#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 -0.33 -5.12 0.00 -1.26 -5.01 120.51 108.79 1jwd n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jwd n ALA 2 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 -1.15 -0.30 0.00 0.02 -2.05 -1.10 113.55 108.98 1jwd h SER 3 Ca 0.00 0.28 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 1jwd h SER 3 Cb 0.00 0.65 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 1jwd h SER 3 CO 0.00 -0.30 -0.10 -0.65 -1.14 0.00 0.00 176.83 174.64 1jwd h PRO 4 N -0.03 -0.04 -0.11 3.45 0.11 -2.00 0.12 132.00 133.50 1jwd h PRO 4 Ca 0.36 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.38 1jwd h PRO 4 Cb 0.62 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1jwd h PRO 4 CO -0.92 -0.03 -0.31 1.25 -0.21 0.00 0.00 178.00 177.79 1jwd h LEU 5 N -0.04 0.47 -0.51 2.35 5.85 -1.86 -2.97 115.31 118.59 1jwd h LEU 5 Ca 0.15 -0.59 0.09 0.00 0.84 0.00 0.00 57.88 58.37 1jwd h LEU 5 Cb 0.27 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1jwd h LEU 5 CO -0.33 0.97 0.08 0.44 -0.34 0.00 0.00 178.44 179.26 1jwd h ASP 6 N -0.02 -0.05 -0.69 1.25 3.32 -0.69 0.66 116.42 120.19 1jwd h ASP 6 Ca -0.01 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1jwd h ASP 6 Cb 0.92 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1jwd h ASP 6 CO 0.07 0.00 0.19 0.06 -1.72 0.00 0.00 179.24 177.84 1jwd h GLN 7 N 0.21 1.11 0.27 3.56 3.07 -0.85 0.17 115.11 122.64 1jwd h GLN 7 Ca 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1jwd h GLN 7 Cb 0.36 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1jwd h GLN 7 CO -0.36 0.96 -0.13 0.00 0.09 0.00 0.00 178.83 179.40 1jwd h ALA 8 N 1.14 -0.36 -0.35 0.06 0.00 -0.97 0.29 119.26 119.07 1jwd h ALA 8 Ca 0.22 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jwd h ALA 8 Cb 0.34 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1jwd h ALA 8 CO -0.00 -0.61 0.16 -0.84 0.00 0.00 0.00 179.25 177.96 1jwd h ILE 9 N -0.55 0.95 -0.95 0.00 3.07 -0.91 -1.27 117.51 117.85 1jwd h ILE 9 Ca -0.04 -0.11 0.29 0.00 1.55 0.00 0.00 64.86 66.55 1jwd h ILE 9 Cb 0.40 0.59 -0.16 0.00 -0.27 0.00 0.00 36.82 37.38 1jwd h ILE 9 CO 0.06 0.06 0.22 1.23 -1.05 0.00 0.00 178.15 178.67 1jwd h GLY 10 N 0.33 1.51 0.62 0.16 0.00 -0.42 0.13 103.07 105.39 1jwd h GLY 10 Ca 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1jwd h GLY 10 CO -0.13 -0.51 -0.45 -2.00 0.00 0.00 0.00 176.54 173.45 1jwd h LEU 11 N 0.10 -1.19 -0.50 3.11 7.12 0.79 0.24 115.31 124.98 1jwd h LEU 11 Ca 0.63 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.81 1jwd h LEU 11 Cb 1.38 0.36 -0.07 0.00 -0.53 0.00 0.00 40.66 41.80 1jwd h LEU 11 CO -0.78 -0.65 0.06 -0.07 -0.13 0.00 0.00 178.44 176.87 1jwd h LEU 12 N -1.03 -0.07 -0.21 2.25 4.07 -1.19 0.26 115.31 119.39 1jwd h LEU 12 Ca -0.08 0.10 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1jwd h LEU 12 Cb 0.85 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1jwd h LEU 12 CO 0.03 -0.01 0.12 0.40 -1.08 0.00 0.00 178.44 177.91 1jwd h ILE 13 N 0.19 1.03 0.24 1.22 5.03 -0.73 0.02 117.51 124.51 1jwd h ILE 13 Ca 0.25 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.89 1jwd h ILE 13 Cb 0.36 0.75 0.00 0.00 -3.03 0.00 0.00 36.82 34.90 1jwd h ILE 13 CO -0.36 0.05 -0.12 1.23 -0.68 0.00 0.00 178.15 178.27 1jwd h GLY 14 N 0.26 -0.34 -0.35 5.37 0.00 -0.09 0.41 103.07 108.33 1jwd h GLY 14 Ca 0.08 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.63 1jwd h GLY 14 CO -0.03 -0.12 -0.36 -2.22 0.00 0.00 0.00 176.54 173.81 1jwd h ILE 15 N -0.39 0.17 0.61 2.60 2.04 -0.77 0.71 117.51 122.48 1jwd h ILE 15 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1jwd h ILE 15 Cb 0.30 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1jwd h ILE 15 CO 0.05 0.00 -0.36 0.15 0.00 0.00 0.00 178.15 177.99 1jwd h PHE 16 N -0.21 -0.96 0.00 1.37 3.57 -0.72 -2.74 116.94 117.25 1jwd h PHE 16 Ca 0.20 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1jwd h PHE 16 Cb 0.55 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1jwd h PHE 16 CO -0.62 -0.55 -0.21 0.45 -2.23 0.00 0.00 178.31 175.16 1jwd h HIS 17 N -0.91 0.00 0.28 0.41 3.86 -0.66 0.18 115.15 118.31 1jwd h HIS 17 Ca -0.08 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1jwd h HIS 17 Cb 0.72 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 1jwd h HIS 17 CO -0.03 0.21 -0.16 -0.22 0.86 0.00 0.00 177.93 178.58 1jwd h LYS 18 N 0.00 -0.41 -0.49 2.45 3.64 -0.86 0.24 116.57 121.14 1jwd h LYS 18 Ca -0.00 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1jwd h LYS 18 Cb 0.49 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1jwd h LYS 18 CO 0.03 -0.27 -0.08 1.88 -2.27 0.00 0.00 179.45 178.73 1jwd h TYR 19 N -0.42 1.04 0.47 1.91 -1.99 -0.78 -0.33 116.97 116.86 1jwd h TYR 19 Ca -0.03 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.48 1jwd h TYR 19 Cb 0.35 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 1jwd h TYR 19 CO -0.08 0.99 -0.44 0.77 -0.00 0.00 0.00 178.16 179.39 1jwd h SER 20 N 0.79 -1.19 -0.95 3.88 0.02 -0.73 -2.98 113.55 112.38 1jwd h SER 20 Ca 0.13 0.09 0.29 0.00 -0.84 0.00 0.00 61.79 61.46 1jwd h SER 20 Cb 0.63 0.39 -0.17 0.00 0.14 0.00 0.00 62.40 63.39 1jwd h SER 20 CO 0.04 -0.61 0.19 1.23 -1.14 0.00 0.00 176.83 176.54 1jwd h GLY 21 N -0.92 1.46 -0.26 -3.77 0.00 -0.22 0.40 103.07 99.77 1jwd h GLY 21 Ca -0.05 0.04 0.28 0.00 0.00 0.00 0.00 47.33 47.60 1jwd h GLY 21 CO -0.05 -0.52 0.67 1.70 0.00 0.00 0.00 176.54 178.35 1jwd h LYS 22 N 0.07 0.38 0.00 4.80 3.64 -0.90 -2.21 116.57 122.35 1jwd h LYS 22 Ca 0.63 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.84 1jwd h LYS 22 Cb 1.37 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1jwd h LYS 22 CO -0.81 0.25 -1.93 -0.85 -2.27 0.00 0.00 179.45 173.84 1jwd n GLU 23 N -4.70 0.98 0.00 1.90 -0.00 0.68 -5.06 120.64 114.44 1jwd n GLU 23 Ca 0.27 -0.08 0.00 0.00 -0.00 0.00 0.00 57.16 57.35 1jwd n GLU 23 Cb 0.92 -1.40 0.00 0.00 -0.00 0.00 0.00 31.44 30.95 1jwd n GLU 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jwd n GLY 24 N 1.78 2.98 2.87 -1.84 0.00 0.11 -5.05 105.19 106.04 1jwd n GLY 24 Ca -0.15 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 3.57 -4.60 1.61 2.03 -1.26 -3.45 116.55 114.45 1jwd n ASP 25 Ca 0.00 -2.72 -0.24 0.00 0.52 0.00 0.00 54.79 52.35 1jwd n ASP 25 Cb 0.00 -1.37 -0.08 0.00 -0.72 0.00 0.00 41.12 38.95 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 3.98 2.13 -0.05 -0.67 -2.85 -1.26 -4.95 119.74 116.07 1jwd s LYS 26 Ca 0.52 -1.48 -0.02 0.00 -1.00 0.00 0.00 55.97 53.99 1jwd s LYS 26 Cb 0.14 -2.07 -0.07 0.00 -2.06 0.00 0.00 37.83 33.77 1jwd s LYS 26 CO 0.01 0.37 2.59 0.72 0.10 0.00 0.00 175.35 179.13 1jwd n HIS 27 N -0.73 0.22 -4.13 1.78 8.25 -1.26 -4.74 115.22 114.61 1jwd n HIS 27 Ca -0.07 -1.30 -0.09 0.00 -0.26 0.00 0.00 57.72 56.01 1jwd n HIS 27 Cb 0.59 -0.95 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 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 0.02 0.30 -0.13 1.59 -4.23 -1.26 -0.85 115.64 111.07 1jwd s THR 28 Ca 0.28 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 58.86 1jwd s THR 28 Cb 0.15 -1.72 0.06 0.00 1.34 0.00 0.00 72.50 72.33 1jwd s THR 28 CO -0.01 -0.81 0.30 -0.22 -0.54 0.00 0.00 174.62 173.34 1jwd s LEU 29 N -2.99 -0.01 0.91 4.79 0.20 0.37 -4.55 118.68 117.40 1jwd s LEU 29 Ca 0.13 0.66 -0.14 0.00 0.69 0.00 0.00 54.13 55.47 1jwd s LEU 29 Cb 0.07 0.90 0.16 0.00 -0.43 0.00 0.00 46.19 46.89 1jwd s LEU 29 CO -0.05 -0.20 1.25 -0.44 -0.29 0.00 0.00 176.35 176.62 1jwd s SER 30 N 1.79 3.56 0.02 3.68 0.01 -1.26 -0.48 113.70 121.01 1jwd s SER 30 Ca -0.05 0.51 -0.11 0.00 1.31 0.00 0.00 55.95 57.60 1jwd s SER 30 Cb -0.11 -0.75 -0.06 0.00 0.21 0.00 0.00 66.02 65.31 1jwd s SER 30 CO -0.10 -2.48 1.15 0.11 0.41 0.00 0.00 173.24 172.34 1jwd h LYS 31 N -1.46 -0.39 0.00 12.44 1.57 -1.86 0.23 116.57 127.10 1jwd h LYS 31 Ca -0.45 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.26 1jwd h LYS 31 Cb 1.28 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1jwd h LYS 31 CO 0.49 -0.26 -0.46 -0.22 -0.57 0.00 0.00 179.45 178.43 1jwd h LYS 32 N -0.41 0.00 -0.48 3.15 3.64 -1.95 -0.86 116.57 119.65 1jwd h LYS 32 Ca -0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1jwd h LYS 32 Cb 0.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1jwd h LYS 32 CO 0.07 0.46 0.27 1.49 -2.27 0.00 0.00 179.45 179.47 1jwd h GLU 33 N 0.00 0.52 -0.16 1.90 4.57 -1.93 0.19 114.58 119.67 1jwd h GLU 33 Ca -0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1jwd h GLU 33 Cb 0.94 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1jwd h GLU 33 CO 0.06 0.35 0.10 1.25 -1.18 0.00 0.00 179.01 179.58 1jwd h LEU 34 N 0.54 0.20 -0.70 1.64 7.12 0.11 0.30 115.31 124.52 1jwd h LEU 34 Ca 0.20 -0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.24 1jwd h LEU 34 Cb 0.06 -0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.07 1jwd h LEU 34 CO -0.11 0.19 0.37 0.50 -0.13 0.00 0.00 178.44 179.26 1jwd h LYS 35 N 0.19 0.63 -0.30 1.25 3.64 -0.60 -0.00 116.57 121.37 1jwd h LYS 35 Ca 0.06 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1jwd h LYS 35 Cb 0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1jwd h LYS 35 CO -0.01 0.42 0.10 1.49 -2.27 0.00 0.00 179.45 179.17 1jwd h GLU 36 N 0.65 0.22 -0.45 1.90 4.81 -0.26 0.62 114.58 122.07 1jwd h GLU 36 Ca 0.33 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 1jwd h GLU 36 Cb 0.29 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.52 1jwd h GLU 36 CO -0.23 0.15 -0.31 1.25 -0.73 0.00 0.00 179.01 179.14 1jwd h LEU 37 N 0.23 -1.04 0.02 1.64 6.46 0.11 0.11 115.31 122.84 1jwd h LEU 37 Ca 0.13 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1jwd h LEU 37 Cb 0.11 0.50 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1jwd h LEU 37 CO -0.14 -0.30 -0.01 0.40 -0.62 0.00 0.00 178.44 177.76 1jwd h ILE 38 N -0.21 1.00 -0.18 4.05 2.04 -0.22 0.11 117.51 124.10 1jwd h ILE 38 Ca 0.19 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1jwd h ILE 38 Cb 0.53 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1jwd h ILE 38 CO -0.57 0.02 0.06 1.56 0.00 0.00 0.00 178.15 179.22 1jwd h GLN 39 N -0.05 0.25 0.17 2.37 1.08 -0.45 0.30 115.11 118.77 1jwd h GLN 39 Ca -0.00 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1jwd h GLN 39 Cb 0.05 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1jwd h GLN 39 CO 0.00 0.22 -0.08 -0.22 -0.95 0.00 0.00 178.83 177.80 1jwd h LYS 40 N 0.25 -0.22 0.07 1.46 1.63 -0.25 -2.98 116.57 116.53 1jwd h LYS 40 Ca 0.06 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.77 1jwd h LYS 40 Cb 0.07 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1jwd h LYS 40 CO -0.01 0.20 -0.49 0.93 -3.45 0.00 0.00 179.45 176.63 1jwd h GLU 41 N -0.87 0.15 0.00 1.90 3.07 -0.64 -3.39 114.58 114.80 1jwd h GLU 41 Ca -0.02 -0.26 -0.13 0.00 -0.50 0.00 0.00 59.36 58.44 1jwd h GLU 41 Cb 0.52 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 1jwd h GLU 41 CO 0.04 1.13 -0.72 -0.07 -1.40 0.00 0.00 179.01 177.98 1jwd h LEU 42 N -0.67 0.00 -2.51 1.33 -0.00 -0.63 -3.50 115.31 109.33 1jwd h LEU 42 Ca -0.09 -0.71 -0.14 0.00 -0.00 0.00 0.00 57.88 56.94 1jwd h LEU 42 Cb 1.35 0.00 0.08 0.00 -0.00 0.00 0.00 40.66 42.09 1jwd h LEU 42 CO 0.07 1.28 -0.41 0.41 -0.00 0.00 0.00 178.44 179.78 1jwd n THR 43 N -4.51 -9.29 -1.88 0.22 -1.04 -0.47 -4.82 114.28 92.48 1jwd n THR 43 Ca -0.23 -0.68 -0.22 0.00 -2.04 0.00 0.00 64.05 60.88 1jwd n THR 43 Cb 0.59 -6.47 -0.07 0.00 -1.82 0.00 0.00 70.33 62.55 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 -3.17 3.32 0.34 12.58 -4.36 -1.26 -4.77 121.20 123.88 1jwd s ILE 44 Ca 0.19 -0.47 0.13 0.00 -0.26 0.00 0.00 60.65 60.25 1jwd s ILE 44 Cb -0.03 -4.11 0.33 0.00 1.25 0.00 0.00 42.46 39.90 1jwd s ILE 44 CO 0.76 -0.62 1.64 1.23 0.24 0.00 0.00 174.94 178.19 1jwd h GLY 45 N 19.60 1.98 -6.19 6.27 0.00 -1.98 -2.48 103.07 120.27 1jwd h GLY 45 Ca 0.11 -0.17 -0.53 0.00 0.00 0.00 0.00 47.33 46.74 1jwd h GLY 45 CO 1.14 -0.54 2.24 1.44 0.00 0.00 0.00 176.54 180.82 1jwd n SER 46 N -5.14 2.94 0.34 0.19 7.64 -1.26 -4.75 113.62 113.57 1jwd n SER 46 Ca 0.31 -2.52 0.20 0.00 1.01 0.00 0.00 58.87 57.87 1jwd n SER 46 Cb 0.99 -1.02 1.05 0.00 -1.01 0.00 0.00 64.21 64.22 1jwd n SER 46 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jwd h LYS 47 N 7.61 0.00 -1.07 1.43 1.79 -1.86 -0.07 116.57 124.40 1jwd h LYS 47 Ca 0.41 0.00 0.29 0.00 -2.18 0.00 0.00 60.65 59.17 1jwd h LYS 47 Cb 0.48 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.06 1jwd h LYS 47 CO 1.77 0.00 0.73 -0.07 -1.08 0.00 0.00 179.45 180.79 1jwd h LEU 48 N 0.00 0.25 0.00 2.94 3.38 -1.87 0.85 115.31 120.87 1jwd h LEU 48 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jwd h LEU 48 Cb 0.29 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jwd h LEU 48 CO -0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1jwd n GLN 49 N -4.45 0.07 -0.30 1.13 6.02 -0.04 -3.57 117.38 116.24 1jwd n GLN 49 Ca 0.25 0.27 0.11 0.00 -0.01 0.00 0.00 57.00 57.62 1jwd n GLN 49 Cb 1.01 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 31.02 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 -0.31 -0.62 1.08 1.82 -1.05 0.34 116.42 117.69 1jwd h ASP 50 Ca 0.00 0.23 0.10 0.00 -0.39 0.00 0.00 57.03 56.98 1jwd h ASP 50 Cb 0.08 0.39 -0.08 0.00 0.68 0.00 0.00 39.33 40.40 1jwd h ASP 50 CO 0.00 -0.25 0.21 0.00 -1.61 0.00 0.00 179.24 177.59 1jwd h ALA 51 N 1.85 0.79 -0.30 -0.78 0.00 -1.82 0.15 119.26 119.14 1jwd h ALA 51 Ca 0.53 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.52 1jwd h ALA 51 Cb 1.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1jwd h ALA 51 CO -0.77 -0.23 0.12 0.93 0.00 0.00 0.00 179.25 179.30 1jwd h GLU 52 N 0.37 0.45 -0.47 0.00 5.08 -0.67 -2.01 114.58 117.32 1jwd h GLU 52 Ca 0.32 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1jwd h GLU 52 Cb 0.43 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1jwd h GLU 52 CO -0.34 0.46 0.18 0.82 -1.00 0.00 0.00 179.01 179.13 1jwd h ILE 53 N 0.33 0.86 -0.37 3.13 1.08 0.16 0.85 117.51 123.55 1jwd h ILE 53 Ca 0.10 -0.12 -0.12 0.00 -0.39 0.00 0.00 64.86 64.33 1jwd h ILE 53 Cb 0.18 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1jwd h ILE 53 CO -0.01 0.07 -0.26 -0.37 -0.69 0.00 0.00 178.15 176.89 1jwd h VAL 54 N 0.36 1.27 0.05 1.67 -1.51 -0.51 0.35 116.25 117.93 1jwd h VAL 54 Ca 0.22 -1.38 -0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1jwd h VAL 54 Cb 0.22 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1jwd h VAL 54 CO -0.22 0.46 -0.02 0.50 -1.23 0.00 0.00 177.57 177.05 1jwd h LYS 55 N 0.65 -0.06 -0.70 5.19 1.63 -1.04 0.68 116.57 122.92 1jwd h LYS 55 Ca 0.08 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 1jwd h LYS 55 Cb 0.77 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.34 1jwd h LYS 55 CO 0.06 -0.00 0.31 1.25 -3.45 0.00 0.00 179.45 177.62 1jwd h LEU 56 N -0.10 0.37 -0.29 5.20 6.46 -0.53 0.12 115.31 126.54 1jwd h LEU 56 Ca -0.01 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1jwd h LEU 56 Cb 0.09 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 1jwd h LEU 56 CO 0.01 0.20 0.11 -0.03 -0.62 0.00 0.00 178.44 178.11 1jwd h MET 57 N 0.52 0.43 -0.25 1.25 4.05 -0.05 0.20 114.93 121.08 1jwd h MET 57 Ca 0.36 -0.08 0.06 0.00 -0.28 0.00 0.00 59.70 59.76 1jwd h MET 57 Cb 0.43 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.10 1jwd h MET 57 CO -0.31 0.45 -0.15 0.22 0.23 0.00 0.00 176.91 177.35 1jwd h ASP 58 N 0.31 -0.50 -0.08 1.39 3.58 -0.29 0.14 116.42 120.97 1jwd h ASP 58 Ca 0.10 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1jwd h ASP 58 Cb 0.19 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1jwd h ASP 58 CO -0.01 -0.19 -0.02 0.44 -2.88 0.00 0.00 179.24 176.58 1jwd h ASP 59 N -0.13 0.25 0.34 2.28 3.32 -0.08 0.20 116.42 122.61 1jwd h ASP 59 Ca 0.14 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1jwd h ASP 59 Cb 0.34 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1jwd h ASP 59 CO -0.33 0.32 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.27 1jwd h LEU 60 N 0.27 -0.39 -1.75 1.55 3.38 -0.16 -3.37 115.31 114.85 1jwd h LEU 60 Ca 0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1jwd h LEU 60 Cb 0.23 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1jwd h LEU 60 CO 0.01 -0.20 -0.03 -2.24 0.09 0.00 0.00 178.44 176.07 1jwd h ASP 61 N -0.62 0.11 -0.50 -0.43 3.04 -0.38 -2.99 116.42 114.65 1jwd h ASP 61 Ca -0.05 -0.01 0.08 0.00 -3.24 0.00 0.00 57.03 53.82 1jwd h ASP 61 Cb 0.35 -0.03 -0.08 0.00 -1.04 0.00 0.00 39.33 38.53 1jwd h ASP 61 CO 0.08 0.16 -0.17 -1.14 -2.04 0.00 0.00 179.24 176.12 1jwd n ARG 62 N -4.43 -0.10 -0.15 4.15 0.63 0.67 -0.89 116.66 116.55 1jwd n ARG 62 Ca -0.02 0.77 -0.02 0.00 -0.92 0.00 0.00 57.85 57.66 1jwd n ARG 62 Cb 0.15 -1.14 -0.01 0.00 0.45 0.00 0.00 32.46 31.91 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 -4.75 -0.31 -2.88 6.15 4.05 -1.13 -1.05 115.26 115.34 1jwd n ASN 63 Ca 0.06 0.64 -0.15 0.00 0.45 0.00 0.00 54.58 55.58 1jwd n ASN 63 Cb 0.21 -0.12 -0.00 0.00 1.23 0.00 0.00 39.78 41.10 1jwd n ASN 63 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1jwd n LYS 64 N -4.50 1.40 0.00 1.20 5.02 -0.28 -4.97 118.16 116.02 1jwd n LYS 64 Ca 0.02 -3.52 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 1jwd n LYS 64 Cb 0.12 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.03 0.00 -0.32 4.39 5.68 -0.07 -1.12 116.55 125.14 1jwd n ASP 65 Ca 0.19 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.60 1jwd n ASP 65 Cb 0.71 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 41.02 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 0.75 -4.00 0.11 1.08 -1.90 -3.38 115.11 107.77 1jwd h GLN 66 Ca 0.00 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 1jwd h GLN 66 Cb 0.00 -0.17 -0.19 0.00 -0.05 0.00 0.00 27.48 27.07 1jwd h GLN 66 CO 0.00 0.50 -0.67 -1.21 -0.95 0.00 0.00 178.83 176.50 1jwd s GLU 67 N -5.79 0.42 -0.05 1.46 2.02 -0.27 -2.87 118.70 113.61 1jwd s GLU 67 Ca -0.11 -0.76 -0.20 0.00 0.02 0.00 0.00 54.97 53.93 1jwd s GLU 67 Cb 0.23 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.57 1jwd s GLU 67 CO 0.80 -0.08 0.55 0.54 0.02 0.00 0.00 175.26 177.10 1jwd s VAL 68 N -2.16 5.03 0.44 2.63 0.11 0.36 -1.97 120.40 124.84 1jwd s VAL 68 Ca -0.09 1.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.95 1jwd s VAL 68 Cb -0.05 -3.89 -0.08 0.00 -1.53 0.00 0.00 36.38 30.83 1jwd s VAL 68 CO -0.03 0.38 0.86 0.54 -3.33 0.00 0.00 175.10 173.51 1jwd s ASN 69 N 0.16 6.64 0.21 3.54 2.20 -1.26 -0.47 114.94 125.96 1jwd s ASN 69 Ca 0.30 1.37 -0.16 0.00 -0.94 0.00 0.00 52.86 53.43 1jwd s ASN 69 Cb -0.17 -2.42 0.22 0.00 -2.00 0.00 0.00 41.25 36.88 1jwd s ASN 69 CO 0.15 -0.44 1.59 0.15 -2.94 0.00 0.00 177.10 175.61 1jwd h PHE 70 N 1.34 -0.70 -0.34 1.54 3.57 -1.35 0.94 116.94 121.95 1jwd h PHE 70 Ca -0.47 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.15 1jwd h PHE 70 Cb 1.18 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 1jwd h PHE 70 CO 0.62 -0.36 0.05 0.37 -2.23 0.00 0.00 178.31 176.77 1jwd h GLN 71 N -0.07 0.16 -0.01 1.11 -0.00 -1.94 -1.27 115.11 113.09 1jwd h GLN 71 Ca 0.30 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.81 1jwd h GLN 71 Cb 0.56 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.98 1jwd h GLN 71 CO -0.76 0.11 -0.66 1.49 0.00 0.00 0.00 178.83 179.01 1jwd h GLU 72 N 0.17 0.02 0.11 1.69 4.57 -1.53 0.53 114.58 120.14 1jwd h GLU 72 Ca 0.16 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1jwd h GLU 72 Cb 0.19 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1jwd h GLU 72 CO -0.23 0.67 -0.23 -0.92 -1.18 0.00 0.00 179.01 177.12 1jwd h TYR 73 N 0.02 -0.62 -0.11 0.92 3.20 -0.43 0.22 116.97 120.17 1jwd h TYR 73 Ca -0.01 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1jwd h TYR 73 Cb 1.16 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 1jwd h TYR 73 CO 0.00 -0.33 0.00 0.82 -1.64 0.00 0.00 178.16 177.01 1jwd h ILE 74 N -0.43 0.93 -0.38 1.81 1.08 -0.78 0.54 117.51 120.29 1jwd h ILE 74 Ca 0.03 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 64.56 1jwd h ILE 74 Cb 0.45 0.89 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 1jwd h ILE 74 CO -0.13 0.01 -0.11 0.74 -0.69 0.00 0.00 178.15 177.96 1jwd h THR 75 N 0.04 0.58 -0.44 -0.27 2.02 -0.72 0.13 112.91 114.25 1jwd h THR 75 Ca 0.05 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1jwd h THR 75 Cb 0.06 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1jwd h THR 75 CO -0.08 0.00 0.20 0.15 0.37 0.00 0.00 175.52 176.16 1jwd h PHE 76 N -0.03 0.65 -0.73 3.16 3.04 -0.27 0.57 116.94 123.33 1jwd h PHE 76 Ca 0.18 -0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.16 1jwd h PHE 76 Cb 0.31 -0.20 -0.05 0.00 2.56 0.00 0.00 35.95 38.58 1jwd h PHE 76 CO -0.36 0.54 0.48 -0.07 -2.02 0.00 0.00 178.31 176.88 1jwd h LEU 77 N 0.57 0.68 -0.14 0.59 3.38 -0.17 0.25 115.31 120.47 1jwd h LEU 77 Ca 0.15 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1jwd h LEU 77 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jwd h LEU 77 CO -0.02 0.44 -0.10 1.23 0.09 0.00 0.00 178.44 180.09 1jwd h GLY 78 N 0.77 0.02 0.58 0.83 0.00 0.61 0.16 103.07 106.05 1jwd h GLY 78 Ca 0.31 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.82 1jwd h GLY 78 CO -0.10 -0.11 0.18 0.00 0.00 0.00 0.00 176.54 176.50 1jwd h ALA 79 N 1.02 0.58 -0.22 3.60 0.00 0.99 0.23 119.26 125.47 1jwd h ALA 79 Ca 0.09 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jwd h ALA 79 Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jwd h ALA 79 CO -0.21 -0.21 0.02 1.25 0.00 0.00 0.00 179.25 180.10 1jwd h LEU 80 N 0.36 -0.04 -1.23 0.00 5.85 -0.24 0.23 115.31 120.24 1jwd h LEU 80 Ca 0.23 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1jwd h LEU 80 Cb 0.22 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1jwd h LEU 80 CO -0.22 0.01 0.37 0.00 -0.34 0.00 0.00 178.44 178.26 1jwd h ALA 81 N 1.17 1.42 -0.32 1.25 0.00 -0.12 -0.07 119.26 122.58 1jwd h ALA 81 Ca 0.10 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1jwd h ALA 81 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jwd h ALA 81 CO -0.15 0.49 -0.37 1.98 0.00 0.00 0.00 179.25 181.20 1jwd h MET 82 N 0.91 0.82 -0.82 0.00 1.85 0.16 -2.72 114.93 115.12 1jwd h MET 82 Ca 0.24 -0.45 0.05 0.00 -0.61 0.00 0.00 59.70 58.93 1jwd h MET 82 Cb 0.00 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.01 1jwd h MET 82 CO -0.04 1.08 0.54 0.82 -0.40 0.00 0.00 176.91 178.91 1jwd h ILE 83 N 0.59 1.09 0.00 1.77 2.04 0.02 -2.79 117.51 120.23 1jwd h ILE 83 Ca 0.04 -0.33 -0.41 0.00 1.00 0.00 0.00 64.86 65.17 1jwd h ILE 83 Cb 0.96 0.05 0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1jwd h ILE 83 CO 0.09 0.17 2.74 -1.22 0.00 0.00 0.00 178.15 179.94 1jwd n TYR 84 N -4.47 1.48 -0.34 1.37 4.01 -0.09 -4.63 117.16 114.49 1jwd n TYR 84 Ca 0.12 -2.08 0.19 0.00 -0.16 0.00 0.00 57.90 55.96 1jwd n TYR 84 Cb 0.17 -1.76 0.42 0.00 -0.31 0.00 0.00 39.34 37.86 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 6.19 0.62 -0.46 7.72 -1.24 -1.66 0.25 115.58 127.00 1jwd h ASN 85 Ca 0.54 0.13 0.09 0.00 0.71 0.00 0.00 56.30 57.77 1jwd h ASN 85 Cb 0.18 0.03 -0.09 0.00 0.73 0.00 0.00 38.32 39.17 1jwd h ASN 85 CO 1.49 0.09 -0.16 -0.08 -1.29 0.00 0.00 177.43 177.48 1jwd h GLU 86 N 0.53 -0.05 -0.21 6.67 4.81 -1.90 0.63 114.58 125.05 1jwd h GLU 86 Ca 0.64 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.86 1jwd h GLU 86 Cb 1.32 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1jwd h GLU 86 CO -0.44 -0.03 0.09 0.00 -0.73 0.00 0.00 179.01 177.89 1jwd h ALA 87 N 1.36 0.27 -0.40 2.92 0.00 -0.81 0.13 119.26 122.73 1jwd h ALA 87 Ca 0.22 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1jwd h ALA 87 Cb 0.39 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 1jwd h ALA 87 CO -0.50 -0.15 -0.18 -0.07 0.00 0.00 0.00 179.25 178.35 1jwd h LEU 88 N 0.19 -0.62 -0.57 0.00 3.38 -0.64 -2.13 115.31 114.91 1jwd h LEU 88 Ca 0.07 0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1jwd h LEU 88 Cb 0.16 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1jwd h LEU 88 CO -0.01 -0.21 -0.28 0.11 0.09 0.00 0.00 178.44 178.14 1jwd h LYS 89 N -0.10 0.84 0.00 1.13 1.79 -0.69 -3.51 116.57 116.02 1jwd h LYS 89 Ca 0.20 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1jwd h LYS 89 Cb 0.41 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1jwd h LYS 89 CO -0.47 1.01 0.00 0.41 -1.08 0.00 0.00 179.45 179.33