#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww h PRO -4 N 0.00 0.00 -4.68 1.61 0.13 -2.05 -3.39 132.00 123.63 1cww h PRO -4 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 1cww h PRO -4 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 1cww h PRO -4 CO 0.00 0.07 -0.60 -0.51 -0.23 0.00 0.00 178.00 176.73 1cww s LEU -3 N -8.49 4.32 0.00 1.56 1.02 -1.26 -4.56 118.68 111.27 1cww s LEU -3 Ca -0.04 -1.11 0.00 0.00 0.02 0.00 0.00 54.13 52.99 1cww s LEU -3 Cb 0.16 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.49 1cww s LEU -3 CO 0.65 -0.32 0.00 0.61 0.02 0.00 0.00 176.35 177.30 1cww n GLY -2 N 4.82 0.93 3.44 -3.19 0.00 -1.26 -5.12 105.19 104.81 1cww n GLY -2 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1cww n GLY -2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cww s SER -1 N -1.54 -0.68 0.40 1.61 1.04 -1.15 -4.65 113.70 108.72 1cww s SER -1 Ca 0.00 1.16 0.06 0.00 0.48 0.00 0.00 55.95 57.65 1cww s SER -1 Cb 0.00 1.06 0.06 0.00 0.10 0.00 0.00 66.02 67.24 1cww s SER -1 CO 0.00 -0.21 0.50 1.15 0.98 0.00 0.00 173.24 175.66 1cww n MET 1 N 4.00 0.77 -2.45 4.02 0.00 -1.26 -3.61 117.12 118.58 1cww n MET 1 Ca -0.20 -2.19 -0.42 0.00 0.00 0.00 0.00 57.70 54.88 1cww n MET 1 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 33.22 33.67 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 -3.43 7.06 0.17 3.17 -1.08 -1.26 -4.83 116.67 116.46 1cww s ASP 2 Ca 0.38 1.85 -0.14 0.00 -0.52 0.00 0.00 52.55 54.11 1cww s ASP 2 Cb -0.03 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 38.94 1cww s ASP 2 CO 0.24 -0.56 1.81 0.00 0.52 0.00 0.00 175.17 177.18 1cww h ALA 3 N 7.36 0.61 -0.83 3.66 0.00 -1.97 0.59 119.26 128.68 1cww h ALA 3 Ca -0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1cww h ALA 3 Cb 1.17 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1cww h ALA 3 CO 0.87 -0.01 0.38 -0.22 0.00 0.00 0.00 179.25 180.27 1cww h LYS 4 N 0.58 1.21 0.49 0.00 3.11 -1.97 0.21 116.57 120.21 1cww h LYS 4 Ca 0.19 -0.19 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1cww h LYS 4 Cb 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.03 1cww h LYS 4 CO -0.08 0.94 -0.24 0.00 -2.81 0.00 0.00 179.45 177.26 1cww h ALA 5 N 1.22 -0.66 -0.49 5.00 0.00 -1.64 0.12 119.26 122.81 1cww h ALA 5 Ca 0.28 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1cww h ALA 5 Cb 0.14 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1cww h ALA 5 CO -0.03 -0.69 0.33 -0.09 0.00 0.00 0.00 179.25 178.76 1cww h ARG 6 N -1.02 0.53 0.00 0.00 1.12 0.25 -2.07 114.38 113.20 1cww h ARG 6 Ca -0.07 -0.03 -0.04 0.00 -1.11 0.00 0.00 59.98 58.73 1cww h ARG 6 Cb 0.60 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 1cww h ARG 6 CO 0.11 0.35 -0.14 -0.91 -3.11 0.00 0.00 179.97 176.27 1cww h ASN 7 N 0.55 0.12 -0.13 -3.80 2.35 -0.58 -2.77 115.58 111.32 1cww h ASN 7 Ca 0.20 -0.81 0.04 0.00 -0.55 0.00 0.00 56.30 55.18 1cww h ASN 7 Cb 0.11 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1cww h ASN 7 CO -0.05 0.91 0.24 0.00 -1.65 0.00 0.00 177.43 176.88 1cww h LEU 9 N 0.00 -0.40 0.00 0.00 5.85 -1.31 -3.21 115.31 116.24 1cww h LEU 9 Ca 0.06 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1cww h LEU 9 Cb 0.55 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1cww h LEU 9 CO -0.00 0.06 -0.49 -0.07 -0.34 0.00 0.00 178.44 177.60 1cww h LEU 10 N -1.05 0.00 -0.78 2.25 3.38 -1.01 -3.31 115.31 114.79 1cww h LEU 10 Ca -0.05 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1cww h LEU 10 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1cww h LEU 10 CO 0.08 0.07 -0.47 -0.61 0.09 0.00 0.00 178.44 177.60 1cww h GLN 11 N 0.00 0.33 -1.75 1.13 4.15 0.20 -2.67 115.11 116.50 1cww h GLN 11 Ca 0.00 -0.18 -0.23 0.00 0.77 0.00 0.00 58.65 59.01 1cww h GLN 11 Cb 0.77 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.37 1cww h GLN 11 CO 0.00 0.74 0.23 0.72 -1.93 0.00 0.00 178.83 178.58 1cww n HIS 12 N -3.98 0.95 0.04 3.99 8.25 -1.21 -4.53 115.22 118.73 1cww n HIS 12 Ca -0.02 -1.63 0.21 0.00 -0.26 0.00 0.00 57.72 56.03 1cww n HIS 12 Cb 0.53 -0.90 0.73 0.00 1.12 0.00 0.00 29.99 31.48 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 1.58 0.00 -0.14 -0.41 2.43 -1.69 0.63 114.38 116.77 1cww h ARG 13 Ca 0.20 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1cww h ARG 13 Cb 0.97 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1cww h ARG 13 CO 0.49 0.00 0.15 1.49 -1.51 0.00 0.00 179.97 180.59 1cww h GLU 14 N 0.00 0.00 0.00 0.20 4.57 -1.89 -2.31 114.58 115.16 1cww h GLU 14 Ca 0.23 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.31 1cww h GLU 14 Cb 1.17 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1cww h GLU 14 CO -0.00 0.00 -1.48 0.00 -1.18 0.00 0.00 179.01 176.35 1cww n ALA 15 N -2.35 1.91 -1.00 2.92 0.00 0.15 -4.47 120.51 117.67 1cww n ALA 15 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1cww n ALA 15 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.18 0.00 0.00 0.00 -0.00 0.17 -1.35 117.00 113.64 1cww n LEU 16 Ca -0.10 0.37 0.06 0.00 -0.00 0.00 0.00 56.01 56.34 1cww n LEU 16 Cb 0.64 0.00 0.37 0.00 -0.00 0.00 0.00 43.42 44.43 1cww n LEU 16 CO 0.16 0.00 0.58 1.21 -0.00 0.00 0.00 177.39 179.34 1cww n GLU 17 N -0.56 0.44 0.01 1.96 2.13 -1.14 -0.02 120.64 123.46 1cww n GLU 17 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1cww n GLU 17 Cb 0.00 -1.45 -0.14 0.00 0.27 0.00 0.00 31.44 30.13 1cww n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1cww h LYS 18 N 0.00 0.22 0.00 5.31 3.64 -1.63 -3.41 116.57 120.71 1cww h LYS 18 Ca 0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1cww h LYS 18 Cb 0.00 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1cww h LYS 18 CO 0.00 1.18 0.00 -0.25 -2.27 0.00 0.00 179.45 178.11 1cww n ASP 19 N -4.11 0.78 -4.58 4.20 8.00 -0.46 -5.01 116.55 115.37 1cww n ASP 19 Ca -0.19 -0.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.91 1cww n ASP 19 Cb 0.81 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.91 1cww n ASP 19 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1cww s ILE 20 N -0.02 3.36 0.20 0.53 2.07 0.97 -4.96 121.20 123.35 1cww s ILE 20 Ca 0.00 0.33 0.01 0.00 -1.41 0.00 0.00 60.65 59.58 1cww s ILE 20 Cb 0.00 -3.58 -0.04 0.00 0.13 0.00 0.00 42.46 38.97 1cww s ILE 20 CO 0.00 -0.44 0.36 -0.75 -1.91 0.00 0.00 174.94 172.21 1cww s LYS 21 N 6.26 3.48 0.00 3.50 2.20 -1.26 -4.92 119.74 129.00 1cww s LYS 21 Ca 0.81 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1cww s LYS 21 Cb -0.21 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1cww s LYS 21 CO 0.30 0.42 0.47 -2.37 -0.36 0.00 0.00 175.35 173.82 1cww n THR 22 N -0.84 0.05 0.00 3.43 5.66 -1.26 -4.69 114.28 116.62 1cww n THR 22 Ca -0.06 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1cww n THR 22 Cb 0.55 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 1cww n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cww n SER 23 N -0.02 0.00 -0.31 1.09 7.64 -1.26 -3.84 113.62 116.92 1cww n SER 23 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1cww n SER 23 Cb 0.04 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.31 1cww n SER 23 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1cww h TYR 24 N 0.00 1.20 -0.50 1.43 -1.99 -1.99 -1.19 116.97 113.93 1cww h TYR 24 Ca 0.00 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.72 1cww h TYR 24 Cb 0.00 -0.37 -0.04 0.00 2.00 0.00 0.00 36.73 38.32 1cww h TYR 24 CO 0.00 0.86 0.26 0.82 -0.00 0.00 0.00 178.16 180.10 1cww h ILE 25 N 1.19 0.98 0.00 -2.88 2.04 -1.83 -0.77 117.51 116.23 1cww h ILE 25 Ca 0.29 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1cww h ILE 25 Cb 0.10 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1cww h ILE 25 CO -0.04 0.09 0.00 -0.03 0.00 0.00 0.00 178.15 178.18 1cww h MET 26 N 0.52 0.00 -0.10 2.37 4.05 -1.62 -2.70 114.93 117.44 1cww h MET 26 Ca 0.22 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.42 1cww h MET 26 Cb 0.11 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1cww h MET 26 CO -0.14 0.00 -0.78 0.22 0.23 0.00 0.00 176.91 176.44 1cww h ASP 27 N 0.00 0.86 0.99 1.39 1.82 0.09 -2.25 116.42 119.32 1cww h ASP 27 Ca 0.00 -0.66 -0.10 0.00 -0.39 0.00 0.00 57.03 55.88 1cww h ASP 27 Cb 0.76 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1cww h ASP 27 CO 0.00 1.39 -0.48 0.45 -1.61 0.00 0.00 179.24 178.99 1cww h HIS 28 N 0.40 0.00 0.01 0.28 3.86 -1.27 -2.33 115.15 116.09 1cww h HIS 28 Ca -0.07 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.95 1cww h HIS 28 Cb 1.42 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.87 1cww h HIS 28 CO 0.10 0.48 -0.90 1.98 0.86 0.00 0.00 177.93 180.45 1cww h MET 29 N 0.00 0.05 0.11 2.45 1.85 -1.41 -1.78 114.93 116.21 1cww h MET 29 Ca -0.00 -0.07 -0.24 0.00 -0.61 0.00 0.00 59.70 58.78 1cww h MET 29 Cb 1.11 0.02 0.02 0.00 0.43 0.00 0.00 31.60 33.18 1cww h MET 29 CO 0.06 0.91 -0.99 0.82 -0.40 0.00 0.00 176.91 177.32 1cww h ILE 30 N 0.02 1.38 0.00 1.77 2.04 -1.37 -2.47 117.51 118.89 1cww h ILE 30 Ca -0.02 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.40 1cww h ILE 30 Cb 1.57 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 40.49 1cww h ILE 30 CO 0.12 0.71 -0.13 0.77 0.00 0.00 0.00 178.15 179.62 1cww h SER 31 N -0.01 0.00 0.70 1.72 4.64 -1.48 0.43 113.55 119.56 1cww h SER 31 Ca -0.15 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 1cww h SER 31 Cb 1.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.79 1cww h SER 31 CO 0.19 0.13 -0.58 -0.78 -0.87 0.00 0.00 176.83 174.92 1cww h ASP 32 N 0.00 0.00 0.00 4.97 1.82 -1.25 -3.47 116.42 118.49 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cww h ASP 32 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1cww h ASP 32 CO 0.02 0.58 0.00 0.61 -1.61 0.00 0.00 179.24 178.84 1cww n GLY 33 N 0.32 0.57 0.12 -0.78 0.00 0.14 -4.96 105.19 100.60 1cww n GLY 33 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 0.56 -3.65 1.61 -1.00 -1.66 -3.41 116.94 109.39 1cww h PHE 34 Ca 0.00 -0.39 -0.68 0.00 2.81 0.00 0.00 57.97 59.71 1cww h PHE 34 Cb 0.00 -0.03 -0.19 0.00 3.61 0.00 0.00 35.95 39.34 1cww h PHE 34 CO 0.00 1.28 -0.40 -0.51 -1.61 0.00 0.00 178.31 177.08 1cww s LEU 35 N -7.29 4.64 0.00 1.54 1.43 -1.07 -5.01 118.68 112.92 1cww s LEU 35 Ca -0.05 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1cww s LEU 35 Cb 0.07 -2.22 0.05 0.00 0.03 0.00 0.00 46.19 44.12 1cww s LEU 35 CO 0.89 -0.33 0.31 0.35 0.23 0.00 0.00 176.35 177.79 1cww n THR 36 N 5.18 0.00 0.13 5.49 -2.24 -1.26 -4.41 114.28 117.17 1cww n THR 36 Ca -0.11 -0.31 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1cww n THR 36 Cb 0.49 -1.64 0.42 0.00 -2.10 0.00 0.00 70.33 67.50 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 -0.91 1.16 -0.51 2.28 2.04 -1.97 0.18 117.51 119.77 1cww h ILE 37 Ca -0.10 -0.68 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1cww h ILE 37 Cb 0.31 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1cww h ILE 37 CO 0.08 0.21 0.03 0.28 0.00 0.00 0.00 178.15 178.76 1cww h SER 38 N 0.22 0.86 -0.21 1.72 0.02 -1.99 0.44 113.55 114.61 1cww h SER 38 Ca 0.05 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1cww h SER 38 Cb 0.31 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1cww h SER 38 CO 0.02 0.94 -0.14 -0.33 -1.14 0.00 0.00 176.83 176.17 1cww h GLU 39 N 0.76 0.47 0.02 3.45 3.07 -1.71 -3.08 114.58 117.56 1cww h GLU 39 Ca 0.15 -0.22 0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1cww h GLU 39 Cb 0.48 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1cww h GLU 39 CO 0.02 0.78 -0.06 1.49 -1.40 0.00 0.00 179.01 179.84 1cww h GLU 40 N 0.17 -0.11 0.22 2.33 4.81 -0.48 -2.79 114.58 118.72 1cww h GLU 40 Ca 0.04 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1cww h GLU 40 Cb 0.66 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 1cww h GLU 40 CO 0.04 -0.07 -0.40 1.49 -0.73 0.00 0.00 179.01 179.34 1cww h GLU 41 N -0.11 -0.67 -0.07 1.92 4.81 -0.15 -0.80 114.58 119.52 1cww h GLU 41 Ca 0.02 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1cww h GLU 41 Cb 0.13 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1cww h GLU 41 CO -0.05 -0.45 -0.08 0.87 -0.73 0.00 0.00 179.01 178.58 1cww h LYS 42 N -0.69 -0.10 -0.69 1.92 1.57 -1.55 0.84 116.57 117.86 1cww h LYS 42 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1cww h LYS 42 Cb 0.68 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1cww h LYS 42 CO -0.17 -0.07 0.44 0.28 -0.57 0.00 0.00 179.45 179.37 1cww h VAL 43 N -0.10 1.14 0.00 0.50 2.07 -1.44 -2.46 116.25 115.95 1cww h VAL 43 Ca 0.06 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 1cww h VAL 43 Cb 0.18 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1cww h VAL 43 CO -0.13 0.16 -0.65 -0.09 0.02 0.00 0.00 177.57 176.88 1cww h ARG 44 N 0.89 0.00 -0.44 1.57 1.12 -0.80 -3.26 114.38 113.46 1cww h ARG 44 Ca 0.26 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 59.06 1cww h ARG 44 Cb -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 1cww h ARG 44 CO -0.08 0.65 -0.02 -0.91 -3.11 0.00 0.00 179.97 176.50 1cww h ASN 45 N 0.00 0.70 -3.86 -3.80 -0.26 0.12 -3.45 115.58 105.03 1cww h ASN 45 Ca -0.01 -0.17 -0.55 0.00 -0.56 0.00 0.00 56.30 55.01 1cww h ASN 45 Cb 1.26 -0.19 0.18 0.00 -1.06 0.00 0.00 38.32 38.51 1cww h ASN 45 CO 0.08 0.78 0.14 -0.62 -1.06 0.00 0.00 177.43 176.76 1cww n GLU 46 N -4.22 0.45 0.00 0.81 -0.58 -1.08 -4.97 120.64 111.06 1cww n GLU 46 Ca 0.02 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1cww n GLU 46 Cb 0.30 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 1cww n GLU 46 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1cww n PRO 47 N -2.13 0.00 -2.31 3.49 -0.04 -1.26 -4.79 135.00 127.97 1cww n PRO 47 Ca 0.13 0.51 -0.03 0.00 -0.04 0.00 0.00 63.50 64.07 1cww n PRO 47 Cb 0.50 -1.32 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1cww n PRO 47 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1cww n THR 48 N -1.77 0.00 -0.20 0.52 -2.24 -1.26 -4.97 114.28 104.35 1cww n THR 48 Ca 0.00 -0.32 0.30 0.00 -2.27 0.00 0.00 64.05 61.77 1cww n THR 48 Cb 0.00 0.13 0.63 0.00 -2.10 0.00 0.00 70.33 69.00 1cww n THR 48 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1cww h GLN 49 N 0.00 0.00 0.00 -0.78 4.15 -1.94 0.18 115.11 116.73 1cww h GLN 49 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1cww h GLN 49 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1cww h GLN 49 CO 0.06 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 177.90 1cww n GLN 50 N -3.63 0.00 0.03 1.69 7.27 -1.26 0.09 117.38 121.57 1cww n GLN 50 Ca 0.22 0.56 0.12 0.00 0.07 0.00 0.00 57.00 57.97 1cww n GLN 50 Cb 1.27 -1.23 0.28 0.00 2.41 0.00 0.00 30.24 32.97 1cww n GLN 50 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1cww n GLN 51 N -1.68 0.14 0.05 3.69 -0.06 -1.02 -2.65 117.38 115.84 1cww n GLN 51 Ca 0.00 0.05 -0.10 0.00 -2.00 0.00 0.00 57.00 54.95 1cww n GLN 51 Cb 0.00 -1.60 -0.07 0.00 -4.06 0.00 0.00 30.24 24.51 1cww n GLN 51 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1cww h ARG 52 N 0.00 -0.20 -0.38 3.69 2.43 -0.50 -0.63 114.38 118.78 1cww h ARG 52 Ca 0.00 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 1cww h ARG 52 Cb 0.62 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1cww h ARG 52 CO 0.00 0.22 -0.21 0.00 -1.51 0.00 0.00 179.97 178.47 1cww h ALA 53 N -0.39 0.54 -0.06 2.80 0.00 -0.50 -2.40 119.26 119.25 1cww h ALA 53 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1cww h ALA 53 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1cww h ALA 53 CO 0.04 0.50 0.01 0.00 0.00 0.00 0.00 179.25 179.79 1cww h ALA 54 N 0.80 1.91 -0.33 0.00 0.00 -1.54 0.53 119.26 120.62 1cww h ALA 54 Ca 0.08 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1cww h ALA 54 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1cww h ALA 54 CO 0.06 0.07 -0.38 1.98 0.00 0.00 0.00 179.25 180.99 1cww h MET 55 N 0.08 0.78 0.29 0.00 -1.53 -0.73 0.18 114.93 114.00 1cww h MET 55 Ca 0.02 -0.39 -0.01 0.00 -3.44 0.00 0.00 59.70 55.87 1cww h MET 55 Cb 0.04 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.10 1cww h MET 55 CO -0.00 1.02 -0.14 1.25 0.14 0.00 0.00 176.91 179.18 1cww h LEU 56 N 0.64 -0.33 -1.82 3.39 5.85 -0.59 0.22 115.31 122.67 1cww h LEU 56 Ca 0.06 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1cww h LEU 56 Cb 0.93 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1cww h LEU 56 CO 0.09 -0.04 -0.01 0.40 -0.34 0.00 0.00 178.44 178.53 1cww h ILE 57 N -0.63 1.06 -0.12 4.05 2.04 -0.95 -1.71 117.51 121.26 1cww h ILE 57 Ca -0.04 -0.22 -0.18 0.00 1.00 0.00 0.00 64.86 65.42 1cww h ILE 57 Cb 0.45 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1cww h ILE 57 CO 0.07 0.07 -0.68 0.50 0.00 0.00 0.00 178.15 178.10 1cww h LYS 58 N 0.09 0.49 0.13 2.37 3.64 -0.36 -2.52 116.57 120.41 1cww h LYS 58 Ca 0.02 -0.37 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1cww h LYS 58 Cb 0.09 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1cww h LYS 58 CO 0.00 1.00 -0.10 0.52 -2.27 0.00 0.00 179.45 178.60 1cww h MET 59 N 0.35 -0.23 -0.67 1.90 2.86 -0.01 -2.40 114.93 116.73 1cww h MET 59 Ca -0.02 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1cww h MET 59 Cb 1.26 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 1cww h MET 59 CO 0.12 -0.15 0.40 0.82 1.06 0.00 0.00 176.91 179.16 1cww h ILE 60 N -0.24 1.19 -0.82 -1.22 5.03 -1.54 -1.76 117.51 118.15 1cww h ILE 60 Ca -0.00 -0.41 0.08 0.00 -0.12 0.00 0.00 64.86 64.41 1cww h ILE 60 Cb 0.22 0.24 -0.05 0.00 -3.03 0.00 0.00 36.82 34.20 1cww h ILE 60 CO -0.01 0.19 0.53 0.25 -0.68 0.00 0.00 178.15 178.44 1cww h LEU 61 N 0.91 0.76 -3.78 1.44 6.46 -0.98 -2.42 115.31 117.69 1cww h LEU 61 Ca 0.24 0.01 -0.56 0.00 -0.12 0.00 0.00 57.88 57.45 1cww h LEU 61 Cb -0.04 -0.15 -0.38 0.00 -0.73 0.00 0.00 40.66 39.36 1cww h LEU 61 CO -0.05 0.47 -0.38 1.17 -0.62 0.00 0.00 178.44 179.04 1cww n LYS 62 N -4.50 3.29 0.00 1.25 3.00 -0.74 -4.94 118.16 115.52 1cww n LYS 62 Ca 0.13 -3.91 0.00 0.00 -0.00 0.00 0.00 58.31 54.53 1cww n LYS 62 Cb 0.25 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.03 1cww n LYS 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1cww n LYS 63 N -0.78 0.00 -3.83 1.64 3.00 -0.75 -5.00 118.16 112.44 1cww n LYS 63 Ca 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.71 1cww n LYS 63 Cb 0.89 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.93 1cww n LYS 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1cww s ASP 64 N 1.00 -0.08 0.47 3.14 -4.77 -1.26 -2.95 116.67 112.22 1cww s ASP 64 Ca 0.00 -0.89 0.14 0.00 -3.30 0.00 0.00 52.55 48.49 1cww s ASP 64 Cb 0.00 0.76 1.08 0.00 -1.09 0.00 0.00 42.92 43.67 1cww s ASP 64 CO 0.00 -1.47 2.06 -0.55 0.70 0.00 0.00 175.17 175.91 1cww h ASN 65 N 2.00 0.08 -0.28 2.11 7.08 -1.88 0.27 115.58 124.96 1cww h ASN 65 Ca -0.27 -0.01 -0.01 0.00 -3.08 0.00 0.00 56.30 52.93 1cww h ASN 65 Cb 1.25 -0.02 -0.01 0.00 -2.08 0.00 0.00 38.32 37.45 1cww h ASN 65 CO 0.34 0.14 0.13 -0.78 -2.08 0.00 0.00 177.43 175.18 1cww h ASP 66 N 0.09 0.37 1.06 6.14 3.58 -1.96 0.39 116.42 126.09 1cww h ASP 66 Ca 0.02 -0.14 -0.12 0.00 0.42 0.00 0.00 57.03 57.22 1cww h ASP 66 Cb 0.13 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1cww h ASP 66 CO 0.01 0.41 -0.55 0.28 -2.88 0.00 0.00 179.24 176.50 1cww h SER 67 N 0.32 0.00 -0.39 2.28 0.02 -1.84 -2.45 113.55 111.48 1cww h SER 67 Ca 0.10 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1cww h SER 67 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1cww h SER 67 CO -0.01 0.55 -0.03 0.22 -1.14 0.00 0.00 176.83 176.42 1cww h TYR 68 N 0.00 0.79 0.00 3.45 3.20 0.09 0.66 116.97 125.16 1cww h TYR 68 Ca -0.01 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 1cww h TYR 68 Cb 1.23 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1cww h TYR 68 CO 0.00 0.81 -0.44 0.28 -1.64 0.00 0.00 178.16 177.17 1cww h VAL 69 N 0.53 1.27 0.07 1.81 2.07 -0.20 0.15 116.25 121.95 1cww h VAL 69 Ca 0.11 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1cww h VAL 69 Cb 0.52 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1cww h VAL 69 CO 0.03 0.43 -0.03 -1.28 0.02 0.00 0.00 177.57 176.74 1cww h SER 70 N 0.00 -0.08 -0.77 0.57 0.87 -0.89 0.22 113.55 113.47 1cww h SER 70 Ca -0.00 -0.42 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1cww h SER 70 Cb 0.80 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 1cww h SER 70 CO 0.06 0.40 0.51 0.15 -0.53 0.00 0.00 176.83 177.42 1cww h PHE 71 N -0.57 0.92 -0.24 2.24 3.57 0.49 0.65 116.94 124.00 1cww h PHE 71 Ca -0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1cww h PHE 71 Cb 0.49 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1cww h PHE 71 CO 0.08 0.54 0.12 -0.92 -2.23 0.00 0.00 178.31 175.90 1cww h TYR 72 N 0.96 0.23 -0.88 0.41 3.20 -0.55 -2.20 116.97 118.13 1cww h TYR 72 Ca 0.31 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.23 1cww h TYR 72 Cb 0.04 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1cww h TYR 72 CO -0.00 0.13 0.56 -0.97 -1.64 0.00 0.00 178.16 176.24 1cww h ASN 73 N 0.26 0.91 -0.30 -2.11 -0.73 0.94 -1.89 115.58 112.65 1cww h ASN 73 Ca 0.10 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 1cww h ASN 73 Cb 0.02 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 1cww h ASN 73 CO -0.06 0.61 0.07 0.00 -0.37 0.00 0.00 177.43 177.68 1cww h ALA 74 N 1.39 1.41 0.00 1.57 0.00 -0.41 -1.09 119.26 122.13 1cww h ALA 74 Ca 0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1cww h ALA 74 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1cww h ALA 74 CO -0.14 0.43 -0.24 -0.07 0.00 0.00 0.00 179.25 179.22 1cww h LEU 75 N 0.56 0.00 0.00 0.00 3.38 -0.76 -1.31 115.31 117.18 1cww h LEU 75 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1cww h LEU 75 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1cww h LEU 75 CO 0.00 0.24 -0.26 -0.07 0.09 0.00 0.00 178.44 178.45 1cww h LEU 76 N 0.00 0.00 -0.15 1.67 4.07 -0.96 -1.98 115.31 117.96 1cww h LEU 76 Ca -0.00 -0.07 -0.21 0.00 0.08 0.00 0.00 57.88 57.68 1cww h LEU 76 Cb 0.48 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1cww h LEU 76 CO 0.03 0.03 -0.96 -0.74 -1.08 0.00 0.00 178.44 175.73 1cww h HIS 77 N 0.00 0.18 -2.14 1.13 2.76 -0.56 -3.46 115.15 113.07 1cww h HIS 77 Ca 0.00 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1cww h HIS 77 Cb 0.79 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1cww h HIS 77 CO 0.00 1.00 0.00 0.39 -1.30 0.00 0.00 177.93 178.02 1cww n GLU 78 N -3.53 3.57 -1.74 5.26 -0.58 -1.07 -5.02 120.64 117.54 1cww n GLU 78 Ca -0.03 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.34 1cww n GLU 78 Cb 0.88 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.80 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 5.68 2.37 0.62 0.00 -1.26 -4.49 105.19 113.11 1cww n GLY 79 Ca 0.00 -2.44 -0.12 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.67 1.96 0.65 1.61 4.01 -0.76 -4.78 117.16 119.18 1cww n TYR 80 Ca 0.56 -2.14 0.11 0.00 -0.16 0.00 0.00 57.90 56.26 1cww n TYR 80 Cb 0.41 -0.28 0.44 0.00 -0.31 0.00 0.00 39.34 39.60 1cww n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1cww n LYS 81 N -0.65 0.06 -0.04 -0.72 2.85 -1.11 -2.70 118.16 115.85 1cww n LYS 81 Ca 0.26 0.20 -0.15 0.00 -1.05 0.00 0.00 58.31 57.57 1cww n LYS 81 Cb 0.89 -1.59 -0.13 0.00 -0.65 0.00 0.00 35.03 33.55 1cww n LYS 81 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1cww h ASP 82 N 0.00 0.10 -0.42 -5.58 1.82 -1.89 -0.20 116.42 110.24 1cww h ASP 82 Ca 0.00 -0.90 0.01 0.00 -0.39 0.00 0.00 57.03 55.74 1cww h ASP 82 Cb 0.40 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1cww h ASP 82 CO 0.00 0.99 0.28 0.25 -1.61 0.00 0.00 179.24 179.15 1cww h LEU 83 N -0.78 0.48 -1.49 2.28 7.12 -1.93 -0.93 115.31 120.06 1cww h LEU 83 Ca -0.02 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 57.93 1cww h LEU 83 Cb 1.03 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.03 1cww h LEU 83 CO 0.03 0.35 -0.14 0.00 -0.13 0.00 0.00 178.44 178.54 1cww h ALA 84 N 1.16 1.58 -0.22 1.25 0.00 -1.59 -1.72 119.26 119.72 1cww h ALA 84 Ca 0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1cww h ALA 84 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1cww h ALA 84 CO -0.04 0.30 -0.31 0.00 0.00 0.00 0.00 179.25 179.20 1cww h ALA 85 N 1.71 1.05 0.00 0.00 0.00 0.21 0.36 119.26 122.59 1cww h ALA 85 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1cww h ALA 85 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cww h ALA 85 CO 0.02 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.13 1cww n LEU 86 N -4.08 0.59 -0.00 0.00 4.77 -0.48 -1.78 117.00 116.02 1cww n LEU 86 Ca -0.01 0.70 0.04 0.00 -0.03 0.00 0.00 56.01 56.71 1cww n LEU 86 Cb 0.44 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1cww n LEU 86 CO 0.43 -0.73 -0.16 0.18 -1.33 0.00 0.00 177.39 175.78 1cww n LEU 87 N -2.21 0.31 -0.13 2.23 4.77 -0.30 -4.63 117.00 117.04 1cww n LEU 87 Ca 0.00 -0.38 0.19 0.00 -0.03 0.00 0.00 56.01 55.80 1cww n LEU 87 Cb 0.13 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.82 1cww n LEU 87 CO 0.15 0.08 1.21 -0.74 -1.33 0.00 0.00 177.39 176.75 1cww h HIS 88 N 0.00 0.28 -0.22 -1.77 2.76 0.46 0.28 115.15 116.94 1cww h HIS 88 Ca 0.00 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.08 1cww h HIS 88 Cb 0.25 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1cww h HIS 88 CO 0.00 0.10 -0.31 0.22 -1.30 0.00 0.00 177.93 176.64 1cww h ASP 89 N 0.23 0.45 0.49 3.26 1.82 -1.82 -2.93 116.42 117.92 1cww h ASP 89 Ca 0.36 -0.16 -0.21 0.00 -0.39 0.00 0.00 57.03 56.62 1cww h ASP 89 Cb 1.08 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1cww h ASP 89 CO -0.08 0.74 -0.92 1.23 -1.61 0.00 0.00 179.24 178.60 1cww h GLY 90 N 1.06 0.31 -5.41 -0.78 0.00 -0.81 -3.44 103.07 94.00 1cww h GLY 90 Ca 0.05 -0.57 -0.56 0.00 0.00 0.00 0.00 47.33 46.25 1cww h GLY 90 CO 0.06 0.50 1.04 -0.42 0.00 0.00 0.00 176.54 177.72 1cww s ILE 91 N -3.20 3.82 -0.00 2.60 1.09 -0.44 -4.69 121.20 120.38 1cww s ILE 91 Ca -0.04 0.98 -0.25 0.00 -1.10 0.00 0.00 60.65 60.24 1cww s ILE 91 Cb 0.09 -3.68 -0.18 0.00 -1.06 0.00 0.00 42.46 37.63 1cww s ILE 91 CO 0.85 -0.14 1.27 -0.65 -0.10 0.00 0.00 174.94 176.16 1cww h PRO 92 N 9.41 -0.14 -2.51 2.79 0.11 -1.84 -3.47 132.00 136.34 1cww h PRO 92 Ca -0.34 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1cww h PRO 92 Cb 1.15 0.03 -0.22 0.00 0.11 0.00 0.00 31.00 32.07 1cww h PRO 92 CO 0.97 0.24 -0.10 0.54 -0.21 0.00 0.00 178.00 179.44 1cww s VAL 93 N -4.50 0.01 -1.20 3.15 0.11 -1.26 -5.07 120.40 111.63 1cww s VAL 93 Ca -0.15 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 58.76 1cww s VAL 93 Cb 0.02 -0.74 0.22 0.00 -1.53 0.00 0.00 36.38 34.35 1cww s VAL 93 CO 0.62 -0.04 1.83 0.52 -3.33 0.00 0.00 175.10 174.70 1cww n VAL 94 N 2.31 4.96 1.03 2.04 0.31 -1.26 -4.58 118.33 123.14 1cww n VAL 94 Ca -0.15 -5.01 0.11 0.00 -0.01 0.00 0.00 64.34 59.27 1cww n VAL 94 Cb 0.56 -2.15 0.05 0.00 -0.91 0.00 0.00 33.84 31.39 1cww n VAL 94 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1cww n SER 95 N 2.37 1.17 -3.65 4.52 7.64 -1.26 -4.62 113.62 119.80 1cww n SER 95 Ca 0.40 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 1cww n SER 95 Cb 0.33 0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 1cww n SER 95 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1cww n SER 96 N -1.00 5.16 0.00 6.43 7.64 -1.26 -5.17 113.62 125.42 1cww n SER 96 Ca 0.07 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1cww n SER 96 Cb 0.37 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 1cww n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83