 -2.89 0.44 0.00 0.00 0.00 0.00 36.38 33.93 2wgo s VAL 39 CO 0.00 0.08 1.35 -0.67 0.00 0.00 0.00 175.10 175.86 2wgo n ASP 40 N 0.44 2.77 0.00 3.32 2.03 -1.26 -3.74 116.55 120.12 2wgo n ASP 40 Ca -0.11 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.13 2wgo n ASP 40 Cb 0.52 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.86 0.00 0.53 5.18 -2.24 -1.26 -4.54 114.28 112.81 2wgo n THR 41 Ca 0.16 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.05 2wgo n THR 41 Cb 0.46 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.14 2wgo n THR 41 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wgo n LYS 42 N -0.42 0.13 0.06 -0.78 4.81 -1.26 -2.43 118.16 118.27 2wgo n LYS 42 Ca 0.00 0.29 -0.22 0.00 -0.87 0.00 0.00 58.31 57.51 2wgo n LYS 42 Cb 0.00 -1.72 -0.15 0.00 0.02 0.00 0.00 35.03 33.18 2wgo n LYS 42 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2wgo h ASP 43 N 0.00 0.55 -1.95 3.14 3.58 -1.97 -3.43 116.42 116.34 2wgo h ASP 43 Ca 0.00 -0.91 -0.54 0.00 0.42 0.00 0.00 57.03 56.00 2wgo h ASP 43 Cb 0.41 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 2wgo h ASP 43 CO 0.00 1.61 1.51 -0.76 -2.88 0.00 0.00 179.24 178.72 2wgo s LEU 44 N -7.60 3.42 -0.31 2.28 1.43 -1.02 -4.86 118.68 112.02 2wgo s LEU 44 Ca -0.15 1.46 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 2wgo s LEU 44 Cb 0.04 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 43.15 2wgo s LEU 44 CO 0.84 -2.27 1.08 -0.75 0.23 0.00 0.00 176.35 175.48 2wgo s LYS 45 N 6.95 4.08 0.04 1.70 2.36 -0.94 -4.84 119.74 129.09 2wgo s LYS 45 Ca 0.95 1.09 -0.30 0.00 -2.55 0.00 0.00 55.97 55.16 2wgo s LYS 45 Cb -0.25 -3.73 -0.05 0.00 -1.05 0.00 0.00 37.83 32.74 2wgo s LYS 45 CO 0.31 -0.89 1.24 0.42 1.55 0.00 0.00 175.35 177.98 2wgo s ILE 46 N 3.64 3.98 -0.25 5.43 1.01 -1.26 0.15 121.20 133.90 2wgo s ILE 46 Ca 0.46 1.40 -0.16 0.00 0.00 0.00 0.00 60.65 62.35 2wgo s ILE 46 Cb -0.12 -3.90 -0.12 0.00 0.01 0.00 0.00 42.46 38.33 2wgo s ILE 46 CO 0.15 0.07 -0.25 0.18 0.00 0.00 0.00 174.94 175.09 2wgo n LEU 47 N 4.34 1.94 -3.46 2.97 4.77 0.19 -4.92 117.00 122.83 2wgo n LEU 47 Ca 0.10 0.36 -0.21 0.00 -0.03 0.00 0.00 56.01 56.24 2wgo n LEU 47 Cb 0.46 -0.84 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 2wgo n LEU 47 CO 0.56 0.39 -0.22 -0.75 -1.33 0.00 0.00 177.39 176.04 2wgo s LYS 48 N -2.52 0.25 -0.18 3.23 2.20 -1.13 -5.00 119.74 116.59 2wgo s LYS 48 Ca -0.35 -0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 54.82 2wgo s LYS 48 Cb 0.12 -0.95 -0.00 0.00 -1.51 0.00 0.00 37.83 35.48 2wgo s LYS 48 CO 0.49 -0.92 1.08 0.99 -0.36 0.00 0.00 175.35 176.63 2wgo s THR 49 N 2.28 4.61 0.30 3.43 2.01 -1.25 -1.99 115.64 125.02 2wgo s THR 49 Ca 0.08 1.92 -0.06 0.00 0.31 0.00 0.00 61.69 63.95 2wgo s THR 49 Cb -0.15 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.14 2wgo s THR 49 CO -0.28 -0.11 0.49 -1.20 -0.69 0.00 0.00 174.62 172.82 2wgo n SER 50 N 5.96 -1.39 -3.48 3.53 7.64 -0.14 0.44 113.62 126.18 2wgo n SER 50 Ca 0.11 -2.42 -0.10 0.00 1.01 0.00 0.00 58.87 57.47 2wgo n SER 50 Cb 0.46 2.45 -0.02 0.00 -1.01 0.00 0.00 64.21 66.09 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 -2.41 1.15 0.00 1.43 4.04 -1.26 0.02 118.70 121.67 2wgo s GLU 51 Ca 0.19 -0.45 0.00 0.00 0.04 0.00 0.00 54.97 54.75 2wgo s GLU 51 Cb -0.02 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.65 2wgo s GLU 51 CO 0.14 -0.51 0.00 -3.47 -1.84 0.00 0.00 175.26 169.58 2wgo n ASP 52 N -0.34 0.00 0.00 0.83 2.03 0.39 -4.85 116.55 114.60 2wgo n ASP 52 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2wgo n ASP 52 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 2wgo n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2wgo n LYS 53 N -0.54 0.00 -0.30 -0.67 4.76 -1.26 -4.86 118.16 115.29 2wgo n LYS 53 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 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 -1.12 2.31 -3.78 1.97 1.74 -1.26 -4.85 116.66 111.67 2wgo n ARG 54 Ca 0.00 -1.21 -0.13 0.00 -0.77 0.00 0.00 57.85 55.74 2wgo n ARG 54 Cb 0.00 -1.63 -0.13 0.00 -1.02 0.00 0.00 32.46 29.68 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 -1.68 -0.20 0.18 -1.55 0.40 -1.26 -1.11 117.98 112.76 2wgo s PHE 55 Ca 0.21 0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 57.01 2wgo s PHE 55 Cb 0.15 0.02 -0.05 0.00 0.51 0.00 0.00 43.02 43.64 2wgo s PHE 55 CO 0.09 -0.13 0.42 0.71 0.70 0.00 0.00 175.22 177.00 2wgo s TYR 56 N 0.58 3.47 -0.18 0.36 2.02 0.19 -0.46 117.35 123.32 2wgo s TYR 56 Ca -0.04 0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 57.18 2wgo s TYR 56 Cb -0.06 -2.01 0.06 0.00 -0.40 0.00 0.00 41.96 39.55 2wgo s TYR 56 CO -0.03 0.37 0.07 0.71 -1.57 0.00 0.00 175.55 175.10 2wgo s TYR 57 N -1.77 0.54 -0.34 2.71 2.02 0.10 -1.08 117.35 119.53 2wgo s TYR 57 Ca 0.42 -0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 56.51 2wgo s TYR 57 Cb -0.12 -0.84 0.05 0.00 -0.40 0.00 0.00 41.96 40.66 2wgo s TYR 57 CO 0.26 -0.56 0.10 0.08 -1.57 0.00 0.00 175.55 173.86 2wgo s VAL 58 N 2.02 3.61 -0.03 0.71 1.01 -0.49 -0.97 120.40 126.27 2wgo s VAL 58 Ca 0.01 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.46 2wgo s VAL 58 Cb -0.16 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2wgo s VAL 58 CO -0.10 -0.23 0.80 -0.55 0.00 0.00 0.00 175.10 175.02 2wgo s SER 59 N 1.47 7.14 0.04 3.32 0.15 -0.84 0.01 113.70 124.98 2wgo s SER 59 Ca -0.01 1.37 0.02 0.00 0.70 0.00 0.00 55.95 58.04 2wgo s SER 59 Cb -0.20 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 2wgo s SER 59 CO 0.01 -0.14 -0.08 0.68 1.20 0.00 0.00 173.24 174.91 2wgo s VAL 60 N 0.73 0.58 -0.39 4.45 -7.23 0.20 0.55 120.40 119.28 2wgo s VAL 60 Ca 0.42 -0.96 -0.21 0.00 -1.81 0.00 0.00 61.98 59.42 2wgo s VAL 60 Cb -0.19 -0.61 0.01 0.00 0.56 0.00 0.00 36.38 36.15 2wgo s VAL 60 CO 0.22 -0.28 0.68 -0.62 -0.31 0.00 0.00 175.10 174.79 2wgo s ASP 61 N -1.35 6.42 -0.08 4.85 -1.08 0.12 -1.35 116.67 124.19 2wgo s ASP 61 Ca -0.07 0.02 -0.09 0.00 -0.52 0.00 0.00 52.55 51.89 2wgo s ASP 61 Cb -0.09 -2.34 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 2wgo s ASP 61 CO 0.00 -0.70 -0.18 0.00 0.52 0.00 0.00 175.17 174.81 2wgo n ALA 62 N 6.24 0.90 -1.23 3.66 0.00 -0.75 -2.21 120.51 127.13 2wgo n ALA 62 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2wgo n ALA 62 Cb 0.48 0.04 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 1.77 0.80 0.16 0.00 0.00 -1.23 -4.92 105.19 101.78 2wgo n GLY 63 Ca -0.07 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.00 2wgo n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wgo n ASP 64 N 0.00 1.23 0.00 1.61 5.75 -1.26 -4.76 116.55 119.12 2wgo n ASP 64 Ca 0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 2wgo n ASP 64 Cb 0.00 0.81 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wgo n GLY 65 N 1.39 0.09 3.76 6.12 0.00 -1.26 -5.12 105.19 110.17 2wgo n GLY 65 Ca 0.05 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wgo n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wgo s GLU 66 N -1.00 4.15 -0.23 1.61 2.56 -1.26 -4.90 118.70 119.63 2wgo s GLU 66 Ca 0.00 2.52 -0.03 0.00 0.00 0.00 0.00 54.97 57.46 2wgo s GLU 66 Cb 0.00 -3.02 0.07 0.00 2.00 0.00 0.00 34.13 33.18 2wgo s GLU 66 CO 0.00 -0.56 0.08 0.15 -0.56 0.00 0.00 175.26 174.37 2wgo s LYS 67 N -0.95 0.37 0.10 4.30 1.02 -1.26 -1.80 119.74 121.52 2wgo s LYS 67 Ca 0.59 -0.43 -0.06 0.00 0.02 0.00 0.00 55.97 56.10 2wgo s LYS 67 Cb -0.46 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2wgo s LYS 67 CO 0.51 -0.79 0.34 0.00 -0.92 0.00 0.00 175.35 174.50 2wgo s LYS 69 N -2.32 2.01 0.07 0.00 2.20 -1.09 0.58 119.74 121.18 2wgo s LYS 69 Ca 0.36 -1.68 -0.31 0.00 -0.36 0.00 0.00 55.97 53.99 2wgo s LYS 69 Cb -0.13 -3.39 -0.07 0.00 -1.51 0.00 0.00 37.83 32.73 2wgo s LYS 69 CO 0.22 -0.92 1.46 -0.06 -0.36 0.00 0.00 175.35 175.69 2wgo s PHE 70 N 1.12 2.95 -1.01 4.03 0.08 0.10 -2.37 117.98 122.88 2wgo s PHE 70 Ca 0.05 0.76 -0.10 0.00 0.12 0.00 0.00 56.93 57.76 2wgo s PHE 70 Cb -0.21 -3.75 0.26 0.00 -0.57 0.00 0.00 43.02 38.75 2wgo s PHE 70 CO -0.04 -2.76 0.98 0.21 -0.10 0.00 0.00 175.22 173.50 2wgo s LYS 71 N 1.82 3.95 -1.02 0.44 2.20 -0.84 -1.40 119.74 124.89 2wgo s LYS 71 Ca 0.66 -2.98 -0.22 0.00 -0.36 0.00 0.00 55.97 53.07 2wgo s LYS 71 Cb -0.36 -4.48 0.06 0.00 -1.51 0.00 0.00 37.83 31.54 2wgo s LYS 71 CO 0.29 -1.26 1.42 0.42 -0.36 0.00 0.00 175.35 175.87 2wgo s ILE 72 N -0.81 4.04 -0.05 5.43 1.01 -0.24 -3.12 121.20 127.46 2wgo s ILE 72 Ca 0.26 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 2wgo s ILE 72 Cb -0.10 -5.03 -0.09 0.00 0.01 0.00 0.00 42.46 37.25 2wgo s ILE 72 CO -0.08 -1.89 2.02 -1.14 0.00 0.00 0.00 174.94 173.85 2wgo n ARG 73 N 8.56 2.53 -0.43 2.79 0.63 -1.26 0.53 116.66 130.02 2wgo n ARG 73 Ca 0.32 0.89 -0.29 0.00 -0.92 0.00 0.00 57.85 57.85 2wgo n ARG 73 Cb 0.51 -2.99 0.28 0.00 0.45 0.00 0.00 32.46 30.71 2wgo n ARG 73 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2wgo s LYS 74 N 4.85 -2.05 -0.93 -0.14 1.02 -0.27 -4.58 119.74 117.65 2wgo s LYS 74 Ca 0.93 0.49 -0.12 0.00 0.02 0.00 0.00 55.97 57.29 2wgo s LYS 74 Cb -0.47 -1.45 -0.09 0.00 -0.52 0.00 0.00 37.83 35.31 2wgo s LYS 74 CO 0.42 -4.38 2.09 -3.47 -0.92 0.00 0.00 175.35 169.09 2wgo n ASP 75 N -5.34 4.15 -0.19 2.83 2.03 -1.26 -4.17 116.55 114.61 2wgo n ASP 75 Ca 0.07 -2.49 0.11 0.00 0.52 0.00 0.00 54.79 52.99 2wgo n ASP 75 Cb 0.57 -1.16 -0.04 0.00 -0.72 0.00 0.00 41.12 39.78 2wgo n ASP 75 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2wgo n VAL 76 N 4.89 0.00 0.05 5.18 0.24 -1.26 -1.06 118.33 126.37 2wgo n VAL 76 Ca 0.48 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.68 2wgo n VAL 76 Cb 0.25 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.92 -0.92 -4.91 -1.34 2.03 -1.26 -3.83 116.55 105.40 2wgo n ASP 77 Ca 0.06 0.52 -0.31 0.00 0.52 0.00 0.00 54.79 55.59 2wgo n ASP 77 Cb 0.38 1.19 -0.04 0.00 -0.72 0.00 0.00 41.12 41.93 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 -1.85 5.19 -0.26 5.18 -7.23 -1.26 -4.98 120.40 115.18 2wgo s VAL 78 Ca 0.00 -0.08 0.01 0.00 -1.81 0.00 0.00 61.98 60.10 2wgo s VAL 78 Cb 0.00 -3.65 0.32 0.00 0.56 0.00 0.00 36.38 33.61 2wgo s VAL 78 CO 0.00 -0.00 1.63 -0.81 -0.31 0.00 0.00 175.10 175.60 2wgo n PRO 79 N -0.07 1.71 -0.90 4.82 -0.04 -1.26 -4.16 135.00 135.10 2wgo n PRO 79 Ca -0.03 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 2wgo n PRO 79 Cb 0.52 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2wgo n PRO 79 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wgo n LYS 80 N -0.19 0.00 -3.54 0.54 4.81 -1.26 0.08 118.16 118.60 2wgo n LYS 80 Ca 0.31 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.39 2wgo n LYS 80 Cb 0.97 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.94 2wgo n LYS 80 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2wgo s MET 81 N -0.86 4.18 0.46 1.64 -1.94 -1.26 -4.06 119.30 117.46 2wgo s MET 81 Ca 0.00 -0.00 0.20 0.00 -1.71 0.00 0.00 55.69 54.18 2wgo s MET 81 Cb 0.00 -3.49 1.19 0.00 2.01 0.00 0.00 34.83 34.54 2wgo s MET 81 CO 0.00 0.11 1.90 -0.24 -0.01 0.00 0.00 175.02 176.78 2wgo h VAL 82 N 4.88 0.70 0.00 -6.03 3.04 -1.81 -3.46 116.25 113.57 2wgo h VAL 82 Ca -0.39 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2wgo h VAL 82 Cb 1.16 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2wgo h VAL 82 CO 0.72 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.94 2wgo n GLY 83 N -1.57 -0.64 0.00 3.17 0.00 -1.18 -5.04 105.19 99.93 2wgo n GLY 83 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2wgo n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wgo n ARG 84 N 0.00 0.00 -3.67 1.61 0.00 -1.26 -1.99 116.66 111.35 2wgo n ARG 84 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2wgo n ARG 84 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 32.46 32.34 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 -1.88 0.21 -0.08 2.89 2.47 -1.00 -4.87 119.74 117.49 2wgo s LYS 85 Ca 0.00 0.82 -0.22 0.00 -1.56 0.00 0.00 55.97 55.01 2wgo s LYS 85 Cb 0.00 0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 2wgo s LYS 85 CO 0.00 -0.26 0.63 0.00 0.16 0.00 0.00 175.35 175.88 2wgo n ARG 87 N 3.68 1.60 0.04 0.00 0.63 -1.26 -4.61 116.66 116.76 2wgo n ARG 87 Ca -0.03 -3.21 -0.14 0.00 -0.92 0.00 0.00 57.85 53.55 2wgo n ARG 87 Cb 0.51 -1.43 -0.03 0.00 0.45 0.00 0.00 32.46 31.96 2wgo n ARG 87 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wgo h LYS 88 N 1.23 0.51 0.15 -0.14 3.11 -1.93 -3.34 116.57 116.16 2wgo h LYS 88 Ca 0.01 -0.48 -0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2wgo h LYS 88 Cb 1.24 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.58 2wgo h LYS 88 CO 0.13 1.11 -0.22 0.22 -2.81 0.00 0.00 179.45 177.89 2wgo h ASP 89 N 0.32 -0.63 0.00 4.20 1.82 -1.96 -3.48 116.42 116.69 2wgo h ASP 89 Ca -0.06 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2wgo h ASP 89 Cb 1.47 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.70 2wgo h ASP 89 CO 0.16 -0.27 0.00 -0.67 -1.61 0.00 0.00 179.24 176.85 2wgo n ASP 90 N -3.68 0.00 -3.63 2.28 -0.08 -1.25 -5.18 116.55 105.01 2wgo n ASP 90 Ca -0.05 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.13 2wgo n ASP 90 Cb 0.19 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.60 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 1.98 -0.25 -0.06 1.67 -1.08 -1.26 -4.91 116.67 112.76 2wgo s ASP 91 Ca 0.00 -0.30 -0.09 0.00 -0.52 0.00 0.00 52.55 51.64 2wgo s ASP 91 Cb 0.00 0.48 0.02 0.00 -1.46 0.00 0.00 42.92 41.96 2wgo s ASP 91 CO 0.00 -0.85 0.23 -0.62 0.52 0.00 0.00 175.17 174.45 2wgo s ASP 92 N -2.79 -0.19 -0.10 -0.34 2.15 -1.26 -5.08 116.67 109.05 2wgo s ASP 92 Ca 0.03 0.30 -0.02 0.00 0.43 0.00 0.00 52.55 53.29 2wgo s ASP 92 Cb 0.02 0.42 0.04 0.00 -0.30 0.00 0.00 42.92 43.09 2wgo s ASP 92 CO -0.12 -0.19 0.03 -0.62 -0.17 0.00 0.00 175.17 174.11 2wgo s ASP 93 N -0.35 1.84 0.00 -0.34 2.15 -1.26 -4.92 116.67 113.79 2wgo s ASP 93 Ca -0.05 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2wgo s ASP 93 Cb -0.03 -0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 2wgo s ASP 93 CO 0.01 -0.25 0.00 -0.67 -0.17 0.00 0.00 175.17 174.09 2wgo n ASP 94 N 5.18 -0.01 0.00 -0.34 2.03 -1.26 -5.13 116.55 117.03 2wgo n ASP 94 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2wgo n ASP 94 Cb 0.49 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 2wgo n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wgo n GLY 95 N -1.22 1.43 2.43 0.27 0.00 -1.26 -5.29 105.19 101.55 2wgo n GLY 95 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2wgo n GLY 95 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30