#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww n PRO -4 N 0.00 4.45 -3.16 1.61 -0.04 -1.26 -4.72 135.00 131.88 1cww n PRO -4 Ca 0.00 -3.83 -0.21 0.00 -0.04 0.00 0.00 63.50 59.43 1cww n PRO -4 Cb 0.00 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 1cww n PRO -4 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1cww n LEU -3 N 0.60 -0.98 -4.14 1.53 7.94 -1.26 -5.05 117.00 115.65 1cww n LEU -3 Ca 0.54 -4.15 -0.38 0.00 -1.11 0.00 0.00 56.01 50.91 1cww n LEU -3 Cb 0.29 0.64 -0.05 0.00 0.53 0.00 0.00 43.42 44.83 1cww n LEU -3 CO 0.55 1.96 0.45 0.61 -1.11 0.00 0.00 177.39 179.85 1cww n GLY -2 N 2.24 4.17 3.72 -3.96 0.00 -1.26 -5.01 105.19 105.09 1cww n GLY -2 Ca 0.23 -2.60 -0.09 0.00 0.00 0.00 0.00 46.02 43.56 1cww n GLY -2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cww s SER -1 N 0.04 -0.06 0.00 1.61 0.01 -1.21 -4.05 113.70 110.04 1cww s SER -1 Ca 0.29 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1cww s SER -1 Cb -0.07 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1cww s SER -1 CO -0.11 -1.32 0.00 1.15 0.41 0.00 0.00 173.24 173.37 1cww n MET 1 N -0.45 2.96 -2.74 12.44 0.00 -1.26 -4.49 117.12 123.58 1cww n MET 1 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.25 1cww n MET 1 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.79 1cww n MET 1 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1cww s ASP 2 N -1.09 7.24 0.19 3.17 2.15 -1.26 -4.83 116.67 122.23 1cww s ASP 2 Ca 0.00 1.51 -0.13 0.00 0.43 0.00 0.00 52.55 54.37 1cww s ASP 2 Cb 0.00 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.18 1cww s ASP 2 CO 0.00 -0.36 1.86 0.00 -0.17 0.00 0.00 175.17 176.50 1cww h ALA 3 N 7.00 0.78 -0.73 3.66 0.00 -1.97 0.54 119.26 128.55 1cww h ALA 3 Ca -0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1cww h ALA 3 Cb 1.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1cww h ALA 3 CO 0.81 0.21 0.31 -0.22 0.00 0.00 0.00 179.25 180.36 1cww h LYS 4 N 0.84 1.07 0.38 0.00 1.63 -1.96 0.12 116.57 118.65 1cww h LYS 4 Ca 0.23 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1cww h LYS 4 Cb -0.10 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.36 1cww h LYS 4 CO -0.05 0.87 -0.18 0.00 -3.45 0.00 0.00 179.45 176.64 1cww h ALA 5 N 1.15 -0.52 -0.72 5.00 0.00 -1.72 -2.08 119.26 120.38 1cww h ALA 5 Ca 0.24 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1cww h ALA 5 Cb 0.19 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1cww h ALA 5 CO -0.02 -0.57 0.48 -0.09 0.00 0.00 0.00 179.25 179.05 1cww h ARG 6 N -0.96 0.35 -0.06 0.00 2.43 0.12 -1.75 114.38 114.51 1cww h ARG 6 Ca -0.05 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1cww h ARG 6 Cb 0.54 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1cww h ARG 6 CO 0.09 0.23 -0.28 -0.91 -1.51 0.00 0.00 179.97 177.59 1cww h ASN 7 N 0.36 0.35 -0.25 -3.80 2.35 -0.76 -2.20 115.58 111.63 1cww h ASN 7 Ca 0.35 -0.65 0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1cww h ASN 7 Cb 0.85 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1cww h ASN 7 CO -0.10 0.94 0.29 0.00 -1.65 0.00 0.00 177.43 176.91 1cww h LEU 9 N 0.00 -0.32 -0.44 0.00 5.85 -1.23 -3.22 115.31 115.94 1cww h LEU 9 Ca 0.12 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 1cww h LEU 9 Cb 0.69 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1cww h LEU 9 CO -0.00 0.07 -0.77 -0.07 -0.34 0.00 0.00 178.44 177.33 1cww h LEU 10 N -0.99 0.19 -1.44 2.25 3.38 -0.74 -3.24 115.31 114.74 1cww h LEU 10 Ca -0.04 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1cww h LEU 10 Cb 0.29 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1cww h LEU 10 CO 0.06 0.89 0.39 -0.61 0.09 0.00 0.00 178.44 179.26 1cww h GLN 11 N 0.10 0.74 -1.83 1.13 4.15 0.13 -1.45 115.11 118.09 1cww h GLN 11 Ca -0.02 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.10 1cww h GLN 11 Cb 1.35 -0.17 -0.10 0.00 0.21 0.00 0.00 27.48 28.77 1cww h GLN 11 CO 0.11 0.49 0.16 0.72 -1.93 0.00 0.00 178.83 178.38 1cww n HIS 12 N -4.45 0.88 0.01 3.99 8.25 -1.22 -4.45 115.22 118.23 1cww n HIS 12 Ca 0.06 -1.63 0.23 0.00 -0.26 0.00 0.00 57.72 56.12 1cww n HIS 12 Cb 0.07 -1.04 0.72 0.00 1.12 0.00 0.00 29.99 30.87 1cww n HIS 12 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1cww h ARG 13 N 1.93 0.00 -0.42 -0.41 1.12 -1.45 0.53 114.38 115.68 1cww h ARG 13 Ca 0.22 0.00 0.12 0.00 -1.11 0.00 0.00 59.98 59.21 1cww h ARG 13 Cb 1.01 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.95 1cww h ARG 13 CO 0.49 0.00 0.30 1.05 -3.11 0.00 0.00 179.97 178.71 1cww h GLU 14 N 0.00 0.01 0.00 0.20 4.11 -1.87 -2.50 114.58 114.53 1cww h GLU 14 Ca 0.27 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.68 1cww h GLU 14 Cb 1.29 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1cww h GLU 14 CO -0.00 0.00 -1.24 0.00 0.07 0.00 0.00 179.01 177.85 1cww n ALA 15 N -2.62 2.12 -0.74 1.06 0.00 0.14 -4.49 120.51 115.97 1cww n ALA 15 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1cww n ALA 15 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1cww n ALA 15 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cww n LEU 16 N -1.77 0.00 0.22 0.00 0.00 0.13 0.29 117.00 115.87 1cww n LEU 16 Ca -0.02 0.63 0.15 0.00 0.00 0.00 0.00 56.01 56.77 1cww n LEU 16 Cb 0.23 -0.13 0.78 0.00 0.00 0.00 0.00 43.42 44.30 1cww n LEU 16 CO 0.10 -0.13 0.94 -0.08 0.00 0.00 0.00 177.39 178.22 1cww h GLU 17 N 0.00 0.00 0.13 1.96 4.57 -1.81 0.29 114.58 119.72 1cww h GLU 17 Ca 0.00 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.89 1cww h GLU 17 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1cww h GLU 17 CO 0.00 0.00 -1.48 -0.22 -1.18 0.00 0.00 179.01 176.13 1cww h LYS 18 N 0.00 0.28 0.00 1.92 3.64 -1.69 -3.42 116.57 117.30 1cww h LYS 18 Ca 0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1cww h LYS 18 Cb 0.03 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1cww h LYS 18 CO 0.00 1.23 0.00 -0.25 -2.27 0.00 0.00 179.45 178.16 1cww n ASP 19 N -3.85 0.57 -4.56 4.20 8.00 0.15 -4.92 116.55 116.14 1cww n ASP 19 Ca -0.25 -0.81 -0.33 0.00 0.71 0.00 0.00 54.79 54.12 1cww n ASP 19 Cb 0.94 0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 42.28 1cww n ASP 19 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cww s ILE 20 N -0.29 3.65 0.08 0.53 1.01 0.10 -4.93 121.20 121.36 1cww s ILE 20 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.77 1cww s ILE 20 Cb 0.00 -4.46 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1cww s ILE 20 CO 0.00 -1.36 1.01 -0.75 0.00 0.00 0.00 174.94 173.84 1cww s LYS 21 N 6.14 4.62 0.00 2.79 2.20 -1.26 -4.89 119.74 129.35 1cww s LYS 21 Ca 0.60 1.51 0.25 0.00 -0.36 0.00 0.00 55.97 57.97 1cww s LYS 21 Cb -0.04 -3.38 0.44 0.00 -1.51 0.00 0.00 37.83 33.34 1cww s LYS 21 CO -0.04 0.08 1.40 -2.37 -0.36 0.00 0.00 175.35 174.07 1cww n THR 22 N 3.14 0.05 0.00 3.43 5.66 -1.26 -4.14 114.28 121.16 1cww n THR 22 Ca 0.04 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1cww n THR 22 Cb 0.49 1.17 0.00 0.00 -1.55 0.00 0.00 70.33 70.44 1cww n THR 22 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cww n SER 23 N 1.04 0.00 0.13 1.09 3.41 -1.26 -3.91 113.62 114.12 1cww n SER 23 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.64 1cww n SER 23 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1cww n SER 23 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1cww h TYR 24 N 0.00 -0.72 -0.83 7.33 -1.99 -2.00 -1.85 116.97 116.92 1cww h TYR 24 Ca 0.00 0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.87 1cww h TYR 24 Cb 0.00 0.29 -0.08 0.00 2.00 0.00 0.00 36.73 38.94 1cww h TYR 24 CO 0.00 -0.38 0.44 0.82 -0.00 0.00 0.00 178.16 179.04 1cww h ILE 25 N -0.50 0.80 0.00 -2.88 2.04 -1.84 0.71 117.51 115.83 1cww h ILE 25 Ca 0.02 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1cww h ILE 25 Cb 0.51 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1cww h ILE 25 CO -0.13 0.12 -0.35 -0.03 0.00 0.00 0.00 178.15 177.77 1cww h MET 26 N 0.68 0.00 0.00 2.37 4.05 -1.62 -2.03 114.93 118.37 1cww h MET 26 Ca 0.43 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.78 1cww h MET 26 Cb 0.53 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 1cww h MET 26 CO -0.31 0.35 -0.35 0.22 0.23 0.00 0.00 176.91 177.05 1cww h ASP 27 N 0.00 0.00 0.88 1.39 3.58 -0.02 -0.63 116.42 121.61 1cww h ASP 27 Ca -0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.22 1cww h ASP 27 Cb 0.79 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1cww h ASP 27 CO 0.05 0.35 -1.05 0.45 -2.88 0.00 0.00 179.24 176.15 1cww h HIS 28 N 0.00 0.14 -0.09 0.28 3.86 -0.91 -2.39 115.15 116.04 1cww h HIS 28 Ca -0.00 -0.10 -0.18 0.00 -1.16 0.00 0.00 60.37 58.92 1cww h HIS 28 Cb 0.62 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1cww h HIS 28 CO 0.00 1.06 -0.71 0.52 0.86 0.00 0.00 177.93 179.66 1cww h MET 29 N 0.02 0.44 0.00 2.45 2.86 -0.68 0.11 114.93 120.13 1cww h MET 29 Ca -0.04 -0.35 -0.26 0.00 -2.06 0.00 0.00 59.70 56.98 1cww h MET 29 Cb 1.80 0.07 0.02 0.00 0.06 0.00 0.00 31.60 33.54 1cww h MET 29 CO 0.15 0.98 -1.04 0.82 1.06 0.00 0.00 176.91 178.89 1cww h ILE 30 N 0.30 1.30 0.00 -1.22 2.04 -1.22 -2.48 117.51 116.24 1cww h ILE 30 Ca -0.03 -2.28 -0.06 0.00 1.00 0.00 0.00 64.86 63.49 1cww h ILE 30 Cb 1.29 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1cww h ILE 30 CO 0.12 0.70 -0.28 -1.28 0.00 0.00 0.00 178.15 177.41 1cww h SER 31 N 0.37 0.00 0.61 1.72 0.87 -1.41 -0.45 113.55 115.26 1cww h SER 31 Ca -0.12 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 1cww h SER 31 Cb 1.69 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 1cww h SER 31 CO 0.20 0.28 -0.30 -0.78 -0.53 0.00 0.00 176.83 175.70 1cww h ASP 32 N 0.00 0.00 0.00 6.23 3.58 -0.60 -3.47 116.42 122.17 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cww h ASP 32 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1cww h ASP 32 CO 0.04 0.30 0.00 0.61 -2.88 0.00 0.00 179.24 177.31 1cww n GLY 33 N -0.18 0.69 0.11 -0.78 0.00 -0.18 -4.93 105.19 99.92 1cww n GLY 33 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1cww n GLY 33 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1cww h PHE 34 N 0.00 0.00 -3.58 1.61 -1.00 -1.67 -3.43 116.94 108.87 1cww h PHE 34 Ca 0.00 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 1cww h PHE 34 Cb 0.00 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 39.32 1cww h PHE 34 CO 0.00 0.54 -0.64 -0.51 -1.61 0.00 0.00 178.31 176.08 1cww s LEU 35 N -6.07 3.43 0.00 1.54 1.02 -1.03 -5.00 118.68 112.56 1cww s LEU 35 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 54.13 53.73 1cww s LEU 35 Cb 0.08 -1.88 0.14 0.00 0.02 0.00 0.00 46.19 44.55 1cww s LEU 35 CO 0.78 -0.07 0.85 0.35 0.02 0.00 0.00 176.35 178.29 1cww n THR 36 N 4.89 0.00 0.12 5.49 -2.24 -1.26 -4.39 114.28 116.89 1cww n THR 36 Ca -0.16 -0.95 0.03 0.00 -2.27 0.00 0.00 64.05 60.69 1cww n THR 36 Cb 0.50 -1.32 0.40 0.00 -2.10 0.00 0.00 70.33 67.82 1cww n THR 36 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1cww h ILE 37 N -1.04 1.17 0.00 2.28 2.04 -1.98 0.13 117.51 120.11 1cww h ILE 37 Ca -0.28 -0.73 -0.13 0.00 1.00 0.00 0.00 64.86 64.72 1cww h ILE 37 Cb 0.89 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1cww h ILE 37 CO 0.24 0.23 -0.60 0.77 0.00 0.00 0.00 178.15 178.79 1cww h SER 38 N 0.23 0.00 0.00 1.72 4.64 -1.98 0.11 113.55 118.26 1cww h SER 38 Ca 0.05 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 1cww h SER 38 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1cww h SER 38 CO 0.02 0.60 -0.67 -0.33 -0.87 0.00 0.00 176.83 175.58 1cww h GLU 39 N 0.00 0.45 -0.37 4.77 4.39 -1.64 -3.08 114.58 119.09 1cww h GLU 39 Ca -0.01 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.21 1cww h GLU 39 Cb 1.22 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 1cww h GLU 39 CO 0.08 1.14 0.24 1.49 -1.16 0.00 0.00 179.01 180.80 1cww h GLU 40 N -0.04 0.48 -0.45 2.33 4.81 -0.72 -3.03 114.58 117.96 1cww h GLU 40 Ca -0.08 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1cww h GLU 40 Cb 1.38 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 1cww h GLU 40 CO 0.13 0.32 -0.43 1.49 -0.73 0.00 0.00 179.01 179.79 1cww h GLU 41 N 0.50 -0.19 0.18 1.92 4.81 -0.79 0.20 114.58 121.21 1cww h GLU 41 Ca 0.14 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1cww h GLU 41 Cb -0.05 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1cww h GLU 41 CO -0.04 -0.13 -0.09 0.87 -0.73 0.00 0.00 179.01 178.90 1cww h LYS 42 N -0.20 -0.24 -0.89 1.92 1.57 -1.52 0.58 116.57 117.79 1cww h LYS 42 Ca 0.08 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1cww h LYS 42 Cb 0.40 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 1cww h LYS 42 CO -0.53 -0.13 0.59 0.28 -0.57 0.00 0.00 179.45 179.08 1cww h VAL 43 N -0.28 1.20 0.00 0.50 2.07 -1.39 -2.37 116.25 115.98 1cww h VAL 43 Ca -0.03 -0.40 -0.18 0.00 0.82 0.00 0.00 66.70 66.91 1cww h VAL 43 Cb 0.21 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1cww h VAL 43 CO 0.04 0.21 -0.90 -0.09 0.02 0.00 0.00 177.57 176.86 1cww h ARG 44 N 1.17 0.00 -0.86 1.57 2.43 -0.44 -3.32 114.38 114.93 1cww h ARG 44 Ca 0.34 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1cww h ARG 44 Cb -0.07 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.43 1cww h ARG 44 CO -0.09 0.83 0.53 -0.91 -1.51 0.00 0.00 179.97 178.82 1cww h ASN 45 N 0.00 1.03 -3.84 -3.80 2.35 0.70 -3.42 115.58 108.61 1cww h ASN 45 Ca -0.02 -0.06 -0.53 0.00 -0.55 0.00 0.00 56.30 55.14 1cww h ASN 45 Cb 1.67 -0.26 0.07 0.00 0.05 0.00 0.00 38.32 39.85 1cww h ASN 45 CO 0.11 0.79 0.68 -1.61 -1.65 0.00 0.00 177.43 175.75 1cww s GLU 46 N -5.99 4.29 0.24 0.81 0.41 -1.12 -4.95 118.70 112.39 1cww s GLU 46 Ca -0.13 2.31 0.25 0.00 -0.41 0.00 0.00 54.97 56.98 1cww s GLU 46 Cb 0.16 -3.05 0.50 0.00 -1.78 0.00 0.00 34.13 29.96 1cww s GLU 46 CO 0.81 -0.29 1.55 -1.35 -0.49 0.00 0.00 175.26 175.48 1cww h PRO 47 N 3.48 0.00 -4.67 0.39 0.11 -1.90 -3.44 132.00 125.97 1cww h PRO 47 Ca -0.49 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 1cww h PRO 47 Cb 1.23 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 1cww h PRO 47 CO 0.67 0.00 -0.62 0.95 -0.21 0.00 0.00 178.00 178.79 1cww s THR 48 N -3.17 0.15 0.59 -1.15 -4.23 -1.26 -5.00 115.64 101.57 1cww s THR 48 Ca 0.08 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.88 1cww s THR 48 Cb 0.11 -2.53 0.39 0.00 1.34 0.00 0.00 72.50 71.81 1cww s THR 48 CO 0.66 -0.01 1.79 -0.61 -0.54 0.00 0.00 174.62 175.91 1cww h GLN 49 N 2.56 0.00 0.00 3.99 -0.00 -1.95 -1.13 115.11 118.58 1cww h GLN 49 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1cww h GLN 49 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.73 1cww h GLN 49 CO 0.55 0.00 0.00 0.94 0.00 0.00 0.00 178.83 180.32 1cww n GLN 50 N -3.64 0.00 0.00 1.69 7.27 -1.26 -0.30 117.38 121.14 1cww n GLN 50 Ca 0.12 0.16 0.12 0.00 0.07 0.00 0.00 57.00 57.48 1cww n GLN 50 Cb 0.85 -0.55 0.29 0.00 2.41 0.00 0.00 30.24 33.24 1cww n GLN 50 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1cww n GLN 51 N -0.37 0.46 0.21 3.69 6.02 -1.20 -2.70 117.38 123.49 1cww n GLN 51 Ca 0.00 -0.28 -0.09 0.00 -0.01 0.00 0.00 57.00 56.62 1cww n GLN 51 Cb 0.00 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 1cww n GLN 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cww h ARG 52 N 0.69 -0.56 -0.58 -1.09 3.08 -0.94 0.28 114.38 115.26 1cww h ARG 52 Ca 0.00 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1cww h ARG 52 Cb 0.51 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1cww h ARG 52 CO 0.00 -0.38 0.09 0.00 -1.07 0.00 0.00 179.97 178.62 1cww h ALA 53 N -1.38 0.78 -0.59 0.04 0.00 -0.83 -2.28 119.26 115.00 1cww h ALA 53 Ca -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1cww h ALA 53 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1cww h ALA 53 CO 0.10 0.53 0.34 0.00 0.00 0.00 0.00 179.25 180.21 1cww h ALA 54 N 1.01 1.49 -0.42 0.00 0.00 -1.46 -0.40 119.26 119.47 1cww h ALA 54 Ca 0.18 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1cww h ALA 54 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1cww h ALA 54 CO 0.01 0.44 -0.03 1.98 0.00 0.00 0.00 179.25 181.65 1cww h MET 55 N 0.81 0.77 0.41 0.00 -1.53 -0.02 0.31 114.93 115.69 1cww h MET 55 Ca 0.21 -0.26 -0.02 0.00 -3.44 0.00 0.00 59.70 56.19 1cww h MET 55 Cb -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 30.99 1cww h MET 55 CO -0.04 0.86 -0.20 1.25 0.14 0.00 0.00 176.91 178.92 1cww h LEU 56 N 0.60 -0.47 -1.86 3.39 5.85 -0.88 0.10 115.31 122.05 1cww h LEU 56 Ca 0.12 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1cww h LEU 56 Cb 0.53 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1cww h LEU 56 CO 0.03 -0.29 -0.13 0.40 -0.34 0.00 0.00 178.44 178.10 1cww h ILE 57 N -0.61 0.65 0.04 4.05 2.04 -1.05 -2.20 117.51 120.42 1cww h ILE 57 Ca -0.06 -0.56 -0.22 0.00 1.00 0.00 0.00 64.86 65.02 1cww h ILE 57 Cb 0.45 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1cww h ILE 57 CO 0.09 0.13 -1.00 0.50 0.00 0.00 0.00 178.15 177.87 1cww h LYS 58 N 0.00 0.18 0.10 2.37 3.64 0.08 -2.10 116.57 120.84 1cww h LYS 58 Ca -0.00 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1cww h LYS 58 Cb 0.34 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1cww h LYS 58 CO 0.02 1.04 -0.05 0.52 -2.27 0.00 0.00 179.45 178.71 1cww h MET 59 N 0.08 -0.13 -0.00 1.90 2.86 -0.17 -2.38 114.93 117.09 1cww h MET 59 Ca -0.06 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1cww h MET 59 Cb 1.68 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.36 1cww h MET 59 CO 0.15 -0.01 -0.22 0.82 1.06 0.00 0.00 176.91 178.71 1cww h ILE 60 N -0.22 1.16 -0.88 -1.22 5.03 -1.57 -2.41 117.51 117.41 1cww h ILE 60 Ca -0.01 -0.76 0.17 0.00 -0.12 0.00 0.00 64.86 64.13 1cww h ILE 60 Cb 0.18 1.41 -0.10 0.00 -3.03 0.00 0.00 36.82 35.27 1cww h ILE 60 CO 0.02 0.22 0.45 0.25 -0.68 0.00 0.00 178.15 178.41 1cww h LEU 61 N 0.00 0.52 -5.47 1.44 6.46 -0.83 -2.78 115.31 114.65 1cww h LEU 61 Ca -0.00 0.10 -0.56 0.00 -0.12 0.00 0.00 57.88 57.31 1cww h LEU 61 Cb 0.39 0.03 -0.41 0.00 -0.73 0.00 0.00 40.66 39.93 1cww h LEU 61 CO 0.03 0.19 -0.80 1.17 -0.62 0.00 0.00 178.44 178.40 1cww n LYS 62 N -4.89 2.60 0.00 1.25 4.81 -0.93 -4.81 118.16 116.18 1cww n LYS 62 Ca 0.19 -4.43 0.00 0.00 -0.87 0.00 0.00 58.31 53.20 1cww n LYS 62 Cb 0.49 -2.08 0.00 0.00 0.02 0.00 0.00 35.03 33.46 1cww n LYS 62 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cww n LYS 63 N -0.10 0.00 -3.45 1.64 3.00 -1.04 -4.87 118.16 113.35 1cww n LYS 63 Ca 0.29 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.49 1cww n LYS 63 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.48 1cww n LYS 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1cww s ASP 64 N 0.84 -0.53 0.27 3.14 2.15 -1.26 -3.34 116.67 117.94 1cww s ASP 64 Ca 0.00 0.05 0.01 0.00 0.43 0.00 0.00 52.55 53.04 1cww s ASP 64 Cb 0.00 0.55 0.63 0.00 -0.30 0.00 0.00 42.92 43.80 1cww s ASP 64 CO 0.00 -0.87 1.69 -1.13 -0.17 0.00 0.00 175.17 174.70 1cww h ASN 65 N 2.07 0.22 -0.13 -0.34 -0.73 -1.88 0.28 115.58 115.07 1cww h ASN 65 Ca -0.31 0.15 0.02 0.00 1.87 0.00 0.00 56.30 58.03 1cww h ASN 65 Cb 1.28 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 40.01 1cww h ASN 65 CO 0.37 -0.01 -0.00 -0.78 -0.37 0.00 0.00 177.43 176.63 1cww h ASP 66 N 0.36 -0.05 0.69 1.15 3.58 -1.98 0.54 116.42 120.71 1cww h ASP 66 Ca 0.51 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.91 1cww h ASP 66 Cb 0.93 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 1cww h ASP 66 CO -0.52 -0.01 -0.37 0.28 -2.88 0.00 0.00 179.24 175.74 1cww h SER 67 N 0.04 0.00 -0.27 2.28 0.02 -1.56 -1.87 113.55 112.19 1cww h SER 67 Ca 0.06 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1cww h SER 67 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1cww h SER 67 CO -0.10 0.37 -0.35 0.22 -1.14 0.00 0.00 176.83 175.83 1cww h TYR 68 N 0.00 0.87 0.00 3.45 3.20 0.13 0.43 116.97 125.05 1cww h TYR 68 Ca -0.00 -0.28 -0.05 0.00 3.14 0.00 0.00 58.73 61.54 1cww h TYR 68 Cb 0.81 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1cww h TYR 68 CO 0.00 1.04 -0.22 0.28 -1.64 0.00 0.00 178.16 177.62 1cww h VAL 69 N 0.45 0.61 0.18 1.81 2.07 -0.72 0.30 116.25 120.96 1cww h VAL 69 Ca 0.03 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1cww h VAL 69 Cb 0.93 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1cww h VAL 69 CO 0.08 0.22 -0.08 -1.28 0.02 0.00 0.00 177.57 176.52 1cww h SER 70 N 0.00 -0.20 -0.89 0.57 0.87 -0.78 0.22 113.55 113.35 1cww h SER 70 Ca -0.00 -0.32 0.09 0.00 -1.23 0.00 0.00 61.79 60.32 1cww h SER 70 Cb 0.66 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.61 1cww h SER 70 CO 0.03 0.28 0.57 0.15 -0.53 0.00 0.00 176.83 177.33 1cww h PHE 71 N -0.75 0.96 -0.11 2.24 3.57 0.17 0.50 116.94 123.53 1cww h PHE 71 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1cww h PHE 71 Cb 0.51 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1cww h PHE 71 CO 0.07 0.45 0.02 -0.92 -2.23 0.00 0.00 178.31 175.69 1cww h TYR 72 N 0.90 0.02 -0.27 0.41 3.20 -0.25 -1.90 116.97 119.08 1cww h TYR 72 Ca 0.41 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.29 1cww h TYR 72 Cb 0.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1cww h TYR 72 CO -0.00 0.01 0.18 -0.97 -1.64 0.00 0.00 178.16 175.73 1cww h ASN 73 N 0.06 0.31 -0.07 -2.11 -1.24 0.12 -1.31 115.58 111.33 1cww h ASN 73 Ca 0.05 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.97 1cww h ASN 73 Cb 0.04 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1cww h ASN 73 CO -0.07 0.22 -0.19 0.00 -1.29 0.00 0.00 177.43 176.10 1cww h ALA 74 N 1.83 1.20 -0.19 1.57 0.00 -0.20 0.09 119.26 123.57 1cww h ALA 74 Ca 0.10 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1cww h ALA 74 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1cww h ALA 74 CO -0.02 0.51 -0.24 -0.07 0.00 0.00 0.00 179.25 179.43 1cww h LEU 75 N 0.41 0.34 0.00 0.00 3.38 -0.76 -1.73 115.31 116.95 1cww h LEU 75 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cww h LEU 75 Cb 0.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1cww h LEU 75 CO 0.04 0.59 -0.04 -0.07 0.09 0.00 0.00 178.44 179.05 1cww h LEU 76 N 0.31 0.00 -0.90 1.67 4.07 -1.11 -1.60 115.31 117.75 1cww h LEU 76 Ca 0.05 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 1cww h LEU 76 Cb 0.60 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 1cww h LEU 76 CO 0.04 0.00 -0.43 0.45 -1.08 0.00 0.00 178.44 177.42 1cww h HIS 77 N 0.00 0.00 -0.42 1.13 3.86 -0.09 -3.45 115.15 116.18 1cww h HIS 77 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1cww h HIS 77 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1cww h HIS 77 CO 0.00 0.43 0.00 0.39 0.86 0.00 0.00 177.93 179.61 1cww n GLU 78 N -3.60 3.42 -1.99 2.45 -0.58 -1.01 -5.04 120.64 114.29 1cww n GLU 78 Ca -0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1cww n GLU 78 Cb 0.53 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.43 1cww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cww n GLY 79 N 5.00 6.05 2.57 0.62 0.00 -1.25 -4.72 105.19 113.46 1cww n GLY 79 Ca 0.00 -2.59 -0.22 0.00 0.00 0.00 0.00 46.02 43.21 1cww n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cww n TYR 80 N -0.66 2.76 0.39 1.61 4.01 -0.61 -4.81 117.16 119.84 1cww n TYR 80 Ca 0.48 -3.18 0.13 0.00 -0.16 0.00 0.00 57.90 55.17 1cww n TYR 80 Cb 0.71 -0.22 0.31 0.00 -0.31 0.00 0.00 39.34 39.83 1cww n TYR 80 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1cww h LYS 81 N 2.76 0.00 0.07 -0.72 2.10 -1.85 -2.83 116.57 116.10 1cww h LYS 81 Ca 0.17 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.56 1cww h LYS 81 Cb 0.94 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1cww h LYS 81 CO 0.74 0.00 -1.23 0.38 -2.00 0.00 0.00 179.45 177.34 1cww h ASP 82 N 0.00 0.22 -0.14 7.07 3.04 -1.93 -0.62 116.42 124.07 1cww h ASP 82 Ca 0.00 -0.26 -0.05 0.00 -3.24 0.00 0.00 57.03 53.49 1cww h ASP 82 Cb 0.83 -0.07 -0.00 0.00 -1.04 0.00 0.00 39.33 39.05 1cww h ASP 82 CO 0.00 1.21 -0.10 0.25 -2.04 0.00 0.00 179.24 178.56 1cww h LEU 83 N 0.04 0.33 -1.50 0.15 7.12 -1.94 -2.09 115.31 117.41 1cww h LEU 83 Ca -0.11 -0.44 -0.01 0.00 0.13 0.00 0.00 57.88 57.44 1cww h LEU 83 Cb 1.90 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.92 1cww h LEU 83 CO 0.16 0.70 0.21 0.00 -0.13 0.00 0.00 178.44 179.37 1cww h ALA 84 N 0.64 1.62 -0.48 1.25 0.00 -1.55 -1.42 119.26 119.32 1cww h ALA 84 Ca 0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1cww h ALA 84 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1cww h ALA 84 CO 0.03 0.32 0.04 0.00 0.00 0.00 0.00 179.25 179.64 1cww h ALA 85 N 1.68 1.19 0.00 0.00 0.00 -0.79 0.24 119.26 121.59 1cww h ALA 85 Ca 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1cww h ALA 85 Cb 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1cww h ALA 85 CO -0.02 0.54 -0.11 -0.07 0.00 0.00 0.00 179.25 179.59 1cww h LEU 86 N 0.72 0.00 0.00 0.00 3.38 -0.57 -1.66 115.31 117.18 1cww h LEU 86 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1cww h LEU 86 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1cww h LEU 86 CO 0.01 0.11 -1.12 0.18 0.09 0.00 0.00 178.44 177.71 1cww n LEU 87 N -4.13 0.60 0.27 1.67 4.32 -0.47 -4.11 117.00 115.15 1cww n LEU 87 Ca -0.02 -0.07 0.18 0.00 -0.02 0.00 0.00 56.01 56.07 1cww n LEU 87 Cb 0.19 -0.08 0.92 0.00 -1.62 0.00 0.00 43.42 42.83 1cww n LEU 87 CO 0.33 0.06 1.04 -0.74 -1.22 0.00 0.00 177.39 176.87 1cww h HIS 88 N 0.00 0.00 0.00 -1.77 2.76 0.44 0.15 115.15 116.73 1cww h HIS 88 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1cww h HIS 88 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1cww h HIS 88 CO 0.00 0.00 0.00 0.22 -1.30 0.00 0.00 177.93 176.85 1cww h ASP 89 N 0.00 0.00 0.00 3.26 3.58 -1.71 -2.72 116.42 118.83 1cww h ASP 89 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1cww h ASP 89 Cb 0.13 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1cww h ASP 89 CO 0.00 0.00 -1.49 0.61 -2.88 0.00 0.00 179.24 175.48 1cww n GLY 90 N -0.28 -0.48 3.64 -0.78 0.00 0.46 -4.86 105.19 102.89 1cww n GLY 90 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1cww n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cww s ILE 91 N -2.71 4.09 0.00 -0.61 -1.09 -0.77 -4.65 121.20 115.46 1cww s ILE 91 Ca -0.04 1.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1cww s ILE 91 Cb 0.07 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1cww s ILE 91 CO 0.44 -0.30 0.67 -2.65 -1.23 0.00 0.00 174.94 171.87 1cww n PRO 92 N 7.10 0.00 -4.03 2.79 -0.02 -1.26 -4.89 135.00 134.69 1cww n PRO 92 Ca 0.15 0.39 -0.16 0.00 -2.02 0.00 0.00 63.50 61.87 1cww n PRO 92 Cb 0.45 -1.27 -0.15 0.00 -0.02 0.00 0.00 33.50 32.52 1cww n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1cww s VAL 93 N -2.13 0.27 -0.68 -1.45 -7.23 -1.26 -5.06 120.40 102.87 1cww s VAL 93 Ca 0.00 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.14 1cww s VAL 93 Cb 0.00 -0.28 0.31 0.00 0.56 0.00 0.00 36.38 36.96 1cww s VAL 93 CO 0.00 0.12 1.01 0.55 -0.31 0.00 0.00 175.10 176.46 1cww n VAL 94 N 3.47 3.30 0.00 1.32 3.14 -1.26 -4.77 118.33 123.53 1cww n VAL 94 Ca -0.19 -5.53 -0.16 0.00 -2.96 0.00 0.00 64.34 55.50 1cww n VAL 94 Cb 0.55 -1.69 -0.14 0.00 -1.06 0.00 0.00 33.84 31.50 1cww n VAL 94 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1cww h SER 95 N 3.66 0.26 -3.59 6.55 0.02 -2.00 -3.44 113.55 115.00 1cww h SER 95 Ca 0.20 -0.54 -0.63 0.00 -0.84 0.00 0.00 61.79 59.97 1cww h SER 95 Cb 0.54 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 62.86 1cww h SER 95 CO 0.90 1.48 0.01 -0.94 -1.14 0.00 0.00 176.83 177.13 1cww s SER 96 N -6.67 6.37 0.00 3.07 1.04 -1.26 -5.29 113.70 110.97 1cww s SER 96 Ca -0.14 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1cww s SER 96 Cb 0.07 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1cww s SER 96 CO 0.80 -0.46 0.20 -1.20 0.98 0.00 0.00 173.24 173.57