#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 -0.59 -3.72 1.61 -0.02 -1.26 -5.10 135.00 125.91 1cww n PRO -4 Ca 0.00 -0.46 -0.16 0.00 -2.02 0.00 0.00 63.50 60.86 1cww n PRO -4 Cb 0.00 -0.34 -0.16 0.00 -0.02 0.00 0.00 33.50 32.99 1cww n PRO -4 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1cww s LEU -3 N 0.00 0.55 0.00 2.45 0.20 -1.26 -5.03 118.68 115.59 1cww s LEU -3 Ca 0.17 0.19 0.00 0.00 0.69 0.00 0.00 54.13 55.19 1cww s LEU -3 Cb -0.01 0.13 0.00 0.00 -0.43 0.00 0.00 46.19 45.88 1cww s LEU -3 CO 0.12 -0.18 0.53 0.61 -0.29 0.00 0.00 176.35 177.14 1cww n GLY -2 N 4.64 -1.06 3.57 7.98 0.00 -1.26 -5.06 105.19 113.99 1cww n GLY -2 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.24 -0.21 0.06 1.61 1.04 -1.26 -4.79 113.70 109.91 1cww s SER -1 Ca 0.00 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.85 1cww s SER -1 Cb 0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1cww s SER -1 CO 0.00 -1.10 0.11 -0.32 0.98 0.00 0.00 173.24 172.90 1cww s MET 1 N -3.91 3.02 0.00 4.02 1.75 -1.11 -1.44 119.30 121.63 1cww s MET 1 Ca 0.12 -0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 53.65 1cww s MET 1 Cb -0.01 -2.81 -0.06 0.00 2.84 0.00 0.00 34.83 34.79 1cww s MET 1 CO 0.01 0.59 1.52 0.34 -0.65 0.00 0.00 175.02 176.83 1cww s ASP 2 N -2.32 6.74 0.36 1.11 2.15 -1.26 -4.79 116.67 118.66 1cww s ASP 2 Ca 0.30 2.23 0.03 0.00 0.43 0.00 0.00 52.55 55.54 1cww s ASP 2 Cb -0.12 -2.56 0.67 0.00 -0.30 0.00 0.00 42.92 40.61 1cww s ASP 2 CO 0.22 -0.81 1.99 0.00 -0.17 0.00 0.00 175.17 176.40 1cww h ALA 3 N 8.32 1.54 -0.13 3.66 0.00 -1.97 0.69 119.26 131.37 1cww h ALA 3 Ca -0.39 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1cww h ALA 3 Cb 1.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1cww h ALA 3 CO 0.92 0.39 -0.28 -0.22 0.00 0.00 0.00 179.25 180.06 1cww h LYS 4 N 0.73 0.24 0.12 0.00 3.11 -1.95 0.20 116.57 119.04 1cww h LYS 4 Ca 0.19 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 1cww h LYS 4 Cb -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1cww h LYS 4 CO -0.03 0.51 -0.06 0.00 -2.81 0.00 0.00 179.45 177.06 1cww h ALA 5 N 1.49 -0.16 -0.25 5.00 0.00 -1.38 -2.50 119.26 121.45 1cww h ALA 5 Ca 0.03 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.87 1cww h ALA 5 Cb 0.62 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1cww h ALA 5 CO 0.04 -0.17 0.18 -0.09 0.00 0.00 0.00 179.25 179.21 1cww h ARG 6 N -1.00 0.00 0.04 0.00 2.43 0.36 -2.24 114.38 113.96 1cww h ARG 6 Ca -0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1cww h ARG 6 Cb 0.34 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1cww h ARG 6 CO 0.03 0.00 -0.23 -0.91 -1.51 0.00 0.00 179.97 177.35 1cww h ASN 7 N 0.00 0.12 0.00 -3.80 2.35 -0.69 -2.12 115.58 111.44 1cww h ASN 7 Ca 0.12 -0.98 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 1cww h ASN 7 Cb 0.49 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1cww h ASN 7 CO -0.00 1.11 0.17 0.00 -1.65 0.00 0.00 177.43 177.06 1cww h LEU 9 N 0.00 0.00 -1.09 0.00 5.85 -1.39 -3.30 115.31 115.37 1cww h LEU 9 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1cww h LEU 9 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1cww h LEU 9 CO 0.00 0.23 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.87 1cww h LEU 10 N -0.45 0.13 -1.61 2.25 3.38 -0.69 -2.99 115.31 115.33 1cww h LEU 10 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1cww h LEU 10 Cb 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1cww h LEU 10 CO 0.00 0.51 0.00 -0.61 0.09 0.00 0.00 178.44 178.43 1cww h GLN 11 N 0.11 0.25 -2.02 1.13 4.15 0.13 -2.45 115.11 116.40 1cww h GLN 11 Ca 0.01 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1cww h GLN 11 Cb 0.74 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1cww h GLN 11 CO 0.06 0.27 -0.13 0.72 -1.93 0.00 0.00 178.83 177.82 1cww n HIS 12 N -4.39 0.00 0.28 3.99 8.25 -1.13 -4.36 115.22 117.86 1cww n HIS 12 Ca -0.00 -1.13 0.14 0.00 -0.26 0.00 0.00 57.72 56.47 1cww n HIS 12 Cb 0.17 -0.89 0.76 0.00 1.12 0.00 0.00 29.99 31.15 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 1.91 0.00 0.00 -0.41 9.65 -1.65 0.53 114.38 124.41 1cww h ARG 13 Ca 0.07 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1cww h ARG 13 Cb 1.14 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1cww h ARG 13 CO 0.09 0.00 -0.06 0.93 2.80 0.00 0.00 179.97 183.74 1cww h GLU 14 N 0.00 0.00 0.00 0.20 3.07 -1.88 -3.19 114.58 112.78 1cww h GLU 14 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1cww h GLU 14 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1cww h GLU 14 CO 0.00 0.06 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 1cww n ALA 15 N -2.48 0.84 -0.94 3.43 0.00 0.86 -4.78 120.51 117.44 1cww n ALA 15 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1cww n ALA 15 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.09 0.00 0.27 0.00 7.94 0.15 -0.15 117.00 125.11 1cww n LEU 16 Ca 0.00 0.53 0.18 0.00 -1.11 0.00 0.00 56.01 55.61 1cww n LEU 16 Cb 0.12 -0.03 0.78 0.00 0.53 0.00 0.00 43.42 44.82 1cww n LEU 16 CO 0.00 -0.03 1.01 -0.08 -1.11 0.00 0.00 177.39 177.18 1cww h GLU 17 N 0.00 0.00 0.00 1.96 4.22 -1.87 0.49 114.58 119.38 1cww h GLU 17 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1cww h GLU 17 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cww h GLU 17 CO 0.00 0.00 -0.08 -0.22 -2.18 0.00 0.00 179.01 176.53 1cww h LYS 18 N 0.00 0.00 0.00 1.92 3.64 -1.80 -3.39 116.57 116.94 1cww h LYS 18 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cww h LYS 18 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1cww h LYS 18 CO 0.00 0.08 -0.53 -3.47 -2.27 0.00 0.00 179.45 173.26 1cww n ASP 19 N -3.14 2.33 -4.52 4.20 2.03 0.78 -5.01 116.55 113.21 1cww n ASP 19 Ca 0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.91 1cww n ASP 19 Cb 0.48 0.10 -0.06 0.00 -0.72 0.00 0.00 41.12 40.93 1cww n ASP 19 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1cww n ILE 20 N -1.75 0.08 -4.16 5.18 5.41 0.17 -4.92 119.36 119.37 1cww n ILE 20 Ca 0.00 -0.48 -0.23 0.00 1.00 0.00 0.00 62.75 63.04 1cww n ILE 20 Cb 0.27 -2.13 -0.06 0.00 -0.71 0.00 0.00 39.64 37.01 1cww n ILE 20 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1cww s LYS 21 N 7.45 2.72 0.00 0.38 2.47 -1.26 -4.84 119.74 126.65 1cww s LYS 21 Ca 1.07 -1.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.37 1cww s LYS 21 Cb -0.54 -2.46 0.00 0.00 -1.46 0.00 0.00 37.83 33.37 1cww s LYS 21 CO 0.37 0.41 0.00 -2.37 0.16 0.00 0.00 175.35 173.93 1cww n THR 22 N -0.85 0.00 0.00 3.43 5.66 -1.26 -4.65 114.28 116.61 1cww n THR 22 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1cww n THR 22 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1cww n THR 22 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1cww n SER 23 N 0.00 0.00 0.08 1.09 2.88 -1.26 -0.38 113.62 116.03 1cww n SER 23 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1cww n SER 23 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1cww n SER 23 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1cww h TYR 24 N 0.00 -0.69 -0.65 0.66 -1.99 -1.99 0.11 116.97 112.43 1cww h TYR 24 Ca 0.00 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.83 1cww h TYR 24 Cb 0.00 0.30 -0.06 0.00 2.00 0.00 0.00 36.73 38.97 1cww h TYR 24 CO 0.00 -0.35 0.32 0.82 -0.00 0.00 0.00 178.16 178.95 1cww h ILE 25 N -0.43 0.88 0.00 -2.88 2.04 -0.98 -0.11 117.51 116.03 1cww h ILE 25 Ca 0.05 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1cww h ILE 25 Cb 0.48 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1cww h ILE 25 CO -0.19 0.10 -0.32 -0.03 0.00 0.00 0.00 178.15 177.71 1cww h MET 26 N 0.57 0.00 -0.29 2.37 4.05 -1.16 -2.37 114.93 118.10 1cww h MET 26 Ca 0.31 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.63 1cww h MET 26 Cb 0.28 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1cww h MET 26 CO -0.23 0.32 -0.24 0.22 0.23 0.00 0.00 176.91 177.21 1cww h ASP 27 N 0.00 0.56 0.87 1.39 1.82 0.11 -0.92 116.42 120.25 1cww h ASP 27 Ca -0.00 -0.19 -0.17 0.00 -0.39 0.00 0.00 57.03 56.28 1cww h ASP 27 Cb 0.68 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.51 1cww h ASP 27 CO 0.04 0.79 -0.82 0.45 -1.61 0.00 0.00 179.24 178.09 1cww h HIS 28 N 0.49 0.00 -0.12 0.28 3.86 -1.11 -2.16 115.15 116.39 1cww h HIS 28 Ca 0.07 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.09 1cww h HIS 28 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1cww h HIS 28 CO 0.03 0.82 -0.73 0.52 0.86 0.00 0.00 177.93 179.43 1cww h MET 29 N 0.00 0.57 -0.15 2.45 2.86 -0.93 0.39 114.93 120.12 1cww h MET 29 Ca -0.01 -0.45 -0.16 0.00 -2.06 0.00 0.00 59.70 57.02 1cww h MET 29 Cb 1.47 0.09 0.01 0.00 0.06 0.00 0.00 31.60 33.23 1cww h MET 29 CO 0.11 1.08 -0.55 0.82 1.06 0.00 0.00 176.91 179.43 1cww h ILE 30 N 0.39 1.33 0.00 -1.22 1.08 -1.20 -2.20 117.51 115.69 1cww h ILE 30 Ca -0.03 -1.81 -0.06 0.00 -0.39 0.00 0.00 64.86 62.57 1cww h ILE 30 Cb 1.32 2.04 -0.01 0.00 -3.07 0.00 0.00 36.82 37.10 1cww h ILE 30 CO 0.14 0.56 -0.28 -1.28 -0.69 0.00 0.00 178.15 176.59 1cww h SER 31 N 0.29 0.00 1.11 1.72 0.87 -1.40 -0.79 113.55 115.36 1cww h SER 31 Ca -0.03 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1cww h SER 31 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1cww h SER 31 CO 0.12 0.28 -0.24 -0.78 -0.53 0.00 0.00 176.83 175.68 1cww h ASP 32 N 0.00 0.00 0.00 6.23 3.58 -0.78 -3.47 116.42 121.98 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 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1cww h ASP 32 CO 0.04 0.24 0.00 0.61 -2.88 0.00 0.00 179.24 177.25 1cww n GLY 33 N 0.40 0.75 0.07 -0.78 0.00 -0.30 -4.92 105.19 100.41 1cww n GLY 33 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.65 1.61 -1.00 -1.63 -3.41 116.94 108.86 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 -0.23 0.00 3.61 0.00 0.00 35.95 39.33 1cww h PHE 34 CO 0.00 0.95 -0.60 -0.51 -1.61 0.00 0.00 178.31 176.54 1cww s LEU 35 N -6.74 3.66 0.00 1.54 1.43 -1.01 -5.02 118.68 112.54 1cww s LEU 35 Ca 0.01 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1cww s LEU 35 Cb 0.10 -1.95 0.13 0.00 0.03 0.00 0.00 46.19 44.50 1cww s LEU 35 CO 0.81 -0.09 0.80 0.35 0.23 0.00 0.00 176.35 178.45 1cww n THR 36 N 4.94 0.00 0.09 5.49 -2.24 -1.26 -4.47 114.28 116.82 1cww n THR 36 Ca -0.15 -0.71 0.03 0.00 -2.27 0.00 0.00 64.05 60.95 1cww n THR 36 Cb 0.51 -1.55 0.41 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.27 1.14 -0.17 2.28 5.03 -1.98 0.15 117.51 122.70 1cww h ILE 37 Ca -0.26 -0.57 -0.16 0.00 -0.12 0.00 0.00 64.86 63.76 1cww h ILE 37 Cb 0.76 0.99 -0.01 0.00 -3.03 0.00 0.00 36.82 35.53 1cww h ILE 37 CO 0.20 0.19 -0.55 0.77 -0.68 0.00 0.00 178.15 178.08 1cww h SER 38 N 0.32 0.57 -0.03 1.72 4.64 -1.99 0.19 113.55 118.97 1cww h SER 38 Ca 0.07 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1cww h SER 38 Cb 0.23 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1cww h SER 38 CO 0.01 1.00 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.61 1cww h GLU 39 N 0.39 0.07 -0.86 4.77 4.39 -1.68 -3.03 114.58 118.63 1cww h GLU 39 Ca 0.01 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1cww h GLU 39 Cb 1.08 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.69 1cww h GLU 39 CO 0.10 0.54 0.57 1.49 -1.16 0.00 0.00 179.01 180.55 1cww h GLU 40 N -0.40 1.09 0.63 2.33 4.81 -0.69 -2.77 114.58 119.57 1cww h GLU 40 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1cww h GLU 40 Cb 0.52 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1cww h GLU 40 CO 0.01 0.72 -0.50 1.49 -0.73 0.00 0.00 179.01 180.00 1cww h GLU 41 N 1.12 -1.06 0.03 1.92 4.81 -0.57 -2.11 114.58 118.73 1cww h GLU 41 Ca 0.33 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1cww h GLU 41 Cb -0.06 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1cww h GLU 41 CO -0.08 -0.70 -0.02 0.87 -0.73 0.00 0.00 179.01 178.35 1cww h LYS 42 N -1.10 -0.04 -0.60 1.92 1.57 -1.48 0.97 116.57 117.82 1cww h LYS 42 Ca -0.08 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1cww h LYS 42 Cb 0.92 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.16 1cww h LYS 42 CO 0.01 0.09 0.20 0.28 -0.57 0.00 0.00 179.45 179.46 1cww h VAL 43 N -0.17 0.73 0.01 0.50 2.07 -1.53 -2.01 116.25 115.85 1cww h VAL 43 Ca -0.00 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 67.20 1cww h VAL 43 Cb 0.15 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1cww h VAL 43 CO 0.01 0.07 -0.89 -0.09 0.02 0.00 0.00 177.57 176.69 1cww h ARG 44 N 0.36 0.07 0.00 1.57 2.43 -1.33 -3.26 114.38 114.23 1cww h ARG 44 Ca 0.31 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1cww h ARG 44 Cb 0.40 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1cww h ARG 44 CO -0.33 0.91 0.00 -0.91 -1.51 0.00 0.00 179.97 178.13 1cww h ASN 45 N 0.04 0.00 -4.17 -3.80 2.35 -0.10 -3.45 115.58 106.45 1cww h ASN 45 Ca -0.03 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.18 1cww h ASN 45 Cb 1.54 0.00 0.17 0.00 0.05 0.00 0.00 38.32 40.08 1cww h ASN 45 CO 0.12 0.00 0.41 -1.61 -1.65 0.00 0.00 177.43 174.71 1cww s GLU 46 N -3.49 2.05 0.07 0.81 0.41 -0.88 -4.96 118.70 112.72 1cww s GLU 46 Ca 0.03 1.87 -0.33 0.00 -0.41 0.00 0.00 54.97 56.13 1cww s GLU 46 Cb 0.09 -1.81 -0.19 0.00 -1.78 0.00 0.00 34.13 30.44 1cww s GLU 46 CO 0.50 -1.93 1.61 -1.35 -0.49 0.00 0.00 175.26 173.61 1cww h PRO 47 N -0.27 -0.88 0.00 0.39 0.11 -1.92 -3.45 132.00 125.99 1cww h PRO 47 Ca -0.48 0.06 -0.33 0.00 0.11 0.00 0.00 66.00 65.36 1cww h PRO 47 Cb 1.31 0.20 -0.08 0.00 0.11 0.00 0.00 31.00 32.54 1cww h PRO 47 CO 0.49 -0.58 -0.30 0.25 -0.21 0.00 0.00 178.00 177.65 1cww n THR 48 N -5.48 0.00 0.31 -1.15 -2.24 -1.26 -5.00 114.28 99.46 1cww n THR 48 Ca -0.14 -1.54 0.19 0.00 -2.27 0.00 0.00 64.05 60.30 1cww n THR 48 Cb 0.37 0.68 1.00 0.00 -2.10 0.00 0.00 70.33 70.28 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 -0.02 -0.78 4.15 -1.94 0.26 115.11 116.77 1cww h GLN 49 Ca -0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1cww h GLN 49 Cb 0.77 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 1cww h GLN 49 CO 0.26 0.00 -0.03 0.37 -1.93 0.00 0.00 178.83 177.50 1cww h GLN 50 N 0.00 -0.02 -0.00 1.69 4.15 -1.98 0.49 115.11 119.44 1cww h GLN 50 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1cww h GLN 50 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1cww h GLN 50 CO -0.00 -0.01 -0.54 1.04 -1.93 0.00 0.00 178.83 177.39 1cww n GLN 51 N -2.87 0.08 0.14 1.69 6.02 -1.02 -2.63 117.38 118.79 1cww n GLN 51 Ca -0.00 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 1cww n GLN 51 Cb 0.02 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 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 0.13 -0.42 -0.45 -1.09 9.65 -0.02 0.27 114.38 122.44 1cww h ARG 52 Ca 0.00 0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 1cww h ARG 52 Cb 0.50 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 1cww h ARG 52 CO 0.00 -0.13 -0.06 0.00 2.80 0.00 0.00 179.97 182.58 1cww h ALA 53 N -0.75 0.62 -0.46 2.80 0.00 -0.20 -2.03 119.26 119.24 1cww h ALA 53 Ca -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1cww h ALA 53 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1cww h ALA 53 CO 0.07 0.46 0.31 0.00 0.00 0.00 0.00 179.25 180.09 1cww h ALA 54 N 0.89 1.73 -0.45 0.00 0.00 -1.54 0.06 119.26 119.96 1cww h ALA 54 Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1cww h ALA 54 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1cww h ALA 54 CO 0.03 0.23 -0.21 1.98 0.00 0.00 0.00 179.25 181.28 1cww h MET 55 N 0.57 0.93 0.17 0.00 -1.53 0.00 0.42 114.93 115.49 1cww h MET 55 Ca 0.18 -0.40 -0.00 0.00 -3.44 0.00 0.00 59.70 56.03 1cww h MET 55 Cb 0.02 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.04 1cww h MET 55 CO -0.04 1.06 -0.11 1.25 0.14 0.00 0.00 176.91 179.21 1cww h LEU 56 N 0.77 -0.27 -1.37 3.39 5.85 -0.54 0.13 115.31 123.27 1cww h LEU 56 Ca 0.10 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1cww h LEU 56 Cb 0.78 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1cww h LEU 56 CO 0.06 -0.17 0.03 0.40 -0.34 0.00 0.00 178.44 178.42 1cww h ILE 57 N -0.27 1.17 -0.14 4.05 2.04 -0.92 -2.36 117.51 121.08 1cww h ILE 57 Ca -0.02 -0.63 -0.12 0.00 1.00 0.00 0.00 64.86 65.09 1cww h ILE 57 Cb 0.23 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1cww h ILE 57 CO 0.02 0.22 -0.45 0.50 0.00 0.00 0.00 178.15 178.44 1cww h LYS 58 N 0.44 0.33 -0.08 2.37 3.64 0.57 -1.38 116.57 122.47 1cww h LYS 58 Ca 0.10 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1cww h LYS 58 Cb 0.25 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1cww h LYS 58 CO 0.00 0.72 0.04 0.52 -2.27 0.00 0.00 179.45 178.46 1cww h MET 59 N 0.27 0.11 0.00 1.90 2.86 -0.24 -2.52 114.93 117.32 1cww h MET 59 Ca 0.02 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1cww h MET 59 Cb 0.90 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1cww h MET 59 CO 0.07 0.19 -0.20 0.82 1.06 0.00 0.00 176.91 178.85 1cww h ILE 60 N 0.01 1.14 0.00 -1.22 2.04 -1.41 -1.28 117.51 116.79 1cww h ILE 60 Ca 0.03 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1cww h ILE 60 Cb 0.11 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1cww h ILE 60 CO -0.00 0.20 -0.02 0.25 0.00 0.00 0.00 178.15 178.58 1cww h LEU 61 N 0.00 0.00 -5.20 1.44 6.46 -0.79 -3.01 115.31 114.20 1cww h LEU 61 Ca -0.00 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.47 1cww h LEU 61 Cb 0.36 0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 39.88 1cww h LEU 61 CO 0.03 0.02 -1.10 1.17 -0.62 0.00 0.00 178.44 177.93 1cww n LYS 62 N -3.37 1.84 0.00 1.25 0.00 -0.57 -5.06 118.16 112.25 1cww n LYS 62 Ca -0.03 -3.55 0.00 0.00 0.00 0.00 0.00 58.31 54.74 1cww n LYS 62 Cb 0.11 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.52 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 -0.53 3.51 -4.31 1.64 4.81 -0.69 -5.01 118.16 117.58 1cww n LYS 63 Ca 0.11 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.29 1cww n LYS 63 Cb 0.82 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.77 1cww n LYS 63 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1cww s ASP 64 N 0.89 4.23 0.48 3.14 1.11 -1.26 -2.75 116.67 122.50 1cww s ASP 64 Ca 0.00 -0.63 0.14 0.00 0.18 0.00 0.00 52.55 52.24 1cww s ASP 64 Cb 0.00 -0.70 1.11 0.00 1.07 0.00 0.00 42.92 44.40 1cww s ASP 64 CO 0.00 0.08 2.08 -0.55 1.18 0.00 0.00 175.17 177.96 1cww h ASN 65 N 2.70 0.07 -0.54 0.27 7.08 -1.55 -0.44 115.58 123.17 1cww h ASN 65 Ca -0.46 -0.01 -0.05 0.00 -3.08 0.00 0.00 56.30 52.71 1cww h ASN 65 Cb 1.22 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 37.42 1cww h ASN 65 CO 0.55 0.12 0.14 -0.78 -2.08 0.00 0.00 177.43 175.38 1cww h ASP 66 N 0.08 0.80 0.52 6.14 1.82 -1.95 0.22 116.42 124.05 1cww h ASP 66 Ca 0.02 -0.22 -0.10 0.00 -0.39 0.00 0.00 57.03 56.34 1cww h ASP 66 Cb 0.11 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1cww h ASP 66 CO 0.00 0.82 -0.46 0.28 -1.61 0.00 0.00 179.24 178.27 1cww h SER 67 N 0.75 0.00 -0.42 2.28 0.02 -1.72 -0.92 113.55 113.54 1cww h SER 67 Ca 0.17 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1cww h SER 67 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1cww h SER 67 CO -0.00 0.46 -0.22 0.22 -1.14 0.00 0.00 176.83 176.15 1cww h TYR 68 N 0.00 1.03 0.00 3.45 3.20 -0.30 0.67 116.97 125.02 1cww h TYR 68 Ca -0.00 -0.26 -0.07 0.00 3.14 0.00 0.00 58.73 61.54 1cww h TYR 68 Cb 0.85 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1cww h TYR 68 CO 0.00 1.05 -0.32 0.28 -1.64 0.00 0.00 178.16 177.53 1cww h VAL 69 N 0.71 1.04 0.03 1.81 2.07 -0.18 0.45 116.25 122.18 1cww h VAL 69 Ca 0.09 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1cww h VAL 69 Cb 0.79 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1cww h VAL 69 CO 0.07 0.31 -0.02 -1.28 0.02 0.00 0.00 177.57 176.67 1cww h SER 70 N 0.00 -0.04 -0.95 0.57 0.87 -0.40 0.22 113.55 113.83 1cww h SER 70 Ca -0.00 -0.49 0.09 0.00 -1.23 0.00 0.00 61.79 60.16 1cww h SER 70 Cb 0.64 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.53 1cww h SER 70 CO 0.04 0.48 0.59 0.15 -0.53 0.00 0.00 176.83 177.56 1cww h PHE 71 N -0.57 1.08 -0.06 2.24 3.57 0.78 0.41 116.94 124.40 1cww h PHE 71 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1cww h PHE 71 Cb 0.52 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1cww h PHE 71 CO 0.10 0.50 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.73 1cww h TYR 72 N 1.01 -0.06 -0.03 0.41 3.20 0.02 -1.41 116.97 120.12 1cww h TYR 72 Ca 0.44 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 1cww h TYR 72 Cb 0.31 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1cww h TYR 72 CO -0.02 -0.04 -0.17 -0.97 -1.64 0.00 0.00 178.16 175.32 1cww h ASN 73 N -0.02 0.04 -0.04 -2.11 -1.24 0.88 -2.10 115.58 111.00 1cww h ASN 73 Ca 0.03 -0.01 -0.13 0.00 0.71 0.00 0.00 56.30 56.90 1cww h ASN 73 Cb 0.07 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1cww h ASN 73 CO -0.07 0.22 -0.40 0.00 -1.29 0.00 0.00 177.43 175.88 1cww h ALA 74 N 1.79 0.86 0.00 1.57 0.00 0.54 -1.50 119.26 122.51 1cww h ALA 74 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1cww h ALA 74 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1cww h ALA 74 CO 0.02 0.64 -0.23 -0.07 0.00 0.00 0.00 179.25 179.62 1cww h LEU 75 N 0.46 0.00 0.00 0.00 3.38 -0.60 -0.51 115.31 118.03 1cww h LEU 75 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cww h LEU 75 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1cww h LEU 75 CO 0.08 0.23 -0.22 0.18 0.09 0.00 0.00 178.44 178.79 1cww n LEU 76 N -4.00 0.57 0.08 1.67 4.32 -0.78 -1.84 117.00 117.03 1cww n LEU 76 Ca -0.02 0.40 -0.09 0.00 -0.02 0.00 0.00 56.01 56.28 1cww n LEU 76 Cb 0.31 -0.31 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 1cww n LEU 76 CO 0.35 -0.07 0.13 -0.74 -1.22 0.00 0.00 177.39 175.84 1cww h HIS 77 N 0.00 0.14 -1.20 -1.77 2.76 -0.10 -3.46 115.15 111.51 1cww h HIS 77 Ca 0.00 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1cww h HIS 77 Cb 0.66 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.61 1cww h HIS 77 CO 0.00 1.04 0.00 0.39 -1.30 0.00 0.00 177.93 178.06 1cww n GLU 78 N -3.45 3.93 -1.68 5.26 -0.58 -1.08 -5.03 120.64 118.02 1cww n GLU 78 Ca -0.02 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.38 1cww n GLU 78 Cb 0.93 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.85 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 5.89 2.11 0.62 0.00 -1.26 -4.51 105.19 113.05 1cww n GLY 79 Ca 0.00 -2.45 -0.15 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.76 2.06 0.37 1.61 4.02 -0.76 -4.77 117.16 118.93 1cww n TYR 80 Ca 0.56 -2.09 0.14 0.00 -0.01 0.00 0.00 57.90 56.50 1cww n TYR 80 Cb 0.61 -0.30 0.53 0.00 -0.02 0.00 0.00 39.34 40.16 1cww n TYR 80 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1cww h LYS 81 N 2.17 0.00 0.07 -0.72 1.57 -1.75 -2.87 116.57 115.04 1cww h LYS 81 Ca 0.19 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.80 1cww h LYS 81 Cb 1.44 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.77 1cww h LYS 81 CO 0.53 0.00 -0.71 -0.44 -0.57 0.00 0.00 179.45 178.26 1cww h ASP 82 N 0.00 0.50 -0.22 0.86 5.19 -1.90 -0.98 116.42 119.87 1cww h ASP 82 Ca 0.00 -0.86 -0.01 0.00 -0.62 0.00 0.00 57.03 55.54 1cww h ASP 82 Cb 0.50 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 1cww h ASP 82 CO 0.00 1.31 0.09 0.25 -3.12 0.00 0.00 179.24 177.77 1cww h LEU 83 N -0.25 0.30 -1.38 1.55 7.12 -1.93 -1.28 115.31 119.43 1cww h LEU 83 Ca -0.11 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.74 1cww h LEU 83 Cb 1.48 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 1cww h LEU 83 CO 0.14 0.37 0.23 0.00 -0.13 0.00 0.00 178.44 179.04 1cww h ALA 84 N 0.94 1.53 -0.29 1.25 0.00 -1.59 -0.88 119.26 120.23 1cww h ALA 84 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1cww h ALA 84 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1cww h ALA 84 CO -0.01 0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.54 1cww h ALA 85 N 1.60 1.32 0.00 0.00 0.00 -0.61 0.26 119.26 121.83 1cww h ALA 85 Ca 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1cww h ALA 85 Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1cww h ALA 85 CO -0.02 0.46 -0.13 -0.07 0.00 0.00 0.00 179.25 179.49 1cww h LEU 86 N 0.44 0.00 0.00 0.00 3.38 -0.01 -1.98 115.31 117.13 1cww h LEU 86 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1cww h LEU 86 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cww h LEU 86 CO 0.02 0.13 -1.12 0.18 0.09 0.00 0.00 178.44 177.74 1cww n LEU 87 N -3.92 0.62 0.33 1.67 4.77 -0.06 -4.06 117.00 116.36 1cww n LEU 87 Ca -0.02 -0.14 0.22 0.00 -0.03 0.00 0.00 56.01 56.04 1cww n LEU 87 Cb 0.22 -0.07 1.18 0.00 -2.33 0.00 0.00 43.42 42.42 1cww n LEU 87 CO 0.32 0.10 1.17 -0.74 -1.33 0.00 0.00 177.39 176.90 1cww h HIS 88 N 0.00 0.00 -0.49 -1.77 2.76 0.23 0.11 115.15 115.99 1cww h HIS 88 Ca 0.00 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1cww h HIS 88 Cb 0.69 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 1cww h HIS 88 CO 0.00 0.00 0.33 0.22 -1.30 0.00 0.00 177.93 177.18 1cww h ASP 89 N 0.00 0.40 0.00 3.26 1.82 -1.70 -1.99 116.42 118.21 1cww h ASP 89 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cww h ASP 89 Cb 0.02 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1cww h ASP 89 CO 0.00 0.27 -1.89 0.61 -1.61 0.00 0.00 179.24 176.62 1cww n GLY 90 N -1.50 -1.00 3.62 -0.78 0.00 0.34 -4.89 105.19 100.98 1cww n GLY 90 Ca 0.06 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.46 4.09 -0.01 -0.61 -1.09 -0.75 -4.48 121.20 114.90 1cww s ILE 91 Ca -0.06 1.21 -0.02 0.00 -2.23 0.00 0.00 60.65 59.55 1cww s ILE 91 Cb 0.14 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1cww s ILE 91 CO 0.90 -0.55 0.35 -0.65 -1.23 0.00 0.00 174.94 173.77 1cww h PRO 92 N 9.58 -0.05 -4.61 2.79 0.11 -1.90 -3.46 132.00 134.45 1cww h PRO 92 Ca -0.26 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.56 1cww h PRO 92 Cb 1.10 0.01 -0.22 0.00 0.11 0.00 0.00 31.00 32.00 1cww h PRO 92 CO 1.05 -0.04 -0.74 0.14 -0.21 0.00 0.00 178.00 178.20 1cww s VAL 93 N -1.82 0.58 -1.25 3.15 -7.23 -1.26 -5.08 120.40 107.49 1cww s VAL 93 Ca -0.01 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 1cww s VAL 93 Cb 0.00 -0.63 0.17 0.00 0.56 0.00 0.00 36.38 36.48 1cww s VAL 93 CO 0.02 -0.32 1.67 0.52 -0.31 0.00 0.00 175.10 176.69 1cww n VAL 94 N 1.59 4.29 -3.90 1.32 0.31 -1.26 -4.56 118.33 116.12 1cww n VAL 94 Ca -0.22 -4.54 -0.28 0.00 -0.01 0.00 0.00 64.34 59.29 1cww n VAL 94 Cb 0.55 -2.41 0.02 0.00 -0.91 0.00 0.00 33.84 31.08 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 4.81 -3.13 -3.72 4.52 7.64 -1.26 -4.97 113.62 117.51 1cww n SER 95 Ca 0.39 -0.85 -0.12 0.00 1.01 0.00 0.00 58.87 59.30 1cww n SER 95 Cb 0.39 -3.69 -0.11 0.00 -1.01 0.00 0.00 64.21 59.79 1cww n SER 95 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1cww s SER 96 N -3.71 -0.42 0.00 6.43 0.15 -1.26 -5.27 113.70 109.61 1cww s SER 96 Ca 0.42 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1cww s SER 96 Cb -0.21 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1cww s SER 96 CO 0.84 -0.16 0.00 -1.20 1.20 0.00 0.00 173.24 173.92