#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 -0.35 3.04 0.00 -1.26 -4.50 120.51 117.44 1jwd n ALA 2 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1jwd n ALA 2 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 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 1.96 -0.31 -0.09 0.00 7.64 -1.26 -0.74 113.62 120.82 1jwd n SER 3 Ca 0.00 1.67 -0.09 0.00 1.01 0.00 0.00 58.87 61.45 1jwd n SER 3 Cb 0.00 -0.52 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.42 0.06 1.43 0.11 -2.01 -0.47 132.00 131.55 1jwd h PRO 4 Ca 0.49 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.39 1jwd h PRO 4 Cb 0.79 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.83 1jwd h PRO 4 CO -0.99 0.36 -0.67 1.25 -0.21 0.00 0.00 178.00 177.75 1jwd h LEU 5 N 0.37 0.48 -0.60 2.35 5.85 -1.81 -3.29 115.31 118.66 1jwd h LEU 5 Ca 0.11 -0.85 0.12 0.00 0.84 0.00 0.00 57.88 58.10 1jwd h LEU 5 Cb 0.06 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 1jwd h LEU 5 CO -0.02 1.28 0.09 0.44 -0.34 0.00 0.00 178.44 179.90 1jwd h ASP 6 N -0.25 -0.07 -0.48 1.25 5.19 -0.84 0.10 116.42 121.32 1jwd h ASP 6 Ca -0.10 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1jwd h ASP 6 Cb 1.43 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 41.10 1jwd h ASP 6 CO 0.13 -0.03 0.22 0.06 -3.12 0.00 0.00 179.24 176.50 1jwd h GLN 7 N 0.22 0.76 0.15 3.56 3.07 -1.21 0.18 115.11 121.84 1jwd h GLN 7 Ca 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 58.65 58.94 1jwd h GLN 7 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1jwd h GLN 7 CO -0.43 0.62 -0.07 0.00 0.09 0.00 0.00 178.83 179.03 1jwd h ALA 8 N 1.49 -0.20 -0.83 0.06 0.00 -0.94 0.26 119.26 119.10 1jwd h ALA 8 Ca 0.18 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jwd h ALA 8 Cb 0.14 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1jwd h ALA 8 CO -0.02 -0.35 0.52 -0.84 0.00 0.00 0.00 179.25 178.57 1jwd h ILE 9 N -0.72 1.09 -0.76 0.00 3.07 -1.10 -0.42 117.51 118.66 1jwd h ILE 9 Ca -0.02 -0.34 0.17 0.00 1.55 0.00 0.00 64.86 66.22 1jwd h ILE 9 Cb 0.52 0.01 -0.12 0.00 -0.27 0.00 0.00 36.82 36.96 1jwd h ILE 9 CO 0.03 0.18 0.14 1.23 -1.05 0.00 0.00 178.15 178.68 1jwd h GLY 10 N 0.99 1.03 0.69 0.16 0.00 -0.51 -0.51 103.07 104.92 1jwd h GLY 10 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1jwd h GLY 10 CO -0.14 -0.25 -0.49 -2.00 0.00 0.00 0.00 176.54 173.66 1jwd h LEU 11 N 0.21 -1.28 -0.46 3.11 7.12 0.12 0.25 115.31 124.39 1jwd h LEU 11 Ca 0.43 0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.62 1jwd h LEU 11 Cb 0.78 0.40 -0.09 0.00 -0.53 0.00 0.00 40.66 41.21 1jwd h LEU 11 CO -0.57 -0.71 -0.14 -0.07 -0.13 0.00 0.00 178.44 176.82 1jwd h LEU 12 N -1.11 -0.49 -0.34 2.25 4.07 -1.06 0.85 115.31 119.48 1jwd h LEU 12 Ca -0.09 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1jwd h LEU 12 Cb 0.92 0.31 -0.02 0.00 1.08 0.00 0.00 40.66 42.95 1jwd h LEU 12 CO 0.03 -0.17 0.18 0.40 -1.08 0.00 0.00 178.44 177.80 1jwd h ILE 13 N -0.03 1.14 0.43 1.22 2.04 -0.86 0.06 117.51 121.52 1jwd h ILE 13 Ca 0.22 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1jwd h ILE 13 Cb 0.37 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1jwd h ILE 13 CO -0.49 0.14 -0.25 1.23 0.00 0.00 0.00 178.15 178.78 1jwd h GLY 14 N 0.42 -0.68 0.16 5.37 0.00 0.16 0.14 103.07 108.65 1jwd h GLY 14 Ca 0.12 0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.78 1jwd h GLY 14 CO -0.02 -0.25 -0.26 -2.22 0.00 0.00 0.00 176.54 173.79 1jwd h ILE 15 N -0.65 0.37 0.40 2.60 2.04 -0.70 0.11 117.51 121.69 1jwd h ILE 15 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1jwd h ILE 15 Cb 0.52 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1jwd h ILE 15 CO 0.06 0.00 -0.35 0.15 0.00 0.00 0.00 178.15 178.01 1jwd h PHE 16 N -0.28 -0.96 0.00 1.37 3.57 -0.80 -2.45 116.94 117.39 1jwd h PHE 16 Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1jwd h PHE 16 Cb 0.48 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1jwd h PHE 16 CO -0.39 -0.48 -0.17 1.25 -2.23 0.00 0.00 178.31 176.29 1jwd h HIS 17 N -0.74 0.00 -0.01 0.41 2.76 -0.58 -0.39 115.15 116.60 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 0.62 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 1jwd h HIS 17 CO -0.16 0.17 -0.01 -0.22 -1.30 0.00 0.00 177.93 176.41 1jwd h LYS 18 N 0.00 -0.01 -0.30 5.26 3.64 -0.74 0.19 116.57 124.60 1jwd h LYS 18 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jwd h LYS 18 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1jwd h LYS 18 CO 0.02 -0.01 0.19 1.88 -2.27 0.00 0.00 179.45 179.27 1jwd h TYR 19 N -0.01 0.39 -0.27 1.91 -1.99 -0.72 0.77 116.97 117.05 1jwd h TYR 19 Ca 0.01 0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.81 1jwd h TYR 19 Cb 0.03 -0.13 -0.08 0.00 2.00 0.00 0.00 36.73 38.55 1jwd h TYR 19 CO -0.10 0.26 -0.31 0.77 -0.00 0.00 0.00 178.16 178.79 1jwd h SER 20 N 0.40 -1.00 -1.00 3.88 0.02 -0.97 -2.04 113.55 112.85 1jwd h SER 20 Ca 0.11 0.17 0.14 0.00 -0.84 0.00 0.00 61.79 61.37 1jwd h SER 20 Cb -0.03 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 62.87 1jwd h SER 20 CO -0.02 -0.33 0.62 1.23 -1.14 0.00 0.00 176.83 177.19 1jwd h GLY 21 N -0.31 1.68 -0.36 -3.77 0.00 -0.15 0.11 103.07 100.27 1jwd h GLY 21 Ca 0.14 -0.40 0.31 0.00 0.00 0.00 0.00 47.33 47.38 1jwd h GLY 21 CO -0.44 0.07 0.71 1.70 0.00 0.00 0.00 176.54 178.58 1jwd h LYS 22 N 0.90 0.30 -0.01 4.80 3.64 -0.09 0.50 116.57 126.62 1jwd h LYS 22 Ca 0.52 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.85 1jwd h LYS 22 Cb 0.63 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.32 1jwd h LYS 22 CO -0.31 0.20 -0.59 -0.85 -2.27 0.00 0.00 179.45 175.63 1jwd n GLU 23 N -4.64 1.37 -3.18 1.90 0.28 -0.78 -4.99 120.64 110.59 1jwd n GLU 23 Ca 0.28 -3.12 -0.21 0.00 -0.16 0.00 0.00 57.16 53.96 1jwd n GLU 23 Cb 1.01 -1.38 -0.00 0.00 1.43 0.00 0.00 31.44 32.50 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 -0.87 -0.49 3.88 -1.84 0.00 0.17 -4.96 105.19 101.09 1jwd n GLY 24 Ca 0.17 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.58 6.23 0.14 1.61 2.15 0.31 -4.94 116.67 119.58 1jwd s ASP 25 Ca 0.32 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.54 1jwd s ASP 25 Cb -0.17 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1jwd s ASP 25 CO 0.39 -0.77 0.00 2.29 -0.17 0.00 0.00 175.17 176.91 1jwd n LYS 26 N -2.58 0.77 -0.97 4.34 2.85 -1.26 -4.34 118.16 116.97 1jwd n LYS 26 Ca 0.04 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.02 1jwd n LYS 26 Cb 0.54 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.90 1jwd n LYS 26 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jwd n HIS 27 N -0.59 1.74 -3.72 5.58 8.25 -1.26 -4.72 115.22 120.50 1jwd n HIS 27 Ca 0.00 -2.39 -0.10 0.00 -0.26 0.00 0.00 57.72 54.97 1jwd n HIS 27 Cb 0.00 -2.00 -0.04 0.00 1.12 0.00 0.00 29.99 29.08 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 2.82 0.02 0.06 1.59 -1.32 -1.26 -1.58 115.64 115.96 1jwd s THR 28 Ca 0.52 -0.73 0.04 0.00 -1.21 0.00 0.00 61.69 60.31 1jwd s THR 28 Cb 0.14 -1.56 -0.03 0.00 -1.51 0.00 0.00 72.50 69.55 1jwd s THR 28 CO -0.04 -0.10 -0.11 -0.76 -2.21 0.00 0.00 174.62 171.39 1jwd s LEU 29 N -2.87 2.26 0.67 9.08 1.43 0.42 -4.56 118.68 125.12 1jwd s LEU 29 Ca 0.09 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1jwd s LEU 29 Cb -0.01 -0.36 0.12 0.00 0.03 0.00 0.00 46.19 45.96 1jwd s LEU 29 CO -0.03 -0.13 0.92 -0.94 0.23 0.00 0.00 176.35 176.41 1jwd s SER 30 N -1.64 4.60 0.01 2.29 1.04 -1.26 -0.32 113.70 118.41 1jwd s SER 30 Ca -0.05 -0.61 -0.07 0.00 0.48 0.00 0.00 55.95 55.70 1jwd s SER 30 Cb -0.10 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 1jwd s SER 30 CO 0.01 -1.69 1.08 0.11 0.98 0.00 0.00 173.24 173.73 1jwd h LYS 31 N -0.27 -0.24 -0.47 4.02 1.57 -1.95 0.15 116.57 119.38 1jwd h LYS 31 Ca -0.33 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1jwd h LYS 31 Cb 1.27 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 1jwd h LYS 31 CO 0.39 -0.16 0.11 -0.22 -0.57 0.00 0.00 179.45 179.00 1jwd h LYS 32 N -0.25 0.71 -0.23 3.15 3.64 -1.97 -0.21 116.57 121.40 1jwd h LYS 32 Ca -0.03 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1jwd h LYS 32 Cb 0.19 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1jwd h LYS 32 CO 0.04 0.65 0.02 1.49 -2.27 0.00 0.00 179.45 179.37 1jwd h GLU 33 N 0.68 0.09 -0.17 1.90 4.81 -1.96 0.17 114.58 120.11 1jwd h GLU 33 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1jwd h GLU 33 Cb 0.27 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1jwd h GLU 33 CO -0.00 0.06 0.11 1.25 -0.73 0.00 0.00 179.01 179.69 1jwd h LEU 34 N 0.09 0.18 -0.83 1.64 7.12 0.02 0.80 115.31 124.33 1jwd h LEU 34 Ca 0.11 -0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.20 1jwd h LEU 34 Cb 0.13 -0.04 -0.07 0.00 -0.53 0.00 0.00 40.66 40.14 1jwd h LEU 34 CO -0.17 0.13 0.49 0.50 -0.13 0.00 0.00 178.44 179.26 1jwd h LYS 35 N 0.22 0.81 -0.73 1.25 3.64 -0.51 0.37 116.57 121.63 1jwd h LYS 35 Ca 0.06 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1jwd h LYS 35 Cb -0.02 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1jwd h LYS 35 CO -0.02 0.54 0.32 1.49 -2.27 0.00 0.00 179.45 179.50 1jwd h GLU 36 N 0.84 1.05 0.09 1.90 4.81 -0.10 0.16 114.58 123.34 1jwd h GLU 36 Ca 0.39 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1jwd h GLU 36 Cb 0.32 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1jwd h GLU 36 CO -0.23 0.83 -0.25 1.25 -0.73 0.00 0.00 179.01 179.89 1jwd h LEU 37 N 1.04 -0.71 -0.25 1.64 6.46 0.51 -2.04 115.31 121.96 1jwd h LEU 37 Ca 0.25 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1jwd h LEU 37 Cb 0.15 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1jwd h LEU 37 CO -0.03 -0.33 0.11 0.40 -0.62 0.00 0.00 178.44 177.97 1jwd h ILE 38 N -0.44 1.16 -0.97 4.05 2.04 -0.19 0.90 117.51 124.05 1jwd h ILE 38 Ca 0.04 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1jwd h ILE 38 Cb 0.48 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1jwd h ILE 38 CO -0.16 0.16 0.63 1.56 0.00 0.00 0.00 178.15 180.34 1jwd h GLN 39 N 0.27 1.17 0.30 2.37 1.08 -0.70 0.33 115.11 119.94 1jwd h GLN 39 Ca 0.09 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1jwd h GLN 39 Cb 0.15 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1jwd h GLN 39 CO -0.01 0.78 -0.15 -0.22 -0.95 0.00 0.00 178.83 178.28 1jwd h LYS 40 N 1.21 -0.39 -0.01 1.46 3.11 -0.99 -3.23 116.57 117.72 1jwd h LYS 40 Ca 0.39 0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 58.17 1jwd h LYS 40 Cb 0.04 0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1jwd h LYS 40 CO -0.13 -0.07 -0.34 1.49 -2.81 0.00 0.00 179.45 177.59 1jwd h GLU 41 N -0.77 0.26 -2.62 1.90 4.57 -0.56 -3.37 114.58 113.99 1jwd h GLU 41 Ca -0.04 -0.26 -0.65 0.00 -1.18 0.00 0.00 59.36 57.23 1jwd h GLU 41 Cb 0.51 0.07 -0.39 0.00 -0.16 0.00 0.00 28.75 28.78 1jwd h GLU 41 CO 0.07 0.95 -0.29 1.28 -1.18 0.00 0.00 179.01 179.84 1jwd n LEU 42 N -4.43 4.14 -3.52 1.64 4.77 0.11 -5.00 117.00 114.72 1jwd n LEU 42 Ca -0.10 -5.33 -0.38 0.00 -0.03 0.00 0.00 56.01 50.17 1jwd n LEU 42 Cb 0.54 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1jwd n LEU 42 CO 0.41 1.88 2.68 0.41 -1.33 0.00 0.00 177.39 181.44 1jwd n THR 43 N 1.32 3.12 -1.70 -5.08 -1.04 -1.22 -4.48 114.28 105.20 1jwd n THR 43 Ca 0.26 -2.33 -0.43 0.00 -2.04 0.00 0.00 64.05 59.52 1jwd n THR 43 Cb 0.38 -2.47 -0.03 0.00 -1.82 0.00 0.00 70.33 66.39 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 4.80 0.23 0.20 12.58 -0.00 -1.26 -4.88 119.36 131.04 1jwd n ILE 44 Ca 0.57 -0.04 0.04 0.00 -0.00 0.00 0.00 62.75 63.32 1jwd n ILE 44 Cb 0.31 -2.05 0.45 0.00 -0.00 0.00 0.00 39.64 38.36 1jwd n ILE 44 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 1jwd h GLY 45 N 7.85 0.03 -6.40 3.28 0.00 -2.01 -3.36 103.07 102.46 1jwd h GLY 45 Ca -0.45 -0.02 -0.66 0.00 0.00 0.00 0.00 47.33 46.20 1jwd h GLY 45 CO 0.95 0.02 2.48 -1.26 0.00 0.00 0.00 176.54 178.72 1jwd n SER 46 N -4.25 2.90 0.32 0.19 2.88 -1.26 -4.69 113.62 109.70 1jwd n SER 46 Ca -0.02 -2.72 0.22 0.00 -1.33 0.00 0.00 58.87 55.01 1jwd n SER 46 Cb 0.29 -1.27 1.16 0.00 -0.75 0.00 0.00 64.21 63.64 1jwd n SER 46 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jwd h LYS 47 N 7.46 0.00 -0.90 -1.46 1.79 -2.00 0.29 116.57 121.75 1jwd h LYS 47 Ca 0.46 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 59.16 1jwd h LYS 47 Cb 0.67 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.27 1jwd h LYS 47 CO 1.92 0.00 0.63 -0.07 -1.08 0.00 0.00 179.45 180.85 1jwd h LEU 48 N 0.00 0.18 -0.62 2.94 3.38 -1.95 0.89 115.31 120.13 1jwd h LEU 48 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jwd h LEU 48 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jwd h LEU 48 CO 0.00 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1jwd n GLN 49 N -4.39 1.39 -0.30 1.13 6.02 0.09 -4.12 117.38 117.20 1jwd n GLN 49 Ca 0.19 -0.59 0.13 0.00 -0.01 0.00 0.00 57.00 56.72 1jwd n GLN 49 Cb 0.86 -1.13 0.30 0.00 1.02 0.00 0.00 30.24 31.28 1jwd n GLN 49 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1jwd h ASP 50 N 0.96 0.21 -0.62 1.08 2.03 -0.98 0.28 116.42 119.38 1jwd h ASP 50 Ca 0.00 0.17 0.13 0.00 -0.73 0.00 0.00 57.03 56.60 1jwd h ASP 50 Cb 0.23 0.18 -0.11 0.00 -0.83 0.00 0.00 39.33 38.80 1jwd h ASP 50 CO 0.00 -0.06 -0.05 0.00 -1.03 0.00 0.00 179.24 178.10 1jwd h ALA 51 N 1.73 0.55 -0.52 4.15 0.00 -1.82 0.16 119.26 123.50 1jwd h ALA 51 Ca 0.55 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.61 1jwd h ALA 51 Cb 1.07 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1jwd h ALA 51 CO -0.57 -0.41 0.09 0.93 0.00 0.00 0.00 179.25 179.29 1jwd h GLU 52 N 0.07 0.86 -0.33 0.00 5.08 -0.83 -0.55 114.58 118.89 1jwd h GLU 52 Ca 0.32 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1jwd h GLU 52 Cb 0.51 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1jwd h GLU 52 CO -0.57 0.84 0.14 0.82 -1.00 0.00 0.00 179.01 179.25 1jwd h ILE 53 N 0.75 0.95 -0.39 3.13 1.08 0.16 0.11 117.51 123.30 1jwd h ILE 53 Ca 0.16 -0.10 -0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1jwd h ILE 53 Cb 0.39 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1jwd h ILE 53 CO 0.01 0.05 -0.15 -0.37 -0.69 0.00 0.00 178.15 177.00 1jwd h VAL 54 N 0.30 1.26 0.08 1.67 -1.51 -0.47 0.22 116.25 117.79 1jwd h VAL 54 Ca 0.14 -1.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1jwd h VAL 54 Cb 0.09 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1jwd h VAL 54 CO -0.12 0.40 -0.08 0.50 -1.23 0.00 0.00 177.57 177.03 1jwd h LYS 55 N 0.64 -0.18 -0.62 5.19 1.63 -0.74 0.11 116.57 122.59 1jwd h LYS 55 Ca 0.10 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.00 1jwd h LYS 55 Cb 0.61 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.22 1jwd h LYS 55 CO 0.04 -0.12 0.27 1.25 -3.45 0.00 0.00 179.45 177.44 1jwd h LEU 56 N -0.19 0.32 -0.24 5.20 6.46 -0.49 0.64 115.31 127.02 1jwd h LEU 56 Ca 0.01 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1jwd h LEU 56 Cb 0.18 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1jwd h LEU 56 CO -0.03 0.19 0.16 -0.03 -0.62 0.00 0.00 178.44 178.11 1jwd h MET 57 N 0.48 0.32 -0.10 1.25 4.05 -0.27 0.99 114.93 121.65 1jwd h MET 57 Ca 0.31 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.75 1jwd h MET 57 Cb 0.34 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.02 1jwd h MET 57 CO -0.27 0.22 -0.20 0.22 0.23 0.00 0.00 176.91 177.11 1jwd h ASP 58 N 0.32 -0.61 -0.39 1.39 3.58 -0.12 -0.43 116.42 120.17 1jwd h ASP 58 Ca 0.09 0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.71 1jwd h ASP 58 Cb -0.03 0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.23 1jwd h ASP 58 CO -0.02 -0.25 -0.02 0.44 -2.88 0.00 0.00 179.24 176.51 1jwd h ASP 59 N -0.27 -0.21 0.10 2.28 3.32 -0.39 0.28 116.42 121.53 1jwd h ASP 59 Ca 0.09 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1jwd h ASP 59 Cb 0.40 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1jwd h ASP 59 CO -0.25 -0.07 -0.49 -0.07 -1.72 0.00 0.00 179.24 176.64 1jwd h LEU 60 N 0.08 -1.47 -0.81 1.55 3.38 -0.33 -3.10 115.31 114.61 1jwd h LEU 60 Ca 0.19 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 1jwd h LEU 60 Cb 0.28 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1jwd h LEU 60 CO -0.34 -0.51 -0.33 -2.24 0.09 0.00 0.00 178.44 175.11 1jwd h ASP 61 N -0.68 0.00 -0.87 -0.43 3.04 -0.54 -3.23 116.42 113.71 1jwd h ASP 61 Ca -0.00 0.00 0.17 0.00 -3.24 0.00 0.00 57.03 53.95 1jwd h ASP 61 Cb 0.69 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.92 1jwd h ASP 61 CO -0.27 0.33 0.57 -0.09 -2.04 0.00 0.00 179.24 177.74 1jwd h ARG 62 N 0.00 0.53 -1.08 4.15 9.65 -0.38 0.66 114.38 127.91 1jwd h ARG 62 Ca -0.00 -0.03 0.34 0.00 -1.10 0.00 0.00 59.98 59.18 1jwd h ARG 62 Cb 0.93 -0.12 -0.14 0.00 -1.39 0.00 0.00 29.97 29.26 1jwd h ARG 62 CO 0.04 0.35 0.65 -0.91 2.80 0.00 0.00 179.97 182.90 1jwd h ASN 63 N 0.55 0.45 -1.59 -3.80 2.35 -1.66 0.27 115.58 112.14 1jwd h ASN 63 Ca 0.44 0.16 -0.49 0.00 -0.55 0.00 0.00 56.30 55.87 1jwd h ASN 63 Cb 0.90 0.12 -0.41 0.00 0.05 0.00 0.00 38.32 38.98 1jwd h ASN 63 CO -0.19 -0.12 -0.97 1.17 -1.65 0.00 0.00 177.43 175.67 1jwd n LYS 64 N -4.91 2.10 0.00 0.81 3.00 0.13 -5.03 118.16 114.26 1jwd n LYS 64 Ca 0.32 -3.91 0.00 0.00 -0.00 0.00 0.00 58.31 54.72 1jwd n LYS 64 Cb 1.07 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 34.30 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 -0.13 0.00 0.00 3.14 5.68 0.08 -2.68 116.55 122.64 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 0.66 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1jwd n ASP 65 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1jwd n GLN 66 N -0.87 0.00 -4.35 0.11 -0.06 -1.14 -4.77 117.38 106.30 1jwd n GLN 66 Ca 0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.69 1jwd n GLN 66 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 1jwd n GLN 66 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1jwd s GLU 67 N -0.99 2.48 -0.18 3.69 8.01 -1.09 -3.92 118.70 126.70 1jwd s GLU 67 Ca 0.00 -0.80 -0.17 0.00 0.01 0.00 0.00 54.97 54.02 1jwd s GLU 67 Cb 0.00 -2.48 -0.04 0.00 -4.31 0.00 0.00 34.13 27.30 1jwd s GLU 67 CO 0.00 0.57 0.43 0.54 0.01 0.00 0.00 175.26 176.81 1jwd s VAL 68 N -1.10 5.19 0.47 2.63 0.11 0.56 -3.67 120.40 124.59 1jwd s VAL 68 Ca 0.20 0.79 -0.04 0.00 -2.93 0.00 0.00 61.98 59.99 1jwd s VAL 68 Cb -0.11 -3.76 -0.03 0.00 -1.53 0.00 0.00 36.38 30.95 1jwd s VAL 68 CO 0.11 0.26 0.76 0.20 -3.33 0.00 0.00 175.10 173.10 1jwd s ASN 69 N 0.93 6.23 0.11 3.54 0.02 -1.26 -0.43 114.94 124.08 1jwd s ASN 69 Ca 0.21 0.85 -0.27 0.00 -1.02 0.00 0.00 52.86 52.64 1jwd s ASN 69 Cb -0.15 -2.19 -0.09 0.00 0.02 0.00 0.00 41.25 38.85 1jwd s ASN 69 CO 0.08 -0.57 1.45 0.15 0.02 0.00 0.00 177.10 178.23 1jwd h PHE 70 N 0.27 -1.44 -0.22 2.20 3.57 -1.66 0.80 116.94 120.46 1jwd h PHE 70 Ca -0.47 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 1jwd h PHE 70 Cb 1.21 0.68 -0.01 0.00 2.79 0.00 0.00 35.95 40.62 1jwd h PHE 70 CO 0.57 -0.39 -0.05 0.37 -2.23 0.00 0.00 178.31 176.58 1jwd h GLN 71 N -0.27 0.34 -0.38 1.11 4.15 -1.95 -0.66 115.11 117.45 1jwd h GLN 71 Ca 0.07 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1jwd h GLN 71 Cb 0.46 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1jwd h GLN 71 CO -0.54 0.41 0.19 0.93 -1.93 0.00 0.00 178.83 177.89 1jwd h GLU 72 N 0.32 0.54 -0.13 1.69 5.08 -1.64 0.13 114.58 120.58 1jwd h GLU 72 Ca 0.07 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1jwd h GLU 72 Cb 0.31 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1jwd h GLU 72 CO 0.01 0.47 -0.16 -0.92 -1.00 0.00 0.00 179.01 177.41 1jwd h TYR 73 N 0.48 -0.42 -0.02 4.33 3.20 0.04 0.16 116.97 124.73 1jwd h TYR 73 Ca 0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1jwd h TYR 73 Cb 0.10 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1jwd h TYR 73 CO -0.02 -0.23 -0.08 0.82 -1.64 0.00 0.00 178.16 177.00 1jwd h ILE 74 N -0.20 0.78 -0.44 1.81 1.08 -0.80 0.75 117.51 120.48 1jwd h ILE 74 Ca 0.09 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.64 1jwd h ILE 74 Cb 0.34 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 1jwd h ILE 74 CO -0.25 0.00 0.07 0.74 -0.69 0.00 0.00 178.15 178.02 1jwd h THR 75 N -0.14 0.74 -0.50 -0.27 2.02 -0.49 0.49 112.91 114.77 1jwd h THR 75 Ca 0.04 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1jwd h THR 75 Cb 0.19 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1jwd h THR 75 CO -0.10 0.04 0.30 0.15 0.37 0.00 0.00 175.52 176.28 1jwd h PHE 76 N 0.20 0.66 -0.66 3.16 3.04 -0.33 0.01 116.94 123.01 1jwd h PHE 76 Ca 0.22 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.25 1jwd h PHE 76 Cb 0.28 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 1jwd h PHE 76 CO -0.23 0.46 0.44 -0.07 -2.02 0.00 0.00 178.31 176.89 1jwd h LEU 77 N 0.67 0.51 0.05 0.59 3.38 0.17 0.31 115.31 120.98 1jwd h LEU 77 Ca 0.18 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1jwd h LEU 77 Cb -0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1jwd h LEU 77 CO -0.03 0.31 -0.13 1.23 0.09 0.00 0.00 178.44 179.91 1jwd h GLY 78 N 0.57 -0.20 0.56 0.83 0.00 0.69 0.17 103.07 105.69 1jwd h GLY 78 Ca 0.30 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.85 1jwd h GLY 78 CO -0.10 -0.13 0.32 0.00 0.00 0.00 0.00 176.54 176.63 1jwd h ALA 79 N 0.68 0.86 -0.56 3.60 0.00 0.64 -0.02 119.26 124.45 1jwd h ALA 79 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jwd h ALA 79 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jwd h ALA 79 CO -0.09 -0.05 0.34 1.25 0.00 0.00 0.00 179.25 180.70 1jwd h LEU 80 N 0.57 0.57 -0.56 0.00 5.85 -0.16 0.12 115.31 121.70 1jwd h LEU 80 Ca 0.30 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.05 1jwd h LEU 80 Cb 0.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1jwd h LEU 80 CO -0.23 0.40 0.34 0.00 -0.34 0.00 0.00 178.44 178.61 1jwd h ALA 81 N 1.24 0.72 -0.49 1.25 0.00 -0.01 0.15 119.26 122.12 1jwd h ALA 81 Ca 0.22 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1jwd h ALA 81 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1jwd h ALA 81 CO -0.09 0.06 0.30 0.52 0.00 0.00 0.00 179.25 180.05 1jwd h MET 82 N 0.67 0.59 -0.55 0.00 2.86 -0.15 -2.64 114.93 115.70 1jwd h MET 82 Ca 0.22 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1jwd h MET 82 Cb 0.02 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 1jwd h MET 82 CO -0.10 0.39 0.33 0.82 1.06 0.00 0.00 176.91 179.41 1jwd h ILE 83 N 0.60 1.05 0.00 -1.22 2.04 -0.21 -2.24 117.51 117.54 1jwd h ILE 83 Ca 0.19 -0.22 -0.25 0.00 1.00 0.00 0.00 64.86 65.58 1jwd h ILE 83 Cb -0.00 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1jwd h ILE 83 CO -0.08 0.12 1.11 -1.22 0.00 0.00 0.00 178.15 178.08 1jwd n TYR 84 N -4.78 0.64 0.10 1.37 4.01 0.46 -4.69 117.16 114.26 1jwd n TYR 84 Ca 0.05 -1.47 0.12 0.00 -0.16 0.00 0.00 57.90 56.44 1jwd n TYR 84 Cb 0.09 -1.45 0.62 0.00 -0.31 0.00 0.00 39.34 38.28 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 4.84 0.10 -0.88 7.72 -0.73 -1.46 0.20 115.58 125.37 1jwd h ASN 85 Ca 0.31 0.00 0.23 0.00 1.87 0.00 0.00 56.30 58.71 1jwd h ASN 85 Cb 0.67 -0.02 -0.14 0.00 0.27 0.00 0.00 38.32 39.10 1jwd h ASN 85 CO 0.80 0.07 0.29 -0.33 -0.37 0.00 0.00 177.43 177.89 1jwd h GLU 86 N 0.12 0.26 -0.86 6.67 3.07 -1.88 0.24 114.58 122.20 1jwd h GLU 86 Ca 0.14 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1jwd h GLU 86 Cb 0.42 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 1jwd h GLU 86 CO -0.02 0.17 0.44 0.00 -1.40 0.00 0.00 179.01 178.21 1jwd h ALA 87 N 1.76 1.10 -0.44 3.43 0.00 -0.91 0.90 119.26 125.10 1jwd h ALA 87 Ca 0.56 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 55.19 1jwd h ALA 87 Cb 1.12 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1jwd h ALA 87 CO -0.61 0.64 -0.26 -0.07 0.00 0.00 0.00 179.25 178.94 1jwd h LEU 88 N 1.21 0.99 -0.73 0.00 3.38 -0.70 -2.52 115.31 116.95 1jwd h LEU 88 Ca 0.30 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1jwd h LEU 88 Cb 0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1jwd h LEU 88 CO -0.04 1.19 0.46 0.11 0.09 0.00 0.00 178.44 180.25 1jwd h LYS 89 N 0.79 0.87 0.00 1.13 1.57 -0.57 -3.52 116.57 116.85 1jwd h LYS 89 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1jwd h LYS 89 Cb 0.84 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1jwd h LYS 89 CO 0.07 0.58 0.00 0.41 -0.57 0.00 0.00 179.45 179.94