#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwd n ALA 2 N 0.00 0.00 -0.34 3.04 0.00 -1.26 -4.51 120.51 117.44 1jwd n ALA 2 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1jwd n ALA 2 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1jwd n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jwd n SER 3 N 1.62 -0.35 0.01 0.00 7.64 -1.26 -0.63 113.62 120.65 1jwd n SER 3 Ca 0.00 1.64 0.04 0.00 1.01 0.00 0.00 58.87 61.55 1jwd n SER 3 Cb 0.00 -0.49 0.42 0.00 -1.01 0.00 0.00 64.21 63.13 1jwd n SER 3 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jwd h PRO 4 N 0.00 0.51 0.10 1.43 0.11 -2.02 -0.62 132.00 131.51 1jwd h PRO 4 Ca 0.45 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.35 1jwd h PRO 4 Cb 0.69 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.70 1jwd h PRO 4 CO -0.98 0.37 -0.79 1.25 -0.21 0.00 0.00 178.00 177.64 1jwd h LEU 5 N 0.52 0.32 -0.65 2.35 5.85 -1.34 -3.37 115.31 119.00 1jwd h LEU 5 Ca 0.14 -0.92 0.13 0.00 0.84 0.00 0.00 57.88 58.07 1jwd h LEU 5 Cb -0.01 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 40.82 1jwd h LEU 5 CO -0.03 1.36 0.10 0.44 -0.34 0.00 0.00 178.44 179.98 1jwd h ASP 6 N -0.53 -0.09 -0.82 1.25 3.32 -0.31 0.24 116.42 119.48 1jwd h ASP 6 Ca -0.16 0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.13 1jwd h ASP 6 Cb 1.51 0.21 -0.07 0.00 0.22 0.00 0.00 39.33 41.19 1jwd h ASP 6 CO 0.08 -0.05 0.47 0.06 -1.72 0.00 0.00 179.24 178.08 1jwd h GLN 7 N 0.21 0.76 0.14 3.56 3.07 -1.32 0.22 115.11 121.75 1jwd h GLN 7 Ca 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 59.04 1jwd h GLN 7 Cb 0.57 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 27.96 1jwd h GLN 7 CO -0.48 0.50 -0.07 0.00 0.09 0.00 0.00 178.83 178.87 1jwd h ALA 8 N 1.46 -0.18 -0.81 0.06 0.00 -0.73 0.18 119.26 119.24 1jwd h ALA 8 Ca 0.40 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1jwd h ALA 8 Cb 0.38 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1jwd h ALA 8 CO -0.25 -0.34 0.49 -0.84 0.00 0.00 0.00 179.25 178.31 1jwd h ILE 9 N -0.70 1.04 -0.76 0.00 3.07 -1.21 -1.00 117.51 117.95 1jwd h ILE 9 Ca -0.02 -0.31 0.18 0.00 1.55 0.00 0.00 64.86 66.25 1jwd h ILE 9 Cb 0.52 0.05 -0.13 0.00 -0.27 0.00 0.00 36.82 36.99 1jwd h ILE 9 CO 0.03 0.17 0.06 1.23 -1.05 0.00 0.00 178.15 178.59 1jwd h GLY 10 N 0.91 0.93 0.57 0.16 0.00 -0.32 -0.12 103.07 105.21 1jwd h GLY 10 Ca 0.35 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 1jwd h GLY 10 CO -0.16 -0.28 -0.50 -2.00 0.00 0.00 0.00 176.54 173.59 1jwd h LEU 11 N 0.14 -1.35 -0.66 3.11 7.12 0.73 0.22 115.31 124.62 1jwd h LEU 11 Ca 0.43 0.10 0.11 0.00 0.13 0.00 0.00 57.88 58.64 1jwd h LEU 11 Cb 0.77 0.43 -0.08 0.00 -0.53 0.00 0.00 40.66 41.25 1jwd h LEU 11 CO -0.63 -0.69 0.26 -0.07 -0.13 0.00 0.00 178.44 177.18 1jwd h LEU 12 N -1.05 0.26 -0.13 2.25 4.07 -1.19 0.29 115.31 119.81 1jwd h LEU 12 Ca -0.07 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1jwd h LEU 12 Cb 0.89 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1jwd h LEU 12 CO -0.02 0.14 0.05 0.40 -1.08 0.00 0.00 178.44 177.92 1jwd h ILE 13 N 0.44 1.16 0.19 1.22 2.04 -0.73 0.21 117.51 122.04 1jwd h ILE 13 Ca 0.34 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jwd h ILE 13 Cb 0.44 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1jwd h ILE 13 CO -0.33 0.15 -0.15 1.23 0.00 0.00 0.00 178.15 179.05 1jwd h GLY 14 N 0.04 -0.34 0.09 5.37 0.00 -0.07 0.16 103.07 108.32 1jwd h GLY 14 Ca 0.04 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.60 1jwd h GLY 14 CO -0.00 -0.15 -0.25 -2.22 0.00 0.00 0.00 176.54 173.92 1jwd h ILE 15 N -0.35 0.37 0.49 2.60 2.04 -0.89 0.69 117.51 122.46 1jwd h ILE 15 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1jwd h ILE 15 Cb 0.31 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1jwd h ILE 15 CO -0.01 0.00 -0.40 0.15 0.00 0.00 0.00 178.15 177.89 1jwd h PHE 16 N -0.24 -1.08 0.00 1.37 3.57 -0.57 -3.17 116.94 116.82 1jwd h PHE 16 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1jwd h PHE 16 Cb 0.47 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1jwd h PHE 16 CO -0.42 -0.57 0.00 1.25 -2.23 0.00 0.00 178.31 176.34 1jwd h HIS 17 N -0.88 0.00 0.26 0.41 2.76 -0.47 0.67 115.15 117.91 1jwd h HIS 17 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1jwd h HIS 17 Cb 0.75 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.69 1jwd h HIS 17 CO -0.18 0.00 -0.26 -0.22 -1.30 0.00 0.00 177.93 175.97 1jwd h LYS 18 N 0.00 -0.54 -0.25 5.26 3.64 -0.84 0.35 116.57 124.20 1jwd h LYS 18 Ca 0.00 0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1jwd h LYS 18 Cb 0.77 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1jwd h LYS 18 CO 0.00 -0.36 -0.39 1.88 -2.27 0.00 0.00 179.45 178.31 1jwd h TYR 19 N -0.56 0.87 -0.17 1.91 0.05 -1.46 0.19 116.97 117.80 1jwd h TYR 19 Ca -0.01 -0.30 -0.06 0.00 0.05 0.00 0.00 58.73 58.41 1jwd h TYR 19 Cb 0.52 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1jwd h TYR 19 CO -0.17 1.07 -0.17 0.77 -1.05 0.00 0.00 178.16 178.60 1jwd h SER 20 N 0.42 0.28 -0.13 3.88 0.02 -0.87 -1.94 113.55 115.21 1jwd h SER 20 Ca 0.02 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1jwd h SER 20 Cb 0.99 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1jwd h SER 20 CO 0.09 0.47 0.03 1.23 -1.14 0.00 0.00 176.83 177.51 1jwd h GLY 21 N 0.86 0.22 -0.43 -3.77 0.00 -0.16 0.54 103.07 100.33 1jwd h GLY 21 Ca 0.05 -0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.41 1jwd h GLY 21 CO 0.03 0.13 -0.05 1.70 0.00 0.00 0.00 176.54 178.35 1jwd h LYS 22 N 0.01 0.07 -3.94 4.80 3.64 -0.15 -2.05 116.57 118.94 1jwd h LYS 22 Ca 0.04 -0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.77 1jwd h LYS 22 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1jwd h LYS 22 CO 0.00 0.04 2.91 -0.85 -2.27 0.00 0.00 179.45 179.29 1jwd n GLU 23 N -5.39 2.45 0.00 1.90 0.28 -1.10 -4.76 120.64 114.03 1jwd n GLU 23 Ca 0.13 -2.17 0.00 0.00 -0.16 0.00 0.00 57.16 54.96 1jwd n GLU 23 Cb 0.46 -3.00 0.00 0.00 1.43 0.00 0.00 31.44 30.33 1jwd n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jwd n GLY 24 N 4.12 1.34 0.00 -1.84 0.00 -0.78 -3.75 105.19 104.29 1jwd n GLY 24 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1jwd n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jwd n ASP 25 N 2.70 0.00 -4.58 1.61 2.03 -1.15 -4.89 116.55 112.27 1jwd n ASP 25 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 1jwd n ASP 25 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1jwd n ASP 25 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1jwd s LYS 26 N 0.00 2.03 -0.29 -0.67 -0.14 0.18 -4.98 119.74 115.87 1jwd s LYS 26 Ca 0.00 -1.63 0.09 0.00 -1.36 0.00 0.00 55.97 53.06 1jwd s LYS 26 Cb 0.00 -1.96 0.50 0.00 -1.68 0.00 0.00 37.83 34.69 1jwd s LYS 26 CO 0.00 0.28 1.44 0.72 -0.76 0.00 0.00 175.35 177.03 1jwd n HIS 27 N -0.82 1.04 -3.68 3.18 8.25 -1.26 -4.08 115.22 117.85 1jwd n HIS 27 Ca -0.05 -1.65 -0.14 0.00 -0.26 0.00 0.00 57.72 55.62 1jwd n HIS 27 Cb 0.60 -0.48 -0.08 0.00 1.12 0.00 0.00 29.99 31.15 1jwd n HIS 27 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1jwd s THR 28 N -3.32 0.00 -0.19 1.59 -1.32 -1.26 -3.18 115.64 107.96 1jwd s THR 28 Ca 0.44 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.80 1jwd s THR 28 Cb 0.41 -0.79 -0.05 0.00 -1.51 0.00 0.00 72.50 70.56 1jwd s THR 28 CO -0.01 -0.00 0.19 -0.76 -2.21 0.00 0.00 174.62 171.82 1jwd s LEU 29 N 0.23 4.21 0.90 9.08 1.43 0.17 -4.77 118.68 129.93 1jwd s LEU 29 Ca -0.01 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 1jwd s LEU 29 Cb -0.04 -2.19 0.14 0.00 0.03 0.00 0.00 46.19 44.13 1jwd s LEU 29 CO 0.01 0.14 1.21 -0.55 0.23 0.00 0.00 176.35 177.39 1jwd s SER 30 N 0.46 3.68 0.05 2.29 0.15 -1.26 -0.21 113.70 118.86 1jwd s SER 30 Ca 0.11 0.66 -0.25 0.00 0.70 0.00 0.00 55.95 57.16 1jwd s SER 30 Cb -0.12 -1.02 -0.13 0.00 -1.71 0.00 0.00 66.02 63.04 1jwd s SER 30 CO 0.01 -2.42 1.39 0.11 1.20 0.00 0.00 173.24 173.53 1jwd h LYS 31 N -1.41 -0.77 -0.67 5.44 1.57 -1.97 0.14 116.57 118.89 1jwd h LYS 31 Ca -0.46 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 1jwd h LYS 31 Cb 1.30 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.75 1jwd h LYS 31 CO 0.55 -0.51 0.31 -0.22 -0.57 0.00 0.00 179.45 179.01 1jwd h LYS 32 N -0.80 0.95 -0.38 3.15 3.11 -1.94 -0.44 116.57 120.21 1jwd h LYS 32 Ca -0.07 -0.13 -0.01 0.00 -2.81 0.00 0.00 60.65 57.64 1jwd h LYS 32 Cb 0.66 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1jwd h LYS 32 CO 0.04 0.74 0.22 1.49 -2.81 0.00 0.00 179.45 179.12 1jwd h GLU 33 N 0.94 0.53 -0.05 1.90 4.57 -1.86 0.17 114.58 120.79 1jwd h GLU 33 Ca 0.23 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1jwd h GLU 33 Cb 0.11 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1jwd h GLU 33 CO -0.03 0.42 -0.06 1.25 -1.18 0.00 0.00 179.01 179.41 1jwd h LEU 34 N 0.49 -0.20 -0.65 1.64 7.12 -0.21 0.63 115.31 124.14 1jwd h LEU 34 Ca 0.14 0.04 0.14 0.00 0.13 0.00 0.00 57.88 58.32 1jwd h LEU 34 Cb 0.04 0.10 -0.10 0.00 -0.53 0.00 0.00 40.66 40.17 1jwd h LEU 34 CO -0.02 -0.09 0.06 0.50 -0.13 0.00 0.00 178.44 178.76 1jwd h LYS 35 N -0.09 0.17 -0.14 1.25 1.63 -0.57 0.90 116.57 119.72 1jwd h LYS 35 Ca 0.04 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1jwd h LYS 35 Cb 0.15 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1jwd h LYS 35 CO -0.10 0.11 0.01 1.49 -3.45 0.00 0.00 179.45 177.51 1jwd h GLU 36 N 0.17 0.06 -0.47 1.90 4.57 0.01 0.10 114.58 120.93 1jwd h GLU 36 Ca 0.35 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.62 1jwd h GLU 36 Cb 0.57 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.05 1jwd h GLU 36 CO -0.51 0.04 -0.19 1.25 -1.18 0.00 0.00 179.01 178.42 1jwd h LEU 37 N 0.07 -0.66 -0.38 1.64 6.46 0.20 -1.52 115.31 121.12 1jwd h LEU 37 Ca 0.06 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1jwd h LEU 37 Cb 0.06 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1jwd h LEU 37 CO -0.09 -0.22 0.13 0.40 -0.62 0.00 0.00 178.44 178.04 1jwd h ILE 38 N -0.09 1.21 -0.93 4.05 2.04 -0.14 0.18 117.51 123.83 1jwd h ILE 38 Ca 0.22 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.49 1jwd h ILE 38 Cb 0.43 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1jwd h ILE 38 CO -0.53 0.23 0.59 1.56 0.00 0.00 0.00 178.15 180.00 1jwd h GLN 39 N 0.47 1.01 0.02 2.37 1.08 -0.29 0.40 115.11 120.16 1jwd h GLN 39 Ca 0.12 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1jwd h GLN 39 Cb 0.23 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1jwd h GLN 39 CO -0.01 0.67 -0.01 -0.22 -0.95 0.00 0.00 178.83 178.31 1jwd h LYS 40 N 1.04 -0.02 0.63 1.46 1.63 -0.98 -3.08 116.57 117.25 1jwd h LYS 40 Ca 0.42 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.19 1jwd h LYS 40 Cb 0.23 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.87 1jwd h LYS 40 CO -0.19 0.47 -0.30 1.49 -3.45 0.00 0.00 179.45 177.46 1jwd h GLU 41 N -0.52 -0.81 -2.59 1.90 4.81 -0.23 -3.36 114.58 113.78 1jwd h GLU 41 Ca -0.00 0.06 -0.70 0.00 -0.13 0.00 0.00 59.36 58.59 1jwd h GLU 41 Cb 0.50 0.18 -0.36 0.00 0.63 0.00 0.00 28.75 29.71 1jwd h GLU 41 CO 0.00 -0.52 0.03 1.28 -0.73 0.00 0.00 179.01 179.08 1jwd n LEU 42 N -5.34 4.93 -4.04 1.64 4.77 0.14 -5.00 117.00 114.10 1jwd n LEU 42 Ca -0.11 -5.33 -0.36 0.00 -0.03 0.00 0.00 56.01 50.19 1jwd n LEU 42 Cb 0.35 -0.96 -0.07 0.00 -2.33 0.00 0.00 43.42 40.41 1jwd n LEU 42 CO 0.28 1.87 1.74 0.41 -1.33 0.00 0.00 177.39 180.35 1jwd n THR 43 N 1.16 1.51 -0.15 -5.08 -1.04 -1.16 -4.52 114.28 105.00 1jwd n THR 43 Ca 0.28 -1.44 0.20 0.00 -2.04 0.00 0.00 64.05 61.04 1jwd n THR 43 Cb 0.37 -2.20 0.59 0.00 -1.82 0.00 0.00 70.33 67.27 1jwd n THR 43 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 1jwd h ILE 44 N 5.33 0.71 0.00 12.58 -2.65 -1.87 -3.45 117.51 128.15 1jwd h ILE 44 Ca 0.30 -0.08 0.00 0.00 1.03 0.00 0.00 64.86 66.10 1jwd h ILE 44 Cb 0.80 0.45 0.00 0.00 -2.05 0.00 0.00 36.82 36.01 1jwd h ILE 44 CO 1.63 0.04 0.00 0.61 0.03 0.00 0.00 178.15 180.46 1jwd n GLY 45 N -1.58 1.36 3.46 0.16 0.00 -1.26 -4.80 105.19 102.52 1jwd n GLY 45 Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1jwd n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jwd n SER 46 N 3.01 1.65 0.24 1.61 7.64 -1.26 -4.78 113.62 121.73 1jwd n SER 46 Ca 0.00 -2.56 0.16 0.00 1.01 0.00 0.00 58.87 57.48 1jwd n SER 46 Cb 0.00 -1.13 0.73 0.00 -1.01 0.00 0.00 64.21 62.80 1jwd n SER 46 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jwd h LYS 47 N 10.05 0.00 -0.98 1.43 1.79 -2.01 0.98 116.57 127.84 1jwd h LYS 47 Ca 0.21 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.89 1jwd h LYS 47 Cb 0.81 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.34 1jwd h LYS 47 CO 1.63 0.00 0.57 -0.07 -1.08 0.00 0.00 179.45 180.50 1jwd h LEU 48 N 0.00 0.67 0.00 2.94 -0.00 -2.00 0.11 115.31 117.03 1jwd h LEU 48 Ca 0.07 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1jwd h LEU 48 Cb 0.96 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1jwd h LEU 48 CO -0.00 0.17 0.00 0.00 -0.00 0.00 0.00 178.44 178.61 1jwd n GLN 49 N -4.86 0.02 -0.26 1.13 6.02 0.34 -2.81 117.38 116.96 1jwd n GLN 49 Ca 0.24 0.34 0.25 0.00 -0.01 0.00 0.00 57.00 57.82 1jwd n GLN 49 Cb 0.64 -1.50 0.61 0.00 1.02 0.00 0.00 30.24 31.01 1jwd n GLN 49 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1jwd h ASP 50 N 0.00 0.24 -0.26 1.08 3.32 -0.95 0.34 116.42 120.19 1jwd h ASP 50 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1jwd h ASP 50 Cb 0.12 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1jwd h ASP 50 CO 0.00 0.07 -0.12 0.00 -1.72 0.00 0.00 179.24 177.46 1jwd h ALA 51 N 1.56 0.09 -0.55 3.45 0.00 -1.74 0.22 119.26 122.29 1jwd h ALA 51 Ca 0.51 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1jwd h ALA 51 Cb 1.60 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 1jwd h ALA 51 CO -0.14 -0.53 0.32 0.93 0.00 0.00 0.00 179.25 179.84 1jwd h GLU 52 N -0.09 0.75 -0.48 0.00 5.08 -0.64 -0.98 114.58 118.22 1jwd h GLU 52 Ca 0.14 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1jwd h GLU 52 Cb 0.30 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1jwd h GLU 52 CO -0.32 0.55 0.26 0.82 -1.00 0.00 0.00 179.01 179.32 1jwd h ILE 53 N 0.74 0.99 -0.24 3.13 1.08 -0.50 0.70 117.51 123.41 1jwd h ILE 53 Ca 0.20 -0.18 -0.11 0.00 -0.39 0.00 0.00 64.86 64.38 1jwd h ILE 53 Cb 0.00 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 1jwd h ILE 53 CO -0.04 0.09 -0.32 -0.37 -0.69 0.00 0.00 178.15 176.83 1jwd h VAL 54 N 0.51 1.28 0.15 1.67 -1.51 -0.22 0.25 116.25 118.38 1jwd h VAL 54 Ca 0.21 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.27 1jwd h VAL 54 Cb 0.09 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1jwd h VAL 54 CO -0.13 0.44 -0.12 0.50 -1.23 0.00 0.00 177.57 177.03 1jwd h LYS 55 N 0.42 -0.28 -0.70 5.19 1.63 -0.70 0.13 116.57 122.27 1jwd h LYS 55 Ca 0.05 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.95 1jwd h LYS 55 Cb 0.77 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 32.39 1jwd h LYS 55 CO 0.06 -0.18 0.36 1.25 -3.45 0.00 0.00 179.45 177.49 1jwd h LEU 56 N -0.29 0.50 -0.69 5.20 6.46 -0.60 0.49 115.31 126.38 1jwd h LEU 56 Ca -0.00 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1jwd h LEU 56 Cb 0.26 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1jwd h LEU 56 CO -0.02 0.30 0.43 -0.03 -0.62 0.00 0.00 178.44 178.50 1jwd h MET 57 N 0.63 0.83 -0.24 1.25 4.05 -0.18 0.86 114.93 122.13 1jwd h MET 57 Ca 0.33 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1jwd h MET 57 Cb 0.30 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1jwd h MET 57 CO -0.24 0.55 0.16 0.22 0.23 0.00 0.00 176.91 177.83 1jwd h ASP 58 N 0.85 0.27 -0.45 1.39 3.58 0.38 0.18 116.42 122.62 1jwd h ASP 58 Ca 0.27 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.79 1jwd h ASP 58 Cb 0.00 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 40.92 1jwd h ASP 58 CO -0.10 0.20 0.10 0.44 -2.88 0.00 0.00 179.24 177.00 1jwd h ASP 59 N 0.32 0.03 0.40 2.28 3.32 -0.19 0.99 116.42 123.57 1jwd h ASP 59 Ca 0.09 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1jwd h ASP 59 Cb -0.04 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1jwd h ASP 59 CO -0.02 0.05 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.10 1jwd h LEU 60 N 0.24 -1.03 -1.51 1.55 3.38 -0.50 -3.18 115.31 114.27 1jwd h LEU 60 Ca 0.22 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 1jwd h LEU 60 Cb 0.28 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1jwd h LEU 60 CO -0.28 -0.53 -0.25 -2.24 0.09 0.00 0.00 178.44 175.23 1jwd h ASP 61 N -0.79 0.00 -0.96 -0.43 3.04 -0.13 -3.18 116.42 113.96 1jwd h ASP 61 Ca -0.03 0.00 0.28 0.00 -3.24 0.00 0.00 57.03 54.04 1jwd h ASP 61 Cb 0.71 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 38.85 1jwd h ASP 61 CO -0.05 0.25 0.46 -0.09 -2.04 0.00 0.00 179.24 177.76 1jwd h ARG 62 N 0.00 0.31 -0.84 4.15 2.43 -0.80 0.53 114.38 120.16 1jwd h ARG 62 Ca -0.00 -0.02 0.34 0.00 -0.81 0.00 0.00 59.98 59.49 1jwd h ARG 62 Cb 0.52 -0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 29.85 1jwd h ARG 62 CO 0.03 0.20 0.42 0.27 -1.51 0.00 0.00 179.97 179.38 1jwd n ASN 63 N -5.09 0.26 -2.92 -3.80 0.23 -1.20 -1.76 115.26 100.98 1jwd n ASN 63 Ca 0.28 1.40 -0.13 0.00 -0.53 0.00 0.00 54.58 55.59 1jwd n ASN 63 Cb 0.85 -0.67 0.04 0.00 -2.08 0.00 0.00 39.78 37.92 1jwd n ASN 63 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1jwd n LYS 64 N -4.92 1.01 0.00 -3.83 3.00 -0.01 -5.05 118.16 108.36 1jwd n LYS 64 Ca 0.31 -2.58 0.00 0.00 -0.00 0.00 0.00 58.31 56.03 1jwd n LYS 64 Cb 1.05 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.80 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jwd n ASP 65 N 0.26 0.00 0.07 3.14 5.68 -0.09 -1.94 116.55 123.67 1jwd n ASP 65 Ca 0.14 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.32 1jwd n ASP 65 Cb 0.70 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.66 1jwd n ASP 65 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1jwd h GLN 66 N 0.00 0.30 -4.94 0.11 1.08 -1.91 -3.37 115.11 106.38 1jwd h GLN 66 Ca 0.00 -0.31 -0.33 0.00 -1.45 0.00 0.00 58.65 56.56 1jwd h GLN 66 Cb 0.00 0.09 -0.20 0.00 -0.05 0.00 0.00 27.48 27.31 1jwd h GLN 66 CO 0.00 1.00 -0.75 -1.21 -0.95 0.00 0.00 178.83 176.93 1jwd s GLU 67 N -3.30 0.72 -0.59 1.46 2.02 -0.82 -3.92 118.70 114.27 1jwd s GLU 67 Ca -0.04 -0.94 -0.19 0.00 0.02 0.00 0.00 54.97 53.81 1jwd s GLU 67 Cb 0.10 -0.53 0.09 0.00 0.10 0.00 0.00 34.13 33.88 1jwd s GLU 67 CO 0.84 0.10 0.73 0.08 0.02 0.00 0.00 175.26 177.03 1jwd s VAL 68 N -1.67 4.76 0.41 2.63 1.01 0.71 -3.82 120.40 124.43 1jwd s VAL 68 Ca -0.03 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1jwd s VAL 68 Cb -0.08 -4.49 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 1jwd s VAL 68 CO 0.01 -1.12 0.96 0.20 0.00 0.00 0.00 175.10 175.14 1jwd s ASN 69 N 3.49 6.97 0.11 3.32 0.01 -1.26 -0.66 114.94 126.92 1jwd s ASN 69 Ca 0.14 1.74 -0.24 0.00 -0.71 0.00 0.00 52.86 53.78 1jwd s ASN 69 Cb -0.22 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 38.82 1jwd s ASN 69 CO 0.08 -0.34 1.41 0.15 -1.51 0.00 0.00 177.10 176.89 1jwd h PHE 70 N 2.12 -1.36 -0.13 2.20 3.57 -1.94 0.18 116.94 121.57 1jwd h PHE 70 Ca -0.49 0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.10 1jwd h PHE 70 Cb 1.19 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 1jwd h PHE 70 CO 0.61 -0.34 0.09 0.37 -2.23 0.00 0.00 178.31 176.82 1jwd h GLN 71 N -0.18 0.12 -0.02 1.11 4.15 -1.93 -0.12 115.11 118.24 1jwd h GLN 71 Ca 0.08 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.26 1jwd h GLN 71 Cb 0.40 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.07 1jwd h GLN 71 CO -0.56 0.08 -0.94 0.93 -1.93 0.00 0.00 178.83 176.42 1jwd h GLU 72 N 0.13 0.54 -0.05 1.69 4.39 -1.28 0.10 114.58 120.10 1jwd h GLU 72 Ca 0.05 -0.55 0.03 0.00 0.34 0.00 0.00 59.36 59.23 1jwd h GLU 72 Cb 0.06 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 1jwd h GLU 72 CO -0.01 1.18 -0.14 -0.92 -1.16 0.00 0.00 179.01 177.96 1jwd h TYR 73 N 0.32 -0.36 0.00 4.33 3.20 0.28 0.17 116.97 124.91 1jwd h TYR 73 Ca -0.09 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1jwd h TYR 73 Cb 1.57 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.98 1jwd h TYR 73 CO 0.07 -0.21 -0.17 0.82 -1.64 0.00 0.00 178.16 177.04 1jwd h ILE 74 N -0.21 0.59 -0.56 1.81 1.08 -0.90 0.52 117.51 119.85 1jwd h ILE 74 Ca 0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.61 1jwd h ILE 74 Cb 0.30 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 1jwd h ILE 74 CO -0.18 0.00 0.21 0.74 -0.69 0.00 0.00 178.15 178.23 1jwd h THR 75 N -0.27 0.81 -0.52 -0.27 2.02 -0.58 0.94 112.91 115.04 1jwd h THR 75 Ca 0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1jwd h THR 75 Cb 0.34 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1jwd h THR 75 CO -0.16 0.07 0.27 0.15 0.37 0.00 0.00 175.52 176.22 1jwd h PHE 76 N 0.40 0.72 -0.70 3.16 3.04 -0.25 0.84 116.94 124.15 1jwd h PHE 76 Ca 0.27 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.29 1jwd h PHE 76 Cb 0.30 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.54 1jwd h PHE 76 CO -0.16 0.55 0.47 -0.07 -2.02 0.00 0.00 178.31 177.07 1jwd h LEU 77 N 0.69 0.55 0.05 0.59 3.38 0.08 0.27 115.31 120.92 1jwd h LEU 77 Ca 0.18 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1jwd h LEU 77 Cb 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1jwd h LEU 77 CO -0.03 0.33 -0.16 1.23 0.09 0.00 0.00 178.44 179.91 1jwd h GLY 78 N 0.61 -0.25 0.48 0.83 0.00 0.78 0.16 103.07 105.68 1jwd h GLY 78 Ca 0.32 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.92 1jwd h GLY 78 CO -0.11 -0.15 0.32 0.00 0.00 0.00 0.00 176.54 176.59 1jwd h ALA 79 N 0.60 0.90 -0.39 3.60 0.00 0.10 0.79 119.26 124.86 1jwd h ALA 79 Ca 0.04 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jwd h ALA 79 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1jwd h ALA 79 CO -0.12 -0.08 0.22 1.25 0.00 0.00 0.00 179.25 180.52 1jwd h LEU 80 N 0.55 0.34 -0.46 0.00 5.85 -0.21 0.13 115.31 121.52 1jwd h LEU 80 Ca 0.33 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.09 1jwd h LEU 80 Cb 0.34 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1jwd h LEU 80 CO -0.27 0.24 0.23 0.00 -0.34 0.00 0.00 178.44 178.31 1jwd h ALA 81 N 1.19 0.57 -0.54 1.25 0.00 0.05 0.11 119.26 121.89 1jwd h ALA 81 Ca 0.16 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jwd h ALA 81 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jwd h ALA 81 CO -0.09 -0.11 0.36 1.98 0.00 0.00 0.00 179.25 181.38 1jwd h MET 82 N 0.46 0.72 -0.86 0.00 1.85 -0.24 -2.26 114.93 114.61 1jwd h MET 82 Ca 0.20 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.27 1jwd h MET 82 Cb 0.09 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 31.91 1jwd h MET 82 CO -0.13 0.48 0.56 0.82 -0.40 0.00 0.00 176.91 178.23 1jwd h ILE 83 N 0.74 1.16 0.00 1.77 2.04 -0.24 -2.40 117.51 120.57 1jwd h ILE 83 Ca 0.20 -0.38 -0.33 0.00 1.00 0.00 0.00 64.86 65.35 1jwd h ILE 83 Cb -0.08 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 35.96 1jwd h ILE 83 CO -0.04 0.20 1.94 -1.22 0.00 0.00 0.00 178.15 179.03 1jwd n TYR 84 N -4.53 1.06 0.27 1.37 4.01 0.35 -4.68 117.16 115.01 1jwd n TYR 84 Ca 0.10 -1.77 0.12 0.00 -0.16 0.00 0.00 57.90 56.19 1jwd n TYR 84 Cb 0.07 -1.60 0.75 0.00 -0.31 0.00 0.00 39.34 38.24 1jwd n TYR 84 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 1jwd h ASN 85 N 5.52 0.00 -0.25 7.72 -0.73 -1.52 0.28 115.58 126.59 1jwd h ASN 85 Ca 0.42 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.63 1jwd h ASN 85 Cb 0.41 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.96 1jwd h ASN 85 CO 1.14 0.08 -0.00 -0.08 -0.37 0.00 0.00 177.43 178.20 1jwd h GLU 86 N 0.00 0.07 -0.52 6.67 4.22 -1.88 0.17 114.58 123.32 1jwd h GLU 86 Ca -0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1jwd h GLU 86 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1jwd h GLU 86 CO 0.01 0.05 0.22 0.00 -2.18 0.00 0.00 179.01 177.11 1jwd h ALA 87 N 1.22 0.68 -0.21 2.92 0.00 -0.83 0.27 119.26 123.30 1jwd h ALA 87 Ca 0.12 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1jwd h ALA 87 Cb 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1jwd h ALA 87 CO -0.20 0.28 -0.19 1.25 0.00 0.00 0.00 179.25 180.39 1jwd h LEU 88 N 0.70 -0.60 0.45 0.00 7.12 -0.71 -2.41 115.31 119.86 1jwd h LEU 88 Ca 0.17 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.29 1jwd h LEU 88 Cb 0.18 0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1jwd h LEU 88 CO -0.02 -0.23 -0.43 0.11 -0.13 0.00 0.00 178.44 177.74 1jwd h LYS 89 N -0.20 -0.86 0.00 1.25 1.57 -0.47 -3.51 116.57 114.35 1jwd h LYS 89 Ca 0.13 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1jwd h LYS 89 Cb 0.39 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1jwd h LYS 89 CO -0.33 -0.57 0.00 0.41 -0.57 0.00 0.00 179.45 178.39