#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 3.37 -0.23 3.04 0.00 -1.26 -4.70 120.51 120.73 1jwd n ALA 2 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1jwd n ALA 2 Cb 0.00 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.47 1jwd n ALA 2 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jwd h SER 3 N 0.94 -0.58 -0.61 0.00 0.02 -2.05 0.83 113.55 112.10 1jwd h SER 3 Ca 0.00 0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 1jwd h SER 3 Cb 0.91 0.40 -0.06 0.00 0.14 0.00 0.00 62.40 63.80 1jwd h SER 3 CO 0.00 -0.21 0.31 -0.65 -1.14 0.00 0.00 176.83 175.13 1jwd h PRO 4 N 0.02 0.55 -0.03 3.45 0.11 -2.01 -0.12 132.00 133.97 1jwd h PRO 4 Ca 0.34 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1jwd h PRO 4 Cb 0.52 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.52 1jwd h PRO 4 CO -0.69 0.36 -0.37 1.25 -0.21 0.00 0.00 178.00 178.35 1jwd h LEU 5 N 0.57 0.38 -0.53 2.35 5.85 -1.67 -3.15 115.31 119.12 1jwd h LEU 5 Ca 0.29 -0.71 0.11 0.00 0.84 0.00 0.00 57.88 58.40 1jwd h LEU 5 Cb 0.23 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 1jwd h LEU 5 CO -0.21 1.04 -0.03 0.44 -0.34 0.00 0.00 178.44 179.34 1jwd h ASP 6 N -0.24 -0.29 -0.76 1.25 3.32 -0.45 0.11 116.42 119.36 1jwd h ASP 6 Ca -0.04 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1jwd h ASP 6 Cb 1.07 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 1jwd h ASP 6 CO 0.07 -0.11 0.36 0.06 -1.72 0.00 0.00 179.24 177.91 1jwd h GLN 7 N 0.09 1.11 0.24 3.56 3.07 -1.13 0.22 115.11 122.27 1jwd h GLN 7 Ca 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.84 1jwd h GLN 7 Cb 0.41 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1jwd h GLN 7 CO -0.47 0.86 -0.12 0.00 0.09 0.00 0.00 178.83 179.19 1jwd h ALA 8 N 1.30 -0.32 -0.81 0.06 0.00 -0.89 0.20 119.26 118.80 1jwd h ALA 8 Ca 0.27 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1jwd h ALA 8 Cb 0.12 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1jwd h ALA 8 CO -0.03 -0.52 0.51 -0.84 0.00 0.00 0.00 179.25 178.37 1jwd h ILE 9 N -0.64 1.09 -0.89 0.00 3.07 -0.87 -0.15 117.51 119.13 1jwd h ILE 9 Ca -0.03 -0.33 0.24 0.00 1.55 0.00 0.00 64.86 66.28 1jwd h ILE 9 Cb 0.46 0.03 -0.14 0.00 -0.27 0.00 0.00 36.82 36.90 1jwd h ILE 9 CO 0.05 0.18 0.24 1.23 -1.05 0.00 0.00 178.15 178.80 1jwd h GLY 10 N 0.98 1.39 0.73 0.16 0.00 -0.33 0.41 103.07 106.41 1jwd h GLY 10 Ca 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 1jwd h GLY 10 CO -0.13 -0.38 -0.43 -2.00 0.00 0.00 0.00 176.54 173.60 1jwd h LEU 11 N 0.20 -1.06 -0.60 3.11 7.12 0.13 0.24 115.31 124.45 1jwd h LEU 11 Ca 0.56 0.05 0.11 0.00 0.13 0.00 0.00 57.88 58.74 1jwd h LEU 11 Cb 1.15 0.30 -0.09 0.00 -0.53 0.00 0.00 40.66 41.49 1jwd h LEU 11 CO -0.67 -0.67 0.12 -0.07 -0.13 0.00 0.00 178.44 177.02 1jwd h LEU 12 N -1.08 -0.02 0.11 2.25 4.07 -1.11 0.11 115.31 119.64 1jwd h LEU 12 Ca -0.10 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1jwd h LEU 12 Cb 0.85 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1jwd h LEU 12 CO 0.12 -0.00 -0.05 0.40 -1.08 0.00 0.00 178.44 177.82 1jwd h ILE 13 N 0.24 0.92 0.29 1.22 2.04 -0.83 -0.48 117.51 120.92 1jwd h ILE 13 Ca 0.32 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1jwd h ILE 13 Cb 0.48 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1jwd h ILE 13 CO -0.41 0.03 -0.30 1.23 0.00 0.00 0.00 178.15 178.70 1jwd h GLY 14 N -0.21 -0.67 -0.09 5.37 0.00 0.11 0.13 103.07 107.72 1jwd h GLY 14 Ca -0.02 0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.75 1jwd h GLY 14 CO 0.03 -0.26 -0.22 -2.22 0.00 0.00 0.00 176.54 173.87 1jwd h ILE 15 N -0.62 0.37 0.28 2.60 2.04 -0.74 0.46 117.51 121.90 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 0.57 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1jwd h ILE 15 CO -0.06 0.00 -0.14 0.15 0.00 0.00 0.00 178.15 178.09 1jwd h PHE 16 N -0.12 -0.38 0.00 1.37 3.04 -0.64 -2.78 116.94 117.43 1jwd h PHE 16 Ca 0.21 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 1jwd h PHE 16 Cb 0.46 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 1jwd h PHE 16 CO -0.48 -0.23 -0.23 1.25 -2.02 0.00 0.00 178.31 176.61 1jwd h HIS 17 N -0.39 0.00 -0.10 0.41 2.76 -0.62 0.11 115.15 117.31 1jwd h HIS 17 Ca -0.04 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1jwd h HIS 17 Cb 0.30 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1jwd h HIS 17 CO 0.14 0.23 -0.07 -0.22 -1.30 0.00 0.00 177.93 176.71 1jwd h LYS 18 N 0.00 -0.07 -0.38 5.26 3.64 -0.95 0.12 116.57 124.19 1jwd h LYS 18 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1jwd h LYS 18 Cb 0.48 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1jwd h LYS 18 CO 0.03 -0.05 0.11 1.88 -2.27 0.00 0.00 179.45 179.15 1jwd h TYR 19 N -0.08 0.62 -0.82 1.91 -1.99 -0.75 -2.78 116.97 113.09 1jwd h TYR 19 Ca 0.06 -0.07 0.19 0.00 2.00 0.00 0.00 58.73 60.91 1jwd h TYR 19 Cb 0.17 -0.18 -0.12 0.00 2.00 0.00 0.00 36.73 38.60 1jwd h TYR 19 CO -0.19 0.59 0.29 0.77 -0.00 0.00 0.00 178.16 179.63 1jwd h SER 20 N 0.47 0.19 -1.52 3.88 0.02 -0.53 -0.67 113.55 115.39 1jwd h SER 20 Ca 0.12 0.15 0.50 0.00 -0.84 0.00 0.00 61.79 61.72 1jwd h SER 20 Cb 0.27 0.16 -0.13 0.00 0.14 0.00 0.00 62.40 62.84 1jwd h SER 20 CO -0.00 -0.00 1.00 1.23 -1.14 0.00 0.00 176.83 177.92 1jwd h GLY 21 N 0.35 1.10 0.68 -3.77 0.00 -0.46 0.38 103.07 101.34 1jwd h GLY 21 Ca 0.48 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.80 1jwd h GLY 21 CO -0.51 -0.39 0.39 1.70 0.00 0.00 0.00 176.54 177.72 1jwd h LYS 22 N 0.00 0.69 0.13 4.80 3.64 -1.23 -3.13 116.57 121.46 1jwd h LYS 22 Ca 0.90 -0.04 -0.36 0.00 -1.27 0.00 0.00 60.65 59.88 1jwd h LYS 22 Cb 3.06 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 34.71 1jwd h LYS 22 CO -0.38 0.45 -1.95 1.05 -2.27 0.00 0.00 179.45 176.36 1jwd h GLU 23 N 0.71 0.27 0.00 1.90 4.11 -0.57 -3.51 114.58 117.49 1jwd h GLU 23 Ca 0.31 -0.46 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1jwd h GLU 23 Cb 0.19 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jwd h GLU 23 CO -0.18 1.20 0.00 0.41 0.07 0.00 0.00 179.01 180.50 1jwd n GLY 24 N 1.95 1.97 2.61 1.06 0.00 0.44 -5.00 105.19 108.23 1jwd n GLY 24 Ca -0.30 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 5.64 -4.36 1.61 2.03 -1.26 -3.15 116.55 117.07 1jwd n ASP 25 Ca 0.00 -2.55 -0.29 0.00 0.52 0.00 0.00 54.79 52.47 1jwd n ASP 25 Cb 0.00 -1.35 -0.14 0.00 -0.72 0.00 0.00 41.12 38.92 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 3.21 1.57 0.00 -0.67 1.02 -1.26 -5.03 119.74 118.58 1jwd s LYS 26 Ca 0.53 -1.22 -0.05 0.00 0.02 0.00 0.00 55.97 55.26 1jwd s LYS 26 Cb 0.14 -1.90 -0.22 0.00 -0.52 0.00 0.00 37.83 35.34 1jwd s LYS 26 CO -0.03 0.47 3.16 0.72 -0.92 0.00 0.00 175.35 178.75 1jwd n HIS 27 N 1.35 0.00 -3.92 3.18 8.25 -1.26 -4.78 115.22 118.03 1jwd n HIS 27 Ca -0.18 -1.31 -0.09 0.00 -0.26 0.00 0.00 57.72 55.89 1jwd n HIS 27 Cb 0.53 -1.37 -0.09 0.00 1.12 0.00 0.00 29.99 30.18 1jwd n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1jwd s THR 28 N 1.06 0.14 -0.03 1.59 -4.23 -1.26 -1.06 115.64 111.85 1jwd s THR 28 Ca 0.53 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1jwd s THR 28 Cb 0.26 -1.07 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1jwd s THR 28 CO 0.00 -0.65 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.59 1jwd s LEU 29 N -2.37 1.78 0.47 4.79 1.43 -0.10 -4.41 118.68 120.27 1jwd s LEU 29 Ca -0.01 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1jwd s LEU 29 Cb 0.01 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.60 1jwd s LEU 29 CO -0.06 0.06 1.02 -0.44 0.23 0.00 0.00 176.35 177.16 1jwd s SER 30 N 0.21 6.49 0.21 2.29 0.01 -1.26 -0.13 113.70 121.52 1jwd s SER 30 Ca -0.03 1.90 -0.11 0.00 1.31 0.00 0.00 55.95 59.02 1jwd s SER 30 Cb -0.09 -2.56 0.28 0.00 0.21 0.00 0.00 66.02 63.86 1jwd s SER 30 CO 0.00 -0.68 1.68 0.07 0.41 0.00 0.00 173.24 174.73 1jwd h LYS 31 N 1.74 0.16 0.00 12.44 2.10 -1.30 0.29 116.57 132.00 1jwd h LYS 31 Ca -0.49 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 58.04 1jwd h LYS 31 Cb 1.21 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 1jwd h LYS 31 CO 0.60 0.10 -0.52 -0.22 -2.00 0.00 0.00 179.45 177.41 1jwd h LYS 32 N 0.16 0.00 -0.48 0.07 3.11 -1.92 -0.54 116.57 116.97 1jwd h LYS 32 Ca 0.31 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 58.06 1jwd h LYS 32 Cb 0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1jwd h LYS 32 CO -0.46 0.52 -0.02 1.49 -2.81 0.00 0.00 179.45 178.16 1jwd h GLU 33 N 0.00 0.87 -0.20 1.90 4.81 -0.94 0.14 114.58 121.15 1jwd h GLU 33 Ca -0.01 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1jwd h GLU 33 Cb 0.95 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1jwd h GLU 33 CO 0.07 0.92 0.01 1.25 -0.73 0.00 0.00 179.01 180.53 1jwd h LEU 34 N 0.72 -0.06 -0.72 1.64 7.12 -0.41 0.69 115.31 124.29 1jwd h LEU 34 Ca 0.13 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.30 1jwd h LEU 34 Cb 0.54 0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 40.66 1jwd h LEU 34 CO 0.03 -0.00 0.32 0.50 -0.13 0.00 0.00 178.44 179.15 1jwd h LYS 35 N 0.08 0.49 -0.23 1.25 3.64 -0.52 0.37 116.57 121.64 1jwd h LYS 35 Ca 0.10 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1jwd h LYS 35 Cb 0.11 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1jwd h LYS 35 CO -0.15 0.32 -0.00 1.49 -2.27 0.00 0.00 179.45 178.84 1jwd h GLU 36 N 0.50 0.07 -0.38 1.90 4.57 0.09 0.20 114.58 121.53 1jwd h GLU 36 Ca 0.38 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.64 1jwd h GLU 36 Cb 0.50 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.99 1jwd h GLU 36 CO -0.34 0.04 -0.21 1.25 -1.18 0.00 0.00 179.01 178.58 1jwd h LEU 37 N 0.07 -0.70 -0.20 1.64 6.46 0.19 -0.59 115.31 122.17 1jwd h LEU 37 Ca 0.11 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1jwd h LEU 37 Cb 0.14 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1jwd h LEU 37 CO -0.19 -0.24 0.07 0.40 -0.62 0.00 0.00 178.44 177.86 1jwd h ILE 38 N -0.15 1.18 -0.75 4.05 2.04 -0.36 0.23 117.51 123.76 1jwd h ILE 38 Ca 0.19 -0.55 0.11 0.00 1.00 0.00 0.00 64.86 65.61 1jwd h ILE 38 Cb 0.43 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 1jwd h ILE 38 CO -0.47 0.18 0.36 1.56 0.00 0.00 0.00 178.15 179.78 1jwd h GLN 39 N 0.15 0.57 0.06 2.37 1.08 -0.25 0.45 115.11 119.54 1jwd h GLN 39 Ca 0.06 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1jwd h GLN 39 Cb 0.21 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1jwd h GLN 39 CO -0.00 0.37 -0.03 -0.22 -0.95 0.00 0.00 178.83 178.00 1jwd h LYS 40 N 0.58 -0.08 0.19 1.46 3.64 -0.75 -3.31 116.57 118.30 1jwd h LYS 40 Ca 0.38 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 1jwd h LYS 40 Cb 0.47 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1jwd h LYS 40 CO -0.31 0.33 -0.09 1.49 -2.27 0.00 0.00 179.45 178.60 1jwd h GLU 41 N -0.51 -0.25 -4.08 1.90 4.57 -0.67 -3.39 114.58 112.15 1jwd h GLU 41 Ca -0.01 0.02 -0.77 0.00 -1.18 0.00 0.00 59.36 57.42 1jwd h GLU 41 Cb 0.45 0.06 -0.22 0.00 -0.16 0.00 0.00 28.75 28.87 1jwd h GLU 41 CO 0.01 -0.17 0.99 1.28 -1.18 0.00 0.00 179.01 179.94 1jwd n LEU 42 N -4.06 5.50 -3.46 1.64 4.77 0.16 -4.93 117.00 116.62 1jwd n LEU 42 Ca -0.03 -4.76 -0.35 0.00 -0.03 0.00 0.00 56.01 50.84 1jwd n LEU 42 Cb 0.10 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 39.62 1jwd n LEU 42 CO 0.08 1.08 2.28 0.35 -1.33 0.00 0.00 177.39 179.85 1jwd n THR 43 N 3.53 2.22 -2.11 -5.08 -2.24 -1.25 -4.41 114.28 104.94 1jwd n THR 43 Ca 0.31 -1.66 -0.29 0.00 -2.27 0.00 0.00 64.05 60.14 1jwd n THR 43 Cb 0.40 -2.28 -0.06 0.00 -2.10 0.00 0.00 70.33 66.30 1jwd n THR 43 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1jwd s ILE 44 N 4.22 3.59 0.53 2.28 -5.25 -1.26 -4.76 121.20 120.54 1jwd s ILE 44 Ca 0.50 -1.01 0.37 0.00 -0.99 0.00 0.00 60.65 59.52 1jwd s ILE 44 Cb 0.13 -4.63 0.57 0.00 2.95 0.00 0.00 42.46 41.48 1jwd s ILE 44 CO 0.04 -1.08 1.75 1.23 -1.79 0.00 0.00 174.94 175.10 1jwd h GLY 45 N 17.33 0.20 -5.88 6.27 0.00 -1.97 -2.92 103.07 116.10 1jwd h GLY 45 Ca 0.24 -0.03 -0.36 0.00 0.00 0.00 0.00 47.33 47.18 1jwd h GLY 45 CO 1.24 -0.04 2.10 -1.14 0.00 0.00 0.00 176.54 178.71 1jwd n SER 46 N -4.21 3.06 0.00 0.19 3.41 -1.26 -4.73 113.62 110.08 1jwd n SER 46 Ca 0.29 -2.33 0.03 0.00 -0.26 0.00 0.00 58.87 56.60 1jwd n SER 46 Cb 1.36 -0.92 0.17 0.00 -0.26 0.00 0.00 64.21 64.55 1jwd n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jwd n LYS 47 N 5.21 0.11 -0.05 4.33 5.02 -1.11 -1.02 118.16 130.66 1jwd n LYS 47 Ca 0.36 0.20 0.18 0.00 -2.02 0.00 0.00 58.31 57.03 1jwd n LYS 47 Cb 0.18 -1.50 0.63 0.00 -0.02 0.00 0.00 35.03 34.32 1jwd n LYS 47 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1jwd h LEU 48 N 0.00 0.12 0.00 -0.35 -0.00 -1.89 0.11 115.31 113.31 1jwd h LEU 48 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1jwd h LEU 48 Cb 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1jwd h LEU 48 CO 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 178.44 178.51 1jwd n GLN 49 N -4.41 0.06 -0.34 1.13 6.02 -0.19 -3.60 117.38 116.05 1jwd n GLN 49 Ca 0.11 0.25 0.23 0.00 -0.01 0.00 0.00 57.00 57.57 1jwd n GLN 49 Cb 0.57 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 30.82 1jwd n GLN 49 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1jwd h ASP 50 N 0.00 0.50 -0.45 1.08 3.58 -1.01 0.38 116.42 120.50 1jwd h ASP 50 Ca 0.00 0.12 0.09 0.00 0.42 0.00 0.00 57.03 57.66 1jwd h ASP 50 Cb 0.04 0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.05 1jwd h ASP 50 CO 0.00 0.03 -0.13 0.00 -2.88 0.00 0.00 179.24 176.26 1jwd h ALA 51 N 1.68 0.26 -0.30 -0.78 0.00 -1.82 0.31 119.26 118.61 1jwd h ALA 51 Ca 0.65 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.73 1jwd h ALA 51 Cb 1.57 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1jwd h ALA 51 CO -0.40 -0.47 0.18 0.93 0.00 0.00 0.00 179.25 179.48 1jwd h GLU 52 N -0.03 0.41 -0.86 0.00 5.08 -0.60 -1.07 114.58 117.51 1jwd h GLU 52 Ca 0.22 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 1jwd h GLU 52 Cb 0.35 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1jwd h GLU 52 CO -0.47 0.32 0.53 0.82 -1.00 0.00 0.00 179.01 179.20 1jwd h ILE 53 N 0.38 1.01 -0.01 3.13 1.08 -0.07 0.35 117.51 123.38 1jwd h ILE 53 Ca 0.11 -0.32 -0.18 0.00 -0.39 0.00 0.00 64.86 64.08 1jwd h ILE 53 Cb 0.02 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 1jwd h ILE 53 CO -0.02 0.17 -0.79 -0.37 -0.69 0.00 0.00 178.15 176.45 1jwd h VAL 54 N 0.94 1.49 0.15 1.67 -1.51 -0.09 0.35 116.25 119.25 1jwd h VAL 54 Ca 0.39 -2.50 -0.00 0.00 -1.23 0.00 0.00 66.70 63.36 1jwd h VAL 54 Cb 0.23 2.36 -0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1jwd h VAL 54 CO -0.19 0.72 -0.10 0.50 -1.23 0.00 0.00 177.57 177.27 1jwd h LYS 55 N 0.09 -0.23 -0.61 5.19 1.63 -0.65 0.14 116.57 122.12 1jwd h LYS 55 Ca -0.03 0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.87 1jwd h LYS 55 Cb 1.38 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 33.00 1jwd h LYS 55 CO 0.12 -0.16 0.26 1.25 -3.45 0.00 0.00 179.45 177.47 1jwd h LEU 56 N -0.24 0.30 -0.36 5.20 6.46 -0.81 0.19 115.31 126.05 1jwd h LEU 56 Ca -0.01 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1jwd h LEU 56 Cb 0.21 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 1jwd h LEU 56 CO 0.00 0.19 0.14 -0.03 -0.62 0.00 0.00 178.44 178.12 1jwd h MET 57 N 0.47 0.30 -0.24 1.25 4.05 -0.01 0.56 114.93 121.30 1jwd h MET 57 Ca 0.30 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 1jwd h MET 57 Cb 0.32 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 1jwd h MET 57 CO -0.27 0.20 0.02 0.22 0.23 0.00 0.00 176.91 177.32 1jwd h ASP 58 N 0.31 -0.04 -0.42 1.39 3.58 0.05 0.28 116.42 121.56 1jwd h ASP 58 Ca 0.16 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1jwd h ASP 58 Cb 0.12 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1jwd h ASP 58 CO -0.15 0.01 0.27 0.44 -2.88 0.00 0.00 179.24 176.94 1jwd h ASP 59 N 0.11 0.48 0.38 2.28 3.32 -0.04 0.30 116.42 123.26 1jwd h ASP 59 Ca 0.11 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1jwd h ASP 59 Cb 0.13 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1jwd h ASP 59 CO -0.17 0.35 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.45 1jwd h LEU 60 N 0.57 -0.44 -1.07 1.55 3.38 -0.51 -3.36 115.31 115.44 1jwd h LEU 60 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jwd h LEU 60 Cb -0.06 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jwd h LEU 60 CO -0.03 0.01 0.00 -2.24 0.09 0.00 0.00 178.44 176.26 1jwd h ASP 61 N -1.11 0.00 -0.75 -0.43 3.04 -0.11 -2.96 116.42 114.10 1jwd h ASP 61 Ca -0.05 0.00 0.30 0.00 -3.24 0.00 0.00 57.03 54.04 1jwd h ASP 61 Cb 0.44 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.61 1jwd h ASP 61 CO 0.09 0.00 0.42 -1.14 -2.04 0.00 0.00 179.24 176.56 1jwd n ARG 62 N -2.38 -0.04 -0.21 4.15 0.63 0.10 0.50 116.66 119.41 1jwd n ARG 62 Ca 0.01 0.97 -0.04 0.00 -0.92 0.00 0.00 57.85 57.87 1jwd n ARG 62 Cb 0.19 -1.76 -0.02 0.00 0.45 0.00 0.00 32.46 31.32 1jwd n ARG 62 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1jwd n ASN 63 N -4.54 -0.46 -1.64 6.15 4.05 -1.12 -3.81 115.26 113.89 1jwd n ASN 63 Ca 0.27 0.92 -0.02 0.00 0.45 0.00 0.00 54.58 56.20 1jwd n ASN 63 Cb 0.94 -0.16 0.00 0.00 1.23 0.00 0.00 39.78 41.80 1jwd n ASN 63 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1jwd n LYS 64 N -4.70 0.45 0.00 1.20 2.85 0.35 -5.00 118.16 113.30 1jwd n LYS 64 Ca 0.03 -1.57 0.00 0.00 -1.05 0.00 0.00 58.31 55.72 1jwd n LYS 64 Cb 0.17 0.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.68 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1jwd n ASP 65 N -0.23 0.00 -0.09 -5.58 5.68 0.18 -3.97 116.55 112.54 1jwd n ASP 65 Ca -0.14 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.02 1jwd n ASP 65 Cb 0.86 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.80 1jwd n ASP 65 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1jwd h GLN 66 N 0.00 0.74 -5.61 0.11 -0.00 -1.96 -3.44 115.11 104.95 1jwd h GLN 66 Ca 0.00 -0.41 -0.45 0.00 -0.00 0.00 0.00 58.65 57.79 1jwd h GLN 66 Cb 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 27.48 27.32 1jwd h GLN 66 CO 0.00 1.03 -0.76 -1.21 0.00 0.00 0.00 178.83 177.89 1jwd s GLU 67 N -4.31 1.13 0.23 1.69 2.02 -1.25 -0.86 118.70 117.35 1jwd s GLU 67 Ca -0.12 -1.33 -0.06 0.00 0.02 0.00 0.00 54.97 53.48 1jwd s GLU 67 Cb 0.09 -1.06 -0.06 0.00 0.10 0.00 0.00 34.13 33.20 1jwd s GLU 67 CO 0.84 0.21 0.50 0.08 0.02 0.00 0.00 175.26 176.91 1jwd s VAL 68 N -2.20 5.03 0.09 2.63 1.01 0.82 -2.14 120.40 125.64 1jwd s VAL 68 Ca 0.12 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.35 1jwd s VAL 68 Cb -0.05 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1jwd s VAL 68 CO 0.04 -0.14 -0.09 0.21 0.00 0.00 0.00 175.10 175.12 1jwd s ASN 69 N -2.71 4.43 0.16 3.32 3.84 -1.26 -0.92 114.94 121.80 1jwd s ASN 69 Ca 0.44 -0.34 -0.28 0.00 0.21 0.00 0.00 52.86 52.88 1jwd s ASN 69 Cb -0.11 -0.88 -0.02 0.00 -0.55 0.00 0.00 41.25 39.69 1jwd s ASN 69 CO 0.26 0.20 1.55 0.15 -2.79 0.00 0.00 177.10 176.46 1jwd h PHE 70 N 3.77 -1.59 -0.74 0.43 3.57 -1.45 0.22 116.94 121.15 1jwd h PHE 70 Ca -0.49 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.12 1jwd h PHE 70 Cb 1.17 0.79 -0.04 0.00 2.79 0.00 0.00 35.95 40.66 1jwd h PHE 70 CO 0.60 -0.42 0.49 0.37 -2.23 0.00 0.00 178.31 177.11 1jwd h GLN 71 N -0.17 0.96 -0.23 1.11 -0.00 -1.97 -0.16 115.11 114.65 1jwd h GLN 71 Ca 0.16 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 58.64 1jwd h GLN 71 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 1jwd h GLN 71 CO -0.79 0.64 -0.36 0.93 0.00 0.00 0.00 178.83 179.25 1jwd h GLU 72 N 0.99 0.49 -0.04 1.69 5.08 -1.74 0.21 114.58 121.27 1jwd h GLU 72 Ca 0.27 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1jwd h GLU 72 Cb -0.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1jwd h GLU 72 CO -0.06 0.79 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.70 1jwd h TYR 73 N 0.42 -0.28 -0.00 4.33 5.03 0.25 0.20 116.97 126.91 1jwd h TYR 73 Ca 0.04 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.38 1jwd h TYR 73 Cb 0.83 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 1jwd h TYR 73 CO 0.03 -0.17 -0.08 0.82 -1.32 0.00 0.00 178.16 177.44 1jwd h ILE 74 N -0.17 0.79 -0.49 1.81 1.08 -0.61 0.13 117.51 120.05 1jwd h ILE 74 Ca 0.05 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.62 1jwd h ILE 74 Cb 0.25 0.79 -0.09 0.00 -3.07 0.00 0.00 36.82 34.69 1jwd h ILE 74 CO -0.14 0.00 -0.13 0.74 -0.69 0.00 0.00 178.15 177.93 1jwd h THR 75 N -0.14 0.50 -0.50 -0.27 2.02 -0.76 0.11 112.91 113.87 1jwd h THR 75 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1jwd h THR 75 Cb 0.18 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1jwd h THR 75 CO -0.09 0.00 0.21 0.15 0.37 0.00 0.00 175.52 176.17 1jwd h PHE 76 N -0.01 0.74 -0.75 3.16 3.04 -0.19 0.43 116.94 123.35 1jwd h PHE 76 Ca 0.23 -0.05 0.08 0.00 3.98 0.00 0.00 57.97 62.22 1jwd h PHE 76 Cb 0.36 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.60 1jwd h PHE 76 CO -0.42 0.61 0.49 -0.07 -2.02 0.00 0.00 178.31 176.90 1jwd h LEU 77 N 0.66 0.64 -0.02 0.59 3.38 0.14 0.27 115.31 120.97 1jwd h LEU 77 Ca 0.17 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1jwd h LEU 77 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jwd h LEU 77 CO -0.02 0.39 -0.08 1.23 0.09 0.00 0.00 178.44 180.05 1jwd h GLY 78 N 0.72 -0.07 0.56 0.83 0.00 0.63 0.16 103.07 105.89 1jwd h GLY 78 Ca 0.34 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.84 1jwd h GLY 78 CO -0.12 -0.09 0.29 0.00 0.00 0.00 0.00 176.54 176.61 1jwd h ALA 79 N 0.87 0.80 -0.28 3.60 0.00 0.60 0.62 119.26 125.47 1jwd h ALA 79 Ca 0.04 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1jwd h ALA 79 Cb 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1jwd h ALA 79 CO -0.10 -0.09 0.04 1.25 0.00 0.00 0.00 179.25 180.35 1jwd h LEU 80 N 0.52 -0.02 -0.58 0.00 5.85 -0.17 0.20 115.31 121.11 1jwd h LEU 80 Ca 0.29 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1jwd h LEU 80 Cb 0.27 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1jwd h LEU 80 CO -0.23 0.02 0.32 0.00 -0.34 0.00 0.00 178.44 178.22 1jwd h ALA 81 N 1.21 0.76 -0.70 1.25 0.00 -0.14 0.11 119.26 121.75 1jwd h ALA 81 Ca 0.13 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jwd h ALA 81 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1jwd h ALA 81 CO -0.18 0.01 0.18 1.98 0.00 0.00 0.00 179.25 181.23 1jwd h MET 82 N 0.62 1.12 -0.78 0.00 1.85 -0.10 -2.35 114.93 115.29 1jwd h MET 82 Ca 0.25 -0.27 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1jwd h MET 82 Cb 0.11 -0.15 -0.04 0.00 0.43 0.00 0.00 31.60 31.96 1jwd h MET 82 CO -0.15 0.99 0.48 0.82 -0.40 0.00 0.00 176.91 178.65 1jwd h ILE 83 N 1.06 1.22 0.00 1.77 2.04 -0.12 -2.60 117.51 120.87 1jwd h ILE 83 Ca 0.22 -0.47 -0.29 0.00 1.00 0.00 0.00 64.86 65.32 1jwd h ILE 83 Cb 0.37 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1jwd h ILE 83 CO 0.00 0.23 1.56 -1.22 0.00 0.00 0.00 178.15 178.72 1jwd n TYR 84 N -4.49 0.85 -0.14 1.37 4.01 0.34 -4.69 117.16 114.41 1jwd n TYR 84 Ca 0.08 -1.60 0.11 0.00 -0.16 0.00 0.00 57.90 56.33 1jwd n TYR 84 Cb 0.05 -1.50 0.45 0.00 -0.31 0.00 0.00 39.34 38.04 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 5.29 0.47 -0.80 7.72 -0.73 -1.55 0.23 115.58 126.21 1jwd h ASN 85 Ca 0.36 0.01 0.19 0.00 1.87 0.00 0.00 56.30 58.74 1jwd h ASN 85 Cb 0.50 -0.08 -0.13 0.00 0.27 0.00 0.00 38.32 38.88 1jwd h ASN 85 CO 0.99 0.28 0.19 -0.33 -0.37 0.00 0.00 177.43 178.19 1jwd h GLU 86 N 0.52 0.23 -0.76 6.67 5.08 -1.88 0.10 114.58 124.54 1jwd h GLU 86 Ca 0.32 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1jwd h GLU 86 Cb 0.56 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1jwd h GLU 86 CO -0.10 0.15 0.46 0.00 -1.00 0.00 0.00 179.01 178.52 1jwd h ALA 87 N 1.69 0.97 0.21 3.43 0.00 -0.84 0.15 119.26 124.89 1jwd h ALA 87 Ca 0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1jwd h ALA 87 Cb 0.88 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jwd h ALA 87 CO -0.59 0.44 -0.10 -0.07 0.00 0.00 0.00 179.25 178.94 1jwd h LEU 88 N 1.05 -0.24 -1.10 0.00 3.38 -1.08 -3.13 115.31 114.18 1jwd h LEU 88 Ca 0.27 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1jwd h LEU 88 Cb -0.03 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1jwd h LEU 88 CO -0.05 -0.09 0.61 0.50 0.09 0.00 0.00 178.44 179.50 1jwd h LYS 89 N -0.38 1.10 0.00 1.13 3.64 -0.44 -3.52 116.57 118.10 1jwd h LYS 89 Ca -0.03 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1jwd h LYS 89 Cb 0.29 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1jwd h LYS 89 CO 0.05 0.73 0.00 0.41 -2.27 0.00 0.00 179.45 178.37