#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 4.81 -0.25 1.61 0.15 -0.13 -4.68 113.70 115.22 2wgo s SER 0 Ca 0.00 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.49 2wgo s SER 0 Cb 0.00 -1.81 0.07 0.00 -1.71 0.00 0.00 66.02 62.57 2wgo s SER 0 CO 0.00 0.11 -0.03 -1.48 1.20 0.00 0.00 173.24 173.04 2wgo s LEU 1 N 0.72 2.70 0.00 3.45 2.34 -1.26 -4.48 118.68 122.14 2wgo s LEU 1 Ca -0.01 -1.28 0.00 0.00 0.06 0.00 0.00 54.13 52.91 2wgo s LEU 1 Cb -0.14 -1.19 0.00 0.00 -0.56 0.00 0.00 46.19 44.30 2wgo s LEU 1 CO 0.02 -0.26 0.00 0.00 -1.06 0.00 0.00 176.35 175.05 2wgo n ILE 2 N 4.66 0.00 -0.04 1.48 0.13 -1.26 -4.95 119.36 119.38 2wgo n ILE 2 Ca -0.10 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 2wgo n ILE 2 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.24 2wgo n ILE 2 CO 0.00 0.00 0.00 -0.11 2.80 0.00 0.00 176.55 179.24 2wgo n LEU 3 N 0.00 0.00 0.00 9.51 7.94 -1.26 -4.88 117.00 128.31 2wgo n LEU 3 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wgo n LEU 3 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2wgo n LEU 3 CO 0.00 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 176.75 2wgo n ASP 4 N 0.00 -4.95 -0.56 1.96 8.00 -1.14 -0.33 116.55 119.54 2wgo n ASP 4 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2wgo n ASP 4 Cb 0.00 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.12 38.42 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 -0.17 0.92 0.10 0.44 0.00 0.12 -4.70 105.19 101.90 2wgo n GLY 5 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 0.37 1.62 -1.65 1.61 -0.08 0.55 -4.37 116.55 114.60 2wgo n ASP 6 Ca -0.07 -0.06 -0.00 0.00 -1.51 0.00 0.00 54.79 53.14 2wgo n ASP 6 Cb 0.28 0.26 -0.00 0.00 2.34 0.00 0.00 41.12 43.99 2wgo n ASP 6 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2wgo n LEU 7 N -2.89 -4.10 -4.14 -2.67 4.32 -1.11 -4.97 117.00 101.44 2wgo n LEU 7 Ca -0.33 1.28 -0.38 0.00 -0.02 0.00 0.00 56.01 56.55 2wgo n LEU 7 Cb 0.97 -2.03 -0.07 0.00 -1.62 0.00 0.00 43.42 40.67 2wgo n LEU 7 CO 0.28 -1.39 0.18 -0.22 -1.22 0.00 0.00 177.39 175.02 2wgo s LEU 8 N -0.28 5.59 -0.07 2.23 2.96 -1.26 -4.92 118.68 122.94 2wgo s LEU 8 Ca -0.01 -3.00 0.13 0.00 -0.22 0.00 0.00 54.13 51.03 2wgo s LEU 8 Cb 0.00 -1.94 0.49 0.00 0.50 0.00 0.00 46.19 45.24 2wgo s LEU 8 CO 0.04 -0.37 1.36 2.29 -1.32 0.00 0.00 176.35 178.34 2wgo n LYS 9 N 3.35 2.79 -0.01 1.98 2.85 -1.26 -3.73 118.16 124.13 2wgo n LYS 9 Ca 0.12 -1.94 -0.08 0.00 -1.05 0.00 0.00 58.31 55.36 2wgo n LYS 9 Cb 0.39 -1.66 -0.13 0.00 -0.65 0.00 0.00 35.03 32.98 2wgo n LYS 9 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2wgo h ASP 10 N 2.82 0.00 1.56 -5.58 1.82 -2.00 -3.36 116.42 111.68 2wgo h ASP 10 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2wgo h ASP 10 Cb 1.03 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.03 2wgo h ASP 10 CO 0.14 0.97 -0.45 0.07 -1.61 0.00 0.00 179.24 178.37 2wgo h LYS 11 N 0.00 0.00 -1.83 0.28 5.09 -2.01 -3.36 116.57 114.73 2wgo h LYS 11 Ca -0.24 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.16 2wgo h LYS 11 Cb 1.95 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 34.15 2wgo h LYS 11 CO 0.08 0.08 0.24 1.47 -2.09 0.00 0.00 179.45 179.23 2wgo n LEU 12 N -2.98 6.17 -0.61 7.07 -0.00 -1.26 -4.08 117.00 121.31 2wgo n LEU 12 Ca 0.02 -3.50 0.07 0.00 -0.00 0.00 0.00 56.01 52.60 2wgo n LEU 12 Cb 0.58 -1.19 0.21 0.00 -0.00 0.00 0.00 43.42 43.01 2wgo n LEU 12 CO 0.37 1.48 0.64 0.29 -0.00 0.00 0.00 177.39 180.17 2wgo n LYS 13 N 1.02 2.11 -3.19 1.47 5.02 -1.26 -4.83 118.16 118.50 2wgo n LYS 13 Ca 0.37 -2.82 -0.29 0.00 -2.02 0.00 0.00 58.31 53.54 2wgo n LYS 13 Cb 0.62 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wgo s LEU 14 N -2.93 3.99 0.00 -0.35 1.43 -1.26 -5.10 118.68 114.45 2wgo s LEU 14 Ca 0.39 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2wgo s LEU 14 Cb 0.33 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2wgo s LEU 14 CO 0.05 -0.26 0.00 -0.81 0.23 0.00 0.00 176.35 175.56 2wgo n PRO 15 N -1.06 2.27 -1.51 1.29 -0.04 -1.26 -4.81 135.00 129.87 2wgo n PRO 15 Ca -0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 2wgo n PRO 15 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 2wgo n PRO 15 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2wgo n VAL 16 N -0.08 0.20 -2.59 0.52 3.14 -1.26 -4.67 118.33 113.59 2wgo n VAL 16 Ca 0.00 -0.39 -0.34 0.00 -2.96 0.00 0.00 64.34 60.65 2wgo n VAL 16 Cb 0.00 -2.06 -0.04 0.00 -1.06 0.00 0.00 33.84 30.68 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 8.37 3.88 0.34 1.55 1.01 0.34 -4.83 121.20 131.85 2wgo s ILE 17 Ca 1.06 1.20 -0.28 0.00 0.00 0.00 0.00 60.65 62.63 2wgo s ILE 17 Cb -0.61 -3.50 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 2wgo s ILE 17 CO 0.41 -0.23 1.33 -0.67 0.00 0.00 0.00 174.94 175.78 2wgo n ASP 18 N -0.81 2.91 0.30 3.58 -0.08 -1.26 -3.03 116.55 118.16 2wgo n ASP 18 Ca 0.08 1.21 0.16 0.00 -1.51 0.00 0.00 54.79 54.73 2wgo n ASP 18 Cb 0.52 -1.50 0.95 0.00 2.34 0.00 0.00 41.12 43.43 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 2.72 0.00 -0.33 1.67 -0.00 -1.92 -0.76 115.58 116.96 2wgo h ASN 19 Ca -0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 55.66 2wgo h ASN 19 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.59 2wgo h ASN 19 CO 0.64 0.01 -0.46 0.25 -0.00 0.00 0.00 177.43 177.87 2wgo h LEU 20 N 0.00 0.98 -0.54 6.14 7.12 -1.97 -1.45 115.31 125.59 2wgo h LEU 20 Ca -0.00 -0.48 -0.02 0.00 0.13 0.00 0.00 57.88 57.51 2wgo h LEU 20 Cb 0.02 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 39.85 2wgo h LEU 20 CO 0.00 1.28 0.27 0.15 -0.13 0.00 0.00 178.44 180.01 2wgo h PHE 21 N 0.71 0.75 0.00 1.25 3.04 -1.49 0.27 116.94 121.47 2wgo h PHE 21 Ca 0.04 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.88 2wgo h PHE 21 Cb 1.06 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 2wgo h PHE 21 CO 0.07 0.57 -0.37 0.78 -2.02 0.00 0.00 178.31 177.33 2wgo h GLY 22 N 0.72 0.00 1.36 2.40 0.00 -1.48 -1.42 103.07 104.65 2wgo h GLY 22 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 2wgo h GLY 22 CO -0.03 0.00 -0.44 1.70 0.00 0.00 0.00 176.54 177.78 2wgo h LYS 23 N 0.00 0.69 -0.26 4.80 1.63 -0.22 0.06 116.57 123.27 2wgo h LYS 23 Ca -0.00 -0.38 0.01 0.00 -0.85 0.00 0.00 60.65 59.43 2wgo h LYS 23 Cb 0.68 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 2wgo h LYS 23 CO 0.05 0.99 0.14 0.93 -3.45 0.00 0.00 179.45 178.11 2wgo h GLU 24 N 0.56 0.29 0.01 1.90 4.39 0.01 0.43 114.58 122.18 2wgo h GLU 24 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2wgo h GLU 24 Cb 0.98 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 2wgo h GLU 24 CO 0.09 0.19 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.92 2wgo h LEU 25 N 0.30 -0.44 -1.98 1.33 4.07 -1.01 -0.08 115.31 117.50 2wgo h LEU 25 Ca 0.10 0.05 0.28 0.00 0.08 0.00 0.00 57.88 58.39 2wgo h LEU 25 Cb 0.01 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 2wgo h LEU 25 CO -0.06 -0.14 0.69 -0.07 -1.08 0.00 0.00 178.44 177.78 2wgo h LEU 26 N -0.19 0.01 -0.04 1.67 3.38 -0.84 0.22 115.31 119.52 2wgo h LEU 26 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2wgo h LEU 26 Cb 0.20 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2wgo h LEU 26 CO -0.09 0.00 -0.37 -0.78 0.09 0.00 0.00 178.44 177.29 2wgo h ASP 27 N 0.01 0.41 -0.21 -0.43 3.58 0.32 -0.19 116.42 119.92 2wgo h ASP 27 Ca 0.46 -0.69 -0.03 0.00 0.42 0.00 0.00 57.03 57.19 2wgo h ASP 27 Cb 1.82 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 2wgo h ASP 27 CO -0.01 1.04 0.01 0.11 -2.88 0.00 0.00 179.24 177.50 2wgo h LYS 28 N -0.19 0.36 -0.53 0.28 1.57 0.51 -3.02 116.57 115.54 2wgo h LYS 28 Ca -0.03 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2wgo h LYS 28 Cb 1.05 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2wgo h LYS 28 CO 0.08 0.54 0.00 1.19 -0.57 0.00 0.00 179.45 180.68 2wgo n PHE 29 N -4.70 0.77 0.01 -1.35 0.99 0.63 -4.30 117.46 109.51 2wgo n PHE 29 Ca -0.04 -0.32 -0.10 0.00 -0.00 0.00 0.00 57.45 56.99 2wgo n PHE 29 Cb 0.22 -0.11 -0.04 0.00 -1.00 0.00 0.00 39.48 38.55 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 2.41 -0.15 -0.14 -1.08 4.15 -0.89 0.35 115.11 119.77 2wgo h GLN 30 Ca 0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2wgo h GLN 30 Cb 0.82 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.54 2wgo h GLN 30 CO 0.09 -0.10 0.00 -0.25 -1.93 0.00 0.00 178.83 176.64 2wgo n ASP 31 N -5.26 0.27 -0.11 -0.69 9.92 -1.26 0.58 116.55 120.00 2wgo n ASP 31 Ca -0.04 -2.00 -0.19 0.00 -0.53 0.00 0.00 54.79 52.03 2wgo n ASP 31 Cb 0.18 -0.08 -0.10 0.00 -0.64 0.00 0.00 41.12 40.49 2wgo n ASP 31 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2wgo n ASP 32 N -0.37 2.04 -0.13 -2.24 2.03 -0.09 -3.29 116.55 114.50 2wgo n ASP 32 Ca 0.01 0.04 -0.08 0.00 0.52 0.00 0.00 54.79 55.29 2wgo n ASP 32 Cb 0.05 -0.49 0.08 0.00 -0.72 0.00 0.00 41.12 40.05 2wgo n ASP 32 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2wgo h ILE 33 N -0.34 1.26 0.00 5.18 2.04 -0.01 0.14 117.51 125.79 2wgo h ILE 33 Ca -0.54 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.03 2wgo h ILE 33 Cb 1.67 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2wgo h ILE 33 CO -0.19 0.43 -0.56 0.50 0.00 0.00 0.00 178.15 178.33 2wgo h LYS 34 N 0.78 0.00 0.31 2.37 3.64 0.14 0.17 116.57 123.97 2wgo h LYS 34 Ca 0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2wgo h LYS 34 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2wgo h LYS 34 CO 0.04 0.23 -0.15 0.22 -2.27 0.00 0.00 179.45 177.53 2wgo h ASP 35 N 0.00 -0.35 0.04 4.20 1.82 -1.49 -1.69 116.42 118.95 2wgo h ASP 35 Ca -0.03 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.42 2wgo h ASP 35 Cb 1.23 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.33 2wgo h ASP 35 CO 0.03 0.06 -0.02 0.11 -1.61 0.00 0.00 179.24 177.81 2wgo h LYS 36 N -0.84 -0.05 -0.00 0.28 1.57 -0.73 -3.38 116.57 113.41 2wgo h LYS 36 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2wgo h LYS 36 Cb 0.52 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2wgo h LYS 36 CO 0.07 0.41 -0.11 0.66 -0.57 0.00 0.00 179.45 179.91 2wgo n TYR 37 N -4.89 0.00 -2.18 -1.35 4.01 0.55 -5.00 117.16 108.31 2wgo n TYR 37 Ca -0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 2wgo n TYR 37 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.77 -0.05 3.90 2.72 0.00 -0.63 -4.93 105.19 106.97 2wgo n GLY 38 Ca 0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.62 5.30 -0.20 1.61 1.01 -1.20 -4.89 120.40 119.41 2wgo s VAL 39 Ca 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 2wgo s VAL 39 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2wgo s VAL 39 CO 0.00 0.21 0.08 -0.62 0.00 0.00 0.00 175.10 174.77 2wgo s ASP 40 N -2.15 5.67 0.25 3.32 2.15 -1.26 -3.34 116.67 121.31 2wgo s ASP 40 Ca 0.33 0.05 0.22 0.00 0.43 0.00 0.00 52.55 53.59 2wgo s ASP 40 Cb -0.13 -1.99 0.07 0.00 -0.30 0.00 0.00 42.92 40.57 2wgo s ASP 40 CO 0.22 0.12 1.16 0.71 -0.17 0.00 0.00 175.17 177.21 2wgo h THR 41 N 4.99 0.01 -0.48 1.71 1.35 -1.89 -3.26 112.91 115.34 2wgo h THR 41 Ca -0.37 -1.02 -0.13 0.00 -0.55 0.00 0.00 66.41 64.33 2wgo h THR 41 Cb 1.17 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 2wgo h THR 41 CO 0.68 0.01 -0.22 0.50 -0.25 0.00 0.00 175.52 176.23 2wgo h LYS 42 N 0.00 0.98 0.00 4.72 3.64 -1.94 -2.67 116.57 121.30 2wgo h LYS 42 Ca -0.00 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2wgo h LYS 42 Cb 1.01 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2wgo h LYS 42 CO 0.00 1.10 -0.05 0.22 -2.27 0.00 0.00 179.45 178.45 2wgo h ASP 43 N 0.85 0.00 -4.09 4.20 3.58 -1.99 -3.44 116.42 115.53 2wgo h ASP 43 Ca 0.11 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 57.06 2wgo h ASP 43 Cb 0.80 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.92 2wgo h ASP 43 CO 0.07 0.05 0.44 -0.76 -2.88 0.00 0.00 179.24 176.15 2wgo s LEU 44 N -8.67 3.75 -0.20 2.28 1.43 -1.01 -4.98 118.68 111.28 2wgo s LEU 44 Ca -0.05 2.19 -0.02 0.00 -1.03 0.00 0.00 54.13 55.23 2wgo s LEU 44 Cb 0.16 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.81 2wgo s LEU 44 CO 0.65 -1.23 -0.11 -0.75 0.23 0.00 0.00 176.35 175.14 2wgo s LYS 45 N -3.28 3.24 -0.00 1.70 2.20 -1.20 -5.00 119.74 117.41 2wgo s LYS 45 Ca 0.73 -0.70 -0.25 0.00 -0.36 0.00 0.00 55.97 55.38 2wgo s LYS 45 Cb -0.24 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2wgo s LYS 45 CO 0.27 -0.16 0.78 0.42 -0.36 0.00 0.00 175.35 176.30 2wgo s ILE 46 N 1.29 4.86 -0.23 5.43 1.01 -1.26 -0.12 121.20 132.17 2wgo s ILE 46 Ca 0.03 1.63 -0.14 0.00 0.00 0.00 0.00 60.65 62.18 2wgo s ILE 46 Cb -0.14 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 2wgo s ILE 46 CO -0.05 0.29 -0.33 0.18 0.00 0.00 0.00 174.94 175.03 2wgo n LEU 47 N 3.31 1.80 -3.57 2.97 4.77 0.19 -4.92 117.00 121.56 2wgo n LEU 47 Ca -0.01 0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2wgo n LEU 47 Cb 0.51 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 2wgo n LEU 47 CO 0.48 0.36 -0.16 -0.75 -1.33 0.00 0.00 177.39 175.98 2wgo s LYS 48 N -2.54 0.17 0.02 3.23 2.20 -0.80 -4.95 119.74 117.06 2wgo s LYS 48 Ca -0.34 0.51 -0.17 0.00 -0.36 0.00 0.00 55.97 55.61 2wgo s LYS 48 Cb 0.12 -0.54 -0.06 0.00 -1.51 0.00 0.00 37.83 35.84 2wgo s LYS 48 CO 0.44 -0.46 0.48 0.99 -0.36 0.00 0.00 175.35 176.43 2wgo s THR 49 N 2.39 4.93 0.21 3.43 2.01 -1.17 0.14 115.64 127.59 2wgo s THR 49 Ca 0.05 1.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.98 2wgo s THR 49 Cb -0.14 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.60 2wgo s THR 49 CO -0.10 0.55 0.40 -1.20 -0.69 0.00 0.00 174.62 173.57 2wgo n SER 50 N 1.96 -1.15 -3.54 3.53 7.64 0.71 0.13 113.62 122.90 2wgo n SER 50 Ca -0.12 -1.92 -0.14 0.00 1.01 0.00 0.00 58.87 57.70 2wgo n SER 50 Cb 0.52 1.95 -0.05 0.00 -1.01 0.00 0.00 64.21 65.61 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 -2.14 0.88 0.00 1.43 -1.05 -1.26 -0.25 118.70 116.31 2wgo s GLU 51 Ca 0.10 0.16 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 2wgo s GLU 51 Cb -0.02 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 2wgo s GLU 51 CO 0.08 -0.28 0.00 -3.47 0.95 0.00 0.00 175.26 172.53 2wgo n ASP 52 N 0.74 0.00 0.00 0.83 -0.08 0.55 -4.87 116.55 113.72 2wgo n ASP 52 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 2wgo n ASP 52 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 0.00 0.00 -0.20 -0.67 4.01 -1.26 -4.03 118.16 116.01 2wgo n LYS 53 Ca 0.00 0.47 0.04 0.00 -0.51 0.00 0.00 58.31 58.31 2wgo n LYS 53 Cb 0.00 -1.14 0.13 0.00 -0.51 0.00 0.00 35.03 33.51 2wgo n LYS 53 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2wgo n ARG 54 N -1.91 1.90 -3.86 1.97 1.74 -1.26 -4.88 116.66 110.37 2wgo n ARG 54 Ca 0.00 -1.02 -0.11 0.00 -0.77 0.00 0.00 57.85 55.95 2wgo n ARG 54 Cb 0.00 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.64 0.05 0.04 -1.55 0.08 -1.26 -0.53 117.98 113.17 2wgo s PHE 55 Ca 0.18 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.07 2wgo s PHE 55 Cb 0.11 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 2wgo s PHE 55 CO 0.10 -0.35 0.00 0.71 -0.10 0.00 0.00 175.22 175.58 2wgo s TYR 56 N -1.93 3.04 -0.36 0.36 1.51 0.16 -0.33 117.35 119.80 2wgo s TYR 56 Ca -0.10 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 2wgo s TYR 56 Cb -0.04 -1.61 0.12 0.00 -0.11 0.00 0.00 41.96 40.31 2wgo s TYR 56 CO -0.01 0.47 0.15 0.71 -1.11 0.00 0.00 175.55 175.76 2wgo s TYR 57 N -1.19 1.94 -0.55 2.71 2.02 0.66 -1.22 117.35 121.72 2wgo s TYR 57 Ca 0.22 -2.10 -0.11 0.00 -0.37 0.00 0.00 57.07 54.71 2wgo s TYR 57 Cb -0.12 -1.85 0.14 0.00 -0.40 0.00 0.00 41.96 39.73 2wgo s TYR 57 CO 0.14 -0.84 0.45 0.08 -1.57 0.00 0.00 175.55 173.81 2wgo s VAL 58 N 1.05 4.61 -0.23 0.71 1.01 -0.07 -0.21 120.40 127.26 2wgo s VAL 58 Ca 0.13 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.90 2wgo s VAL 58 Cb -0.20 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2wgo s VAL 58 CO -0.13 -0.85 1.67 -0.55 0.00 0.00 0.00 175.10 175.24 2wgo s SER 59 N 2.64 6.28 0.11 3.32 0.15 0.12 0.42 113.70 126.74 2wgo s SER 59 Ca 0.08 1.59 0.06 0.00 0.70 0.00 0.00 55.95 58.38 2wgo s SER 59 Cb -0.24 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.50 2wgo s SER 59 CO -0.01 -1.34 -0.15 0.68 1.20 0.00 0.00 173.24 173.61 2wgo s VAL 60 N 5.53 1.31 -0.34 4.45 -7.23 0.15 0.54 120.40 124.80 2wgo s VAL 60 Ca 0.74 -1.59 -0.25 0.00 -1.81 0.00 0.00 61.98 59.06 2wgo s VAL 60 Cb -0.25 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.29 2wgo s VAL 60 CO 0.30 -0.33 0.90 -0.62 -0.31 0.00 0.00 175.10 175.05 2wgo s ASP 61 N -2.21 6.71 0.22 4.85 -1.08 0.83 -1.12 116.67 124.87 2wgo s ASP 61 Ca 0.06 0.67 0.25 0.00 -0.52 0.00 0.00 52.55 53.00 2wgo s ASP 61 Cb -0.07 -2.45 0.90 0.00 -1.46 0.00 0.00 42.92 39.84 2wgo s ASP 61 CO 0.03 -0.78 1.75 0.00 0.52 0.00 0.00 175.17 176.69 2wgo n ALA 62 N 6.59 1.99 0.00 3.66 0.00 -0.84 -3.20 120.51 128.71 2wgo n ALA 62 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wgo n ALA 62 Cb 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.70 1.08 0.33 0.00 0.00 -1.26 -4.65 105.19 101.38 2wgo n GLY 63 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 0.01 0.00 1.61 1.82 -2.01 -3.44 116.42 114.41 2wgo h ASP 64 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2wgo h ASP 64 Cb 0.00 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2wgo h ASP 64 CO 0.00 0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 2wgo n GLY 65 N -1.59 0.65 3.89 -0.78 0.00 -1.26 -5.15 105.19 100.96 2wgo n GLY 65 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 2.78 -0.24 1.61 -1.05 -1.26 -4.94 118.70 115.59 2wgo s GLU 66 Ca 0.00 -1.27 -0.04 0.00 -0.15 0.00 0.00 54.97 53.51 2wgo s GLU 66 Cb 0.00 -2.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.15 2wgo s GLU 66 CO 0.00 0.02 -0.02 0.21 0.95 0.00 0.00 175.26 176.42 2wgo s LYS 67 N -4.07 3.18 -0.27 -4.83 2.20 -1.26 -1.98 119.74 112.70 2wgo s LYS 67 Ca 0.44 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 55.24 2wgo s LYS 67 Cb -0.06 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2wgo s LYS 67 CO 0.28 -0.30 0.01 0.00 -0.36 0.00 0.00 175.35 174.98 2wgo s LYS 69 N 1.41 3.83 -0.32 0.00 2.20 0.66 0.32 119.74 127.84 2wgo s LYS 69 Ca 0.01 -2.11 -0.39 0.00 -0.36 0.00 0.00 55.97 53.12 2wgo s LYS 69 Cb -0.17 -5.02 -0.15 0.00 -1.51 0.00 0.00 37.83 30.98 2wgo s LYS 69 CO -0.01 -1.81 1.91 1.19 -0.36 0.00 0.00 175.35 176.27 2wgo n PHE 70 N 6.32 1.84 -2.72 4.03 3.01 0.17 -0.35 117.46 129.76 2wgo n PHE 70 Ca 0.31 0.49 -0.43 0.00 1.01 0.00 0.00 57.45 58.84 2wgo n PHE 70 Cb 0.46 -2.46 0.01 0.00 -0.01 0.00 0.00 39.48 37.48 2wgo n PHE 70 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2wgo n LYS 71 N 6.37 4.16 -2.28 -1.08 4.81 -0.59 -0.90 118.16 128.66 2wgo n LYS 71 Ca 0.33 -4.14 -0.34 0.00 -0.87 0.00 0.00 58.31 53.30 2wgo n LYS 71 Cb 0.14 -2.68 -0.04 0.00 0.02 0.00 0.00 35.03 32.47 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 -1.55 3.65 -0.25 3.15 1.01 -0.36 -2.44 121.20 124.41 2wgo s ILE 72 Ca 0.35 -0.42 -0.37 0.00 0.00 0.00 0.00 60.65 60.21 2wgo s ILE 72 Cb 0.07 -4.48 -0.14 0.00 0.01 0.00 0.00 42.46 37.93 2wgo s ILE 72 CO 0.06 -1.40 1.90 -1.14 0.00 0.00 0.00 174.94 174.36 2wgo n ARG 73 N 8.94 1.40 -0.55 2.79 0.63 -1.26 0.39 116.66 129.00 2wgo n ARG 73 Ca 0.33 0.49 -0.29 0.00 -0.92 0.00 0.00 57.85 57.45 2wgo n ARG 73 Cb 0.49 -2.34 0.23 0.00 0.45 0.00 0.00 32.46 31.29 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 6.47 -1.84 -1.44 -0.14 5.02 0.31 -3.99 118.16 122.55 2wgo n LYS 74 Ca 0.29 -0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 55.74 2wgo n LYS 74 Cb 0.20 -2.20 -0.07 0.00 -0.02 0.00 0.00 35.03 32.93 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 -4.54 2.39 -4.25 4.39 4.64 -1.26 -4.56 116.55 113.36 2wgo n ASP 75 Ca 0.05 -2.64 -0.43 0.00 -1.38 0.00 0.00 54.79 50.39 2wgo n ASP 75 Cb 0.54 -1.33 -0.06 0.00 -1.04 0.00 0.00 41.12 39.24 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2wgo s VAL 76 N 8.83 4.80 0.00 5.18 -7.23 -1.26 0.12 120.40 130.83 2wgo s VAL 76 Ca 0.66 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2wgo s VAL 76 Cb 0.07 -4.06 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2wgo s VAL 76 CO 0.17 -0.91 0.00 -0.67 -0.31 0.00 0.00 175.10 173.38 2wgo n ASP 77 N 4.33 0.00 -4.78 4.85 2.03 -1.26 -4.79 116.55 116.93 2wgo n ASP 77 Ca 0.02 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.98 2wgo n ASP 77 Cb 0.42 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.75 2wgo n ASP 77 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2wgo s VAL 78 N 0.00 4.87 -1.07 5.18 -7.23 -1.26 -4.76 120.40 116.12 2wgo s VAL 78 Ca 0.00 -0.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.89 2wgo s VAL 78 Cb 0.00 -3.13 0.18 0.00 0.56 0.00 0.00 36.38 33.99 2wgo s VAL 78 CO 0.00 0.54 1.23 -2.16 -0.31 0.00 0.00 175.10 174.40 2wgo s PRO 79 N -1.18 3.90 -0.06 4.82 0.04 -1.26 -4.40 135.00 136.85 2wgo s PRO 79 Ca 0.17 -2.39 -0.29 0.00 0.04 0.00 0.00 61.00 58.53 2wgo s PRO 79 Cb -0.12 -4.89 0.10 0.00 0.04 0.00 0.00 34.50 29.63 2wgo s PRO 79 CO 0.06 -1.66 0.86 0.15 0.04 0.00 0.00 177.00 176.45 2wgo s LYS 80 N 1.45 0.82 -0.21 4.56 1.02 -1.26 -0.95 119.74 125.18 2wgo s LYS 80 Ca 0.36 0.00 -0.27 0.00 0.02 0.00 0.00 55.97 56.08 2wgo s LYS 80 Cb -0.05 0.39 -0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2wgo s LYS 80 CO -0.05 -0.30 0.94 1.41 -0.92 0.00 0.00 175.35 176.43 2wgo s MET 81 N -1.89 4.27 0.26 1.68 -2.45 -1.26 -4.18 119.30 115.72 2wgo s MET 81 Ca -0.02 1.18 -0.05 0.00 -1.25 0.00 0.00 55.69 55.55 2wgo s MET 81 Cb -0.01 -3.62 0.29 0.00 1.25 0.00 0.00 34.83 32.75 2wgo s MET 81 CO -0.00 -0.50 1.90 -0.24 1.05 0.00 0.00 175.02 177.23 2wgo h VAL 82 N 5.35 1.25 0.00 10.11 3.04 -1.79 -3.44 116.25 130.77 2wgo h VAL 82 Ca -0.24 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2wgo h VAL 82 Cb 1.09 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2wgo h VAL 82 CO 0.91 0.26 0.00 0.61 -1.01 0.00 0.00 177.57 178.34 2wgo n GLY 83 N -1.25 -0.73 3.25 3.17 0.00 -1.02 -4.39 105.19 104.22 2wgo n GLY 83 Ca 0.10 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2wgo n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wgo s ARG 84 N -0.11 0.35 -0.74 1.61 0.52 -1.26 -1.54 118.95 117.78 2wgo s ARG 84 Ca 0.00 0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 56.02 2wgo s ARG 84 Cb 0.00 0.11 -0.14 0.00 0.52 0.00 0.00 34.95 35.44 2wgo s ARG 84 CO 0.00 -0.20 2.80 1.17 0.02 0.00 0.00 175.30 179.09 2wgo n LYS 85 N 4.74 2.40 0.00 3.54 3.00 0.53 -4.75 118.16 127.62 2wgo n LYS 85 Ca -0.17 -1.41 0.00 0.00 -0.00 0.00 0.00 58.31 56.73 2wgo n LYS 85 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.24 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 -0.64 -3.28 0.33 0.00 1.74 -1.26 -4.78 116.66 108.77 2wgo n ARG 87 Ca 0.00 2.62 0.21 0.00 -0.77 0.00 0.00 57.85 59.91 2wgo n ARG 87 Cb 0.00 -4.14 1.10 0.00 -1.02 0.00 0.00 32.46 28.40 2wgo n ARG 87 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2wgo h LYS 88 N 2.89 0.00 0.00 5.56 3.64 -1.90 -3.42 116.57 123.33 2wgo h LYS 88 Ca -0.33 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 2wgo h LYS 88 Cb 0.74 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2wgo h LYS 88 CO 0.02 0.00 -0.03 -0.25 -2.27 0.00 0.00 179.45 176.92 2wgo n ASP 89 N -3.12 1.66 -4.56 4.20 8.00 -1.26 -4.88 116.55 116.59 2wgo n ASP 89 Ca -0.03 -1.15 -0.29 0.00 0.71 0.00 0.00 54.79 54.03 2wgo n ASP 89 Cb 0.15 0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 2wgo n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2wgo s ASP 90 N -1.19 5.26 -0.01 -2.24 1.01 -1.26 -4.48 116.67 113.76 2wgo s ASP 90 Ca 0.01 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 52.64 2wgo s ASP 90 Cb 0.00 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.39 2wgo s ASP 90 CO 0.00 -2.62 0.74 -0.67 0.21 0.00 0.00 175.17 172.83 2wgo n ASP 91 N 13.48 0.32 -4.94 0.27 -0.08 -1.26 -5.09 116.55 119.25 2wgo n ASP 91 Ca 0.38 -1.52 -0.20 0.00 -1.51 0.00 0.00 54.79 51.94 2wgo n ASP 91 Cb 0.48 -0.08 0.05 0.00 2.34 0.00 0.00 41.12 43.90 2wgo n ASP 91 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2wgo s ASP 92 N -0.56 5.15 0.00 1.67 1.47 -1.26 -5.05 116.67 118.08 2wgo s ASP 92 Ca 0.02 -0.45 0.00 0.00 1.18 0.00 0.00 52.55 53.30 2wgo s ASP 92 Cb 0.02 -0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.30 2wgo s ASP 92 CO 0.00 -1.24 0.00 -0.90 0.68 0.00 0.00 175.17 173.71 2wgo n ASP 93 N -2.27 0.00 -0.14 2.11 5.68 -1.26 -5.01 116.55 115.67 2wgo n ASP 93 Ca 0.12 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.57 2wgo n ASP 93 Cb 0.60 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.13 2wgo n ASP 93 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 2wgo h ASP 94 N 0.00 0.31 -3.31 -1.12 1.82 -2.06 -3.39 116.42 108.66 2wgo h ASP 94 Ca 0.00 0.02 -0.53 0.00 -0.39 0.00 0.00 57.03 56.13 2wgo h ASP 94 Cb 0.00 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 39.98 2wgo h ASP 94 CO 0.00 0.16 0.58 -0.83 -1.61 0.00 0.00 179.24 177.54 2wgo s GLY 95 N -3.85 2.48 0.00 -0.78 0.00 -1.26 -5.17 107.32 98.75 2wgo s GLY 95 Ca -0.07 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2wgo s GLY 95 CO 0.76 1.99 0.00 1.58 0.00 0.00 0.00 173.10 177.43