#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 0.06 -0.79 -5.12 0.00 -2.05 -3.39 119.26 107.97 1jwd h ALA 2 Ca 0.00 -0.56 0.18 0.00 0.00 0.00 0.00 54.91 54.53 1jwd h ALA 2 Cb 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 1jwd h ALA 2 CO 0.00 0.25 -0.07 0.77 0.00 0.00 0.00 179.25 180.20 1jwd h SER 3 N -1.00 -0.51 -0.90 0.00 0.02 -2.05 0.14 113.55 109.26 1jwd h SER 3 Ca -0.09 0.22 0.16 0.00 -0.84 0.00 0.00 61.79 61.25 1jwd h SER 3 Cb 0.77 0.41 -0.07 0.00 0.14 0.00 0.00 62.40 63.65 1jwd h SER 3 CO -0.05 -0.23 0.58 -0.65 -1.14 0.00 0.00 176.83 175.34 1jwd h PRO 4 N 0.05 0.60 0.05 3.45 0.11 -2.01 0.78 132.00 135.03 1jwd h PRO 4 Ca 0.42 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.43 1jwd h PRO 4 Cb 0.72 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.70 1jwd h PRO 4 CO -0.75 0.40 -0.31 1.25 -0.21 0.00 0.00 178.00 178.38 1jwd h LEU 5 N 0.62 0.15 -0.75 2.35 5.85 -1.01 -3.29 115.31 119.23 1jwd h LEU 5 Ca 0.47 -0.97 0.13 0.00 0.84 0.00 0.00 57.88 58.34 1jwd h LEU 5 Cb 0.86 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1jwd h LEU 5 CO -0.21 1.15 0.33 0.44 -0.34 0.00 0.00 178.44 179.80 1jwd h ASP 6 N -0.79 0.37 -0.92 1.25 3.32 -0.46 0.23 116.42 119.41 1jwd h ASP 6 Ca -0.06 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1jwd h ASP 6 Cb 1.22 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.77 1jwd h ASP 6 CO 0.04 0.17 0.61 0.06 -1.72 0.00 0.00 179.24 178.40 1jwd h GLN 7 N 0.51 1.19 0.28 3.56 -0.00 -1.02 0.18 115.11 119.81 1jwd h GLN 7 Ca 0.40 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.96 1jwd h GLN 7 Cb 0.55 -0.27 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 1jwd h GLN 7 CO -0.36 0.79 -0.13 0.00 -0.00 0.00 0.00 178.83 179.13 1jwd h ALA 8 N 1.44 -0.37 -0.73 0.06 0.00 -0.68 0.37 119.26 119.36 1jwd h ALA 8 Ca 0.34 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jwd h ALA 8 Cb -0.12 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1jwd h ALA 8 CO -0.08 -0.51 0.45 -0.84 0.00 0.00 0.00 179.25 178.27 1jwd h ILE 9 N -0.77 1.07 -0.85 0.00 3.07 -1.19 -0.27 117.51 118.56 1jwd h ILE 9 Ca -0.04 -0.29 0.21 0.00 1.55 0.00 0.00 64.86 66.28 1jwd h ILE 9 Cb 0.50 0.14 -0.12 0.00 -0.27 0.00 0.00 36.82 37.07 1jwd h ILE 9 CO 0.06 0.16 0.29 1.23 -1.05 0.00 0.00 178.15 178.84 1jwd h GLY 10 N 0.86 1.34 0.83 0.16 0.00 -0.46 -0.61 103.07 105.18 1jwd h GLY 10 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1jwd h GLY 10 CO -0.13 -0.27 -0.46 -2.00 0.00 0.00 0.00 176.54 173.68 1jwd h LEU 11 N 0.31 -1.16 -0.50 3.11 7.12 0.16 0.24 115.31 124.60 1jwd h LEU 11 Ca 0.51 0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.68 1jwd h LEU 11 Cb 0.97 0.34 -0.08 0.00 -0.53 0.00 0.00 40.66 41.36 1jwd h LEU 11 CO -0.56 -0.71 0.05 -0.07 -0.13 0.00 0.00 178.44 177.02 1jwd h LEU 12 N -1.14 -0.11 0.02 2.25 4.07 -1.07 0.52 115.31 119.85 1jwd h LEU 12 Ca -0.10 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jwd h LEU 12 Cb 0.91 0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1jwd h LEU 12 CO 0.10 -0.03 -0.01 0.40 -1.08 0.00 0.00 178.44 177.83 1jwd h ILE 13 N 0.17 1.06 -0.20 1.22 2.04 -0.90 -0.72 117.51 120.18 1jwd h ILE 13 Ca 0.25 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1jwd h ILE 13 Cb 0.36 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1jwd h ILE 13 CO -0.37 0.06 0.12 1.23 0.00 0.00 0.00 178.15 179.18 1jwd h GLY 14 N -0.12 0.29 0.32 5.37 0.00 -0.13 0.13 103.07 108.93 1jwd h GLY 14 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.23 1jwd h GLY 14 CO 0.00 0.12 -0.34 -2.22 0.00 0.00 0.00 176.54 174.10 1jwd h ILE 15 N 0.24 0.28 0.23 2.60 2.04 -0.84 0.10 117.51 122.16 1jwd h ILE 15 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1jwd h ILE 15 Cb 0.03 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1jwd h ILE 15 CO -0.01 0.00 -0.49 0.15 0.00 0.00 0.00 178.15 177.79 1jwd h PHE 16 N -0.52 -1.41 0.00 1.37 3.04 -0.68 -1.13 116.94 117.61 1jwd h PHE 16 Ca 0.05 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 1jwd h PHE 16 Cb 0.59 0.58 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 1jwd h PHE 16 CO -0.34 -0.60 -0.37 0.45 -2.02 0.00 0.00 178.31 175.43 1jwd h HIS 17 N -0.80 0.00 0.43 0.41 3.86 -0.87 0.10 115.15 118.28 1jwd h HIS 17 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1jwd h HIS 17 Cb 0.77 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 1jwd h HIS 17 CO -0.38 0.37 -0.24 -0.22 0.86 0.00 0.00 177.93 178.32 1jwd h LYS 18 N 0.00 -0.61 -0.62 2.45 3.64 -0.44 0.19 116.57 121.18 1jwd h LYS 18 Ca -0.00 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1jwd h LYS 18 Cb 0.75 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1jwd h LYS 18 CO 0.05 -0.41 0.31 1.88 -2.27 0.00 0.00 179.45 179.01 1jwd h TYR 19 N -0.63 0.89 -0.04 1.91 -1.99 -0.40 -0.06 116.97 116.64 1jwd h TYR 19 Ca -0.05 -0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.66 1jwd h TYR 19 Cb 0.51 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1jwd h TYR 19 CO -0.07 0.66 -0.06 0.77 -0.00 0.00 0.00 178.16 179.46 1jwd h SER 20 N 0.85 -0.18 -0.89 3.88 0.02 -0.80 -2.71 113.55 113.73 1jwd h SER 20 Ca 0.21 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.36 1jwd h SER 20 Cb 0.10 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.63 1jwd h SER 20 CO -0.03 -0.09 0.47 1.23 -1.14 0.00 0.00 176.83 177.28 1jwd h GLY 21 N -0.09 1.48 -0.05 -3.77 0.00 -0.12 0.10 103.07 100.62 1jwd h GLY 21 Ca 0.04 -0.27 0.23 0.00 0.00 0.00 0.00 47.33 47.33 1jwd h GLY 21 CO -0.09 -0.05 0.62 1.70 0.00 0.00 0.00 176.54 178.71 1jwd h LYS 22 N 0.64 0.56 -0.49 4.80 3.64 -0.68 0.92 116.57 125.96 1jwd h LYS 22 Ca 0.49 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.67 1jwd h LYS 22 Cb 0.73 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.32 1jwd h LYS 22 CO -0.38 0.37 0.11 -0.85 -2.27 0.00 0.00 179.45 176.43 1jwd n GLU 23 N -4.77 2.71 -2.32 1.90 0.28 -0.09 -4.95 120.64 113.39 1jwd n GLU 23 Ca 0.25 -3.04 -0.16 0.00 -0.16 0.00 0.00 57.16 54.05 1jwd n GLU 23 Cb 0.73 -1.97 -0.01 0.00 1.43 0.00 0.00 31.44 31.62 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 -0.69 -0.28 3.92 -1.84 0.00 0.32 -4.98 105.19 101.64 1jwd n GLY 24 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1jwd n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jwd s ASP 25 N -2.07 6.15 0.00 1.61 -1.08 0.16 -4.94 116.67 116.51 1jwd s ASP 25 Ca 0.00 0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 1jwd s ASP 25 Cb 0.00 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 1jwd s ASP 25 CO 0.00 0.00 0.00 0.29 0.52 0.00 0.00 175.17 175.98 1jwd n LYS 26 N -0.88 0.00 -0.38 4.34 5.02 -1.26 -3.15 118.16 121.85 1jwd n LYS 26 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1jwd n LYS 26 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 1jwd n LYS 26 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jwd n HIS 27 N 0.00 0.00 -3.78 2.13 8.25 -1.26 -4.75 115.22 115.82 1jwd n HIS 27 Ca 0.00 -0.87 -0.12 0.00 -0.26 0.00 0.00 57.72 56.46 1jwd n HIS 27 Cb 0.00 -0.44 -0.08 0.00 1.12 0.00 0.00 29.99 30.59 1jwd n HIS 27 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1jwd s THR 28 N 0.04 0.07 0.07 1.59 2.01 -1.26 -1.01 115.64 117.15 1jwd s THR 28 Ca 0.00 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1jwd s THR 28 Cb 0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1jwd s THR 28 CO 0.00 -0.32 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.69 1jwd s LEU 29 N -1.55 2.25 0.59 4.42 1.43 0.63 -4.54 118.68 121.92 1jwd s LEU 29 Ca -0.11 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 1jwd s LEU 29 Cb -0.04 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1jwd s LEU 29 CO 0.02 0.01 0.93 -0.94 0.23 0.00 0.00 176.35 176.60 1jwd s SER 30 N -1.61 5.80 0.18 2.29 1.04 -1.26 -0.31 113.70 119.84 1jwd s SER 30 Ca 0.02 0.94 -0.22 0.00 0.48 0.00 0.00 55.95 57.18 1jwd s SER 30 Cb -0.09 -1.98 0.11 0.00 0.10 0.00 0.00 66.02 64.16 1jwd s SER 30 CO 0.03 -0.98 1.58 0.07 0.98 0.00 0.00 173.24 174.92 1jwd h LYS 31 N -0.20 -0.16 0.03 4.02 2.10 -1.35 0.14 116.57 121.15 1jwd h LYS 31 Ca -0.45 0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 57.99 1jwd h LYS 31 Cb 1.23 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1jwd h LYS 31 CO 0.62 -0.11 -0.99 -0.22 -2.00 0.00 0.00 179.45 176.75 1jwd h LYS 32 N -0.17 0.23 -0.77 0.07 3.64 -1.95 -0.78 116.57 116.84 1jwd h LYS 32 Ca 0.23 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1jwd h LYS 32 Cb 0.56 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1jwd h LYS 32 CO -0.69 1.05 0.50 1.49 -2.27 0.00 0.00 179.45 179.53 1jwd h GLU 33 N 0.11 1.01 -0.03 1.90 4.57 -1.85 0.53 114.58 120.81 1jwd h GLU 33 Ca -0.07 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1jwd h GLU 33 Cb 1.66 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 1jwd h GLU 33 CO 0.15 0.68 -0.01 1.25 -1.18 0.00 0.00 179.01 179.90 1jwd h LEU 34 N 1.04 -0.03 -0.47 1.64 7.12 -0.45 0.97 115.31 125.13 1jwd h LEU 34 Ca 0.28 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.39 1jwd h LEU 34 Cb -0.11 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 39.96 1jwd h LEU 34 CO -0.06 -0.01 -0.06 0.50 -0.13 0.00 0.00 178.44 178.68 1jwd h LYS 35 N 0.00 0.05 -0.40 1.25 3.64 -0.61 -0.47 116.57 120.03 1jwd h LYS 35 Ca 0.02 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1jwd h LYS 35 Cb 0.02 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1jwd h LYS 35 CO -0.03 0.03 0.10 1.49 -2.27 0.00 0.00 179.45 178.77 1jwd h GLU 36 N 0.05 0.23 -0.42 1.90 4.57 -0.43 0.16 114.58 120.64 1jwd h GLU 36 Ca 0.23 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.48 1jwd h GLU 36 Cb 0.35 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.80 1jwd h GLU 36 CO -0.44 0.15 -0.31 1.25 -1.18 0.00 0.00 179.01 178.49 1jwd h LEU 37 N 0.23 -1.03 -0.97 1.64 6.46 0.05 -0.69 115.31 121.01 1jwd h LEU 37 Ca 0.19 0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 58.08 1jwd h LEU 37 Cb 0.22 0.49 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1jwd h LEU 37 CO -0.24 -0.31 -0.00 0.40 -0.62 0.00 0.00 178.44 177.67 1jwd h ILE 38 N -0.22 1.24 -0.61 4.05 2.04 -0.00 0.13 117.51 124.13 1jwd h ILE 38 Ca 0.19 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1jwd h ILE 38 Cb 0.53 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1jwd h ILE 38 CO -0.55 0.34 0.34 1.56 0.00 0.00 0.00 178.15 179.84 1jwd h GLN 39 N 0.70 0.86 0.24 2.37 1.08 0.25 0.23 115.11 120.83 1jwd h GLN 39 Ca 0.14 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1jwd h GLN 39 Cb 0.43 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1jwd h GLN 39 CO 0.02 0.65 -0.12 -0.22 -0.95 0.00 0.00 178.83 178.21 1jwd h LYS 40 N 0.83 -0.31 0.59 1.46 3.11 -0.74 -2.33 116.57 119.18 1jwd h LYS 40 Ca 0.22 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.05 1jwd h LYS 40 Cb 0.04 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.35 1jwd h LYS 40 CO -0.04 0.04 -0.28 0.93 -2.81 0.00 0.00 179.45 177.29 1jwd h GLU 41 N -0.75 -0.77 0.05 1.90 3.07 -0.63 -3.37 114.58 114.07 1jwd h GLU 41 Ca -0.03 0.05 -0.37 0.00 -0.50 0.00 0.00 59.36 58.51 1jwd h GLU 41 Cb 0.50 0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 28.54 1jwd h GLU 41 CO 0.05 -0.46 -2.14 1.28 -1.40 0.00 0.00 179.01 176.35 1jwd n LEU 42 N -5.36 2.55 -3.45 1.33 4.77 0.72 -5.02 117.00 112.53 1jwd n LEU 42 Ca -0.12 0.14 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 1jwd n LEU 42 Cb 0.35 -0.98 0.08 0.00 -2.33 0.00 0.00 43.42 40.53 1jwd n LEU 42 CO 0.33 0.76 0.07 0.41 -1.33 0.00 0.00 177.39 177.63 1jwd n THR 43 N -3.66 -6.22 -1.71 -5.08 -1.04 -0.77 -4.89 114.28 90.92 1jwd n THR 43 Ca -0.40 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.05 60.57 1jwd n THR 43 Cb 0.95 -5.01 0.01 0.00 -1.82 0.00 0.00 70.33 64.46 1jwd n THR 43 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1jwd n ILE 44 N -4.02 2.66 -0.96 12.58 -0.00 -1.26 -4.62 119.36 123.73 1jwd n ILE 44 Ca -0.26 -0.50 -0.21 0.00 -0.00 0.00 0.00 62.75 61.78 1jwd n ILE 44 Cb 0.66 -1.62 -0.12 0.00 -0.00 0.00 0.00 39.64 38.56 1jwd n ILE 44 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1jwd n GLY 45 N 0.77 -0.32 3.42 3.28 0.00 -1.26 -0.80 105.19 110.28 1jwd n GLY 45 Ca 0.06 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 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 5.40 -2.29 -1.27 1.61 7.64 -1.26 -0.84 113.62 122.61 1jwd n SER 46 Ca 0.43 -0.35 -0.15 0.00 1.01 0.00 0.00 58.87 59.81 1jwd n SER 46 Cb 0.05 -1.98 -0.06 0.00 -1.01 0.00 0.00 64.21 61.20 1jwd n SER 46 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1jwd n LYS 47 N -3.41 -1.48 -0.06 1.43 4.01 0.02 -4.84 118.16 113.83 1jwd n LYS 47 Ca 0.03 0.93 0.05 0.00 -0.51 0.00 0.00 58.31 58.81 1jwd n LYS 47 Cb 0.50 -5.22 0.41 0.00 -0.51 0.00 0.00 35.03 30.21 1jwd n LYS 47 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1jwd h LEU 48 N 0.00 0.52 -0.48 -0.35 3.38 -1.22 -0.23 115.31 116.93 1jwd h LEU 48 Ca -0.30 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1jwd h LEU 48 Cb 1.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1jwd h LEU 48 CO 0.44 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1jwd n GLN 49 N -4.47 1.02 -0.33 1.13 1.13 -1.26 -4.45 117.38 110.15 1jwd n GLN 49 Ca 0.06 -0.02 0.14 0.00 -1.94 0.00 0.00 57.00 55.23 1jwd n GLN 49 Cb 0.13 -1.24 0.32 0.00 0.11 0.00 0.00 30.24 29.56 1jwd n GLN 49 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1jwd h ASP 50 N 0.03 0.56 -0.54 1.08 3.58 -1.42 0.36 116.42 120.07 1jwd h ASP 50 Ca 0.00 0.13 0.10 0.00 0.42 0.00 0.00 57.03 57.68 1jwd h ASP 50 Cb 0.24 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.26 1jwd h ASP 50 CO 0.00 0.12 0.08 0.00 -2.88 0.00 0.00 179.24 176.56 1jwd h ALA 51 N 1.68 0.59 -0.52 -0.78 0.00 -1.85 0.17 119.26 118.55 1jwd h ALA 51 Ca 0.57 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.54 1jwd h ALA 51 Cb 1.02 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1jwd h ALA 51 CO -0.46 -0.33 0.04 0.93 0.00 0.00 0.00 179.25 179.43 1jwd h GLU 52 N 0.21 0.88 -0.29 0.00 4.39 -0.72 -0.99 114.58 118.05 1jwd h GLU 52 Ca 0.28 -0.26 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1jwd h GLU 52 Cb 0.40 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1jwd h GLU 52 CO -0.38 0.89 -0.05 0.82 -1.16 0.00 0.00 179.01 179.13 1jwd h ILE 53 N 0.76 0.73 -0.28 3.13 1.08 0.03 0.81 117.51 123.76 1jwd h ILE 53 Ca 0.15 -0.01 -0.11 0.00 -0.39 0.00 0.00 64.86 64.51 1jwd h ILE 53 Cb 0.46 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1jwd h ILE 53 CO 0.02 0.00 -0.28 -0.37 -0.69 0.00 0.00 178.15 176.84 1jwd h VAL 54 N 0.03 1.27 0.46 1.67 -1.51 -0.38 0.28 116.25 118.07 1jwd h VAL 54 Ca 0.14 -1.35 -0.02 0.00 -1.23 0.00 0.00 66.70 64.24 1jwd h VAL 54 Cb 0.21 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1jwd h VAL 54 CO -0.28 0.43 -0.26 0.50 -1.23 0.00 0.00 177.57 176.73 1jwd h LYS 55 N 0.49 -0.66 -0.61 5.19 1.63 -0.83 0.21 116.57 122.00 1jwd h LYS 55 Ca 0.07 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.02 1jwd h LYS 55 Cb 0.73 0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 32.43 1jwd h LYS 55 CO 0.06 -0.44 0.14 1.25 -3.45 0.00 0.00 179.45 177.01 1jwd h LEU 56 N -0.68 0.02 -0.68 5.20 6.46 -0.63 0.36 115.31 125.36 1jwd h LEU 56 Ca -0.06 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1jwd h LEU 56 Cb 0.55 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1jwd h LEU 56 CO 0.07 0.01 0.26 -0.03 -0.62 0.00 0.00 178.44 178.14 1jwd h MET 57 N 0.27 1.02 -0.25 1.25 4.05 -0.27 0.25 114.93 121.24 1jwd h MET 57 Ca 0.32 -0.19 0.02 0.00 -0.28 0.00 0.00 59.70 59.57 1jwd h MET 57 Cb 0.48 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1jwd h MET 57 CO -0.40 0.85 0.12 0.22 0.23 0.00 0.00 176.91 177.93 1jwd h ASP 58 N 0.96 0.18 -0.23 1.39 3.58 0.50 0.26 116.42 123.06 1jwd h ASP 58 Ca 0.22 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.71 1jwd h ASP 58 Cb 0.22 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1jwd h ASP 58 CO -0.02 0.14 0.06 0.44 -2.88 0.00 0.00 179.24 176.98 1jwd h ASP 59 N 0.26 0.04 0.07 2.28 3.32 -0.39 0.13 116.42 122.14 1jwd h ASP 59 Ca 0.10 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1jwd h ASP 59 Cb 0.03 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1jwd h ASP 59 CO -0.07 0.06 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.25 1jwd h LEU 60 N 0.16 -0.53 -0.57 1.55 3.38 -0.71 -3.23 115.31 115.36 1jwd h LEU 60 Ca 0.11 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1jwd h LEU 60 Cb 0.09 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jwd h LEU 60 CO -0.13 -0.26 -0.07 -2.24 0.09 0.00 0.00 178.44 175.83 1jwd h ASP 61 N -0.34 0.00 -0.94 -0.43 2.03 -0.06 -3.19 116.42 113.48 1jwd h ASP 61 Ca 0.03 0.00 0.29 0.00 -0.73 0.00 0.00 57.03 56.62 1jwd h ASP 61 Cb 0.38 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 38.72 1jwd h ASP 61 CO -0.13 0.07 0.30 -0.09 -1.03 0.00 0.00 179.24 178.36 1jwd h ARG 62 N 0.00 0.14 -0.12 4.15 2.43 -0.77 0.02 114.38 120.24 1jwd h ARG 62 Ca -0.00 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1jwd h ARG 62 Cb 0.86 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 1jwd h ARG 62 CO 0.01 0.10 -0.06 -1.71 -1.51 0.00 0.00 179.97 176.80 1jwd n ASN 63 N -5.26 -0.10 -3.18 -3.80 5.15 -1.20 -1.05 115.26 105.82 1jwd n ASN 63 Ca 0.26 0.21 -0.19 0.00 -0.60 0.00 0.00 54.58 54.26 1jwd n ASN 63 Cb 0.85 -0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 40.03 1jwd n ASN 63 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1jwd n LYS 64 N -4.16 1.11 0.00 1.20 5.02 -0.15 -4.99 118.16 116.19 1jwd n LYS 64 Ca 0.01 -3.47 0.00 0.00 -2.02 0.00 0.00 58.31 52.82 1jwd n LYS 64 Cb 0.04 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1jwd n LYS 64 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jwd n ASP 65 N 0.35 0.00 0.00 4.39 5.68 -0.21 -0.87 116.55 125.89 1jwd n ASP 65 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1jwd n ASP 65 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1jwd n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jwd n GLN 66 N 0.00 -0.20 -5.06 0.11 1.13 -1.23 -4.05 117.38 108.08 1jwd n GLN 66 Ca 0.00 -0.58 -0.28 0.00 -1.94 0.00 0.00 57.00 54.20 1jwd n GLN 66 Cb 0.00 -0.91 -0.16 0.00 0.11 0.00 0.00 30.24 29.28 1jwd n GLN 66 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1jwd s GLU 67 N -0.15 1.89 -0.06 -1.09 8.01 -0.05 -0.81 118.70 126.44 1jwd s GLU 67 Ca 0.00 -0.77 -0.11 0.00 0.01 0.00 0.00 54.97 54.10 1jwd s GLU 67 Cb 0.00 -1.74 -0.05 0.00 -4.31 0.00 0.00 34.13 28.03 1jwd s GLU 67 CO 0.00 0.41 0.29 0.08 0.01 0.00 0.00 175.26 176.05 1jwd s VAL 68 N -0.36 5.25 0.05 2.63 1.01 0.58 -1.55 120.40 128.02 1jwd s VAL 68 Ca 0.04 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.63 1jwd s VAL 68 Cb -0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1jwd s VAL 68 CO 0.00 0.59 -0.08 0.21 0.00 0.00 0.00 175.10 175.83 1jwd s ASN 69 N -1.03 4.52 0.13 3.32 2.47 -1.26 -0.27 114.94 122.82 1jwd s ASN 69 Ca 0.20 -0.26 -0.28 0.00 0.42 0.00 0.00 52.86 52.94 1jwd s ASN 69 Cb -0.15 -0.96 -0.07 0.00 -1.45 0.00 0.00 41.25 38.62 1jwd s ASN 69 CO 0.09 0.23 1.48 0.15 -3.72 0.00 0.00 177.10 175.33 1jwd h PHE 70 N 4.06 -1.62 -0.68 0.43 3.57 -1.45 0.46 116.94 121.71 1jwd h PHE 70 Ca -0.48 0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.10 1jwd h PHE 70 Cb 1.17 0.80 -0.03 0.00 2.79 0.00 0.00 35.95 40.68 1jwd h PHE 70 CO 0.59 -0.36 0.35 0.37 -2.23 0.00 0.00 178.31 177.03 1jwd h GLN 71 N -0.10 0.95 -0.49 1.11 4.15 -1.97 -0.58 115.11 118.18 1jwd h GLN 71 Ca 0.12 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 1jwd h GLN 71 Cb 0.41 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1jwd h GLN 71 CO -0.74 0.72 -0.16 0.93 -1.93 0.00 0.00 178.83 177.65 1jwd h GLU 72 N 0.95 0.95 -0.19 1.69 3.07 -1.73 0.57 114.58 119.90 1jwd h GLU 72 Ca 0.24 -0.37 0.05 0.00 -0.50 0.00 0.00 59.36 58.78 1jwd h GLU 72 Cb 0.06 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.87 1jwd h GLU 72 CO -0.04 1.03 -0.12 -0.92 -1.40 0.00 0.00 179.01 177.56 1jwd h TYR 73 N 0.83 -0.30 0.01 4.33 5.03 0.16 0.17 116.97 127.19 1jwd h TYR 73 Ca 0.12 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1jwd h TYR 73 Cb 0.71 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.14 1jwd h TYR 73 CO 0.04 -0.19 -0.08 0.82 -1.32 0.00 0.00 178.16 177.44 1jwd h ILE 74 N -0.12 0.81 -0.46 1.81 1.08 -0.71 0.95 117.51 120.86 1jwd h ILE 74 Ca 0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.67 1jwd h ILE 74 Cb 0.28 0.81 -0.09 0.00 -3.07 0.00 0.00 36.82 34.75 1jwd h ILE 74 CO -0.26 0.00 -0.15 0.74 -0.69 0.00 0.00 178.15 177.79 1jwd h THR 75 N -0.14 0.48 -0.53 -0.27 2.02 -0.64 1.00 112.91 114.82 1jwd h THR 75 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1jwd h THR 75 Cb 0.17 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1jwd h THR 75 CO -0.07 0.00 0.26 0.15 0.37 0.00 0.00 175.52 176.23 1jwd h PHE 76 N -0.04 0.76 -0.80 3.16 3.04 -0.29 -0.17 116.94 122.59 1jwd h PHE 76 Ca 0.22 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.19 1jwd h PHE 76 Cb 0.38 -0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 1jwd h PHE 76 CO -0.43 0.59 0.53 -0.07 -2.02 0.00 0.00 178.31 176.91 1jwd h LEU 77 N 0.71 0.80 0.01 0.59 3.38 0.22 0.36 115.31 121.38 1jwd h LEU 77 Ca 0.18 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1jwd h LEU 77 Cb 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1jwd h LEU 77 CO -0.02 0.53 -0.29 1.23 0.09 0.00 0.00 178.44 179.98 1jwd h GLY 78 N 0.92 -0.46 0.62 0.83 0.00 0.28 0.11 103.07 105.37 1jwd h GLY 78 Ca 0.34 0.34 0.08 0.00 0.00 0.00 0.00 47.33 48.09 1jwd h GLY 78 CO -0.11 -0.22 0.48 0.00 0.00 0.00 0.00 176.54 176.69 1jwd h ALA 79 N 0.33 1.14 -0.32 3.60 0.00 0.32 -0.06 119.26 124.28 1jwd h ALA 79 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jwd h ALA 79 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jwd h ALA 79 CO -0.24 0.16 0.19 1.25 0.00 0.00 0.00 179.25 180.61 1jwd h LEU 80 N 0.84 0.38 -0.78 0.00 5.85 0.11 0.19 115.31 121.90 1jwd h LEU 80 Ca 0.37 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.08 1jwd h LEU 80 Cb 0.26 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1jwd h LEU 80 CO -0.21 0.31 0.50 0.00 -0.34 0.00 0.00 178.44 178.70 1jwd h ALA 81 N 1.08 1.03 -0.62 1.25 0.00 -0.30 0.14 119.26 121.85 1jwd h ALA 81 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jwd h ALA 81 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1jwd h ALA 81 CO -0.02 0.31 0.29 1.98 0.00 0.00 0.00 179.25 181.80 1jwd h MET 82 N 0.97 0.89 -0.97 0.00 1.85 -0.15 -2.30 114.93 115.22 1jwd h MET 82 Ca 0.31 -0.14 0.01 0.00 -0.61 0.00 0.00 59.70 59.27 1jwd h MET 82 Cb 0.01 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 31.84 1jwd h MET 82 CO -0.11 0.73 0.64 0.82 -0.40 0.00 0.00 176.91 178.58 1jwd h ILE 83 N 0.85 1.25 0.00 1.77 2.04 -0.08 -2.68 117.51 120.65 1jwd h ILE 83 Ca 0.21 -0.46 -0.28 0.00 1.00 0.00 0.00 64.86 65.33 1jwd h ILE 83 Cb 0.13 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1jwd h ILE 83 CO -0.02 0.24 1.56 -1.22 0.00 0.00 0.00 178.15 178.70 1jwd n TYR 84 N -4.41 0.84 -0.14 1.37 4.01 0.45 -4.69 117.16 114.60 1jwd n TYR 84 Ca 0.11 -1.57 0.08 0.00 -0.16 0.00 0.00 57.90 56.37 1jwd n TYR 84 Cb 0.01 -1.48 0.41 0.00 -0.31 0.00 0.00 39.34 37.98 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 5.36 0.55 -1.01 7.72 -0.73 -1.58 0.18 115.58 126.08 1jwd h ASN 85 Ca 0.35 0.00 0.24 0.00 1.87 0.00 0.00 56.30 58.77 1jwd h ASN 85 Cb 0.48 -0.11 -0.12 0.00 0.27 0.00 0.00 38.32 38.84 1jwd h ASN 85 CO 0.99 0.35 0.60 -0.33 -0.37 0.00 0.00 177.43 178.68 1jwd h GLU 86 N 0.62 0.57 0.16 6.67 5.08 -1.89 0.15 114.58 125.95 1jwd h GLU 86 Ca 0.29 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1jwd h GLU 86 Cb 0.33 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1jwd h GLU 86 CO -0.09 0.38 -0.08 0.00 -1.00 0.00 0.00 179.01 178.22 1jwd h ALA 87 N 1.72 -0.21 -0.97 3.43 0.00 -0.95 -3.14 119.26 119.14 1jwd h ALA 87 Ca 0.64 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.56 1jwd h ALA 87 Cb 1.22 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1jwd h ALA 87 CO -0.46 -0.51 0.61 -0.07 0.00 0.00 0.00 179.25 178.82 1jwd h LEU 88 N -0.42 0.80 -1.26 0.00 3.38 -0.75 0.43 115.31 117.49 1jwd h LEU 88 Ca -0.02 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1jwd h LEU 88 Cb 0.33 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 1jwd h LEU 88 CO 0.04 0.38 0.63 0.11 0.09 0.00 0.00 178.44 179.69 1jwd h LYS 89 N 0.84 0.52 0.00 1.13 1.57 -0.78 -3.52 116.57 116.33 1jwd h LYS 89 Ca 0.51 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1jwd h LYS 89 Cb 0.68 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1jwd h LYS 89 CO -0.28 0.34 0.00 0.41 -0.57 0.00 0.00 179.45 179.36