#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 7.33 -0.01 1.61 0.15 0.89 -4.87 113.70 118.80 2wgo s SER 0 Ca 0.00 1.60 0.02 0.00 0.70 0.00 0.00 55.95 58.27 2wgo s SER 0 Cb 0.00 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2wgo s SER 0 CO 0.00 -0.15 0.77 0.18 1.20 0.00 0.00 173.24 175.24 2wgo n LEU 1 N 3.43 0.69 -4.23 3.45 4.77 -1.26 -4.53 117.00 119.31 2wgo n LEU 1 Ca 0.03 -0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 54.72 2wgo n LEU 1 Cb 0.50 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 2wgo n LEU 1 CO 0.50 0.23 -0.45 -0.51 -1.33 0.00 0.00 177.39 175.83 2wgo s ILE 2 N -0.50 2.77 -0.74 -0.08 1.10 -1.26 -4.62 121.20 117.86 2wgo s ILE 2 Ca 0.03 -0.70 -0.03 0.00 -0.51 0.00 0.00 60.65 59.43 2wgo s ILE 2 Cb 0.03 -2.22 -0.04 0.00 0.15 0.00 0.00 42.46 40.38 2wgo s ILE 2 CO 0.00 0.48 0.64 0.18 -2.11 0.00 0.00 174.94 174.14 2wgo n LEU 3 N 4.62 -4.24 0.28 8.50 7.99 -1.26 0.53 117.00 133.42 2wgo n LEU 3 Ca -0.19 -0.47 0.12 0.00 -0.01 0.00 0.00 56.01 55.45 2wgo n LEU 3 Cb 0.51 -2.35 0.80 0.00 -0.11 0.00 0.00 43.42 42.26 2wgo n LEU 3 CO 0.28 0.11 1.09 -2.24 -1.51 0.00 0.00 177.39 175.13 2wgo h ASP 4 N -0.88 0.00 -0.44 -1.43 3.04 -1.80 -2.05 116.42 112.86 2wgo h ASP 4 Ca -0.41 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.38 2wgo h ASP 4 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 2wgo h ASP 4 CO 0.31 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 178.13 2wgo n GLY 5 N -1.38 2.59 2.87 7.15 0.00 -1.26 -4.43 105.19 110.73 2wgo n GLY 5 Ca -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 0.50 -7.54 -4.24 1.61 -0.08 -0.82 -5.04 116.55 100.93 2wgo n ASP 6 Ca 0.21 0.22 -0.15 0.00 -1.51 0.00 0.00 54.79 53.56 2wgo n ASP 6 Cb 0.95 -5.11 -0.10 0.00 2.34 0.00 0.00 41.12 39.20 2wgo n ASP 6 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2wgo s LEU 7 N -3.20 2.48 -0.13 -2.67 1.43 -1.26 -5.07 118.68 110.27 2wgo s LEU 7 Ca 0.12 -0.93 -0.05 0.00 -1.03 0.00 0.00 54.13 52.24 2wgo s LEU 7 Cb -0.03 -0.41 -0.06 0.00 0.03 0.00 0.00 46.19 45.71 2wgo s LEU 7 CO 0.72 -0.27 -0.16 0.18 0.23 0.00 0.00 176.35 177.05 2wgo n LEU 8 N 0.08 1.51 0.00 1.79 4.32 -1.26 -4.86 117.00 118.58 2wgo n LEU 8 Ca -0.12 0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2wgo n LEU 8 Cb 0.59 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2wgo n LEU 8 CO 0.30 0.40 0.00 0.29 -1.22 0.00 0.00 177.39 177.16 2wgo n LYS 9 N -3.41 0.00 -3.84 3.23 5.02 -1.26 -4.28 118.16 113.63 2wgo n LYS 9 Ca -0.26 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.76 2wgo n LYS 9 Cb 0.70 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.55 2wgo n LYS 9 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wgo s ASP 10 N -3.06 2.81 0.07 4.39 3.68 -1.26 -5.04 116.67 118.26 2wgo s ASP 10 Ca 0.00 -0.69 -0.21 0.00 2.13 0.00 0.00 52.55 53.78 2wgo s ASP 10 Cb 0.00 -0.81 -0.11 0.00 -1.45 0.00 0.00 42.92 40.55 2wgo s ASP 10 CO 0.00 -0.22 1.54 0.50 0.13 0.00 0.00 175.17 177.12 2wgo h LYS 11 N 8.16 0.26 -2.77 4.34 3.64 -1.89 -3.43 116.57 124.89 2wgo h LYS 11 Ca -0.21 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 58.86 2wgo h LYS 11 Cb 1.11 -0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.57 2wgo h LYS 11 CO 0.37 0.44 -0.56 -1.17 -2.27 0.00 0.00 179.45 176.26 2wgo s LEU 12 N -9.63 -0.26 0.00 5.20 0.20 -1.26 -3.58 118.68 109.35 2wgo s LEU 12 Ca -0.14 0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.08 2wgo s LEU 12 Cb 0.06 0.62 0.00 0.00 -0.43 0.00 0.00 46.19 46.44 2wgo s LEU 12 CO 0.71 -0.26 0.00 1.17 -0.29 0.00 0.00 176.35 177.68 2wgo n LYS 13 N 5.34 0.00 -4.11 1.98 4.81 -1.26 -5.00 118.16 119.92 2wgo n LYS 13 Ca -0.06 0.12 -0.31 0.00 -0.87 0.00 0.00 58.31 57.19 2wgo n LYS 13 Cb 0.50 -0.49 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2wgo n LYS 13 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wgo s LEU 14 N -2.89 3.68 -0.10 3.14 1.43 -1.26 -5.07 118.68 117.60 2wgo s LEU 14 Ca 0.00 -0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 2wgo s LEU 14 Cb 0.00 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2wgo s LEU 14 CO 0.00 0.20 1.46 -2.16 0.23 0.00 0.00 176.35 176.07 2wgo s PRO 15 N -2.18 4.21 -0.01 1.29 0.04 -1.26 -4.07 135.00 133.02 2wgo s PRO 15 Ca 0.26 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 2wgo s PRO 15 Cb -0.12 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2wgo s PRO 15 CO 0.19 -0.76 0.00 1.55 0.04 0.00 0.00 177.00 178.01 2wgo n VAL 16 N 5.38 -1.75 -0.95 -0.36 3.14 -1.26 -4.95 118.33 117.58 2wgo n VAL 16 Ca 0.15 0.29 -0.31 0.00 -2.96 0.00 0.00 64.34 61.51 2wgo n VAL 16 Cb 0.44 -2.83 0.14 0.00 -1.06 0.00 0.00 33.84 30.53 2wgo n VAL 16 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2wgo s ILE 17 N -0.48 2.58 0.46 1.55 1.01 0.28 -4.83 121.20 121.77 2wgo s ILE 17 Ca -0.00 0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 2wgo s ILE 17 Cb 0.00 -2.44 -0.08 0.00 0.01 0.00 0.00 42.46 39.95 2wgo s ILE 17 CO 0.02 -0.25 1.40 -0.62 0.00 0.00 0.00 174.94 175.49 2wgo s ASP 18 N -3.02 5.86 0.55 3.58 -1.08 -1.26 -3.97 116.67 117.33 2wgo s ASP 18 Ca 0.64 2.87 0.36 0.00 -0.52 0.00 0.00 52.55 55.90 2wgo s ASP 18 Cb -0.20 -2.65 1.71 0.00 -1.46 0.00 0.00 42.92 40.31 2wgo s ASP 18 CO 0.58 -1.18 2.08 -0.55 0.52 0.00 0.00 175.17 176.61 2wgo h ASN 19 N 2.27 0.00 -0.02 -0.34 7.08 -1.91 -1.17 115.58 121.49 2wgo h ASN 19 Ca -0.51 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.71 2wgo h ASN 19 Cb 1.27 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.51 2wgo h ASN 19 CO 0.61 0.00 0.01 0.25 -2.08 0.00 0.00 177.43 176.22 2wgo h LEU 20 N 0.00 0.02 -1.09 6.14 6.46 -1.98 0.56 115.31 125.43 2wgo h LEU 20 Ca 0.00 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2wgo h LEU 20 Cb 0.27 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 2wgo h LEU 20 CO 0.00 0.05 0.42 0.15 -0.62 0.00 0.00 178.44 178.44 2wgo h PHE 21 N -0.02 1.03 0.11 1.25 3.57 -1.58 0.18 116.94 121.49 2wgo h PHE 21 Ca 0.01 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2wgo h PHE 21 Cb 0.04 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.45 2wgo h PHE 21 CO -0.06 0.71 -0.05 0.78 -2.23 0.00 0.00 178.31 177.46 2wgo h GLY 22 N 1.09 -0.15 0.29 2.40 0.00 -1.22 -2.65 103.07 102.84 2wgo h GLY 22 Ca 0.27 0.06 0.17 0.00 0.00 0.00 0.00 47.33 47.82 2wgo h GLY 22 CO -0.04 -0.06 0.61 0.50 0.00 0.00 0.00 176.54 177.55 2wgo h LYS 23 N -0.36 0.75 0.17 4.80 1.79 0.96 0.25 116.57 124.93 2wgo h LYS 23 Ca -0.02 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2wgo h LYS 23 Cb 0.30 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 2wgo h LYS 23 CO 0.02 0.50 -0.30 0.93 -1.08 0.00 0.00 179.45 179.52 2wgo h GLU 24 N 0.77 -0.53 0.17 3.15 4.39 -0.54 0.34 114.58 122.33 2wgo h GLU 24 Ca 0.53 0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.27 2wgo h GLU 24 Cb 0.80 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 2wgo h GLU 24 CO -0.30 -0.35 -0.45 -0.07 -1.16 0.00 0.00 179.01 176.68 2wgo h LEU 25 N -0.55 -1.33 -1.59 1.33 3.38 -0.67 -2.41 115.31 113.47 2wgo h LEU 25 Ca 0.02 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2wgo h LEU 25 Cb 0.55 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2wgo h LEU 25 CO -0.14 -0.49 -0.03 -0.07 0.09 0.00 0.00 178.44 177.80 2wgo h LEU 26 N -0.68 0.20 -0.97 1.67 4.07 -0.95 -0.79 115.31 117.87 2wgo h LEU 26 Ca -0.01 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 2wgo h LEU 26 Cb 0.67 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 2wgo h LEU 26 CO -0.21 0.27 -0.27 -0.78 -1.08 0.00 0.00 178.44 176.37 2wgo h ASP 27 N 0.22 0.43 1.41 -0.43 1.82 -0.14 0.23 116.42 119.96 2wgo h ASP 27 Ca 0.05 -0.15 -0.07 0.00 -0.39 0.00 0.00 57.03 56.47 2wgo h ASP 27 Cb 0.20 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2wgo h ASP 27 CO 0.01 0.69 -0.35 0.11 -1.61 0.00 0.00 179.24 178.09 2wgo h LYS 28 N 0.37 0.00 -0.33 0.28 1.57 -0.65 -2.98 116.57 114.83 2wgo h LYS 28 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wgo h LYS 28 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2wgo h LYS 28 CO 0.05 0.35 0.00 1.19 -0.57 0.00 0.00 179.45 180.47 2wgo n PHE 29 N -3.25 0.43 -0.22 -1.35 3.01 -0.92 -4.28 117.46 110.87 2wgo n PHE 29 Ca 0.02 -0.26 0.03 0.00 1.01 0.00 0.00 57.45 58.24 2wgo n PHE 29 Cb 0.62 -0.00 0.13 0.00 -0.01 0.00 0.00 39.48 40.22 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 3.74 0.16 -0.77 -1.08 4.15 -0.37 0.36 115.11 121.29 2wgo h GLN 30 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2wgo h GLN 30 Cb 0.87 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 2wgo h GLN 30 CO 0.00 0.11 0.33 0.22 -1.93 0.00 0.00 178.83 177.55 2wgo h ASP 31 N 0.17 1.03 -0.06 -0.69 3.58 -1.83 0.15 116.42 118.76 2wgo h ASP 31 Ca 0.36 -0.14 -0.25 0.00 0.42 0.00 0.00 57.03 57.42 2wgo h ASP 31 Cb 0.59 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 41.39 2wgo h ASP 31 CO -0.53 0.90 -0.92 -0.78 -2.88 0.00 0.00 179.24 175.03 2wgo h ASP 32 N 1.11 0.92 -0.61 2.28 3.58 -1.34 0.37 116.42 122.73 2wgo h ASP 32 Ca 0.26 -0.69 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 2wgo h ASP 32 Cb 0.18 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2wgo h ASP 32 CO -0.03 1.48 0.34 0.40 -2.88 0.00 0.00 179.24 178.56 2wgo h ILE 33 N 0.44 1.19 0.02 2.25 2.04 -0.11 0.23 117.51 123.57 2wgo h ILE 33 Ca -0.10 -0.48 -0.26 0.00 1.00 0.00 0.00 64.86 65.03 2wgo h ILE 33 Cb 1.57 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2wgo h ILE 33 CO 0.18 0.21 -1.36 0.50 0.00 0.00 0.00 178.15 177.68 2wgo h LYS 34 N 0.87 0.04 -0.31 2.37 3.64 -0.57 0.22 116.57 122.83 2wgo h LYS 34 Ca 0.22 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2wgo h LYS 34 Cb 0.02 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2wgo h LYS 34 CO -0.04 0.82 -0.09 0.22 -2.27 0.00 0.00 179.45 178.10 2wgo h ASP 35 N 0.01 0.62 0.04 4.20 3.58 0.07 -1.32 116.42 123.62 2wgo h ASP 35 Ca -0.15 -0.37 -0.18 0.00 0.42 0.00 0.00 57.03 56.74 2wgo h ASP 35 Cb 1.90 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 2wgo h ASP 35 CO 0.11 0.85 -0.94 0.11 -2.88 0.00 0.00 179.24 176.49 2wgo h LYS 36 N 0.38 0.09 0.00 0.28 1.57 -0.61 -3.41 116.57 114.87 2wgo h LYS 36 Ca 0.08 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2wgo h LYS 36 Cb 0.58 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2wgo h LYS 36 CO 0.03 1.07 -0.64 0.66 -0.57 0.00 0.00 179.45 180.01 2wgo n TYR 37 N -4.31 0.00 -2.82 -1.35 4.01 0.67 -5.02 117.16 108.34 2wgo n TYR 37 Ca -0.23 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.42 2wgo n TYR 37 Cb 0.70 -0.05 0.04 0.00 -0.31 0.00 0.00 39.34 39.72 2wgo n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wgo n GLY 38 N 1.37 0.21 3.51 2.72 0.00 -0.50 -4.93 105.19 107.57 2wgo n GLY 38 Ca 0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.15 3.04 -0.35 1.61 1.01 -1.20 -4.92 120.40 116.45 2wgo s VAL 39 Ca 0.15 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 2wgo s VAL 39 Cb -0.06 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2wgo s VAL 39 CO 0.32 0.26 0.21 -0.62 0.00 0.00 0.00 175.10 175.26 2wgo s ASP 40 N -1.72 5.78 0.22 3.32 2.15 -1.26 -3.77 116.67 121.39 2wgo s ASP 40 Ca 0.17 -0.73 0.24 0.00 0.43 0.00 0.00 52.55 52.67 2wgo s ASP 40 Cb -0.11 -2.06 0.92 0.00 -0.30 0.00 0.00 42.92 41.37 2wgo s ASP 40 CO 0.08 -0.31 1.73 0.35 -0.17 0.00 0.00 175.17 176.86 2wgo n THR 41 N 5.03 0.73 0.04 1.71 -2.24 -1.26 -0.83 114.28 117.46 2wgo n THR 41 Ca -0.12 0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 2wgo n THR 41 Cb 0.48 -0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 67.63 2wgo n THR 41 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2wgo h LYS 42 N 0.00 0.30 0.00 -0.78 6.56 -1.94 -3.24 116.57 117.47 2wgo h LYS 42 Ca 0.00 -0.51 -0.02 0.00 -1.06 0.00 0.00 60.65 59.06 2wgo h LYS 42 Cb 0.50 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 2wgo h LYS 42 CO 0.00 1.24 -0.09 0.22 -2.06 0.00 0.00 179.45 178.77 2wgo h ASP 43 N -0.34 0.00 -3.07 0.86 3.58 -1.94 -3.44 116.42 112.07 2wgo h ASP 43 Ca -0.18 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.74 2wgo h ASP 43 Cb 1.69 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.81 2wgo h ASP 43 CO 0.14 0.09 0.94 -0.22 -2.88 0.00 0.00 179.24 177.30 2wgo s LEU 44 N -6.36 4.35 -0.51 2.28 2.96 -0.01 -4.94 118.68 116.45 2wgo s LEU 44 Ca 0.03 2.93 -0.18 0.00 -0.22 0.00 0.00 54.13 56.68 2wgo s LEU 44 Cb 0.08 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.22 2wgo s LEU 44 CO 0.61 -0.95 0.59 -0.75 -1.32 0.00 0.00 176.35 174.53 2wgo s LYS 45 N 0.15 3.08 -0.18 1.98 2.20 -1.07 -4.96 119.74 120.94 2wgo s LYS 45 Ca 0.68 -1.05 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 2wgo s LYS 45 Cb -0.49 -4.13 -0.00 0.00 -1.51 0.00 0.00 37.83 31.70 2wgo s LYS 45 CO 0.42 -1.23 1.09 0.42 -0.36 0.00 0.00 175.35 175.69 2wgo s ILE 46 N 2.42 4.59 -0.22 5.43 1.01 -1.26 0.26 121.20 133.43 2wgo s ILE 46 Ca 0.12 1.91 -0.19 0.00 0.00 0.00 0.00 60.65 62.49 2wgo s ILE 46 Cb -0.21 -4.23 -0.16 0.00 0.01 0.00 0.00 42.46 37.87 2wgo s ILE 46 CO 0.10 -0.12 0.04 0.18 0.00 0.00 0.00 174.94 175.14 2wgo n LEU 47 N 6.04 1.88 -3.59 2.97 4.77 0.19 -4.93 117.00 124.33 2wgo n LEU 47 Ca 0.12 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.33 2wgo n LEU 47 Cb 0.46 -0.92 -0.15 0.00 -2.33 0.00 0.00 43.42 40.48 2wgo n LEU 47 CO 0.53 0.25 -0.24 -0.75 -1.33 0.00 0.00 177.39 175.84 2wgo s LYS 48 N -2.39 0.10 -0.18 3.23 2.20 -0.86 -4.99 119.74 116.84 2wgo s LYS 48 Ca -0.29 0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.51 2wgo s LYS 48 Cb 0.07 -0.91 -0.05 0.00 -1.51 0.00 0.00 37.83 35.43 2wgo s LYS 48 CO 0.53 -0.51 0.20 0.99 -0.36 0.00 0.00 175.35 176.20 2wgo s THR 49 N 2.28 5.37 0.24 3.43 2.01 -1.25 -0.62 115.64 127.09 2wgo s THR 49 Ca 0.04 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.23 2wgo s THR 49 Cb -0.14 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 68.89 2wgo s THR 49 CO -0.09 0.42 0.74 -1.54 -0.69 0.00 0.00 174.62 173.46 2wgo n SER 50 N 3.53 -1.67 -4.07 3.53 3.41 -0.73 0.98 113.62 118.60 2wgo n SER 50 Ca -0.14 -2.04 -0.07 0.00 -0.26 0.00 0.00 58.87 56.35 2wgo n SER 50 Cb 0.52 2.76 -0.10 0.00 -0.26 0.00 0.00 64.21 67.13 2wgo n SER 50 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2wgo s GLU 51 N -2.06 0.61 0.00 4.33 -1.05 -1.26 -0.15 118.70 119.12 2wgo s GLU 51 Ca 0.16 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 2wgo s GLU 51 Cb -0.03 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2wgo s GLU 51 CO 0.07 -0.12 0.00 -3.47 0.95 0.00 0.00 175.26 172.70 2wgo n ASP 52 N 0.14 0.00 -4.56 0.83 -0.08 0.15 -4.43 116.55 108.62 2wgo n ASP 52 Ca -0.14 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.90 2wgo n ASP 52 Cb 0.61 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.01 2wgo n ASP 52 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2wgo s LYS 53 N 2.43 2.16 0.00 -0.67 -0.14 -1.26 -3.56 119.74 118.69 2wgo s LYS 53 Ca 0.00 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.82 2wgo s LYS 53 Cb 0.00 -4.86 0.00 0.00 -1.68 0.00 0.00 37.83 31.29 2wgo s LYS 53 CO 0.00 -3.73 0.00 0.54 -0.76 0.00 0.00 175.35 171.40 2wgo n ARG 54 N 8.88 0.00 -4.26 1.68 1.74 -1.26 -4.94 116.66 118.50 2wgo n ARG 54 Ca 0.41 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.17 2wgo n ARG 54 Cb 0.47 -2.40 -0.09 0.00 -1.02 0.00 0.00 32.46 29.42 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 -1.88 3.03 -0.03 -1.55 2.99 -1.23 -1.23 117.98 118.08 2wgo s PHE 55 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 56.93 56.89 2wgo s PHE 55 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 43.02 41.35 2wgo s PHE 55 CO 0.00 0.46 0.24 0.71 -0.00 0.00 0.00 175.22 176.63 2wgo s TYR 56 N -1.15 3.60 -0.25 0.36 2.02 0.69 0.34 117.35 122.96 2wgo s TYR 56 Ca 0.21 0.59 0.01 0.00 -0.37 0.00 0.00 57.07 57.51 2wgo s TYR 56 Cb -0.12 -2.00 0.07 0.00 -0.40 0.00 0.00 41.96 39.52 2wgo s TYR 56 CO 0.12 0.66 -0.01 0.71 -1.57 0.00 0.00 175.55 175.46 2wgo s TYR 57 N -1.20 2.34 -0.46 2.71 2.02 0.78 -0.72 117.35 122.83 2wgo s TYR 57 Ca 0.23 -1.82 -0.07 0.00 -0.37 0.00 0.00 57.07 55.05 2wgo s TYR 57 Cb -0.13 -1.70 0.12 0.00 -0.40 0.00 0.00 41.96 39.85 2wgo s TYR 57 CO 0.12 -0.79 0.31 0.08 -1.57 0.00 0.00 175.55 173.70 2wgo s VAL 58 N 1.41 3.91 -0.15 0.71 1.01 0.14 -1.77 120.40 125.67 2wgo s VAL 58 Ca -0.02 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 2wgo s VAL 58 Cb -0.19 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 2wgo s VAL 58 CO -0.09 -0.76 1.15 -0.55 0.00 0.00 0.00 175.10 174.85 2wgo s SER 59 N 2.32 7.06 0.12 3.32 0.15 0.21 0.34 113.70 127.22 2wgo s SER 59 Ca 0.07 1.61 0.05 0.00 0.70 0.00 0.00 55.95 58.39 2wgo s SER 59 Cb -0.25 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 2wgo s SER 59 CO -0.02 -0.64 -0.13 0.68 1.20 0.00 0.00 173.24 174.33 2wgo s VAL 60 N 2.87 1.22 -0.26 4.45 -7.23 0.79 0.54 120.40 122.78 2wgo s VAL 60 Ca 0.51 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.83 2wgo s VAL 60 Cb -0.20 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2wgo s VAL 60 CO 0.15 -0.49 0.18 -0.62 -0.31 0.00 0.00 175.10 174.01 2wgo s ASP 61 N -2.54 6.07 0.00 4.85 -1.08 0.14 -0.94 116.67 123.17 2wgo s ASP 61 Ca 0.09 0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.42 2wgo s ASP 61 Cb -0.04 -2.12 1.47 0.00 -1.46 0.00 0.00 42.92 40.78 2wgo s ASP 61 CO 0.02 -0.00 1.87 0.00 0.52 0.00 0.00 175.17 177.57 2wgo n ALA 62 N 4.73 2.41 0.00 3.66 0.00 -0.14 -2.60 120.51 128.57 2wgo n ALA 62 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2wgo n ALA 62 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.62 2.14 0.15 0.00 0.00 -1.26 -4.69 105.19 102.16 2wgo n GLY 63 Ca 0.18 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 1.61 1.82 -2.02 -3.46 116.42 114.37 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 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 2wgo n GLY 65 N 0.37 1.40 3.80 -0.78 0.00 -1.26 -5.11 105.19 103.61 2wgo n GLY 65 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 3.54 -0.25 1.61 -1.05 -1.26 -4.83 118.70 116.45 2wgo s GLU 66 Ca 0.00 1.25 0.01 0.00 -0.15 0.00 0.00 54.97 56.08 2wgo s GLU 66 Cb 0.00 -2.06 0.07 0.00 -0.44 0.00 0.00 34.13 31.70 2wgo s GLU 66 CO 0.00 -0.64 -0.04 0.15 0.95 0.00 0.00 175.26 175.69 2wgo s LYS 67 N -3.75 1.59 -0.14 -4.83 1.02 -1.26 -0.96 119.74 111.41 2wgo s LYS 67 Ca 0.65 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 2wgo s LYS 67 Cb -0.16 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 2wgo s LYS 67 CO 0.30 -0.66 -0.02 0.00 -0.92 0.00 0.00 175.35 174.06 2wgo s LYS 69 N -0.03 3.04 -0.13 0.00 2.47 0.11 -0.15 119.74 125.05 2wgo s LYS 69 Ca 0.02 -1.29 -0.29 0.00 -1.56 0.00 0.00 55.97 52.85 2wgo s LYS 69 Cb -0.13 -4.19 -0.04 0.00 -1.46 0.00 0.00 37.83 32.01 2wgo s LYS 69 CO 0.02 -1.27 1.69 -0.06 0.16 0.00 0.00 175.35 175.89 2wgo s PHE 70 N 2.16 1.95 -1.20 4.03 0.08 0.15 -2.50 117.98 122.66 2wgo s PHE 70 Ca 0.09 0.33 -0.09 0.00 0.12 0.00 0.00 56.93 57.38 2wgo s PHE 70 Cb -0.24 -3.95 0.22 0.00 -0.57 0.00 0.00 43.02 38.48 2wgo s PHE 70 CO 0.07 -3.56 1.62 1.17 -0.10 0.00 0.00 175.22 174.41 2wgo n LYS 71 N 7.46 3.82 -2.35 0.44 4.81 -0.72 -0.69 118.16 130.94 2wgo n LYS 71 Ca 0.19 -3.97 -0.36 0.00 -0.87 0.00 0.00 58.31 53.30 2wgo n LYS 71 Cb 0.44 -2.79 -0.04 0.00 0.02 0.00 0.00 35.03 32.66 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 -0.49 3.71 0.29 3.15 1.01 0.10 -2.69 121.20 126.27 2wgo s ILE 72 Ca 0.37 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 2wgo s ILE 72 Cb 0.04 -4.61 -0.11 0.00 0.01 0.00 0.00 42.46 37.79 2wgo s ILE 72 CO 0.02 -1.52 1.51 -0.60 0.00 0.00 0.00 174.94 174.36 2wgo s ARG 73 N 5.87 4.18 1.26 2.79 3.52 -1.26 -0.23 118.95 135.10 2wgo s ARG 73 Ca 0.55 2.46 -0.16 0.00 -0.13 0.00 0.00 55.73 58.45 2wgo s ARG 73 Cb -0.04 -3.05 0.32 0.00 -1.56 0.00 0.00 34.95 30.62 2wgo s ARG 73 CO -0.03 -0.52 0.95 1.63 -0.81 0.00 0.00 175.30 176.52 2wgo n LYS 74 N 2.01 -3.15 0.00 5.12 5.02 -0.36 -4.61 118.16 122.19 2wgo n LYS 74 Ca 0.07 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 2wgo n LYS 74 Cb 0.39 -2.09 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 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 -5.14 1.94 0.00 4.39 2.03 0.19 -3.64 116.55 116.31 2wgo n ASP 75 Ca 0.04 -1.45 0.01 0.00 0.52 0.00 0.00 54.79 53.92 2wgo n ASP 75 Cb 0.56 -0.36 0.08 0.00 -0.72 0.00 0.00 41.12 40.67 2wgo n ASP 75 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2wgo n VAL 76 N 0.56 0.00 0.00 5.18 3.14 -0.89 -3.20 118.33 123.12 2wgo n VAL 76 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wgo n VAL 76 Cb 0.33 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 2wgo n VAL 76 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2wgo n ASP 77 N -0.56 0.00 -4.24 6.55 -0.08 -1.26 -4.05 116.55 112.92 2wgo n ASP 77 Ca 0.02 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 53.04 2wgo n ASP 77 Cb 0.01 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.32 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 0.00 1.65 -1.29 5.18 -7.23 -1.24 -5.00 120.40 112.48 2wgo s VAL 78 Ca 0.00 -1.05 0.08 0.00 -1.81 0.00 0.00 61.98 59.20 2wgo s VAL 78 Cb 0.00 -1.41 0.34 0.00 0.56 0.00 0.00 36.38 35.87 2wgo s VAL 78 CO 0.00 0.33 1.16 -0.81 -0.31 0.00 0.00 175.10 175.46 2wgo n PRO 79 N 2.19 2.31 -4.15 4.82 -0.04 -1.26 -3.15 135.00 135.73 2wgo n PRO 79 Ca -0.16 -1.34 -0.18 0.00 -0.04 0.00 0.00 63.50 61.78 2wgo n PRO 79 Cb 0.53 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 2wgo n PRO 79 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wgo n LYS 80 N 0.38 0.53 -2.70 0.54 5.02 -1.26 -0.07 118.16 120.60 2wgo n LYS 80 Ca 0.12 -3.15 -0.43 0.00 -2.02 0.00 0.00 58.31 52.84 2wgo n LYS 80 Cb 0.50 2.74 -0.03 0.00 -0.02 0.00 0.00 35.03 38.22 2wgo n LYS 80 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2wgo s MET 81 N -3.15 4.09 0.45 1.97 -1.94 -1.26 -4.00 119.30 115.46 2wgo s MET 81 Ca 0.36 1.05 0.15 0.00 -1.71 0.00 0.00 55.69 55.54 2wgo s MET 81 Cb 0.01 -3.71 1.08 0.00 2.01 0.00 0.00 34.83 34.22 2wgo s MET 81 CO 0.26 -0.80 2.00 -0.24 -0.01 0.00 0.00 175.02 176.23 2wgo h VAL 82 N 5.65 0.90 -2.14 -6.03 3.04 -1.82 -3.46 116.25 112.39 2wgo h VAL 82 Ca -0.21 -0.11 0.04 0.00 -1.01 0.00 0.00 66.70 65.41 2wgo h VAL 82 Cb 1.07 0.54 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2wgo h VAL 82 CO 0.99 0.06 0.21 0.61 -1.01 0.00 0.00 177.57 178.43 2wgo n GLY 83 N -1.53 1.20 2.90 3.17 0.00 -1.10 -5.03 105.19 104.80 2wgo n GLY 83 Ca 0.08 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 45.07 2wgo n GLY 83 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wgo s ARG 84 N -2.03 0.32 -0.15 1.61 3.52 -1.26 -1.75 118.95 119.21 2wgo s ARG 84 Ca 0.09 -0.08 -0.04 0.00 -0.13 0.00 0.00 55.73 55.57 2wgo s ARG 84 Cb -0.02 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.39 2wgo s ARG 84 CO 0.03 -0.47 -0.02 0.21 -0.81 0.00 0.00 175.30 174.24 2wgo s LYS 85 N 2.03 3.62 -0.04 5.12 2.20 -1.04 -4.90 119.74 126.73 2wgo s LYS 85 Ca 0.16 -0.47 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 2wgo s LYS 85 Cb 0.01 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 2wgo s LYS 85 CO -0.14 0.32 0.77 0.00 -0.36 0.00 0.00 175.35 175.94 2wgo s ARG 87 N 0.77 1.32 -0.07 0.00 0.52 -0.31 -4.87 118.95 116.31 2wgo s ARG 87 Ca 0.41 -2.28 0.10 0.00 -0.52 0.00 0.00 55.73 53.44 2wgo s ARG 87 Cb -0.19 -2.11 0.40 0.00 0.52 0.00 0.00 34.95 33.58 2wgo s ARG 87 CO 0.21 -1.28 1.23 1.17 0.02 0.00 0.00 175.30 176.64 2wgo n LYS 88 N 2.96 2.57 0.00 3.54 4.81 -1.24 -3.43 118.16 127.38 2wgo n LYS 88 Ca 0.20 -1.58 0.00 0.00 -0.87 0.00 0.00 58.31 56.05 2wgo n LYS 88 Cb 0.40 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.81 2wgo n LYS 88 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2wgo n ASP 89 N 0.49 0.00 -3.71 3.14 2.03 -1.26 -4.99 116.55 112.25 2wgo n ASP 89 Ca 0.14 -0.52 -0.13 0.00 0.52 0.00 0.00 54.79 54.81 2wgo n ASP 89 Cb 0.57 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 2wgo n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wgo s ASP 90 N 0.00 -0.23 0.09 1.67 2.15 -1.22 -5.09 116.67 114.04 2wgo s ASP 90 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.97 2wgo s ASP 90 Cb 0.00 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 2wgo s ASP 90 CO 0.00 -0.60 0.00 -0.67 -0.17 0.00 0.00 175.17 173.73 2wgo n ASP 91 N 0.72 0.67 -4.59 -0.34 2.03 -1.26 -4.65 116.55 109.12 2wgo n ASP 91 Ca -0.19 0.13 -0.42 0.00 0.52 0.00 0.00 54.79 54.83 2wgo n ASP 91 Cb 0.59 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 2wgo n ASP 91 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2wgo s ASP 92 N -5.61 5.60 0.52 1.67 1.11 -1.26 -4.94 116.67 113.75 2wgo s ASP 92 Ca 0.00 1.33 0.07 0.00 0.18 0.00 0.00 52.55 54.13 2wgo s ASP 92 Cb 0.00 -2.52 0.03 0.00 1.07 0.00 0.00 42.92 41.50 2wgo s ASP 92 CO 0.00 -1.94 0.46 1.51 1.18 0.00 0.00 175.17 176.39 2wgo s ASP 93 N 7.35 4.80 0.08 0.27 3.84 -1.26 -5.08 116.67 126.66 2wgo s ASP 93 Ca 0.85 -1.07 0.00 0.00 -0.00 0.00 0.00 52.55 52.33 2wgo s ASP 93 Cb -0.24 0.17 0.00 0.00 -1.38 0.00 0.00 42.92 41.47 2wgo s ASP 93 CO 0.32 -1.04 0.00 0.47 -0.00 0.00 0.00 175.17 174.92 2wgo n ASP 94 N -1.79 0.59 -3.69 2.11 9.92 -1.26 -5.11 116.55 117.31 2wgo n ASP 94 Ca 0.03 0.11 -0.12 0.00 -0.53 0.00 0.00 54.79 54.28 2wgo n ASP 94 Cb 0.63 -0.15 -0.09 0.00 -0.64 0.00 0.00 41.12 40.87 2wgo n ASP 94 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2wgo s GLY 95 N -3.73 -0.40 0.00 0.44 0.00 -1.26 -5.03 107.32 97.34 2wgo s GLY 95 Ca 0.00 1.59 0.10 0.00 0.00 0.00 0.00 44.72 46.41 2wgo s GLY 95 CO 0.00 1.51 0.81 -1.72 0.00 0.00 0.00 173.10 173.71