#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 3.16 -0.41 1.61 0.15 -0.31 -4.64 113.70 113.26 2wgo s SER 0 Ca 0.00 -1.22 -0.15 0.00 0.70 0.00 0.00 55.95 55.28 2wgo s SER 0 Cb 0.00 -0.19 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 2wgo s SER 0 CO 0.00 -0.43 0.32 -1.48 1.20 0.00 0.00 173.24 172.86 2wgo s LEU 1 N 2.11 5.10 -0.36 3.45 2.34 -1.26 -3.72 118.68 126.34 2wgo s LEU 1 Ca 0.09 -0.89 -0.05 0.00 0.06 0.00 0.00 54.13 53.34 2wgo s LEU 1 Cb -0.16 -2.19 0.20 0.00 -0.56 0.00 0.00 46.19 43.48 2wgo s LEU 1 CO -0.35 -0.48 1.01 -0.51 -1.06 0.00 0.00 176.35 174.96 2wgo s ILE 2 N 1.74 -0.34 0.00 1.48 1.10 -1.26 -4.89 121.20 119.03 2wgo s ILE 2 Ca 0.06 -0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.01 2wgo s ILE 2 Cb -0.19 0.00 0.00 0.00 0.15 0.00 0.00 42.46 42.42 2wgo s ILE 2 CO 0.10 0.00 0.00 0.00 -2.11 0.00 0.00 174.94 172.93 2wgo n LEU 3 N 3.17 0.00 -1.39 8.50 -0.00 -1.26 -1.44 117.00 124.59 2wgo n LEU 3 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.94 2wgo n LEU 3 Cb 0.63 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.98 2wgo n LEU 3 CO -0.09 -0.11 -0.16 0.47 -0.00 0.00 0.00 177.39 177.50 2wgo n ASP 4 N -1.34 -4.92 0.00 1.45 9.92 -1.26 -1.93 116.55 118.47 2wgo n ASP 4 Ca 0.00 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 2wgo n ASP 4 Cb 0.00 -4.24 0.00 0.00 -0.64 0.00 0.00 41.12 36.24 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 -0.22 0.94 2.40 0.44 0.00 -1.26 -4.67 105.19 102.82 2wgo n GLY 5 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2wgo n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wgo n ASP 6 N 0.00 -5.06 -4.20 1.61 8.00 -1.12 -4.94 116.55 110.85 2wgo n ASP 6 Ca 0.00 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 2wgo n ASP 6 Cb 0.00 -4.35 -0.10 0.00 -0.02 0.00 0.00 41.12 36.65 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wgo s LEU 7 N -5.28 1.78 0.00 0.64 1.43 -0.82 -4.86 118.68 111.57 2wgo s LEU 7 Ca 0.00 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 2wgo s LEU 7 Cb 0.00 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.40 2wgo s LEU 7 CO 0.00 -0.70 0.00 -0.11 0.23 0.00 0.00 176.35 175.77 2wgo n LEU 8 N -0.20 0.00 -2.85 1.79 7.94 -1.26 -4.58 117.00 117.83 2wgo n LEU 8 Ca -0.04 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.66 2wgo n LEU 8 Cb 0.64 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.60 2wgo n LEU 8 CO 0.33 0.00 -0.10 0.29 -1.11 0.00 0.00 177.39 176.80 2wgo n LYS 9 N 0.00 -3.36 0.06 1.96 5.02 -1.26 -4.88 118.16 115.70 2wgo n LYS 9 Ca 0.00 0.77 -0.04 0.00 -2.02 0.00 0.00 58.31 57.01 2wgo n LYS 9 Cb 0.00 -5.50 -0.02 0.00 -0.02 0.00 0.00 35.03 29.48 2wgo n LYS 9 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2wgo h ASP 10 N -0.73 -0.22 -0.70 4.39 3.58 -1.99 -3.28 116.42 117.48 2wgo h ASP 10 Ca -0.45 -0.02 -0.42 0.00 0.42 0.00 0.00 57.03 56.55 2wgo h ASP 10 Cb 1.32 0.06 -0.21 0.00 1.72 0.00 0.00 39.33 42.22 2wgo h ASP 10 CO 0.52 0.26 0.54 0.29 -2.88 0.00 0.00 179.24 177.97 2wgo n LYS 11 N -4.95 2.03 -1.22 0.28 5.02 -1.26 -4.95 118.16 113.12 2wgo n LYS 11 Ca -0.04 -2.20 -0.29 0.00 -2.02 0.00 0.00 58.31 53.77 2wgo n LYS 11 Cb 0.12 -1.86 0.18 0.00 -0.02 0.00 0.00 35.03 33.44 2wgo n LYS 11 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2wgo s LEU 12 N -2.50 1.58 -0.62 -0.35 2.96 -1.24 -3.96 118.68 114.56 2wgo s LEU 12 Ca 0.43 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 2wgo s LEU 12 Cb 0.35 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.75 2wgo s LEU 12 CO 0.03 -3.12 0.00 0.29 -1.32 0.00 0.00 176.35 172.23 2wgo n LYS 13 N -4.16 -0.84 -4.13 1.98 4.01 -1.26 -5.00 118.16 108.76 2wgo n LYS 13 Ca 0.05 0.59 -0.36 0.00 -0.51 0.00 0.00 58.31 58.09 2wgo n LYS 13 Cb 0.58 -4.45 -0.08 0.00 -0.51 0.00 0.00 35.03 30.57 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 -1.33 3.96 0.05 -0.35 1.43 -1.25 -5.02 118.68 116.17 2wgo s LEU 14 Ca 0.00 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 2wgo s LEU 14 Cb 0.00 -1.94 -0.18 0.00 0.03 0.00 0.00 46.19 44.10 2wgo s LEU 14 CO 0.00 0.38 1.47 -0.65 0.23 0.00 0.00 176.35 177.78 2wgo h PRO 15 N 5.16 -0.75 -4.49 1.29 0.11 -1.94 -3.43 132.00 127.95 2wgo h PRO 15 Ca -0.52 0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.13 2wgo h PRO 15 Cb 1.21 0.17 -0.34 0.00 0.11 0.00 0.00 31.00 32.15 2wgo h PRO 15 CO 0.57 -0.46 -0.81 0.54 -0.21 0.00 0.00 178.00 177.62 2wgo s VAL 16 N -5.55 1.12 0.76 3.15 0.11 -1.26 -4.72 120.40 114.00 2wgo s VAL 16 Ca -0.16 -0.44 -0.04 0.00 -2.93 0.00 0.00 61.98 58.41 2wgo s VAL 16 Cb 0.03 -1.04 0.13 0.00 -1.53 0.00 0.00 36.38 33.97 2wgo s VAL 16 CO 0.58 0.36 1.05 -0.63 -3.33 0.00 0.00 175.10 173.12 2wgo s ILE 17 N 0.86 2.13 -0.20 7.04 1.01 0.37 -4.95 121.20 127.45 2wgo s ILE 17 Ca -0.11 -0.48 -0.38 0.00 0.00 0.00 0.00 60.65 59.68 2wgo s ILE 17 Cb -0.15 -2.65 -0.14 0.00 0.01 0.00 0.00 42.46 39.52 2wgo s ILE 17 CO 0.01 0.00 1.79 0.47 0.00 0.00 0.00 174.94 177.22 2wgo n ASP 18 N -2.98 2.78 0.26 3.58 9.92 -1.26 -4.36 116.55 124.49 2wgo n ASP 18 Ca 0.15 1.04 0.15 0.00 -0.53 0.00 0.00 54.79 55.59 2wgo n ASP 18 Cb 0.60 -1.23 0.65 0.00 -0.64 0.00 0.00 41.12 40.50 2wgo n ASP 18 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2wgo h ASN 19 N 7.94 0.00 0.08 -2.24 -1.07 -1.93 -0.66 115.58 117.70 2wgo h ASN 19 Ca -0.47 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 55.70 2wgo h ASN 19 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 2wgo h ASN 19 CO 0.96 0.08 -0.73 0.25 0.07 0.00 0.00 177.43 178.05 2wgo h LEU 20 N 0.00 0.67 -0.50 6.14 5.85 -1.97 0.20 115.31 125.70 2wgo h LEU 20 Ca -0.00 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 2wgo h LEU 20 Cb 0.54 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2wgo h LEU 20 CO 0.01 1.19 0.22 0.15 -0.34 0.00 0.00 178.44 179.67 2wgo h PHE 21 N 0.39 0.74 -0.37 1.25 3.57 -1.58 0.24 116.94 121.18 2wgo h PHE 21 Ca -0.03 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2wgo h PHE 21 Cb 1.32 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2wgo h PHE 21 CO 0.06 0.61 0.20 0.78 -2.23 0.00 0.00 178.31 177.73 2wgo h GLY 22 N 0.67 0.55 0.23 2.40 0.00 -1.13 -1.82 103.07 103.96 2wgo h GLY 22 Ca 0.17 -0.25 0.13 0.00 0.00 0.00 0.00 47.33 47.38 2wgo h GLY 22 CO -0.02 0.24 0.34 1.70 0.00 0.00 0.00 176.54 178.80 2wgo h LYS 23 N 0.47 0.50 -0.88 4.80 1.63 -0.02 0.14 116.57 123.20 2wgo h LYS 23 Ca 0.13 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 2wgo h LYS 23 Cb 0.06 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 2wgo h LYS 23 CO -0.02 0.33 0.46 0.93 -3.45 0.00 0.00 179.45 177.70 2wgo h GLU 24 N 0.51 1.24 1.01 1.90 4.39 -0.18 0.57 114.58 124.02 2wgo h GLU 24 Ca 0.41 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 2wgo h GLU 24 Cb 0.58 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2wgo h GLU 24 CO -0.37 0.92 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.85 2wgo h LEU 25 N 1.24 -1.15 -1.73 1.33 3.38 -0.19 -2.36 115.31 115.84 2wgo h LEU 25 Ca 0.31 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2wgo h LEU 25 Cb 0.06 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2wgo h LEU 25 CO -0.05 -0.82 0.17 -0.07 0.09 0.00 0.00 178.44 177.76 2wgo h LEU 26 N -1.35 0.30 -0.06 1.67 4.07 -0.90 0.17 115.31 119.21 2wgo h LEU 26 Ca -0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.81 2wgo h LEU 26 Cb 1.04 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 2wgo h LEU 26 CO 0.23 0.22 0.04 -0.78 -1.08 0.00 0.00 178.44 177.07 2wgo h ASP 27 N 0.35 0.08 0.03 -0.43 3.58 0.21 0.31 116.42 120.55 2wgo h ASP 27 Ca 0.10 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2wgo h ASP 27 Cb -0.03 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2wgo h ASP 27 CO -0.02 0.10 -0.02 0.11 -2.88 0.00 0.00 179.24 176.54 2wgo h LYS 28 N 0.04 -0.04 -0.40 0.28 1.57 -0.74 -3.11 116.57 114.17 2wgo h LYS 28 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wgo h LYS 28 Cb 0.04 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2wgo h LYS 28 CO -0.00 0.31 0.00 1.19 -0.57 0.00 0.00 179.45 180.37 2wgo n PHE 29 N -4.94 0.22 -0.12 -1.35 3.72 0.52 -3.18 117.46 112.33 2wgo n PHE 29 Ca -0.08 -0.09 -0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2wgo n PHE 29 Cb 0.20 -0.06 0.27 0.00 -0.94 0.00 0.00 39.48 38.94 2wgo n PHE 29 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2wgo h GLN 30 N 0.68 0.79 -0.45 -1.08 4.15 -0.29 0.54 115.11 119.45 2wgo h GLN 30 Ca 0.00 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 2wgo h GLN 30 Cb 0.36 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2wgo h GLN 30 CO 0.03 0.62 0.20 0.22 -1.93 0.00 0.00 178.83 177.96 2wgo h ASP 31 N 0.79 0.57 -0.05 -0.69 3.58 -1.78 0.13 116.42 118.96 2wgo h ASP 31 Ca 0.20 -0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 2wgo h ASP 31 Cb 0.09 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.01 2wgo h ASP 31 CO -0.03 0.50 -0.47 -0.78 -2.88 0.00 0.00 179.24 175.59 2wgo h ASP 32 N 0.63 0.51 0.60 2.28 1.82 -1.35 0.33 116.42 121.24 2wgo h ASP 32 Ca 0.16 -0.69 -0.06 0.00 -0.39 0.00 0.00 57.03 56.04 2wgo h ASP 32 Cb 0.10 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 2wgo h ASP 32 CO -0.02 1.12 -0.31 0.40 -1.61 0.00 0.00 179.24 178.83 2wgo h ILE 33 N -0.06 0.90 0.00 2.25 2.04 -0.80 0.61 117.51 122.45 2wgo h ILE 33 Ca -0.04 -1.20 -0.21 0.00 1.00 0.00 0.00 64.86 64.40 2wgo h ILE 33 Cb 1.15 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 2wgo h ILE 33 CO 0.10 0.30 -1.13 0.50 0.00 0.00 0.00 178.15 177.91 2wgo h LYS 34 N 0.00 0.00 -0.29 2.37 3.64 -0.66 0.40 116.57 122.04 2wgo h LYS 34 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2wgo h LYS 34 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2wgo h LYS 34 CO 0.04 0.75 -0.22 0.22 -2.27 0.00 0.00 179.45 177.96 2wgo h ASP 35 N 0.00 0.70 -0.11 4.20 3.58 0.23 -1.97 116.42 123.06 2wgo h ASP 35 Ca -0.09 -0.45 -0.03 0.00 0.42 0.00 0.00 57.03 56.89 2wgo h ASP 35 Cb 1.76 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.61 2wgo h ASP 35 CO 0.10 1.00 -0.04 0.11 -2.88 0.00 0.00 179.24 177.53 2wgo h LYS 36 N 0.41 0.21 0.00 0.28 1.57 0.26 -3.44 116.57 115.87 2wgo h LYS 36 Ca 0.05 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2wgo h LYS 36 Cb 0.77 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2wgo h LYS 36 CO 0.06 0.54 -0.19 0.66 -0.57 0.00 0.00 179.45 179.95 2wgo n TYR 37 N -4.74 -0.75 0.00 -1.35 4.01 0.13 -5.07 117.16 109.39 2wgo n TYR 37 Ca -0.06 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2wgo n TYR 37 Cb 0.26 0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 2.56 0.48 3.34 2.72 0.00 -0.27 -4.90 105.19 109.12 2wgo n GLY 38 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.26 1.88 -0.23 1.61 1.01 -1.24 -4.90 120.40 118.28 2wgo s VAL 39 Ca 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 61.98 60.01 2wgo s VAL 39 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2wgo s VAL 39 CO 0.00 -0.26 0.07 -0.62 0.00 0.00 0.00 175.10 174.29 2wgo s ASP 40 N -2.60 5.32 0.12 3.32 2.15 -1.26 -4.32 116.67 119.39 2wgo s ASP 40 Ca 0.16 -0.11 0.24 0.00 0.43 0.00 0.00 52.55 53.27 2wgo s ASP 40 Cb -0.06 -1.94 0.38 0.00 -0.30 0.00 0.00 42.92 41.00 2wgo s ASP 40 CO 0.07 0.03 1.35 0.35 -0.17 0.00 0.00 175.17 176.80 2wgo n THR 41 N 4.46 0.34 1.26 1.71 -2.24 -1.26 -3.38 114.28 115.18 2wgo n THR 41 Ca -0.16 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2wgo n THR 41 Cb 0.52 -0.13 0.70 0.00 -2.10 0.00 0.00 70.33 69.32 2wgo n THR 41 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wgo n LYS 42 N -2.08 0.28 -0.02 -0.78 5.02 -1.26 -2.50 118.16 116.81 2wgo n LYS 42 Ca 0.03 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 2wgo n LYS 42 Cb 0.43 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.78 2wgo n LYS 42 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wgo n ASP 43 N -1.36 0.02 -4.68 4.39 2.03 -1.22 -4.92 116.55 110.81 2wgo n ASP 43 Ca 0.12 0.01 -0.42 0.00 0.52 0.00 0.00 54.79 55.01 2wgo n ASP 43 Cb 0.27 1.78 -0.03 0.00 -0.72 0.00 0.00 41.12 42.43 2wgo n ASP 43 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wgo s LEU 44 N -4.72 4.28 -0.40 -2.67 1.43 -1.04 -4.97 118.68 110.59 2wgo s LEU 44 Ca -0.08 1.89 -0.26 0.00 -1.03 0.00 0.00 54.13 54.65 2wgo s LEU 44 Cb 0.12 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.81 2wgo s LEU 44 CO 0.89 -0.65 0.95 -0.75 0.23 0.00 0.00 176.35 177.02 2wgo s LYS 45 N 2.47 3.75 -0.31 1.70 2.20 -1.16 -4.89 119.74 123.50 2wgo s LYS 45 Ca 0.58 0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 56.37 2wgo s LYS 45 Cb -0.26 -3.85 0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2wgo s LYS 45 CO 0.22 -1.06 1.08 0.42 -0.36 0.00 0.00 175.35 175.65 2wgo s ILE 46 N 3.64 4.50 -0.17 5.43 1.01 -1.26 0.27 121.20 134.62 2wgo s ILE 46 Ca 0.39 1.74 -0.23 0.00 0.00 0.00 0.00 60.65 62.55 2wgo s ILE 46 Cb -0.11 -4.41 -0.20 0.00 0.01 0.00 0.00 42.46 37.75 2wgo s ILE 46 CO 0.22 -0.47 0.41 -0.07 0.00 0.00 0.00 174.94 175.03 2wgo h LEU 47 N 10.08 0.00 -6.79 2.97 3.38 -0.02 -3.47 115.31 121.46 2wgo h LEU 47 Ca -0.21 -0.66 -0.29 0.00 0.09 0.00 0.00 57.88 56.82 2wgo h LEU 47 Cb 1.06 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.46 2wgo h LEU 47 CO 1.03 1.20 -0.60 -0.75 0.09 0.00 0.00 178.44 179.42 2wgo s LYS 48 N -2.26 0.20 -0.19 1.13 2.20 -0.64 -4.99 119.74 115.19 2wgo s LYS 48 Ca -0.23 0.30 -0.14 0.00 -0.36 0.00 0.00 55.97 55.54 2wgo s LYS 48 Cb 0.02 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 35.30 2wgo s LYS 48 CO 0.58 -0.61 0.31 0.99 -0.36 0.00 0.00 175.35 176.26 2wgo s THR 49 N 2.36 5.27 0.14 3.43 2.01 -1.26 -0.22 115.64 127.37 2wgo s THR 49 Ca 0.07 0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 2wgo s THR 49 Cb -0.15 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2wgo s THR 49 CO -0.12 0.33 0.23 -0.44 -0.69 0.00 0.00 174.62 173.93 2wgo s SER 50 N 0.78 0.10 0.16 3.53 0.01 0.31 0.14 113.70 118.72 2wgo s SER 50 Ca 0.16 -0.84 0.04 0.00 1.31 0.00 0.00 55.95 56.62 2wgo s SER 50 Cb -0.14 0.39 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 2wgo s SER 50 CO 0.05 -0.82 -0.07 -1.83 0.41 0.00 0.00 173.24 170.98 2wgo s GLU 51 N -3.94 1.09 0.00 12.44 -1.05 -1.26 0.61 118.70 126.59 2wgo s GLU 51 Ca 0.14 -1.49 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 2wgo s GLU 51 Cb 0.04 -0.54 0.00 0.00 -0.44 0.00 0.00 34.13 33.20 2wgo s GLU 51 CO -0.03 0.01 0.00 -3.47 0.95 0.00 0.00 175.26 172.72 2wgo n ASP 52 N -0.23 0.00 -4.57 0.83 2.03 0.16 -4.77 116.55 110.01 2wgo n ASP 52 Ca -0.09 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.82 2wgo n ASP 52 Cb 0.61 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.99 2wgo n ASP 52 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2wgo s LYS 53 N 1.21 2.98 0.00 -0.67 1.02 -1.26 -3.37 119.74 119.66 2wgo s LYS 53 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.63 2wgo s LYS 53 Cb 0.00 -4.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.05 2wgo s LYS 53 CO 0.00 -2.31 0.00 0.54 -0.92 0.00 0.00 175.35 172.66 2wgo n ARG 54 N 8.91 0.00 -4.18 1.68 1.74 -1.26 -4.96 116.66 118.59 2wgo n ARG 54 Ca 0.17 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.95 2wgo n ARG 54 Cb 0.50 -2.00 -0.09 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.67 2.93 0.12 -1.55 2.99 -1.22 -0.53 117.98 119.06 2wgo s PHE 55 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 56.93 56.97 2wgo s PHE 55 Cb 0.00 -1.52 -0.04 0.00 0.00 0.00 0.00 43.02 41.46 2wgo s PHE 55 CO 0.00 0.46 -0.18 0.71 -0.00 0.00 0.00 175.22 176.20 2wgo s TYR 56 N -1.26 2.52 -0.28 0.36 1.51 0.25 0.38 117.35 120.82 2wgo s TYR 56 Ca 0.24 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 2wgo s TYR 56 Cb -0.11 -1.33 0.09 0.00 -0.11 0.00 0.00 41.96 40.49 2wgo s TYR 56 CO 0.16 0.39 0.05 0.71 -1.11 0.00 0.00 175.55 175.75 2wgo s TYR 57 N -1.19 2.15 -0.62 2.71 2.02 0.20 -0.72 117.35 121.91 2wgo s TYR 57 Ca 0.18 -1.87 -0.09 0.00 -0.37 0.00 0.00 57.07 54.92 2wgo s TYR 57 Cb -0.10 -1.82 0.16 0.00 -0.40 0.00 0.00 41.96 39.79 2wgo s TYR 57 CO 0.10 -0.84 0.50 0.08 -1.57 0.00 0.00 175.55 173.82 2wgo s VAL 58 N 1.47 4.51 -0.26 0.71 1.01 0.19 -0.53 120.40 127.49 2wgo s VAL 58 Ca 0.05 -2.29 -0.29 0.00 0.00 0.00 0.00 61.98 59.46 2wgo s VAL 58 Cb -0.18 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2wgo s VAL 58 CO -0.16 -0.88 1.05 -0.55 0.00 0.00 0.00 175.10 174.57 2wgo s SER 59 N 2.03 7.04 0.12 3.32 0.15 0.70 0.18 113.70 127.25 2wgo s SER 59 Ca 0.12 1.27 0.05 0.00 0.70 0.00 0.00 55.95 58.09 2wgo s SER 59 Cb -0.20 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 2wgo s SER 59 CO -0.04 -0.74 -0.13 0.68 1.20 0.00 0.00 173.24 174.22 2wgo s VAL 60 N 3.36 1.23 -0.59 4.45 -7.23 0.17 0.74 120.40 122.52 2wgo s VAL 60 Ca 0.45 -1.76 -0.24 0.00 -1.81 0.00 0.00 61.98 58.62 2wgo s VAL 60 Cb -0.14 -1.54 0.05 0.00 0.56 0.00 0.00 36.38 35.31 2wgo s VAL 60 CO 0.09 -0.50 0.96 -0.62 -0.31 0.00 0.00 175.10 174.72 2wgo s ASP 61 N -2.57 6.27 0.49 4.85 3.68 0.14 -1.44 116.67 128.09 2wgo s ASP 61 Ca 0.09 -0.57 0.22 0.00 2.13 0.00 0.00 52.55 54.43 2wgo s ASP 61 Cb -0.03 -2.43 1.25 0.00 -1.45 0.00 0.00 42.92 40.25 2wgo s ASP 61 CO 0.02 -1.32 2.03 0.00 0.13 0.00 0.00 175.17 176.02 2wgo h ALA 62 N 9.43 1.42 0.00 3.66 0.00 -1.81 -3.06 119.26 128.89 2wgo h ALA 62 Ca -0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wgo h ALA 62 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wgo h ALA 62 CO 1.13 0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.99 2wgo n GLY 63 N -0.77 2.10 0.17 0.00 0.00 -1.26 -4.89 105.19 100.54 2wgo n GLY 63 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 0.53 0.00 0.00 1.61 1.82 -2.00 -3.47 116.42 114.91 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 0.27 0.00 0.61 -1.61 0.00 0.00 179.24 178.51 2wgo n GLY 65 N 1.19 1.46 3.75 -0.78 0.00 -1.26 -5.10 105.19 104.44 2wgo n GLY 65 Ca 0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 4.20 -0.74 1.61 -1.05 -1.26 -4.90 118.70 116.56 2wgo s GLU 66 Ca 0.00 2.44 -0.14 0.00 -0.15 0.00 0.00 54.97 57.12 2wgo s GLU 66 Cb 0.00 -3.05 0.19 0.00 -0.44 0.00 0.00 34.13 30.83 2wgo s GLU 66 CO 0.00 -0.50 0.68 0.15 0.95 0.00 0.00 175.26 176.54 2wgo s LYS 67 N -0.81 3.39 -0.05 -4.83 1.02 -1.26 -2.58 119.74 114.61 2wgo s LYS 67 Ca 0.59 -2.24 -0.20 0.00 0.02 0.00 0.00 55.97 54.14 2wgo s LYS 67 Cb -0.45 -4.37 -0.05 0.00 -0.52 0.00 0.00 37.83 32.45 2wgo s LYS 67 CO 0.49 -1.30 0.58 0.00 -0.92 0.00 0.00 175.35 174.20 2wgo s LYS 69 N 0.30 2.62 -0.53 0.00 2.20 -0.06 0.46 119.74 124.72 2wgo s LYS 69 Ca 0.31 -2.22 -0.26 0.00 -0.36 0.00 0.00 55.97 53.44 2wgo s LYS 69 Cb -0.17 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.23 2wgo s LYS 69 CO 0.15 -1.18 2.23 -0.06 -0.36 0.00 0.00 175.35 176.12 2wgo s PHE 70 N 0.51 1.27 -1.20 4.03 0.40 0.13 -2.51 117.98 120.61 2wgo s PHE 70 Ca 0.13 1.31 -0.19 0.00 -0.60 0.00 0.00 56.93 57.58 2wgo s PHE 70 Cb -0.21 -3.75 0.07 0.00 0.51 0.00 0.00 43.02 39.64 2wgo s PHE 70 CO -0.04 -2.45 1.62 0.21 0.70 0.00 0.00 175.22 175.26 2wgo s LYS 71 N 7.86 3.87 -0.89 0.44 2.20 0.28 -0.64 119.74 132.85 2wgo s LYS 71 Ca 0.87 -1.76 -0.25 0.00 -0.36 0.00 0.00 55.97 54.48 2wgo s LYS 71 Cb -0.15 -5.45 0.02 0.00 -1.51 0.00 0.00 37.83 30.74 2wgo s LYS 71 CO 0.24 -2.21 1.51 0.42 -0.36 0.00 0.00 175.35 174.95 2wgo s ILE 72 N 4.29 3.75 0.06 5.43 1.01 0.10 -2.14 121.20 133.70 2wgo s ILE 72 Ca 0.51 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.55 2wgo s ILE 72 Cb 0.02 -4.78 -0.08 0.00 0.01 0.00 0.00 42.46 37.63 2wgo s ILE 72 CO 0.02 -1.69 1.73 -0.60 0.00 0.00 0.00 174.94 174.40 2wgo s ARG 73 N 5.65 4.17 1.18 2.79 3.52 -1.25 -0.59 118.95 134.43 2wgo s ARG 73 Ca 0.48 2.41 -0.13 0.00 -0.13 0.00 0.00 55.73 58.36 2wgo s ARG 73 Cb -0.04 -3.72 0.28 0.00 -1.56 0.00 0.00 34.95 29.91 2wgo s ARG 73 CO 0.01 -0.80 0.97 1.63 -0.81 0.00 0.00 175.30 176.30 2wgo n LYS 74 N 6.06 -2.47 -2.03 5.12 5.02 0.32 -4.28 118.16 125.90 2wgo n LYS 74 Ca 0.17 -0.69 -0.33 0.00 -2.02 0.00 0.00 58.31 55.43 2wgo n LYS 74 Cb 0.40 -2.15 -0.05 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 -4.83 3.38 -4.21 4.39 -0.08 -0.52 -4.68 116.55 109.99 2wgo n ASP 75 Ca 0.03 -2.74 -0.41 0.00 -1.51 0.00 0.00 54.79 50.15 2wgo n ASP 75 Cb 0.54 -1.66 -0.05 0.00 2.34 0.00 0.00 41.12 42.29 2wgo n ASP 75 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2wgo s VAL 76 N 8.74 4.76 0.00 5.18 -7.23 -1.26 -4.05 120.40 126.53 2wgo s VAL 76 Ca 0.64 -2.90 0.00 0.00 -1.81 0.00 0.00 61.98 57.90 2wgo s VAL 76 Cb 0.03 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.99 2wgo s VAL 76 CO 0.12 -0.99 0.00 -0.67 -0.31 0.00 0.00 175.10 173.25 2wgo n ASP 77 N 3.49 0.00 -4.13 4.85 -0.08 -1.26 -4.90 116.55 114.52 2wgo n ASP 77 Ca 0.13 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.22 2wgo n ASP 77 Cb 0.42 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.75 2wgo n ASP 77 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2wgo s VAL 78 N -0.09 1.02 -1.01 5.18 -7.23 -1.26 -5.10 120.40 111.90 2wgo s VAL 78 Ca 0.00 -1.00 -0.16 0.00 -1.81 0.00 0.00 61.98 59.02 2wgo s VAL 78 Cb 0.00 -0.94 0.17 0.00 0.56 0.00 0.00 36.38 36.17 2wgo s VAL 78 CO 0.00 -0.05 1.16 -2.16 -0.31 0.00 0.00 175.10 173.74 2wgo s PRO 79 N -1.18 3.80 0.07 4.82 0.04 -1.26 -4.21 135.00 137.08 2wgo s PRO 79 Ca 0.00 -2.25 -0.26 0.00 0.04 0.00 0.00 61.00 58.52 2wgo s PRO 79 Cb -0.08 -4.85 0.08 0.00 0.04 0.00 0.00 34.50 29.69 2wgo s PRO 79 CO 0.01 -1.65 0.80 0.15 0.04 0.00 0.00 177.00 176.36 2wgo s LYS 80 N 1.59 1.04 -0.27 4.56 1.02 -1.25 -1.16 119.74 125.26 2wgo s LYS 80 Ca 0.33 -0.42 -0.22 0.00 0.02 0.00 0.00 55.97 55.68 2wgo s LYS 80 Cb -0.05 0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 37.70 2wgo s LYS 80 CO -0.06 -0.46 0.70 0.00 -0.92 0.00 0.00 175.35 174.61 2wgo s MET 81 N -3.36 4.08 0.30 1.68 0.23 -1.26 -3.78 119.30 117.19 2wgo s MET 81 Ca 0.05 0.62 -0.02 0.00 -1.03 0.00 0.00 55.69 55.31 2wgo s MET 81 Cb -0.01 -3.67 0.44 0.00 -1.53 0.00 0.00 34.83 30.06 2wgo s MET 81 CO -0.08 -0.50 1.96 -0.24 -2.03 0.00 0.00 175.02 174.12 2wgo h VAL 82 N 5.46 1.21 -3.28 5.16 3.04 -1.73 -3.44 116.25 122.66 2wgo h VAL 82 Ca -0.25 -0.43 -0.15 0.00 -1.01 0.00 0.00 66.70 64.86 2wgo h VAL 82 Cb 1.11 0.07 -0.03 0.00 -2.01 0.00 0.00 31.29 30.43 2wgo h VAL 82 CO 0.82 0.21 0.01 0.61 -1.01 0.00 0.00 177.57 178.21 2wgo n GLY 83 N -1.35 1.88 2.50 3.17 0.00 -0.91 -5.03 105.19 105.45 2wgo n GLY 83 Ca 0.09 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.44 1.04 -1.71 1.61 1.85 -1.25 -0.56 116.66 117.19 2wgo n ARG 84 Ca -0.02 -1.12 -0.42 0.00 -1.00 0.00 0.00 57.85 55.29 2wgo n ARG 84 Cb 0.47 0.24 -0.03 0.00 -1.05 0.00 0.00 32.46 32.08 2wgo n ARG 84 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2wgo s LYS 85 N 0.12 4.14 -0.40 2.89 1.02 -1.04 -3.94 119.74 122.52 2wgo s LYS 85 Ca 0.10 2.58 -0.27 0.00 0.02 0.00 0.00 55.97 58.40 2wgo s LYS 85 Cb 0.34 -3.94 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2wgo s LYS 85 CO -0.09 -0.90 0.97 0.00 -0.92 0.00 0.00 175.35 174.41 2wgo s ARG 87 N 3.70 2.42 -0.49 0.00 0.52 0.14 -4.87 118.95 120.38 2wgo s ARG 87 Ca 0.40 -2.94 -0.29 0.00 -0.52 0.00 0.00 55.73 52.39 2wgo s ARG 87 Cb -0.11 -3.51 0.03 0.00 0.52 0.00 0.00 34.95 31.88 2wgo s ARG 87 CO 0.22 -1.20 1.14 0.21 0.02 0.00 0.00 175.30 175.69 2wgo s LYS 88 N -0.78 3.70 2.96 3.54 2.20 -1.25 -4.69 119.74 125.42 2wgo s LYS 88 Ca 0.21 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 2wgo s LYS 88 Cb -0.15 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2wgo s LYS 88 CO -0.08 -1.42 0.00 -3.47 -0.36 0.00 0.00 175.35 170.03 2wgo n ASP 89 N 7.91 -1.38 0.00 1.43 -0.08 -1.26 -4.88 116.55 118.30 2wgo n ASP 89 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 2wgo n ASP 89 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2wgo n ASP 89 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2wgo n ASP 90 N -1.87 0.00 -3.59 1.67 9.92 -1.26 -4.64 116.55 116.78 2wgo n ASP 90 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 2wgo n ASP 90 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 2wgo n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wgo s ASP 91 N -4.00 -0.31 -0.15 -2.24 2.15 -1.26 -5.16 116.67 105.69 2wgo s ASP 91 Ca 0.00 0.35 -0.03 0.00 0.43 0.00 0.00 52.55 53.30 2wgo s ASP 91 Cb 0.00 0.27 -0.02 0.00 -0.30 0.00 0.00 42.92 42.87 2wgo s ASP 91 CO 0.00 -0.28 -0.06 1.51 -0.17 0.00 0.00 175.17 176.17 2wgo s ASP 92 N -1.04 4.53 0.00 -0.34 -4.77 -1.26 -4.97 116.67 108.82 2wgo s ASP 92 Ca 0.00 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 49.04 2wgo s ASP 92 Cb -0.01 -1.73 0.00 0.00 -1.09 0.00 0.00 42.92 40.09 2wgo s ASP 92 CO -0.00 0.15 0.00 0.47 0.70 0.00 0.00 175.17 176.48 2wgo n ASP 93 N 3.66 0.18 -4.67 2.11 9.92 -1.26 -5.15 116.55 121.33 2wgo n ASP 93 Ca -0.18 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.80 2wgo n ASP 93 Cb 0.52 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.91 2wgo n ASP 93 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2wgo s ASP 94 N -0.66 4.05 0.00 -2.24 1.01 -1.26 -4.97 116.67 112.61 2wgo s ASP 94 Ca 0.00 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 51.91 2wgo s ASP 94 Cb 0.00 -0.25 0.00 0.00 1.01 0.00 0.00 42.92 43.68 2wgo s ASP 94 CO 0.00 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.44 2wgo n GLY 95 N -1.09 0.07 0.18 0.21 0.00 -1.26 -5.24 105.19 98.05 2wgo n GLY 95 Ca -0.06 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.61 2wgo n GLY 95 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60