#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 1.82 0.00 1.61 3.41 -1.16 -4.67 113.62 114.63 2wgo n SER 0 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2wgo n SER 0 Cb 0.00 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 2wgo n SER 0 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wgo n LEU 1 N -1.78 0.00 0.00 1.04 4.32 -1.26 -4.35 117.00 114.97 2wgo n LEU 1 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 2wgo n LEU 1 Cb 0.29 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2wgo n LEU 1 CO 0.25 -0.09 0.00 -0.38 -1.22 0.00 0.00 177.39 175.95 2wgo n ILE 2 N 0.00 0.00 -0.10 -0.08 5.41 -1.26 -2.39 119.36 120.94 2wgo n ILE 2 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 2wgo n ILE 2 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 2wgo n ILE 2 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2wgo n LEU 3 N 0.00 2.53 -2.99 1.39 4.77 -1.26 -5.01 117.00 116.44 2wgo n LEU 3 Ca 0.00 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.96 2wgo n LEU 3 Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2wgo n LEU 3 CO 0.00 0.70 0.29 0.47 -1.33 0.00 0.00 177.39 177.52 2wgo n ASP 4 N -3.30 -7.71 -1.92 -1.43 9.92 -0.57 -3.44 116.55 108.10 2wgo n ASP 4 Ca -0.35 0.04 -0.16 0.00 -0.53 0.00 0.00 54.79 53.79 2wgo n ASP 4 Cb 0.84 -5.24 0.00 0.00 -0.64 0.00 0.00 41.12 36.08 2wgo n ASP 4 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wgo n GLY 5 N -1.49 -0.26 0.00 0.44 0.00 0.12 -4.95 105.19 99.04 2wgo n GLY 5 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.11 0.16 -3.73 1.61 4.64 -0.83 -4.68 116.55 112.62 2wgo n ASP 6 Ca -0.16 0.00 -0.09 0.00 -1.38 0.00 0.00 54.79 53.16 2wgo n ASP 6 Cb 0.63 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.67 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2wgo s LEU 7 N 0.00 0.24 -0.04 -2.67 1.43 -1.26 -3.89 118.68 112.48 2wgo s LEU 7 Ca 0.00 -0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 2wgo s LEU 7 Cb 0.00 2.09 0.03 0.00 0.03 0.00 0.00 46.19 48.34 2wgo s LEU 7 CO 0.00 -1.28 0.07 -1.48 0.23 0.00 0.00 176.35 173.89 2wgo s LEU 8 N -3.03 0.14 -0.02 1.79 2.34 -1.26 -4.96 118.68 113.67 2wgo s LEU 8 Ca 0.20 0.11 0.21 0.00 0.06 0.00 0.00 54.13 54.71 2wgo s LEU 8 Cb -0.02 -0.09 -0.30 0.00 -0.56 0.00 0.00 46.19 45.21 2wgo s LEU 8 CO 0.10 -0.25 0.54 0.29 -1.06 0.00 0.00 176.35 175.97 2wgo n LYS 9 N 5.27 0.57 -0.05 1.48 5.02 -1.26 -4.33 118.16 124.86 2wgo n LYS 9 Ca -0.04 -0.15 -0.09 0.00 -2.02 0.00 0.00 58.31 56.00 2wgo n LYS 9 Cb 0.50 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 2wgo n LYS 9 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2wgo n ASP 10 N -2.08 0.54 -0.78 4.39 3.85 -1.26 -5.07 116.55 116.14 2wgo n ASP 10 Ca -0.02 0.25 0.00 0.00 -0.71 0.00 0.00 54.79 54.30 2wgo n ASP 10 Cb 0.50 0.35 0.00 0.00 -1.35 0.00 0.00 41.12 40.62 2wgo n ASP 10 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2wgo n LYS 11 N -2.93 0.00 0.00 0.11 5.02 -1.26 -4.76 118.16 114.33 2wgo n LYS 11 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2wgo n LYS 11 Cb 1.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.10 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 0.00 0.67 0.00 -0.35 4.77 -1.26 -5.14 117.00 115.70 2wgo n LEU 12 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2wgo n LEU 12 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2wgo n LEU 12 CO 0.00 -0.26 0.00 2.29 -1.33 0.00 0.00 177.39 178.09 2wgo n LYS 13 N -1.68 0.00 -0.95 3.23 2.85 -1.26 -5.18 118.16 115.17 2wgo n LYS 13 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2wgo n LYS 13 Cb 0.00 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 34.58 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wgo s LEU 14 N 0.00 1.33 0.94 -5.58 1.02 -1.26 -4.96 118.68 110.17 2wgo s LEU 14 Ca 0.00 1.31 -0.14 0.00 0.02 0.00 0.00 54.13 55.31 2wgo s LEU 14 Cb 0.00 -3.40 -0.03 0.00 0.02 0.00 0.00 46.19 42.78 2wgo s LEU 14 CO 0.00 -3.52 0.00 -2.65 0.02 0.00 0.00 176.35 170.21 2wgo n PRO 15 N -4.44 -0.15 -2.58 1.29 -0.02 -1.26 -4.49 135.00 123.36 2wgo n PRO 15 Ca 0.04 -0.01 -0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2wgo n PRO 15 Cb 0.56 -1.56 -0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -3.10 -1.15 -2.22 -1.45 3.14 -1.18 -5.03 118.33 107.34 2wgo n VAL 16 Ca 0.04 0.15 -0.20 0.00 -2.96 0.00 0.00 64.34 61.37 2wgo n VAL 16 Cb 0.54 -2.25 0.12 0.00 -1.06 0.00 0.00 33.84 31.19 2wgo n VAL 16 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2wgo n ILE 17 N 2.27 0.00 0.00 1.55 5.41 0.36 -4.92 119.36 124.03 2wgo n ILE 17 Ca -0.01 -1.06 0.00 0.00 1.00 0.00 0.00 62.75 62.68 2wgo n ILE 17 Cb 0.02 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 2wgo n ILE 17 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2wgo n ASP 18 N -3.21 0.00 0.00 4.38 9.92 -1.26 -4.55 116.55 121.82 2wgo n ASP 18 Ca 0.13 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 2wgo n ASP 18 Cb 0.46 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2wgo n ASP 18 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2wgo n ASN 19 N -1.25 0.00 0.15 -2.24 5.03 -1.26 -4.51 115.26 111.18 2wgo n ASN 19 Ca 0.00 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.52 2wgo n ASN 19 Cb 0.00 0.00 0.56 0.00 -1.02 0.00 0.00 39.78 39.32 2wgo n ASN 19 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2wgo h LEU 20 N 0.00 0.18 -1.01 3.41 5.85 -1.98 0.21 115.31 121.98 2wgo h LEU 20 Ca 0.00 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2wgo h LEU 20 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2wgo h LEU 20 CO 0.00 0.13 -0.08 0.15 -0.34 0.00 0.00 178.44 178.30 2wgo h PHE 21 N 0.21 0.67 0.00 1.25 3.57 -1.94 0.75 116.94 121.46 2wgo h PHE 21 Ca 0.07 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 2wgo h PHE 21 Cb 0.01 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2wgo h PHE 21 CO -0.00 0.69 -0.65 0.78 -2.23 0.00 0.00 178.31 176.90 2wgo h GLY 22 N 0.94 0.00 1.30 2.40 0.00 -1.36 -1.73 103.07 104.62 2wgo h GLY 22 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2wgo h GLY 22 CO 0.03 0.00 -0.01 1.70 0.00 0.00 0.00 176.54 178.25 2wgo h LYS 23 N 0.00 0.85 -0.10 4.80 1.63 -0.06 0.02 116.57 123.71 2wgo h LYS 23 Ca -0.01 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2wgo h LYS 23 Cb 1.36 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2wgo h LYS 23 CO 0.08 0.86 0.04 0.93 -3.45 0.00 0.00 179.45 177.92 2wgo h GLU 24 N 0.79 0.14 -0.00 1.90 4.39 -0.66 0.10 114.58 121.24 2wgo h GLU 24 Ca 0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2wgo h GLU 24 Cb 0.49 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2wgo h GLU 24 CO 0.02 0.22 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.98 2wgo h LEU 25 N 0.02 -0.15 -1.97 1.33 3.38 -0.99 -1.90 115.31 115.03 2wgo h LEU 25 Ca 0.03 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.16 2wgo h LEU 25 Cb 0.13 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2wgo h LEU 25 CO -0.00 -0.05 0.47 -0.07 0.09 0.00 0.00 178.44 178.88 2wgo h LEU 26 N -0.06 0.00 -0.07 1.67 3.38 -1.03 -0.59 115.31 118.61 2wgo h LEU 26 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wgo h LEU 26 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2wgo h LEU 26 CO -0.03 0.00 -0.01 -0.78 0.09 0.00 0.00 178.44 177.71 2wgo h ASP 27 N 0.00 0.13 -0.38 -0.43 3.58 -0.22 0.17 116.42 119.27 2wgo h ASP 27 Ca 0.23 -0.35 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 2wgo h ASP 27 Cb 1.16 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2wgo h ASP 27 CO -0.00 0.45 -0.30 0.11 -2.88 0.00 0.00 179.24 176.61 2wgo h LYS 28 N -0.19 0.87 -0.16 0.28 1.57 -0.42 -3.08 116.57 115.45 2wgo h LYS 28 Ca 0.02 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2wgo h LYS 28 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2wgo h LYS 28 CO 0.01 1.08 0.00 1.19 -0.57 0.00 0.00 179.45 181.15 2wgo n PHE 29 N -4.15 0.20 -0.35 -1.35 0.99 -0.37 -3.97 117.46 108.46 2wgo n PHE 29 Ca -0.02 -0.10 0.06 0.00 -0.00 0.00 0.00 57.45 57.39 2wgo n PHE 29 Cb 0.49 0.00 0.22 0.00 -1.00 0.00 0.00 39.48 39.19 2wgo n PHE 29 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 2wgo h GLN 30 N 2.37 0.94 0.00 -1.08 4.15 -0.57 0.15 115.11 121.07 2wgo h GLN 30 Ca 0.00 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.32 2wgo h GLN 30 Cb 0.52 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2wgo h GLN 30 CO 0.00 0.62 -0.19 0.22 -1.93 0.00 0.00 178.83 177.55 2wgo h ASP 31 N 0.97 0.00 0.18 -0.69 3.58 -1.80 0.34 116.42 119.01 2wgo h ASP 31 Ca 0.47 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.57 2wgo h ASP 31 Cb 0.43 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.49 2wgo h ASP 31 CO -0.25 0.19 -1.75 -0.78 -2.88 0.00 0.00 179.24 173.77 2wgo h ASP 32 N 0.00 0.61 0.11 2.28 1.82 -1.23 -1.33 116.42 118.67 2wgo h ASP 32 Ca -0.00 -0.94 -0.12 0.00 -0.39 0.00 0.00 57.03 55.58 2wgo h ASP 32 Cb 0.44 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2wgo h ASP 32 CO 0.03 1.79 -0.41 0.40 -1.61 0.00 0.00 179.24 179.44 2wgo h ILE 33 N 0.09 1.31 -0.00 2.25 2.04 -0.58 -1.90 117.51 120.72 2wgo h ILE 33 Ca -0.35 -1.55 -0.18 0.00 1.00 0.00 0.00 64.86 63.78 2wgo h ILE 33 Cb 2.09 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.78 2wgo h ILE 33 CO 0.17 0.48 -0.83 0.50 0.00 0.00 0.00 178.15 178.47 2wgo h LYS 34 N 0.33 0.11 -0.57 2.37 3.64 -0.42 0.17 116.57 122.21 2wgo h LYS 34 Ca 0.03 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2wgo h LYS 34 Cb 0.86 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 2wgo h LYS 34 CO 0.07 0.87 0.38 0.22 -2.27 0.00 0.00 179.45 178.72 2wgo h ASP 35 N 0.06 0.65 0.00 4.20 1.82 -0.76 -0.62 116.42 121.77 2wgo h ASP 35 Ca -0.03 -0.02 -0.14 0.00 -0.39 0.00 0.00 57.03 56.46 2wgo h ASP 35 Cb 1.45 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 41.27 2wgo h ASP 35 CO 0.12 0.47 -1.85 0.29 -1.61 0.00 0.00 179.24 176.65 2wgo n LYS 36 N -4.45 1.10 0.00 0.28 5.02 -0.76 -4.78 118.16 114.57 2wgo n LYS 36 Ca 0.05 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2wgo n LYS 36 Cb 0.05 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2wgo n LYS 36 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wgo n TYR 37 N -2.30 0.00 -1.38 2.13 4.01 0.57 -5.07 117.16 115.11 2wgo n TYR 37 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 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 2.08 0.55 3.39 2.72 0.00 -0.24 -4.96 105.19 108.72 2wgo n GLY 38 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.92 2.22 -0.34 1.61 1.01 -1.26 -4.93 120.40 115.78 2wgo s VAL 39 Ca 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 61.98 60.08 2wgo s VAL 39 Cb 0.00 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.43 2wgo s VAL 39 CO 0.00 -0.00 0.12 -0.62 0.00 0.00 0.00 175.10 174.60 2wgo s ASP 40 N -2.26 5.38 0.02 3.32 -1.08 -1.26 -4.37 116.67 116.43 2wgo s ASP 40 Ca 0.15 -1.10 0.18 0.00 -0.52 0.00 0.00 52.55 51.26 2wgo s ASP 40 Cb -0.09 -1.90 0.78 0.00 -1.46 0.00 0.00 42.92 40.25 2wgo s ASP 40 CO 0.07 -0.33 1.59 0.35 0.52 0.00 0.00 175.17 177.36 2wgo n THR 41 N 4.84 0.77 0.09 1.71 -2.24 -1.26 -2.09 114.28 116.10 2wgo n THR 41 Ca -0.12 0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 2wgo n THR 41 Cb 0.45 -0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 67.69 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 0.31 0.00 -0.78 3.64 -1.93 -3.17 116.57 114.65 2wgo h LYS 42 Ca 0.00 -0.43 -0.14 0.00 -1.27 0.00 0.00 60.65 58.81 2wgo h LYS 42 Cb 0.32 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2wgo h LYS 42 CO 0.00 1.15 -0.66 0.22 -2.27 0.00 0.00 179.45 177.89 2wgo h ASP 43 N 0.13 0.00 -1.73 4.20 3.58 -1.83 -3.44 116.42 117.33 2wgo h ASP 43 Ca -0.10 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.71 2wgo h ASP 43 Cb 1.77 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.83 2wgo h ASP 43 CO 0.18 0.66 1.23 0.18 -2.88 0.00 0.00 179.24 178.61 2wgo n LEU 44 N -3.56 2.99 -4.54 2.28 4.32 -1.07 -4.86 117.00 112.56 2wgo n LEU 44 Ca -0.00 0.72 -0.43 0.00 -0.02 0.00 0.00 56.01 56.28 2wgo n LEU 44 Cb 0.70 -1.35 -0.04 0.00 -1.62 0.00 0.00 43.42 41.10 2wgo n LEU 44 CO 0.42 -0.35 0.71 -0.75 -1.22 0.00 0.00 177.39 176.20 2wgo s LYS 45 N 4.94 3.43 -0.17 3.23 2.20 -0.81 -4.88 119.74 127.67 2wgo s LYS 45 Ca 0.99 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 56.26 2wgo s LYS 45 Cb -0.72 -3.97 -0.00 0.00 -1.51 0.00 0.00 37.83 31.63 2wgo s LYS 45 CO 0.50 -1.29 1.01 0.42 -0.36 0.00 0.00 175.35 175.63 2wgo s ILE 46 N 3.71 4.74 -0.24 5.43 1.01 -1.26 0.13 121.20 134.72 2wgo s ILE 46 Ca 0.33 2.01 -0.17 0.00 0.00 0.00 0.00 60.65 62.83 2wgo s ILE 46 Cb -0.11 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 37.92 2wgo s ILE 46 CO 0.23 -0.09 -0.16 0.18 0.00 0.00 0.00 174.94 175.10 2wgo n LEU 47 N 5.68 1.91 -3.53 2.97 4.77 0.14 -4.92 117.00 124.02 2wgo n LEU 47 Ca 0.10 0.39 -0.23 0.00 -0.03 0.00 0.00 56.01 56.23 2wgo n LEU 47 Cb 0.47 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.56 2wgo n LEU 47 CO 0.52 0.32 -0.27 -0.75 -1.33 0.00 0.00 177.39 175.88 2wgo s LYS 48 N -2.48 0.16 -0.08 3.23 2.20 -0.87 -5.00 119.74 116.90 2wgo s LYS 48 Ca -0.33 -0.11 -0.19 0.00 -0.36 0.00 0.00 55.97 54.98 2wgo s LYS 48 Cb 0.10 -1.34 -0.05 0.00 -1.51 0.00 0.00 37.83 35.04 2wgo s LYS 48 CO 0.50 -0.80 0.51 0.99 -0.36 0.00 0.00 175.35 176.19 2wgo s THR 49 N 2.21 5.10 0.19 3.43 2.01 -1.26 0.08 115.64 127.41 2wgo s THR 49 Ca 0.06 1.03 -0.03 0.00 0.31 0.00 0.00 61.69 63.06 2wgo s THR 49 Cb -0.16 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.52 2wgo s THR 49 CO -0.20 0.37 0.31 -1.20 -0.69 0.00 0.00 174.62 173.21 2wgo n SER 50 N 3.28 -0.89 -3.77 3.53 7.64 0.70 0.13 113.62 124.25 2wgo n SER 50 Ca -0.07 -1.95 -0.10 0.00 1.01 0.00 0.00 58.87 57.76 2wgo n SER 50 Cb 0.52 1.57 -0.06 0.00 -1.01 0.00 0.00 64.21 65.22 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 -2.29 0.90 0.00 1.43 -1.05 -1.26 0.23 118.70 116.65 2wgo s GLU 51 Ca 0.13 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 2wgo s GLU 51 Cb -0.01 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.06 2wgo s GLU 51 CO 0.09 -0.31 0.00 -3.47 0.95 0.00 0.00 175.26 172.53 2wgo n ASP 52 N 0.06 1.16 0.09 0.83 -0.08 0.15 -4.87 116.55 113.90 2wgo n ASP 52 Ca -0.16 -0.49 -0.05 0.00 -1.51 0.00 0.00 54.79 52.57 2wgo n ASP 52 Cb 0.62 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.06 2wgo n ASP 52 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2wgo h LYS 53 N 0.00 -0.32 -0.01 -0.67 6.56 -2.01 -3.35 116.57 116.78 2wgo h LYS 53 Ca 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2wgo h LYS 53 Cb 0.00 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2wgo h LYS 53 CO 0.00 -0.21 -0.00 0.54 -2.06 0.00 0.00 179.45 177.72 2wgo n ARG 54 N -4.99 1.22 -3.82 3.15 1.74 -1.26 -4.78 116.66 107.92 2wgo n ARG 54 Ca -0.04 -0.33 -0.09 0.00 -0.77 0.00 0.00 57.85 56.61 2wgo n ARG 54 Cb 0.13 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.01 0.08 0.25 -1.55 0.40 -1.26 -2.14 117.98 111.76 2wgo s PHE 55 Ca 0.44 -0.48 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 2wgo s PHE 55 Cb 0.22 -0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.71 2wgo s PHE 55 CO 0.36 -0.57 0.10 0.71 0.70 0.00 0.00 175.22 176.52 2wgo s TYR 56 N -3.78 2.91 -0.35 0.36 2.02 0.14 0.34 117.35 119.01 2wgo s TYR 56 Ca 0.04 -0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 2wgo s TYR 56 Cb 0.04 -1.31 0.12 0.00 -0.40 0.00 0.00 41.96 40.42 2wgo s TYR 56 CO -0.11 0.57 0.18 0.71 -1.57 0.00 0.00 175.55 175.33 2wgo s TYR 57 N -2.20 0.97 -0.62 2.71 2.02 0.14 -0.81 117.35 119.55 2wgo s TYR 57 Ca 0.32 -1.59 -0.13 0.00 -0.37 0.00 0.00 57.07 55.30 2wgo s TYR 57 Cb -0.07 -1.19 0.16 0.00 -0.40 0.00 0.00 41.96 40.46 2wgo s TYR 57 CO 0.22 -0.83 0.55 0.08 -1.57 0.00 0.00 175.55 174.00 2wgo s VAL 58 N 1.27 5.00 -0.11 0.71 1.01 -0.27 -0.21 120.40 127.80 2wgo s VAL 58 Ca 0.15 -1.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.84 2wgo s VAL 58 Cb -0.21 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2wgo s VAL 58 CO -0.12 -0.90 1.08 -0.44 0.00 0.00 0.00 175.10 174.72 2wgo s SER 59 N 2.70 7.15 0.07 3.32 0.01 0.11 0.28 113.70 127.34 2wgo s SER 59 Ca 0.09 1.61 -0.03 0.00 1.31 0.00 0.00 55.95 58.93 2wgo s SER 59 Cb -0.22 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 2wgo s SER 59 CO -0.02 -0.53 0.03 0.68 0.41 0.00 0.00 173.24 173.81 2wgo s VAL 60 N 2.29 0.19 -0.19 3.43 -7.23 0.17 0.27 120.40 119.33 2wgo s VAL 60 Ca 0.50 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 2wgo s VAL 60 Cb -0.20 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2wgo s VAL 60 CO 0.18 -0.87 0.49 -0.62 -0.31 0.00 0.00 175.10 173.97 2wgo s ASP 61 N -2.92 6.56 0.18 4.85 2.15 0.12 0.22 116.67 127.83 2wgo s ASP 61 Ca 0.08 0.67 0.27 0.00 0.43 0.00 0.00 52.55 54.00 2wgo s ASP 61 Cb 0.07 -2.28 0.88 0.00 -0.30 0.00 0.00 42.92 41.30 2wgo s ASP 61 CO -0.09 -0.13 1.80 0.00 -0.17 0.00 0.00 175.17 176.58 2wgo n ALA 62 N 4.55 2.28 0.00 3.66 0.00 -0.84 -1.92 120.51 128.23 2wgo n ALA 62 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wgo n ALA 62 Cb 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2wgo n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgo n GLY 63 N 1.32 2.96 0.00 0.00 0.00 -1.26 -4.80 105.19 103.40 2wgo n GLY 63 Ca 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.94 2wgo n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgo n ASP 64 N 0.27 0.00 0.00 1.61 9.92 -1.26 -4.80 116.55 122.29 2wgo n ASP 64 Ca 0.00 -1.76 0.00 0.00 -0.53 0.00 0.00 54.79 52.50 2wgo n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2wgo n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wgo n GLY 65 N 0.48 2.19 3.79 0.44 0.00 -1.26 -5.03 105.19 105.80 2wgo n GLY 65 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.66 4.46 -0.13 1.61 -1.05 -1.26 -4.98 118.70 116.69 2wgo s GLU 66 Ca 0.00 1.08 -0.11 0.00 -0.15 0.00 0.00 54.97 55.78 2wgo s GLU 66 Cb 0.00 -3.06 -0.05 0.00 -0.44 0.00 0.00 34.13 30.58 2wgo s GLU 66 CO 0.00 0.47 0.23 0.21 0.95 0.00 0.00 175.26 177.12 2wgo s LYS 67 N -1.56 3.93 0.27 -4.83 2.20 -1.26 -1.99 119.74 116.49 2wgo s LYS 67 Ca 0.40 0.02 0.06 0.00 -0.36 0.00 0.00 55.97 56.09 2wgo s LYS 67 Cb -0.20 -3.32 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2wgo s LYS 67 CO 0.24 0.50 -0.05 0.00 -0.36 0.00 0.00 175.35 175.67 2wgo s LYS 69 N -3.75 0.30 -1.04 0.00 2.20 -1.26 0.42 119.74 116.62 2wgo s LYS 69 Ca 0.29 0.05 -0.23 0.00 -0.36 0.00 0.00 55.97 55.72 2wgo s LYS 69 Cb 0.04 -0.75 0.03 0.00 -1.51 0.00 0.00 37.83 35.63 2wgo s LYS 69 CO 0.11 -0.88 1.62 -0.06 -0.36 0.00 0.00 175.35 175.77 2wgo s PHE 70 N 2.39 2.39 -1.14 4.03 0.08 0.14 -3.93 117.98 121.93 2wgo s PHE 70 Ca 0.09 -0.58 -0.22 0.00 0.12 0.00 0.00 56.93 56.34 2wgo s PHE 70 Cb -0.14 -4.54 -0.07 0.00 -0.57 0.00 0.00 43.02 37.69 2wgo s PHE 70 CO -0.25 -1.84 1.91 1.17 -0.10 0.00 0.00 175.22 176.10 2wgo n LYS 71 N 8.78 1.85 -2.28 0.44 4.81 -0.00 -1.11 118.16 130.65 2wgo n LYS 71 Ca 0.37 -2.49 -0.37 0.00 -0.87 0.00 0.00 58.31 54.96 2wgo n LYS 71 Cb 0.49 -3.55 -0.03 0.00 0.02 0.00 0.00 35.03 31.96 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 8.82 3.58 -0.47 3.15 1.01 0.01 0.38 121.20 137.68 2wgo s ILE 72 Ca 0.64 -0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.97 2wgo s ILE 72 Cb 0.03 -4.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 2wgo s ILE 72 CO 0.12 -1.37 2.29 -0.60 0.00 0.00 0.00 174.94 175.38 2wgo s ARG 73 N 6.30 2.34 0.66 2.79 3.52 -1.26 0.27 118.95 133.57 2wgo s ARG 73 Ca 0.55 1.38 -0.17 0.00 -0.13 0.00 0.00 55.73 57.36 2wgo s ARG 73 Cb -0.08 -4.52 -0.07 0.00 -1.56 0.00 0.00 34.95 28.72 2wgo s ARG 73 CO 0.08 -3.01 0.39 1.63 -0.81 0.00 0.00 175.30 173.59 2wgo n LYS 74 N 8.99 0.33 -1.16 5.12 5.02 -0.91 -4.32 118.16 131.22 2wgo n LYS 74 Ca 0.33 0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 56.34 2wgo n LYS 74 Cb 0.53 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.47 2.41 -0.25 4.39 -0.08 -1.00 -4.43 116.55 118.06 2wgo n ASP 75 Ca 0.10 -2.66 0.13 0.00 -1.51 0.00 0.00 54.79 50.85 2wgo n ASP 75 Cb 0.49 -1.10 0.44 0.00 2.34 0.00 0.00 41.12 43.28 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 6.24 0.00 0.00 5.18 0.24 -1.25 0.10 118.33 128.84 2wgo n VAL 76 Ca 0.49 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.66 2wgo n VAL 76 Cb 0.41 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 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 -0.60 0.00 -3.91 -1.34 -0.08 -1.26 -4.01 116.55 105.34 2wgo n ASP 77 Ca 0.13 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.26 2wgo n ASP 77 Cb 0.34 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.65 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 0.27 -1.50 5.18 0.11 -1.26 -4.75 120.40 118.45 2wgo s VAL 78 Ca 0.00 -0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 58.84 2wgo s VAL 78 Cb 0.00 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.60 2wgo s VAL 78 CO 0.00 0.09 2.60 -0.81 -3.33 0.00 0.00 175.10 173.65 2wgo n PRO 79 N 3.18 3.73 -3.72 1.54 -0.04 -1.26 -4.07 135.00 134.35 2wgo n PRO 79 Ca -0.15 -2.67 -0.13 0.00 -0.04 0.00 0.00 63.50 60.51 2wgo n PRO 79 Cb 0.57 -2.87 -0.14 0.00 -0.04 0.00 0.00 33.50 31.03 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 1.49 0.15 -0.75 0.54 1.02 -1.26 -2.99 119.74 117.93 2wgo s LYS 80 Ca 0.59 0.50 -0.26 0.00 0.02 0.00 0.00 55.97 56.83 2wgo s LYS 80 Cb 0.17 -0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 2wgo s LYS 80 CO -0.07 -0.19 1.86 -1.64 -0.92 0.00 0.00 175.35 174.39 2wgo s MET 81 N 1.42 2.66 0.22 1.68 -1.94 -1.26 -4.08 119.30 118.00 2wgo s MET 81 Ca -0.07 0.15 -0.09 0.00 -1.71 0.00 0.00 55.69 53.97 2wgo s MET 81 Cb -0.11 -4.69 0.18 0.00 2.01 0.00 0.00 34.83 32.23 2wgo s MET 81 CO -0.07 -2.95 1.87 -0.24 -0.01 0.00 0.00 175.02 173.62 2wgo h VAL 82 N 7.00 1.22 -0.84 -6.03 3.04 -1.81 -3.14 116.25 115.69 2wgo h VAL 82 Ca -0.10 -0.46 -0.43 0.00 -1.01 0.00 0.00 66.70 64.69 2wgo h VAL 82 Cb 1.09 0.05 -0.16 0.00 -2.01 0.00 0.00 31.29 30.26 2wgo h VAL 82 CO 1.23 0.23 0.33 0.61 -1.01 0.00 0.00 177.57 178.95 2wgo n GLY 83 N -1.25 4.18 1.85 3.17 0.00 0.16 -4.55 105.19 108.75 2wgo n GLY 83 Ca 0.08 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 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 0.90 1.66 -0.05 1.61 1.85 -1.19 -0.82 116.66 120.62 2wgo n ARG 84 Ca 0.44 -0.81 -0.02 0.00 -1.00 0.00 0.00 57.85 56.47 2wgo n ARG 84 Cb 0.59 -1.62 -0.12 0.00 -1.05 0.00 0.00 32.46 30.26 2wgo n ARG 84 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2wgo n LYS 85 N 1.81 1.14 -0.89 2.89 4.81 -1.26 -5.06 118.16 121.59 2wgo n LYS 85 Ca 0.27 -0.06 0.12 0.00 -0.87 0.00 0.00 58.31 57.77 2wgo n LYS 85 Cb 0.70 -1.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.33 2wgo n LYS 85 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wgo n ARG 87 N -3.04 0.09 -0.06 0.00 0.63 0.05 -4.54 116.66 109.79 2wgo n ARG 87 Ca 0.01 -0.74 -0.03 0.00 -0.92 0.00 0.00 57.85 56.17 2wgo n ARG 87 Cb 0.41 0.15 -0.02 0.00 0.45 0.00 0.00 32.46 33.45 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 4.05 0.00 0.00 -0.14 3.64 -1.79 -3.41 116.57 118.92 2wgo h LYS 88 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wgo h LYS 88 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wgo h LYS 88 CO -0.12 0.12 0.00 -3.47 -2.27 0.00 0.00 179.45 173.71 2wgo n ASP 89 N -4.73 1.22 -4.70 4.20 2.03 -1.26 -4.80 116.55 108.51 2wgo n ASP 89 Ca -0.03 -1.41 -0.30 0.00 0.52 0.00 0.00 54.79 53.56 2wgo n ASP 89 Cb 0.10 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 40.64 2wgo n ASP 89 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2wgo s ASP 90 N -0.41 3.42 0.00 1.67 1.01 -1.26 -5.06 116.67 116.03 2wgo s ASP 90 Ca 0.00 1.77 0.00 0.00 0.71 0.00 0.00 52.55 55.03 2wgo s ASP 90 Cb 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.54 2wgo s ASP 90 CO 0.00 -2.72 0.00 -0.67 0.21 0.00 0.00 175.17 171.99 2wgo n ASP 91 N -3.96 0.00 -4.60 0.27 2.03 -1.26 -4.98 116.55 104.05 2wgo n ASP 91 Ca 0.08 -0.02 -0.43 0.00 0.52 0.00 0.00 54.79 54.94 2wgo n ASP 91 Cb 0.54 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 2wgo n ASP 91 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 92 N -1.00 5.98 -0.07 1.67 -1.08 -1.26 -4.98 116.67 115.92 2wgo s ASP 92 Ca 0.00 1.24 0.02 0.00 -0.52 0.00 0.00 52.55 53.28 2wgo s ASP 92 Cb 0.00 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 2wgo s ASP 92 CO 0.00 -1.65 -0.11 -1.81 0.52 0.00 0.00 175.17 172.11 2wgo s ASP 93 N 5.69 4.25 -0.19 -0.34 1.01 -1.26 -5.02 116.67 120.81 2wgo s ASP 93 Ca 0.77 -0.16 -0.15 0.00 0.71 0.00 0.00 52.55 53.72 2wgo s ASP 93 Cb -0.21 -1.12 -0.09 0.00 1.01 0.00 0.00 42.92 42.51 2wgo s ASP 93 CO 0.34 0.31 -0.15 -0.67 0.21 0.00 0.00 175.17 175.21 2wgo n ASP 94 N 2.54 1.87 -4.79 0.27 -0.08 -1.26 -4.91 116.55 110.20 2wgo n ASP 94 Ca -0.18 0.47 -0.39 0.00 -1.51 0.00 0.00 54.79 53.19 2wgo n ASP 94 Cb 0.52 -0.86 -0.06 0.00 2.34 0.00 0.00 41.12 43.07 2wgo n ASP 94 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2wgo s GLY 95 N -4.74 2.60 0.00 0.27 0.00 -1.26 -5.09 107.32 99.10 2wgo s GLY 95 Ca -0.25 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.50 2wgo s GLY 95 CO 0.40 0.56 0.64 -1.72 0.00 0.00 0.00 173.10 172.97