#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwd h ALA 2 N 0.00 -0.27 -0.67 3.04 0.00 -2.05 -3.29 119.26 116.02 1jwd h ALA 2 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jwd h ALA 2 Cb 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.78 1jwd h ALA 2 CO 0.00 -0.47 -0.47 0.66 0.00 0.00 0.00 179.25 178.97 1jwd h SER 3 N -0.63 -1.64 -0.97 0.00 4.64 -2.05 0.38 113.55 113.28 1jwd h SER 3 Ca -0.03 0.27 0.18 0.00 -0.47 0.00 0.00 61.79 61.73 1jwd h SER 3 Cb 0.46 0.74 -0.17 0.00 -0.31 0.00 0.00 62.40 63.12 1jwd h SER 3 CO 0.04 -0.32 -0.30 -2.65 -0.87 0.00 0.00 176.83 172.73 1jwd n PRO 4 N -5.39 -0.15 -0.03 4.77 -0.02 -1.24 -0.37 135.00 132.58 1jwd n PRO 4 Ca 0.02 1.51 -0.14 0.00 -2.02 0.00 0.00 63.50 62.87 1jwd n PRO 4 Cb 0.34 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 1jwd n PRO 4 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jwd h LEU 5 N 0.00 0.14 -0.63 2.45 5.85 -1.17 -2.93 115.31 119.02 1jwd h LEU 5 Ca 0.41 -0.60 0.11 0.00 0.84 0.00 0.00 57.88 58.65 1jwd h LEU 5 Cb 0.65 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 1jwd h LEU 5 CO -0.99 0.72 0.19 0.44 -0.34 0.00 0.00 178.44 178.46 1jwd h ASP 6 N -0.42 0.12 -0.48 1.25 3.32 -0.07 0.61 116.42 120.76 1jwd h ASP 6 Ca -0.00 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1jwd h ASP 6 Cb 0.70 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1jwd h ASP 6 CO 0.02 0.06 0.05 0.06 -1.72 0.00 0.00 179.24 177.72 1jwd h GLN 7 N 0.34 0.88 0.34 3.56 3.07 -0.79 0.17 115.11 122.67 1jwd h GLN 7 Ca 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 58.65 58.83 1jwd h GLN 7 Cb 0.47 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1jwd h GLN 7 CO -0.37 0.84 -0.16 0.00 0.09 0.00 0.00 178.83 179.22 1jwd h ALA 8 N 1.23 -0.46 -0.75 0.06 0.00 -0.78 0.27 119.26 118.84 1jwd h ALA 8 Ca 0.17 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jwd h ALA 8 Cb 0.42 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1jwd h ALA 8 CO 0.01 -0.63 0.44 -0.84 0.00 0.00 0.00 179.25 178.23 1jwd h ILE 9 N -0.72 1.00 -0.82 0.00 3.07 -1.00 -0.70 117.51 118.34 1jwd h ILE 9 Ca -0.05 -0.28 0.20 0.00 1.55 0.00 0.00 64.86 66.28 1jwd h ILE 9 Cb 0.49 0.12 -0.14 0.00 -0.27 0.00 0.00 36.82 37.03 1jwd h ILE 9 CO 0.08 0.15 0.04 1.23 -1.05 0.00 0.00 178.15 178.60 1jwd h GLY 10 N 0.81 0.99 0.68 0.16 0.00 -0.43 -0.69 103.07 104.59 1jwd h GLY 10 Ca 0.33 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 1jwd h GLY 10 CO -0.17 -0.34 -0.50 -2.00 0.00 0.00 0.00 176.54 173.53 1jwd h LEU 11 N 0.11 -1.31 -0.56 3.11 7.12 0.11 0.21 115.31 124.09 1jwd h LEU 11 Ca 0.47 0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.67 1jwd h LEU 11 Cb 0.86 0.41 -0.08 0.00 -0.53 0.00 0.00 40.66 41.32 1jwd h LEU 11 CO -0.71 -0.72 0.11 -0.07 -0.13 0.00 0.00 178.44 176.92 1jwd h LEU 12 N -1.13 -0.02 0.10 2.25 4.07 -1.20 0.40 115.31 119.79 1jwd h LEU 12 Ca -0.09 0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1jwd h LEU 12 Cb 0.93 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1jwd h LEU 12 CO 0.03 0.01 -0.05 0.40 -1.08 0.00 0.00 178.44 177.75 1jwd h ILE 13 N 0.24 0.98 -0.01 1.22 2.04 -0.90 -0.26 117.51 120.82 1jwd h ILE 13 Ca 0.29 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1jwd h ILE 13 Cb 0.42 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1jwd h ILE 13 CO -0.39 0.07 -0.16 1.23 0.00 0.00 0.00 178.15 178.91 1jwd h GLY 14 N -0.27 -0.19 0.30 5.37 0.00 -0.13 0.87 103.07 109.01 1jwd h GLY 14 Ca -0.01 0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1jwd h GLY 14 CO 0.02 -0.15 -0.27 -2.22 0.00 0.00 0.00 176.54 173.92 1jwd h ILE 15 N -0.25 0.38 0.20 2.60 2.04 -0.88 -0.29 117.51 121.31 1jwd h ILE 15 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1jwd h ILE 15 Cb 0.32 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1jwd h ILE 15 CO -0.16 0.00 -0.32 0.15 0.00 0.00 0.00 178.15 177.82 1jwd h PHE 16 N -0.37 -0.91 0.00 1.37 3.04 -0.44 -2.33 116.94 117.29 1jwd h PHE 16 Ca 0.08 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1jwd h PHE 16 Cb 0.49 0.37 -0.00 0.00 2.56 0.00 0.00 35.95 39.37 1jwd h PHE 16 CO -0.34 -0.40 -0.13 1.25 -2.02 0.00 0.00 178.31 176.67 1jwd h HIS 17 N -0.55 0.00 0.57 0.41 2.76 -0.75 0.90 115.15 118.47 1jwd h HIS 17 Ca -0.02 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 1jwd h HIS 17 Cb 0.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1jwd h HIS 17 CO -0.28 0.13 -0.28 -0.22 -1.30 0.00 0.00 177.93 175.97 1jwd h LYS 18 N 0.00 -0.75 -0.51 5.26 3.64 -0.92 0.17 116.57 123.46 1jwd h LYS 18 Ca -0.00 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1jwd h LYS 18 Cb 0.69 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1jwd h LYS 18 CO 0.02 -0.50 0.16 1.88 -2.27 0.00 0.00 179.45 178.74 1jwd h TYR 19 N -0.78 0.78 0.73 1.91 0.05 -0.77 -1.22 116.97 117.67 1jwd h TYR 19 Ca -0.08 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 1jwd h TYR 19 Cb 0.60 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 1jwd h TYR 19 CO -0.04 0.64 -0.46 0.77 -1.05 0.00 0.00 178.16 178.01 1jwd h SER 20 N 0.75 -1.16 -0.94 3.88 0.02 -0.77 -3.13 113.55 112.19 1jwd h SER 20 Ca 0.17 0.07 0.27 0.00 -0.84 0.00 0.00 61.79 61.46 1jwd h SER 20 Cb 0.23 0.34 -0.14 0.00 0.14 0.00 0.00 62.40 62.96 1jwd h SER 20 CO -0.01 -0.70 0.39 1.23 -1.14 0.00 0.00 176.83 176.60 1jwd h GLY 21 N -1.12 1.68 -0.29 -3.77 0.00 -0.10 0.27 103.07 99.74 1jwd h GLY 21 Ca -0.10 -0.13 0.26 0.00 0.00 0.00 0.00 47.33 47.36 1jwd h GLY 21 CO 0.09 -0.41 0.50 1.70 0.00 0.00 0.00 176.54 178.42 1jwd h LYS 22 N 0.28 0.42 0.01 4.80 3.64 -1.18 -2.75 116.57 121.78 1jwd h LYS 22 Ca 0.63 -0.03 -0.37 0.00 -1.27 0.00 0.00 60.65 59.61 1jwd h LYS 22 Cb 1.34 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 1jwd h LYS 22 CO -0.63 0.28 -2.34 -0.85 -2.27 0.00 0.00 179.45 173.64 1jwd n GLU 23 N -5.00 0.67 -3.62 1.90 0.28 0.65 -5.07 120.64 110.46 1jwd n GLU 23 Ca 0.27 0.12 -0.04 0.00 -0.16 0.00 0.00 57.16 57.35 1jwd n GLU 23 Cb 0.78 -1.56 -0.04 0.00 1.43 0.00 0.00 31.44 32.06 1jwd n GLU 23 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1jwd s GLY 24 N -5.96 -0.08 -1.15 -1.84 0.00 0.54 -5.06 107.32 93.77 1jwd s GLY 24 Ca -0.23 2.33 -0.19 0.00 0.00 0.00 0.00 44.72 46.64 1jwd s GLY 24 CO 0.71 0.91 2.00 1.34 0.00 0.00 0.00 173.10 178.07 1jwd n ASP 25 N 0.36 3.44 -3.88 1.64 2.03 -1.26 -2.79 116.55 116.08 1jwd n ASP 25 Ca -0.01 -2.77 -0.11 0.00 0.52 0.00 0.00 54.79 52.41 1jwd n ASP 25 Cb 0.58 -1.49 -0.12 0.00 -0.72 0.00 0.00 41.12 39.37 1jwd n ASP 25 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1jwd s LYS 26 N 4.50 0.20 -0.40 -0.67 -2.85 -1.26 -5.05 119.74 114.21 1jwd s LYS 26 Ca 0.55 -0.16 -0.07 0.00 -1.00 0.00 0.00 55.97 55.30 1jwd s LYS 26 Cb 0.10 0.08 -0.21 0.00 -2.06 0.00 0.00 37.83 35.74 1jwd s LYS 26 CO 0.05 -0.04 3.43 0.72 0.10 0.00 0.00 175.35 179.61 1jwd n HIS 27 N 2.44 0.64 -3.96 1.78 8.25 -1.26 -4.70 115.22 118.41 1jwd n HIS 27 Ca -0.17 -1.89 -0.08 0.00 -0.26 0.00 0.00 57.72 55.32 1jwd n HIS 27 Cb 0.58 -1.80 -0.09 0.00 1.12 0.00 0.00 29.99 29.80 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 1.12 0.16 -0.08 1.59 -4.23 -1.26 -3.00 115.64 109.93 1jwd s THR 28 Ca 0.67 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.87 1jwd s THR 28 Cb 0.29 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.90 1jwd s THR 28 CO -0.02 -0.74 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.36 1jwd s LEU 29 N -2.62 1.93 0.78 4.79 1.43 0.35 -4.47 118.68 120.87 1jwd s LEU 29 Ca 0.02 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1jwd s LEU 29 Cb 0.04 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.15 1jwd s LEU 29 CO -0.08 0.13 1.13 -0.55 0.23 0.00 0.00 176.35 177.20 1jwd s SER 30 N 0.37 4.57 0.09 2.29 0.15 -1.26 -0.62 113.70 119.30 1jwd s SER 30 Ca -0.15 0.65 -0.33 0.00 0.70 0.00 0.00 55.95 56.82 1jwd s SER 30 Cb -0.16 -1.19 -0.15 0.00 -1.71 0.00 0.00 66.02 62.81 1jwd s SER 30 CO 0.06 -1.82 1.59 0.07 1.20 0.00 0.00 173.24 174.34 1jwd h LYS 31 N -0.92 -0.86 -0.01 5.44 2.10 -1.90 0.13 116.57 120.56 1jwd h LYS 31 Ca -0.45 0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.13 1jwd h LYS 31 Cb 1.32 0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.83 1jwd h LYS 31 CO 0.63 -0.57 -0.58 -0.22 -2.00 0.00 0.00 179.45 176.71 1jwd h LYS 32 N -0.89 0.02 -0.28 0.07 3.11 -1.95 0.42 116.57 117.06 1jwd h LYS 32 Ca -0.05 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 1jwd h LYS 32 Cb 0.78 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 1jwd h LYS 32 CO -0.04 0.60 0.12 1.49 -2.81 0.00 0.00 179.45 178.80 1jwd h GLU 33 N 0.02 0.42 -0.31 1.90 4.57 -1.88 0.15 114.58 119.45 1jwd h GLU 33 Ca -0.01 -0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1jwd h GLU 33 Cb 1.03 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.51 1jwd h GLU 33 CO 0.08 0.44 0.03 1.25 -1.18 0.00 0.00 179.01 179.64 1jwd h LEU 34 N 0.31 -0.05 -0.55 1.64 7.12 -0.43 0.72 115.31 124.07 1jwd h LEU 34 Ca 0.10 0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.26 1jwd h LEU 34 Cb 0.18 0.09 -0.07 0.00 -0.53 0.00 0.00 40.66 40.33 1jwd h LEU 34 CO -0.01 0.01 0.14 0.50 -0.13 0.00 0.00 178.44 178.96 1jwd h LYS 35 N 0.14 0.28 -0.50 1.25 3.64 -0.44 -0.33 116.57 120.61 1jwd h LYS 35 Ca 0.15 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1jwd h LYS 35 Cb 0.18 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1jwd h LYS 35 CO -0.22 0.19 0.23 1.49 -2.27 0.00 0.00 179.45 178.87 1jwd h GLU 36 N 0.29 0.43 -0.24 1.90 4.81 0.30 0.21 114.58 122.29 1jwd h GLU 36 Ca 0.28 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1jwd h GLU 36 Cb 0.37 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1jwd h GLU 36 CO -0.33 0.28 -0.25 1.25 -0.73 0.00 0.00 179.01 179.23 1jwd h LEU 37 N 0.44 -0.80 0.20 1.64 6.46 0.08 -0.19 115.31 123.14 1jwd h LEU 37 Ca 0.23 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1jwd h LEU 37 Cb 0.18 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1jwd h LEU 37 CO -0.19 -0.29 -0.10 0.40 -0.62 0.00 0.00 178.44 177.65 1jwd h ILE 38 N -0.26 0.86 -0.98 4.05 2.04 -0.37 0.71 117.51 123.55 1jwd h ILE 38 Ca 0.13 -0.30 0.17 0.00 1.00 0.00 0.00 64.86 65.86 1jwd h ILE 38 Cb 0.47 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.50 1jwd h ILE 38 CO -0.39 0.07 0.61 1.56 0.00 0.00 0.00 178.15 180.00 1jwd h GLN 39 N -0.42 0.77 0.36 2.37 1.08 -0.37 0.43 115.11 119.34 1jwd h GLN 39 Ca -0.03 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1jwd h GLN 39 Cb 0.32 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1jwd h GLN 39 CO 0.05 0.51 -0.17 -0.22 -0.95 0.00 0.00 178.83 178.04 1jwd h LYS 40 N 0.79 -0.47 0.50 1.46 1.63 -0.81 -3.34 116.57 116.33 1jwd h LYS 40 Ca 0.53 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.34 1jwd h LYS 40 Cb 0.78 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1jwd h LYS 40 CO -0.31 -0.31 -0.24 1.49 -3.45 0.00 0.00 179.45 176.64 1jwd h GLU 41 N -1.08 -0.64 -4.17 1.90 4.57 -0.42 -3.30 114.58 111.44 1jwd h GLU 41 Ca -0.05 0.04 -0.75 0.00 -1.18 0.00 0.00 59.36 57.43 1jwd h GLU 41 Cb 0.37 0.15 -0.17 0.00 -0.16 0.00 0.00 28.75 28.94 1jwd h GLU 41 CO 0.08 -0.37 1.62 1.28 -1.18 0.00 0.00 179.01 180.44 1jwd n LEU 42 N -5.23 5.86 -3.64 1.64 7.99 0.15 -4.93 117.00 118.83 1jwd n LEU 42 Ca -0.09 -4.56 -0.43 0.00 -0.01 0.00 0.00 56.01 50.91 1jwd n LEU 42 Cb 0.29 -1.55 -0.07 0.00 -0.11 0.00 0.00 43.42 41.98 1jwd n LEU 42 CO 0.24 1.03 1.95 0.41 -1.51 0.00 0.00 177.39 179.52 1jwd n THR 43 N 3.96 1.42 -2.05 -5.08 -1.04 -1.24 -4.35 114.28 105.89 1jwd n THR 43 Ca 0.38 -1.25 -0.28 0.00 -2.04 0.00 0.00 64.05 60.86 1jwd n THR 43 Cb 0.40 -2.24 -0.06 0.00 -1.82 0.00 0.00 70.33 66.60 1jwd n THR 43 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1jwd s ILE 44 N 5.74 3.53 0.50 12.58 -4.36 -1.26 -4.74 121.20 133.19 1jwd s ILE 44 Ca 0.60 -0.88 0.30 0.00 -0.26 0.00 0.00 60.65 60.41 1jwd s ILE 44 Cb 0.14 -4.54 0.48 0.00 1.25 0.00 0.00 42.46 39.79 1jwd s ILE 44 CO 0.17 -0.96 1.83 1.23 0.24 0.00 0.00 174.94 177.45 1jwd h GLY 45 N 17.91 0.34 -6.03 6.27 0.00 -1.96 -2.87 103.07 116.73 1jwd h GLY 45 Ca 0.21 -0.06 -0.46 0.00 0.00 0.00 0.00 47.33 47.02 1jwd h GLY 45 CO 1.22 -0.03 2.20 -1.14 0.00 0.00 0.00 176.54 178.79 1jwd n SER 46 N -4.33 3.10 -0.33 0.19 3.41 -1.26 -4.78 113.62 109.61 1jwd n SER 46 Ca 0.23 -2.44 0.28 0.00 -0.26 0.00 0.00 58.87 56.68 1jwd n SER 46 Cb 1.04 -0.99 0.60 0.00 -0.26 0.00 0.00 64.21 64.61 1jwd n SER 46 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jwd h LYS 47 N 7.42 0.23 -1.03 4.33 1.79 -1.93 0.26 116.57 127.65 1jwd h LYS 47 Ca 0.39 -0.01 0.25 0.00 -2.18 0.00 0.00 60.65 59.10 1jwd h LYS 47 Cb 0.38 -0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 30.88 1jwd h LYS 47 CO 1.65 0.15 0.65 -0.07 -1.08 0.00 0.00 179.45 180.75 1jwd h LEU 48 N 0.23 0.51 -1.35 2.94 -0.00 -1.88 0.77 115.31 116.54 1jwd h LEU 48 Ca 0.60 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.57 1jwd h LEU 48 Cb 1.85 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.52 1jwd h LEU 48 CO -0.21 0.11 0.06 0.00 -0.00 0.00 0.00 178.44 178.39 1jwd n GLN 49 N -4.67 0.13 -0.36 1.13 6.02 0.08 -1.53 117.38 118.18 1jwd n GLN 49 Ca 0.25 0.63 0.28 0.00 -0.01 0.00 0.00 57.00 58.15 1jwd n GLN 49 Cb 0.83 -1.99 0.56 0.00 1.02 0.00 0.00 30.24 30.65 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 0.38 -0.58 1.08 3.58 -1.05 0.36 116.42 120.19 1jwd h ASP 50 Ca 0.00 0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.62 1jwd h ASP 50 Cb 0.11 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 1jwd h ASP 50 CO 0.00 -0.02 0.28 0.00 -2.88 0.00 0.00 179.24 176.62 1jwd h ALA 51 N 1.63 0.75 -0.35 -0.78 0.00 -1.51 0.15 119.26 119.16 1jwd h ALA 51 Ca 0.68 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.60 1jwd h ALA 51 Cb 1.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1jwd h ALA 51 CO -0.36 -0.08 0.11 0.93 0.00 0.00 0.00 179.25 179.86 1jwd h GLU 52 N 0.53 0.53 -0.79 0.00 5.08 -0.60 -2.88 114.58 116.46 1jwd h GLU 52 Ca 0.27 -0.11 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1jwd h GLU 52 Cb 0.21 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1jwd h GLU 52 CO -0.20 0.55 0.44 0.82 -1.00 0.00 0.00 179.01 179.62 1jwd h ILE 53 N 0.41 0.90 -0.62 3.13 1.08 0.02 0.45 117.51 122.88 1jwd h ILE 53 Ca 0.11 -0.26 -0.09 0.00 -0.39 0.00 0.00 64.86 64.23 1jwd h ILE 53 Cb 0.24 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 1jwd h ILE 53 CO -0.00 0.14 0.02 -0.37 -0.69 0.00 0.00 178.15 177.24 1jwd h VAL 54 N 0.74 1.26 0.16 1.67 -1.51 -0.61 0.38 116.25 118.34 1jwd h VAL 54 Ca 0.38 -1.12 -0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1jwd h VAL 54 Cb 0.36 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1jwd h VAL 54 CO -0.25 0.41 -0.10 0.50 -1.23 0.00 0.00 177.57 176.91 1jwd h LYS 55 N 0.98 -0.24 -0.74 5.19 1.63 -1.16 0.54 116.57 122.78 1jwd h LYS 55 Ca 0.18 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 60.11 1jwd h LYS 55 Cb 0.53 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.13 1jwd h LYS 55 CO 0.03 -0.16 0.36 1.25 -3.45 0.00 0.00 179.45 177.47 1jwd h LEU 56 N -0.24 0.43 -0.58 5.20 6.46 -0.73 0.55 115.31 126.41 1jwd h LEU 56 Ca -0.01 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1jwd h LEU 56 Cb 0.20 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 1jwd h LEU 56 CO 0.02 0.23 0.24 -0.03 -0.62 0.00 0.00 178.44 178.27 1jwd h MET 57 N 0.57 0.86 -0.26 1.25 4.05 0.12 0.15 114.93 121.67 1jwd h MET 57 Ca 0.38 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1jwd h MET 57 Cb 0.46 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 1jwd h MET 57 CO -0.31 0.73 0.11 0.22 0.23 0.00 0.00 176.91 177.89 1jwd h ASP 58 N 0.79 0.14 -0.66 1.39 3.58 -0.06 0.17 116.42 121.78 1jwd h ASP 58 Ca 0.19 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1jwd h ASP 58 Cb 0.19 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 1jwd h ASP 58 CO -0.02 0.12 0.44 0.44 -2.88 0.00 0.00 179.24 177.34 1jwd h ASP 59 N 0.24 0.74 0.56 2.28 3.32 -0.08 0.19 116.42 123.67 1jwd h ASP 59 Ca 0.11 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1jwd h ASP 59 Cb 0.06 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.43 1jwd h ASP 59 CO -0.10 0.53 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.61 1jwd h LEU 60 N 0.87 -0.63 -2.48 1.55 3.38 -0.41 -3.33 115.31 114.25 1jwd h LEU 60 Ca 0.25 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1jwd h LEU 60 Cb -0.06 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1jwd h LEU 60 CO -0.06 -0.35 -0.02 -2.24 0.09 0.00 0.00 178.44 175.87 1jwd h ASP 61 N -0.96 0.00 -0.36 -0.43 3.04 -0.25 -2.79 116.42 114.68 1jwd h ASP 61 Ca -0.08 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.78 1jwd h ASP 61 Cb 0.57 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.80 1jwd h ASP 61 CO 0.13 0.02 -0.10 -1.14 -2.04 0.00 0.00 179.24 176.10 1jwd n ARG 62 N -3.68 -0.04 -0.34 4.15 0.63 0.62 -0.30 116.66 117.70 1jwd n ARG 62 Ca -0.03 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1jwd n ARG 62 Cb 0.10 -0.83 0.05 0.00 0.45 0.00 0.00 32.46 32.23 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 -4.57 -0.55 -2.69 6.15 4.05 -1.05 -3.59 115.26 113.01 1jwd n ASN 63 Ca 0.05 1.57 -0.07 0.00 0.45 0.00 0.00 54.58 56.58 1jwd n ASN 63 Cb 0.17 -0.38 0.07 0.00 1.23 0.00 0.00 39.78 40.88 1jwd n ASN 63 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1jwd n LYS 64 N -5.35 1.20 0.00 1.20 0.00 0.59 -5.02 118.16 110.79 1jwd n LYS 64 Ca 0.10 -2.56 0.00 0.00 0.00 0.00 0.00 58.31 55.85 1jwd n LYS 64 Cb 0.37 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 34.73 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 -0.38 0.00 0.12 3.14 5.68 0.39 -0.99 116.55 124.52 1jwd n ASP 65 Ca 0.03 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.33 1jwd n ASP 65 Cb 0.83 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 41.15 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 0.19 -4.30 0.11 4.20 -1.96 -3.42 115.11 109.94 1jwd h GLN 66 Ca 0.00 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.49 1jwd h GLN 66 Cb 0.00 -0.02 -0.14 0.00 0.30 0.00 0.00 27.48 27.62 1jwd h GLN 66 CO 0.00 0.44 -0.58 -1.21 -0.67 0.00 0.00 178.83 176.82 1jwd s GLU 67 N -4.46 0.96 -0.04 1.46 2.02 -0.16 -3.10 118.70 115.38 1jwd s GLU 67 Ca -0.05 -1.37 0.05 0.00 0.02 0.00 0.00 54.97 53.63 1jwd s GLU 67 Cb 0.15 0.27 -0.02 0.00 0.10 0.00 0.00 34.13 34.62 1jwd s GLU 67 CO 0.74 -0.29 -0.19 0.54 0.02 0.00 0.00 175.26 176.08 1jwd s VAL 68 N -4.02 2.62 0.26 2.63 0.11 0.21 -1.89 120.40 120.31 1jwd s VAL 68 Ca 0.22 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.32 1jwd s VAL 68 Cb 0.07 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.88 1jwd s VAL 68 CO 0.01 0.59 0.52 0.21 -3.33 0.00 0.00 175.10 173.09 1jwd s ASN 69 N -0.66 6.47 0.23 3.54 3.84 -1.26 -0.50 114.94 126.60 1jwd s ASN 69 Ca 0.10 0.70 -0.16 0.00 0.21 0.00 0.00 52.86 53.71 1jwd s ASN 69 Cb -0.10 -2.14 0.27 0.00 -0.55 0.00 0.00 41.25 38.73 1jwd s ASN 69 CO -0.00 -0.14 1.51 0.33 -2.79 0.00 0.00 177.10 176.01 1jwd n PHE 70 N -0.70 0.08 -0.12 0.43 7.35 -1.16 -0.60 117.46 122.73 1jwd n PHE 70 Ca -0.02 1.20 -0.07 0.00 -0.76 0.00 0.00 57.45 57.80 1jwd n PHE 70 Cb 0.53 -0.89 0.02 0.00 0.35 0.00 0.00 39.48 39.49 1jwd n PHE 70 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1jwd h GLN 71 N 0.00 0.42 -0.04 -4.13 4.15 -1.95 0.19 115.11 113.74 1jwd h GLN 71 Ca 0.36 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.61 1jwd h GLN 71 Cb 0.60 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1jwd h GLN 71 CO -0.97 0.28 -0.63 0.93 -1.93 0.00 0.00 178.83 176.51 1jwd h GLU 72 N 0.43 0.17 -0.13 1.69 4.39 -1.62 -0.26 114.58 119.25 1jwd h GLU 72 Ca 0.17 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.78 1jwd h GLU 72 Cb 0.05 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1jwd h GLU 72 CO -0.10 0.74 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.49 1jwd h TYR 73 N 0.12 -0.18 0.29 4.33 3.20 -0.27 0.17 116.97 124.65 1jwd h TYR 73 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1jwd h TYR 73 Cb 1.13 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1jwd h TYR 73 CO 0.02 -0.12 -0.24 0.82 -1.64 0.00 0.00 178.16 177.00 1jwd h ILE 74 N -0.07 0.49 -0.56 1.81 1.08 -0.38 0.10 117.51 119.99 1jwd h ILE 74 Ca 0.08 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.66 1jwd h ILE 74 Cb 0.18 0.49 -0.10 0.00 -3.07 0.00 0.00 36.82 34.33 1jwd h ILE 74 CO -0.18 0.00 -0.06 0.74 -0.69 0.00 0.00 178.15 177.96 1jwd h THR 75 N -0.54 0.50 -0.43 -0.27 2.02 -0.93 0.11 112.91 113.37 1jwd h THR 75 Ca -0.02 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1jwd h THR 75 Cb 0.48 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1jwd h THR 75 CO -0.02 0.01 0.25 0.15 0.37 0.00 0.00 175.52 176.29 1jwd h PHE 76 N 0.06 0.58 -0.56 3.16 3.57 -0.31 0.93 116.94 124.38 1jwd h PHE 76 Ca 0.28 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.82 1jwd h PHE 76 Cb 0.44 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1jwd h PHE 76 CO -0.40 0.42 0.37 -0.07 -2.23 0.00 0.00 178.31 176.40 1jwd h LEU 77 N 0.57 0.52 0.07 0.59 3.38 0.18 0.25 115.31 120.87 1jwd h LEU 77 Ca 0.15 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1jwd h LEU 77 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1jwd h LEU 77 CO -0.03 0.35 -0.10 1.23 0.09 0.00 0.00 178.44 179.98 1jwd h GLY 78 N 0.60 -0.18 0.43 0.83 0.00 0.67 0.23 103.07 105.65 1jwd h GLY 78 Ca 0.23 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.76 1jwd h GLY 78 CO -0.06 -0.11 0.19 0.00 0.00 0.00 0.00 176.54 176.56 1jwd h ALA 79 N 0.70 0.68 -0.73 3.60 0.00 0.43 -0.11 119.26 123.83 1jwd h ALA 79 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jwd h ALA 79 Cb 0.22 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1jwd h ALA 79 CO -0.05 -0.22 0.45 1.25 0.00 0.00 0.00 179.25 180.68 1jwd h LEU 80 N 0.36 0.86 -1.05 0.00 5.85 -0.24 0.14 115.31 121.23 1jwd h LEU 80 Ca 0.27 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1jwd h LEU 80 Cb 0.32 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1jwd h LEU 80 CO -0.29 0.66 0.64 0.00 -0.34 0.00 0.00 178.44 179.12 1jwd h ALA 81 N 1.24 1.34 0.03 1.25 0.00 0.16 0.11 119.26 123.39 1jwd h ALA 81 Ca 0.26 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jwd h ALA 81 Cb -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1jwd h ALA 81 CO -0.05 0.59 -0.02 1.98 0.00 0.00 0.00 179.25 181.76 1jwd h MET 82 N 1.27 -0.04 -0.91 0.00 1.85 0.04 -3.08 114.93 114.06 1jwd h MET 82 Ca 0.37 0.00 0.15 0.00 -0.61 0.00 0.00 59.70 59.61 1jwd h MET 82 Cb -0.08 0.01 -0.10 0.00 0.43 0.00 0.00 31.60 31.86 1jwd h MET 82 CO -0.10 0.04 0.51 0.82 -0.40 0.00 0.00 176.91 177.79 1jwd h ILE 83 N -0.12 0.75 -0.97 1.77 1.08 0.24 0.15 117.51 120.42 1jwd h ILE 83 Ca -0.00 -0.24 0.21 0.00 -0.39 0.00 0.00 64.86 64.43 1jwd h ILE 83 Cb 0.10 -0.02 -0.09 0.00 -3.07 0.00 0.00 36.82 33.75 1jwd h ILE 83 CO 0.01 0.13 0.62 1.88 -0.69 0.00 0.00 178.15 180.10 1jwd h TYR 84 N 0.71 0.76 0.00 1.37 -1.99 -0.73 -3.45 116.97 113.65 1jwd h TYR 84 Ca 0.49 0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.25 1jwd h TYR 84 Cb 0.68 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1jwd h TYR 84 CO -0.06 0.16 0.00 -1.71 -0.00 0.00 0.00 178.16 176.56 1jwd n ASN 85 N -4.62 0.00 -0.33 3.88 5.15 0.53 -4.20 115.26 115.68 1jwd n ASN 85 Ca 0.22 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.34 1jwd n ASN 85 Cb 0.69 0.00 0.33 0.00 -0.53 0.00 0.00 39.78 40.27 1jwd n ASN 85 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1jwd h GLU 86 N 0.00 0.54 -0.88 1.20 4.39 -1.87 0.13 114.58 118.10 1jwd h GLU 86 Ca 0.00 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.80 1jwd h GLU 86 Cb 0.00 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.46 1jwd h GLU 86 CO 0.00 0.36 0.57 0.00 -1.16 0.00 0.00 179.01 178.78 1jwd h ALA 87 N 1.69 1.78 0.00 3.43 0.00 -1.87 0.15 119.26 124.43 1jwd h ALA 87 Ca 0.58 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1jwd h ALA 87 Cb 1.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1jwd h ALA 87 CO -0.46 0.00 -0.35 -0.07 0.00 0.00 0.00 179.25 178.37 1jwd h LEU 88 N 0.74 0.00 -1.10 0.00 3.38 -1.12 -3.39 115.31 113.81 1jwd h LEU 88 Ca 0.43 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jwd h LEU 88 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1jwd h LEU 88 CO -0.19 0.94 0.43 0.11 0.09 0.00 0.00 178.44 179.81 1jwd h LYS 89 N -1.00 1.05 0.00 1.13 1.79 -0.72 -3.52 116.57 115.30 1jwd h LYS 89 Ca -0.08 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1jwd h LYS 89 Cb 0.73 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1jwd h LYS 89 CO -0.05 0.76 0.00 0.41 -1.08 0.00 0.00 179.45 179.49