#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 -1.93 -3.76 1.61 -0.04 -1.26 -5.04 135.00 124.58 1cww n PRO -4 Ca 0.00 -1.88 -0.38 0.00 -0.04 0.00 0.00 63.50 61.21 1cww n PRO -4 Cb 0.00 -1.42 -0.12 0.00 -0.04 0.00 0.00 33.50 31.92 1cww n PRO -4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1cww s LEU -3 N 0.00 4.18 0.00 1.53 1.98 -1.26 -4.79 118.68 120.32 1cww s LEU -3 Ca 0.71 -1.02 0.00 0.00 -2.89 0.00 0.00 54.13 50.93 1cww s LEU -3 Cb -0.04 -1.87 0.00 0.00 0.66 0.00 0.00 46.19 44.94 1cww s LEU -3 CO 0.52 -0.29 0.00 0.61 -1.89 0.00 0.00 176.35 175.30 1cww n GLY -2 N 4.83 -0.85 1.81 7.98 0.00 -1.26 -5.14 105.19 112.55 1cww n GLY -2 Ca -0.13 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1cww n GLY -2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cww n SER -1 N -0.12 1.99 -4.70 1.61 7.64 -1.26 -4.84 113.62 113.94 1cww n SER -1 Ca 0.00 -2.13 -0.42 0.00 1.01 0.00 0.00 58.87 57.33 1cww n SER -1 Cb 0.00 0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 1cww n SER -1 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1cww s MET 1 N -2.88 4.19 0.44 1.43 1.75 -1.25 -4.28 119.30 118.69 1cww s MET 1 Ca 0.05 2.39 -0.25 0.00 -1.25 0.00 0.00 55.69 56.63 1cww s MET 1 Cb 0.00 -3.48 -0.08 0.00 2.84 0.00 0.00 34.83 34.11 1cww s MET 1 CO 0.03 -0.72 1.26 0.34 -0.65 0.00 0.00 175.02 175.28 1cww s ASP 2 N 2.14 6.17 0.29 1.11 2.15 -1.26 -4.82 116.67 122.45 1cww s ASP 2 Ca 0.74 2.54 -0.02 0.00 0.43 0.00 0.00 52.55 56.24 1cww s ASP 2 Cb -0.42 -2.63 0.43 0.00 -0.30 0.00 0.00 42.92 40.01 1cww s ASP 2 CO 0.33 -0.94 1.93 0.00 -0.17 0.00 0.00 175.17 176.32 1cww h ALA 3 N 2.36 1.36 -0.53 3.66 0.00 -1.96 0.61 119.26 124.75 1cww h ALA 3 Ca -0.50 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 1cww h ALA 3 Cb 1.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1cww h ALA 3 CO 0.61 0.54 0.06 0.87 0.00 0.00 0.00 179.25 181.34 1cww h LYS 4 N 1.03 0.89 0.11 0.00 6.56 -1.98 0.55 116.57 123.74 1cww h LYS 4 Ca 0.27 -0.25 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1cww h LYS 4 Cb -0.01 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 1cww h LYS 4 CO -0.05 0.88 -0.05 0.00 -2.06 0.00 0.00 179.45 178.17 1cww h ALA 5 N 0.97 -0.15 -0.71 3.86 0.00 -1.72 0.20 119.26 121.72 1cww h ALA 5 Ca 0.16 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1cww h ALA 5 Cb 0.44 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1cww h ALA 5 CO 0.01 -0.43 0.47 0.00 0.00 0.00 0.00 179.25 179.30 1cww h ARG 6 N -0.45 0.61 0.01 0.00 2.47 0.37 -2.09 114.38 115.29 1cww h ARG 6 Ca -0.02 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.56 1cww h ARG 6 Cb 0.37 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1cww h ARG 6 CO 0.02 0.40 -0.59 -0.91 0.56 0.00 0.00 179.97 179.46 1cww h ASN 7 N 0.63 0.02 -0.11 7.04 2.35 0.22 -2.84 115.58 122.89 1cww h ASN 7 Ca 0.32 -0.79 0.03 0.00 -0.55 0.00 0.00 56.30 55.31 1cww h ASN 7 Cb 0.42 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1cww h ASN 7 CO -0.11 1.23 0.30 0.00 -1.65 0.00 0.00 177.43 177.20 1cww h LEU 9 N 0.00 -0.07 0.00 0.00 5.85 -1.46 -3.33 115.31 116.31 1cww h LEU 9 Ca 0.05 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.55 1cww h LEU 9 Cb 0.65 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1cww h LEU 9 CO -0.00 0.33 -1.10 -0.07 -0.34 0.00 0.00 178.44 177.26 1cww h LEU 10 N -0.84 0.00 -1.51 2.25 3.38 -1.11 -3.31 115.31 114.17 1cww h LEU 10 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1cww h LEU 10 Cb 0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1cww h LEU 10 CO 0.01 1.00 0.19 -0.61 0.09 0.00 0.00 178.44 179.12 1cww h GLN 11 N 0.00 0.51 -1.74 1.13 4.15 0.13 -1.59 115.11 117.70 1cww h GLN 11 Ca -0.05 -0.05 -0.19 0.00 0.77 0.00 0.00 58.65 59.13 1cww h GLN 11 Cb 1.81 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 29.31 1cww h GLN 11 CO 0.12 0.40 0.23 0.72 -1.93 0.00 0.00 178.83 178.36 1cww n HIS 12 N -4.42 0.87 0.14 3.99 8.25 -1.24 -4.48 115.22 118.32 1cww n HIS 12 Ca 0.02 -1.56 0.19 0.00 -0.26 0.00 0.00 57.72 56.12 1cww n HIS 12 Cb 0.11 -0.80 0.78 0.00 1.12 0.00 0.00 29.99 31.20 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 1.36 0.00 0.00 -0.41 9.65 -1.49 0.86 114.38 124.35 1cww h ARG 13 Ca 0.17 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.03 1cww h ARG 13 Cb 0.96 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1cww h ARG 13 CO 0.44 0.00 -0.10 1.05 2.80 0.00 0.00 179.97 184.16 1cww h GLU 14 N 0.00 0.00 0.00 0.20 9.09 -1.87 -2.94 114.58 119.06 1cww h GLU 14 Ca 0.15 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.53 1cww h GLU 14 Cb 0.85 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.95 1cww h GLU 14 CO -0.00 0.10 -1.42 0.00 0.05 0.00 0.00 179.01 177.74 1cww n ALA 15 N -2.19 2.21 -1.00 1.06 0.00 0.17 -4.65 120.51 116.11 1cww n ALA 15 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1cww n ALA 15 Cb 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.90 0.00 -0.41 0.00 7.94 0.25 -1.63 117.00 121.26 1cww n LEU 16 Ca -0.04 0.28 0.38 0.00 -1.11 0.00 0.00 56.01 55.52 1cww n LEU 16 Cb 0.33 0.00 0.75 0.00 0.53 0.00 0.00 43.42 45.03 1cww n LEU 16 CO 0.18 0.00 1.35 -0.08 -1.11 0.00 0.00 177.39 177.73 1cww h GLU 17 N 0.00 0.03 0.04 1.96 4.57 -1.82 0.97 114.58 120.32 1cww h GLU 17 Ca 0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1cww h GLU 17 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1cww h GLU 17 CO 0.00 0.02 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.61 1cww h LYS 18 N 0.03 -0.05 0.00 1.92 3.11 -1.67 -3.34 116.57 116.56 1cww h LYS 18 Ca 0.65 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 58.14 1cww h LYS 18 Cb 2.54 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 33.72 1cww h LYS 18 CO -0.04 -0.00 -2.33 -0.25 -2.81 0.00 0.00 179.45 174.02 1cww n ASP 19 N -5.10 1.28 -4.68 4.20 8.00 -0.53 -4.94 116.55 114.78 1cww n ASP 19 Ca -0.07 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.94 1cww n ASP 19 Cb 0.06 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.47 2.98 0.08 0.53 1.01 0.32 -4.91 121.20 118.74 1cww s ILE 20 Ca -0.21 0.33 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 1cww s ILE 20 Cb 0.07 -3.21 0.06 0.00 0.01 0.00 0.00 42.46 39.39 1cww s ILE 20 CO 0.66 -0.01 0.58 -0.75 0.00 0.00 0.00 174.94 175.42 1cww s LYS 21 N 3.13 1.15 0.00 2.79 2.20 -1.26 -4.61 119.74 123.14 1cww s LYS 21 Ca 0.78 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1cww s LYS 21 Cb -0.41 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1cww s LYS 21 CO 0.34 -0.45 0.00 -2.37 -0.36 0.00 0.00 175.35 172.52 1cww n THR 22 N 0.14 0.00 0.00 3.43 5.66 -1.26 -4.56 114.28 117.69 1cww n THR 22 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1cww n THR 22 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.00 0.00 0.11 1.09 7.64 -1.26 -0.86 113.62 120.35 1cww n SER 23 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1cww n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -0.38 1.43 -1.99 -1.98 -1.98 116.97 112.08 1cww h TYR 24 Ca 0.00 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1cww h TYR 24 Cb 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1cww h TYR 24 CO 0.00 0.49 0.04 0.82 -0.00 0.00 0.00 178.16 179.51 1cww h ILE 25 N 0.00 1.19 0.00 -2.88 2.04 -1.24 -0.85 117.51 115.78 1cww h ILE 25 Ca -0.04 -0.74 -0.23 0.00 1.00 0.00 0.00 64.86 64.84 1cww h ILE 25 Cb 1.41 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1cww h ILE 25 CO 0.06 0.26 -1.30 -0.03 0.00 0.00 0.00 178.15 177.14 1cww h MET 26 N 0.55 0.00 -0.81 2.37 4.05 -1.55 -3.22 114.93 116.33 1cww h MET 26 Ca 0.12 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1cww h MET 26 Cb 0.29 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 1cww h MET 26 CO 0.01 0.68 0.43 0.22 0.23 0.00 0.00 176.91 178.47 1cww h ASP 27 N 0.00 1.03 1.19 1.39 1.82 -0.53 -0.32 116.42 120.99 1cww h ASP 27 Ca -0.14 -0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.34 1cww h ASP 27 Cb 1.82 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 41.56 1cww h ASP 27 CO 0.10 0.84 -0.25 0.45 -1.61 0.00 0.00 179.24 178.77 1cww h HIS 28 N 1.13 0.00 0.12 0.28 3.86 -1.30 -2.53 115.15 116.72 1cww h HIS 28 Ca 0.28 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.22 1cww h HIS 28 Cb 0.06 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.53 1cww h HIS 28 CO 0.01 0.25 -1.23 0.52 0.86 0.00 0.00 177.93 178.34 1cww h MET 29 N 0.00 0.28 -0.06 2.45 2.86 -1.30 -1.79 114.93 117.38 1cww h MET 29 Ca -0.00 -0.47 -0.05 0.00 -2.06 0.00 0.00 59.70 57.11 1cww h MET 29 Cb 0.92 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1cww h MET 29 CO 0.03 1.22 -0.18 0.82 1.06 0.00 0.00 176.91 179.86 1cww h ILE 30 N 0.08 1.44 0.00 -1.22 2.04 -1.07 -2.09 117.51 116.70 1cww h ILE 30 Ca -0.13 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.10 1cww h ILE 30 Cb 1.95 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 40.36 1cww h ILE 30 CO 0.20 0.44 -0.22 0.28 0.00 0.00 0.00 178.15 178.85 1cww h SER 31 N -0.30 0.00 0.49 1.72 0.02 -1.57 -0.65 113.55 113.25 1cww h SER 31 Ca -0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1cww h SER 31 Cb 0.81 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 1cww h SER 31 CO 0.04 0.22 -0.35 -0.78 -1.14 0.00 0.00 176.83 174.82 1cww h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -1.20 -3.47 116.42 118.41 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 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1cww h ASP 32 CO 0.03 0.35 0.00 0.61 -2.88 0.00 0.00 179.24 177.35 1cww n GLY 33 N -0.30 0.54 0.13 -0.78 0.00 -0.25 -4.93 105.19 99.59 1cww n GLY 33 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.22 1.61 -1.00 -1.62 -3.43 116.94 109.28 1cww h PHE 34 Ca 0.00 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.11 1cww h PHE 34 Cb 0.00 0.00 -0.32 0.00 3.61 0.00 0.00 35.95 39.24 1cww h PHE 34 CO 0.00 0.00 -0.83 -0.51 -1.61 0.00 0.00 178.31 175.36 1cww s LEU 35 N -5.33 2.33 0.59 1.54 1.02 -0.84 -4.98 118.68 113.00 1cww s LEU 35 Ca 0.02 -0.54 -0.01 0.00 0.02 0.00 0.00 54.13 53.62 1cww s LEU 35 Cb 0.09 -1.53 0.04 0.00 0.02 0.00 0.00 46.19 44.82 1cww s LEU 35 CO 0.75 0.06 0.84 0.42 0.02 0.00 0.00 176.35 178.43 1cww s THR 36 N 0.97 2.63 0.41 5.49 -4.23 -1.26 -4.22 115.64 115.43 1cww s THR 36 Ca -0.03 -0.54 0.09 0.00 -1.18 0.00 0.00 61.69 60.04 1cww s THR 36 Cb -0.15 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 70.96 1cww s THR 36 CO -0.04 -0.02 2.00 0.40 -0.54 0.00 0.00 174.62 176.43 1cww h ILE 37 N -0.10 1.00 -0.33 2.99 2.04 -1.98 0.36 117.51 121.50 1cww h ILE 37 Ca -0.43 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.10 1cww h ILE 37 Cb 1.30 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1cww h ILE 37 CO 0.55 0.10 -0.36 -1.28 0.00 0.00 0.00 178.15 177.15 1cww h SER 38 N 0.54 0.81 -0.10 1.72 0.87 -1.99 0.44 113.55 115.85 1cww h SER 38 Ca 0.24 -0.35 -0.16 0.00 -1.23 0.00 0.00 61.79 60.28 1cww h SER 38 Cb 0.25 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1cww h SER 38 CO -0.07 1.09 -0.51 -0.33 -0.53 0.00 0.00 176.83 176.48 1cww h GLU 39 N 0.64 0.68 -0.23 2.24 5.08 -1.50 -3.07 114.58 118.42 1cww h GLU 39 Ca 0.06 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1cww h GLU 39 Cb 0.91 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1cww h GLU 39 CO 0.08 1.03 -0.06 1.49 -1.00 0.00 0.00 179.01 180.55 1cww h GLU 40 N 0.53 0.45 -0.33 2.33 4.81 -0.14 -3.26 114.58 118.97 1cww h GLU 40 Ca 0.02 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1cww h GLU 40 Cb 1.07 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 1cww h GLU 40 CO 0.10 0.68 -0.42 1.49 -0.73 0.00 0.00 179.01 180.14 1cww h GLU 41 N 0.19 -0.27 -0.59 1.92 4.81 -0.02 0.87 114.58 121.50 1cww h GLU 41 Ca 0.06 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1cww h GLU 41 Cb 0.52 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1cww h GLU 41 CO 0.02 -0.18 0.32 0.87 -0.73 0.00 0.00 179.01 179.31 1cww h LYS 42 N -0.28 0.59 -0.16 1.92 1.57 -1.65 0.44 116.57 119.00 1cww h LYS 42 Ca 0.06 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1cww h LYS 42 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1cww h LYS 42 CO -0.46 0.39 0.09 0.28 -0.57 0.00 0.00 179.45 179.18 1cww h VAL 43 N 0.61 1.01 0.00 0.50 2.07 -1.49 -2.34 116.25 116.60 1cww h VAL 43 Ca 0.26 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 1cww h VAL 43 Cb 0.14 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1cww h VAL 43 CO -0.16 0.03 -0.14 0.08 0.02 0.00 0.00 177.57 177.40 1cww h ARG 44 N 0.18 0.00 -0.22 1.57 0.11 -0.47 -3.15 114.38 112.40 1cww h ARG 44 Ca 0.06 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.03 1cww h ARG 44 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1cww h ARG 44 CO -0.04 0.14 -0.35 -0.91 0.10 0.00 0.00 179.97 178.91 1cww h ASN 45 N 0.00 0.50 -4.00 0.08 -0.26 0.40 -3.44 115.58 108.86 1cww h ASN 45 Ca -0.00 -0.20 -0.53 0.00 -0.56 0.00 0.00 56.30 55.01 1cww h ASN 45 Cb 0.79 -0.14 0.10 0.00 -1.06 0.00 0.00 38.32 38.01 1cww h ASN 45 CO 0.02 0.81 0.58 -1.61 -1.06 0.00 0.00 177.43 176.17 1cww s GLU 46 N -4.31 3.61 0.16 0.81 0.41 -1.04 -4.96 118.70 113.38 1cww s GLU 46 Ca -0.07 2.09 0.09 0.00 -0.41 0.00 0.00 54.97 56.67 1cww s GLU 46 Cb 0.13 -2.48 -0.13 0.00 -1.78 0.00 0.00 34.13 29.87 1cww s GLU 46 CO 0.80 -0.76 1.33 -1.00 -0.49 0.00 0.00 175.26 175.14 1cww h PRO 47 N 2.07 0.00 -4.20 0.39 0.13 -1.89 -3.45 132.00 125.05 1cww h PRO 47 Ca -0.50 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 1cww h PRO 47 Cb 1.27 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 1cww h PRO 47 CO 0.60 0.89 -0.40 0.95 -0.23 0.00 0.00 178.00 179.80 1cww s THR 48 N -2.80 0.00 0.50 1.56 -4.23 -1.26 -5.01 115.64 104.40 1cww s THR 48 Ca 0.01 -1.75 0.45 0.00 -1.18 0.00 0.00 61.69 59.22 1cww s THR 48 Cb 0.10 -2.38 0.67 0.00 1.34 0.00 0.00 72.50 72.22 1cww s THR 48 CO 0.80 0.00 1.43 1.67 -0.54 0.00 0.00 174.62 177.98 1cww n GLN 49 N -0.33 -0.00 0.00 3.99 -0.06 -1.26 -1.48 117.38 118.24 1cww n GLN 49 Ca 0.01 1.01 0.00 0.00 -2.00 0.00 0.00 57.00 56.01 1cww n GLN 49 Cb 0.64 -2.29 0.00 0.00 -4.06 0.00 0.00 30.24 24.53 1cww n GLN 49 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1cww n GLN 50 N -3.82 0.00 0.00 3.69 7.27 -1.26 -1.64 117.38 121.62 1cww n GLN 50 Ca 0.41 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.61 1cww n GLN 50 Cb 1.82 -0.39 0.39 0.00 2.41 0.00 0.00 30.24 34.47 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 0.00 1.30 0.01 3.69 6.02 -1.19 -2.48 117.38 124.72 1cww n GLN 51 Ca 0.00 -0.82 -0.07 0.00 -0.01 0.00 0.00 57.00 56.11 1cww n GLN 51 Cb 0.00 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 1cww n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1cww h ARG 52 N 2.00 -0.13 -0.21 -1.09 2.43 -1.31 -1.59 114.38 114.48 1cww h ARG 52 Ca 0.00 0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1cww h ARG 52 Cb 0.56 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1cww h ARG 52 CO 0.00 0.19 -0.43 0.00 -1.51 0.00 0.00 179.97 178.22 1cww h ALA 53 N -0.66 0.34 -0.55 2.80 0.00 -1.47 -2.81 119.26 116.91 1cww h ALA 53 Ca -0.01 -0.47 0.11 0.00 0.00 0.00 0.00 54.91 54.54 1cww h ALA 53 Cb 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1cww h ALA 53 CO 0.02 0.46 0.38 0.00 0.00 0.00 0.00 179.25 180.11 1cww h ALA 54 N 0.61 2.14 -0.29 0.00 0.00 -1.41 0.46 119.26 120.76 1cww h ALA 54 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1cww h ALA 54 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1cww h ALA 54 CO 0.10 -0.27 -0.18 1.98 0.00 0.00 0.00 179.25 180.88 1cww h MET 55 N 0.29 0.64 0.02 0.00 -1.53 -1.06 0.38 114.93 113.65 1cww h MET 55 Ca 0.26 -0.29 -0.00 0.00 -3.44 0.00 0.00 59.70 56.22 1cww h MET 55 Cb 0.64 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.68 1cww h MET 55 CO -0.06 0.88 -0.01 1.25 0.14 0.00 0.00 176.91 179.12 1cww h LEU 56 N 0.38 -0.02 -1.79 3.39 5.85 -0.90 0.45 115.31 122.67 1cww h LEU 56 Ca 0.06 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1cww h LEU 56 Cb 0.71 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1cww h LEU 56 CO 0.05 0.03 -0.03 0.40 -0.34 0.00 0.00 178.44 178.55 1cww h ILE 57 N -0.06 0.08 0.13 4.05 1.08 -0.92 -2.25 117.51 119.61 1cww h ILE 57 Ca -0.00 -0.45 -0.27 0.00 -0.39 0.00 0.00 64.86 63.74 1cww h ILE 57 Cb 0.06 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1cww h ILE 57 CO 0.00 0.03 -1.23 0.50 -0.69 0.00 0.00 178.15 176.75 1cww h LYS 58 N 0.00 0.27 -0.12 2.37 3.11 0.62 -2.53 116.57 120.30 1cww h LYS 58 Ca -0.00 -0.46 0.01 0.00 -2.81 0.00 0.00 60.65 57.39 1cww h LYS 58 Cb 0.41 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.80 1cww h LYS 58 CO 0.00 1.22 0.04 0.52 -2.81 0.00 0.00 179.45 178.43 1cww h MET 59 N 0.08 0.10 -0.86 1.90 0.00 -0.33 -1.79 114.93 114.03 1cww h MET 59 Ca -0.13 -0.01 0.04 0.00 0.00 0.00 0.00 59.70 59.60 1cww h MET 59 Cb 1.96 -0.02 -0.05 0.00 0.00 0.00 0.00 31.60 33.49 1cww h MET 59 CO 0.20 0.07 0.56 0.82 0.00 0.00 0.00 176.91 178.56 1cww h ILE 60 N 0.11 1.12 -0.20 -1.22 2.04 -1.57 0.83 117.51 118.62 1cww h ILE 60 Ca 0.05 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.61 1cww h ILE 60 Cb 0.02 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1cww h ILE 60 CO -0.05 0.19 0.21 0.25 0.00 0.00 0.00 178.15 178.75 1cww h LEU 61 N 1.03 0.00 -3.55 1.44 6.46 -0.88 -0.86 115.31 118.96 1cww h LEU 61 Ca 0.35 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.75 1cww h LEU 61 Cb 0.08 0.00 -0.29 0.00 -0.73 0.00 0.00 40.66 39.72 1cww h LEU 61 CO -0.11 0.00 -0.73 1.17 -0.62 0.00 0.00 178.44 178.15 1cww n LYS 62 N -3.89 2.83 -0.64 1.25 0.00 0.22 -5.03 118.16 112.89 1cww n LYS 62 Ca 0.02 -3.83 0.00 0.00 0.00 0.00 0.00 58.31 54.50 1cww n LYS 62 Cb 0.34 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.36 1cww n LYS 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1cww n LYS 63 N -0.82 2.15 -4.63 1.64 5.02 -0.33 -5.01 118.16 116.19 1cww n LYS 63 Ca 0.34 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.34 1cww n LYS 63 Cb 0.88 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.79 1cww n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cww s ASP 64 N 0.36 3.57 0.63 4.39 1.11 -1.26 -3.95 116.67 121.52 1cww s ASP 64 Ca 0.00 -1.52 0.42 0.00 0.18 0.00 0.00 52.55 51.63 1cww s ASP 64 Cb 0.00 0.13 2.26 0.00 1.07 0.00 0.00 42.92 46.38 1cww s ASP 64 CO 0.00 -0.70 2.29 -0.55 1.18 0.00 0.00 175.17 177.39 1cww h ASN 65 N 1.67 0.00 0.22 0.27 7.08 -1.89 0.32 115.58 123.25 1cww h ASN 65 Ca -0.42 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.79 1cww h ASN 65 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 1cww h ASN 65 CO 0.73 0.00 -0.10 0.44 -2.08 0.00 0.00 177.43 176.42 1cww h ASP 66 N 0.00 -0.24 0.94 6.14 5.19 -1.94 0.60 116.42 127.10 1cww h ASP 66 Ca 0.00 -0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.23 1cww h ASP 66 Cb 0.04 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1cww h ASP 66 CO 0.00 -0.13 -0.68 0.28 -3.12 0.00 0.00 179.24 175.59 1cww h SER 67 N -0.34 0.00 -0.41 6.45 0.02 -1.76 -2.64 113.55 114.87 1cww h SER 67 Ca -0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1cww h SER 67 Cb 0.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1cww h SER 67 CO 0.05 0.68 0.12 0.22 -1.14 0.00 0.00 176.83 176.76 1cww h TYR 68 N 0.00 0.67 -0.18 3.45 3.20 -0.57 0.89 116.97 124.43 1cww h TYR 68 Ca -0.01 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 1cww h TYR 68 Cb 1.34 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1cww h TYR 68 CO 0.00 0.63 -0.38 0.28 -1.64 0.00 0.00 178.16 177.05 1cww h VAL 69 N 0.52 1.30 -0.23 1.81 2.07 0.21 0.19 116.25 122.12 1cww h VAL 69 Ca 0.13 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1cww h VAL 69 Cb 0.28 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1cww h VAL 69 CO -0.00 0.46 -0.02 -1.28 0.02 0.00 0.00 177.57 176.74 1cww h SER 70 N 0.33 0.41 -0.70 0.57 0.87 -1.03 0.31 113.55 114.31 1cww h SER 70 Ca 0.03 -0.33 0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1cww h SER 70 Cb 0.82 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 1cww h SER 70 CO 0.07 0.65 0.45 0.15 -0.53 0.00 0.00 176.83 177.62 1cww h PHE 71 N 0.17 0.85 -0.27 2.24 3.57 0.11 0.10 116.94 123.71 1cww h PHE 71 Ca 0.06 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1cww h PHE 71 Cb 0.45 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1cww h PHE 71 CO 0.04 0.52 0.08 -0.92 -2.23 0.00 0.00 178.31 175.80 1cww h TYR 72 N 0.91 0.15 -0.96 0.41 3.20 -0.34 -1.41 116.97 118.92 1cww h TYR 72 Ca 0.27 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.22 1cww h TYR 72 Cb -0.05 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 1cww h TYR 72 CO -0.03 0.06 0.62 -0.97 -1.64 0.00 0.00 178.16 176.20 1cww h ASN 73 N 0.20 0.98 -0.14 -2.11 -0.73 0.54 -1.27 115.58 113.05 1cww h ASN 73 Ca 0.12 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.22 1cww h ASN 73 Cb 0.10 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 1cww h ASN 73 CO -0.13 0.63 -0.16 0.00 -0.37 0.00 0.00 177.43 177.40 1cww h ALA 74 N 1.48 1.17 0.00 1.57 0.00 -0.01 -1.07 119.26 122.40 1cww h ALA 74 Ca 0.41 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1cww h ALA 74 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1cww h ALA 74 CO -0.16 0.53 -0.22 -0.07 0.00 0.00 0.00 179.25 179.33 1cww h LEU 75 N 0.48 0.00 0.00 0.00 3.38 -0.21 -0.90 115.31 118.07 1cww h LEU 75 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1cww h LEU 75 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1cww h LEU 75 CO 0.04 0.22 -0.48 -0.07 0.09 0.00 0.00 178.44 178.23 1cww h LEU 76 N 0.00 0.00 -0.16 1.67 4.07 -0.93 -1.67 115.31 118.29 1cww h LEU 76 Ca -0.00 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 1cww h LEU 76 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1cww h LEU 76 CO 0.03 0.02 -0.30 -0.74 -1.08 0.00 0.00 178.44 176.37 1cww h HIS 77 N 0.00 0.60 -0.01 1.13 2.76 0.06 -3.45 115.15 116.23 1cww h HIS 77 Ca 0.00 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1cww h HIS 77 Cb 0.93 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.78 1cww h HIS 77 CO 0.00 0.93 0.00 0.39 -1.30 0.00 0.00 177.93 177.95 1cww n GLU 78 N -4.38 3.37 -2.60 5.26 -0.58 -0.92 -5.02 120.64 115.77 1cww n GLU 78 Ca -0.06 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.41 1cww n GLU 78 Cb 0.47 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.33 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 5.86 2.60 0.62 0.00 -1.26 -4.77 105.19 113.24 1cww n GLY 79 Ca 0.00 -2.76 -0.14 0.00 0.00 0.00 0.00 46.02 43.13 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 -0.42 1.88 0.62 1.61 4.01 -0.63 -4.84 117.16 119.38 1cww n TYR 80 Ca 0.37 -2.78 0.12 0.00 -0.16 0.00 0.00 57.90 55.45 1cww n TYR 80 Cb 0.60 -0.28 0.46 0.00 -0.31 0.00 0.00 39.34 39.80 1cww n TYR 80 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1cww n LYS 81 N -0.27 0.12 -0.01 -0.72 5.02 -1.20 -2.70 118.16 118.40 1cww n LYS 81 Ca 0.19 0.23 -0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1cww n LYS 81 Cb 0.78 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 1cww n LYS 81 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1cww h ASP 82 N 0.00 -0.05 -0.62 4.39 3.58 -1.91 0.87 116.42 122.68 1cww h ASP 82 Ca 0.00 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.87 1cww h ASP 82 Cb 0.47 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 1cww h ASP 82 CO 0.00 0.59 0.39 0.25 -2.88 0.00 0.00 179.24 177.59 1cww h LEU 83 N -0.73 0.73 -1.09 2.28 7.12 -1.93 -1.38 115.31 120.31 1cww h LEU 83 Ca -0.01 -0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.01 1cww h LEU 83 Cb 0.63 -0.18 -0.06 0.00 -0.53 0.00 0.00 40.66 40.52 1cww h LEU 83 CO 0.01 0.55 0.62 0.00 -0.13 0.00 0.00 178.44 179.49 1cww h ALA 84 N 1.21 1.42 -0.53 1.25 0.00 -1.52 -1.35 119.26 119.73 1cww h ALA 84 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1cww h ALA 84 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1cww h ALA 84 CO -0.04 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.71 1cww h ALA 85 N 1.46 1.05 0.00 0.00 0.00 0.19 0.24 119.26 122.20 1cww h ALA 85 Ca 0.38 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cww h ALA 85 Cb 0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cww h ALA 85 CO -0.13 0.60 -0.02 -0.07 0.00 0.00 0.00 179.25 179.63 1cww h LEU 86 N 0.82 0.00 -1.44 0.00 3.38 -0.24 -1.16 115.31 116.67 1cww h LEU 86 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1cww h LEU 86 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1cww h LEU 86 CO 0.02 0.02 -0.08 0.18 0.09 0.00 0.00 178.44 178.67 1cww n LEU 87 N -3.62 2.14 0.24 1.67 4.32 -0.44 -4.48 117.00 116.83 1cww n LEU 87 Ca -0.03 -0.94 0.07 0.00 -0.02 0.00 0.00 56.01 55.09 1cww n LEU 87 Cb 0.11 0.00 0.57 0.00 -1.62 0.00 0.00 43.42 42.48 1cww n LEU 87 CO 0.26 0.39 0.98 -0.74 -1.22 0.00 0.00 177.39 177.06 1cww h HIS 88 N 2.78 0.00 0.00 -1.77 2.76 0.74 0.53 115.15 120.19 1cww h HIS 88 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1cww h HIS 88 Cb 0.63 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 1cww h HIS 88 CO 0.00 0.10 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.25 1cww h ASP 89 N 0.00 0.00 0.23 3.26 3.32 -1.79 -2.18 116.42 119.26 1cww h ASP 89 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cww h ASP 89 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1cww h ASP 89 CO 0.01 0.04 -1.41 0.61 -1.72 0.00 0.00 179.24 176.77 1cww n GLY 90 N -0.19 -1.11 3.63 2.75 0.00 0.08 -4.86 105.19 105.50 1cww n GLY 90 Ca -0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.30 4.63 0.00 -0.61 -1.09 -0.61 -4.72 121.20 115.50 1cww s ILE 91 Ca -0.01 1.59 0.00 0.00 -2.23 0.00 0.00 60.65 60.01 1cww s ILE 91 Cb 0.14 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1cww s ILE 91 CO 0.86 -0.36 0.30 -2.65 -1.23 0.00 0.00 174.94 171.86 1cww n PRO 92 N 6.56 0.00 -3.98 2.79 -0.02 -1.26 -4.94 135.00 134.16 1cww n PRO 92 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.48 1cww n PRO 92 Cb 0.47 -0.79 -0.08 0.00 -0.02 0.00 0.00 33.50 33.08 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 -0.60 0.13 -0.06 -1.45 -7.23 -1.26 -5.12 120.40 104.82 1cww s VAL 93 Ca 0.00 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1cww s VAL 93 Cb 0.00 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.35 1cww s VAL 93 CO 0.00 -0.61 -0.03 0.68 -0.31 0.00 0.00 175.10 174.83 1cww s VAL 94 N -3.93 0.51 -1.13 1.32 -7.23 -1.26 -5.07 120.40 103.61 1cww s VAL 94 Ca 0.11 -0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 60.00 1cww s VAL 94 Cb 0.06 -0.58 -0.09 0.00 0.56 0.00 0.00 36.38 36.33 1cww s VAL 94 CO -0.06 0.24 1.95 -0.44 -0.31 0.00 0.00 175.10 176.49 1cww s SER 95 N 1.31 4.94 -0.58 4.85 0.01 -1.26 -4.37 113.70 118.61 1cww s SER 95 Ca -0.05 -1.46 -0.23 0.00 1.31 0.00 0.00 55.95 55.53 1cww s SER 95 Cb -0.14 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.54 1cww s SER 95 CO -0.02 -3.13 0.64 -1.54 0.41 0.00 0.00 173.24 169.60 1cww n SER 96 N 14.67 -5.65 -0.68 2.44 3.41 -1.26 -5.34 113.62 121.21 1cww n SER 96 Ca 0.44 -0.34 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 1cww n SER 96 Cb 0.47 -2.20 0.35 0.00 -0.26 0.00 0.00 64.21 62.56 1cww n SER 96 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64