#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww s PRO -4 N 0.00 3.16 -0.67 1.61 0.04 -1.26 -5.02 135.00 132.87 1cww s PRO -4 Ca 0.00 0.42 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 1cww s PRO -4 Cb 0.00 -2.13 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1cww s PRO -4 CO 0.00 -0.74 0.85 -0.51 0.04 0.00 0.00 177.00 176.65 1cww s LEU -3 N -5.16 5.06 0.00 -3.56 2.01 -1.26 -4.56 118.68 111.21 1cww s LEU -3 Ca 0.55 -1.42 0.00 0.00 0.01 0.00 0.00 54.13 53.27 1cww s LEU -3 Cb -0.11 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 43.74 1cww s LEU -3 CO 0.50 -1.20 0.00 0.61 1.01 0.00 0.00 176.35 177.27 1cww n GLY -2 N 5.27 0.00 3.15 -3.19 0.00 -1.26 -4.67 105.19 104.50 1cww n GLY -2 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 5.25 -4.78 1.61 7.64 -1.12 -4.74 113.62 117.48 1cww n SER -1 Ca 0.00 -3.17 -0.36 0.00 1.01 0.00 0.00 58.87 56.36 1cww n SER -1 Cb 0.00 -1.22 -0.08 0.00 -1.01 0.00 0.00 64.21 61.90 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 -1.71 3.18 0.18 1.43 1.75 -1.16 -1.15 119.30 121.82 1cww s MET 1 Ca 0.31 -0.30 -0.31 0.00 -1.25 0.00 0.00 55.69 54.13 1cww s MET 1 Cb -0.05 -2.97 -0.10 0.00 2.84 0.00 0.00 34.83 34.56 1cww s MET 1 CO -0.05 0.73 1.51 0.34 -0.65 0.00 0.00 175.02 176.90 1cww s ASP 2 N -1.05 6.64 0.29 1.11 -1.08 -1.26 -4.84 116.67 116.48 1cww s ASP 2 Ca 0.15 2.59 -0.03 0.00 -0.52 0.00 0.00 52.55 54.74 1cww s ASP 2 Cb -0.12 -2.60 0.42 0.00 -1.46 0.00 0.00 42.92 39.16 1cww s ASP 2 CO 0.04 -0.77 1.96 0.00 0.52 0.00 0.00 175.17 176.92 1cww h ALA 3 N 6.35 1.39 0.00 3.66 0.00 -1.97 0.67 119.26 129.36 1cww h ALA 3 Ca -0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1cww h ALA 3 Cb 1.21 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1cww h ALA 3 CO 0.87 0.56 -0.20 -0.22 0.00 0.00 0.00 179.25 180.26 1cww h LYS 4 N 1.16 0.00 0.00 0.00 3.64 -1.91 -2.20 116.57 117.26 1cww h LYS 4 Ca 0.32 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1cww h LYS 4 Cb -0.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1cww h LYS 4 CO -0.07 0.20 -0.07 0.00 -2.27 0.00 0.00 179.45 177.24 1cww h ALA 5 N 1.80 0.01 -0.53 5.00 0.00 -1.44 -2.92 119.26 121.18 1cww h ALA 5 Ca -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1cww h ALA 5 Cb 1.01 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1cww h ALA 5 CO 0.03 0.06 0.35 -0.09 0.00 0.00 0.00 179.25 179.59 1cww h ARG 6 N -1.00 0.43 0.18 0.00 2.43 0.20 -2.54 114.38 114.07 1cww h ARG 6 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1cww h ARG 6 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1cww h ARG 6 CO -0.00 0.28 -0.08 -0.91 -1.51 0.00 0.00 179.97 177.74 1cww h ASN 7 N 0.44 -0.20 -0.68 -3.80 2.35 -1.54 -1.76 115.58 110.39 1cww h ASN 7 Ca 0.23 -0.33 0.20 0.00 -0.55 0.00 0.00 56.30 55.85 1cww h ASN 7 Cb 0.35 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 1cww h ASN 7 CO -0.06 0.34 0.65 0.00 -1.65 0.00 0.00 177.43 176.71 1cww h LEU 9 N 0.00 -0.03 -0.08 0.00 5.85 -1.38 -3.28 115.31 116.40 1cww h LEU 9 Ca 0.33 -0.41 -0.21 0.00 0.84 0.00 0.00 57.88 58.42 1cww h LEU 9 Cb 1.63 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 1cww h LEU 9 CO -0.00 0.67 -1.00 -0.07 -0.34 0.00 0.00 178.44 177.70 1cww h LEU 10 N -0.99 0.11 -1.23 2.25 3.38 -0.33 -3.29 115.31 115.21 1cww h LEU 10 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1cww h LEU 10 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1cww h LEU 10 CO 0.01 1.03 -0.00 -0.61 0.09 0.00 0.00 178.44 178.95 1cww h GLN 11 N 0.03 0.52 -1.54 1.13 4.15 0.15 -2.00 115.11 117.54 1cww h GLN 11 Ca -0.04 -0.11 -0.15 0.00 0.77 0.00 0.00 58.65 59.12 1cww h GLN 11 Cb 1.72 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 29.26 1cww h GLN 11 CO 0.14 0.55 0.20 0.72 -1.93 0.00 0.00 178.83 178.51 1cww n HIS 12 N -4.28 0.77 0.18 3.99 8.25 -1.23 -4.36 115.22 118.53 1cww n HIS 12 Ca 0.01 -1.30 0.12 0.00 -0.26 0.00 0.00 57.72 56.29 1cww n HIS 12 Cb 0.24 -0.64 0.62 0.00 1.12 0.00 0.00 29.99 31.33 1cww n HIS 12 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1cww h ARG 13 N 0.95 0.00 0.00 -0.41 -0.00 -1.55 0.50 114.38 113.87 1cww h ARG 13 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.11 1cww h ARG 13 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.06 1cww h ARG 13 CO 0.35 0.00 -0.08 0.93 -0.00 0.00 0.00 179.97 181.17 1cww h GLU 14 N 0.00 0.00 0.00 0.08 3.07 -1.87 -2.59 114.58 113.27 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 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1cww h GLU 14 CO 0.00 0.08 0.00 0.00 -1.40 0.00 0.00 179.01 177.69 1cww n ALA 15 N -2.23 1.88 -1.00 3.43 0.00 0.13 -4.71 120.51 118.00 1cww n ALA 15 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cww n ALA 15 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.94 0.00 -0.02 0.00 0.00 0.12 -0.03 117.00 116.14 1cww n LEU 16 Ca 0.00 0.36 0.18 0.00 0.00 0.00 0.00 56.01 56.54 1cww n LEU 16 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 43.42 44.06 1cww n LEU 16 CO 0.00 0.00 1.18 -0.08 0.00 0.00 0.00 177.39 178.49 1cww h GLU 17 N 0.00 0.11 0.06 1.96 4.81 -1.83 0.77 114.58 120.45 1cww h GLU 17 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1cww h GLU 17 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1cww h GLU 17 CO 0.00 0.07 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.10 1cww h LYS 18 N 0.11 -0.07 0.00 1.92 3.64 -1.80 -3.37 116.57 117.00 1cww h LYS 18 Ca 0.25 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 1cww h LYS 18 Cb 0.86 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1cww h LYS 18 CO -0.03 0.12 -1.72 -0.25 -2.27 0.00 0.00 179.45 175.30 1cww n ASP 19 N -5.04 2.00 -4.57 4.20 8.00 0.96 -4.82 116.55 117.28 1cww n ASP 19 Ca -0.08 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.06 1cww n ASP 19 Cb 0.13 1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 42.40 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 -2.61 3.79 0.63 0.53 1.01 0.27 -4.94 121.20 119.88 1cww s ILE 20 Ca -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1cww s ILE 20 Cb 0.06 -4.77 0.07 0.00 0.01 0.00 0.00 42.46 37.83 1cww s ILE 20 CO 0.52 -1.56 0.88 -0.54 0.00 0.00 0.00 174.94 174.25 1cww s LYS 21 N 5.53 2.21 0.00 2.79 1.02 -1.26 -4.67 119.74 125.36 1cww s LYS 21 Ca 0.58 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1cww s LYS 21 Cb -0.01 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1cww s LYS 21 CO 0.01 -1.03 0.00 -2.37 -0.92 0.00 0.00 175.35 171.04 1cww n THR 22 N -2.59 0.00 0.00 2.17 5.66 -1.26 -4.72 114.28 113.53 1cww n THR 22 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1cww n THR 22 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 -0.10 1.09 7.64 -1.26 0.58 113.62 121.57 1cww n SER 23 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1cww n SER 23 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.49 -0.88 1.43 -1.99 -1.99 -0.62 116.97 113.40 1cww h TYR 24 Ca 0.00 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.70 1cww h TYR 24 Cb 0.00 -0.14 -0.05 0.00 2.00 0.00 0.00 36.73 38.54 1cww h TYR 24 CO 0.00 0.50 0.58 0.82 -0.00 0.00 0.00 178.16 180.06 1cww h ILE 25 N 0.33 1.19 0.00 -2.88 2.04 -0.15 -0.49 117.51 117.55 1cww h ILE 25 Ca 0.10 -0.40 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1cww h ILE 25 Cb 0.25 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1cww h ILE 25 CO -0.00 0.21 -0.32 -0.03 0.00 0.00 0.00 178.15 178.01 1cww h MET 26 N 1.16 0.00 -0.57 2.37 4.05 -1.30 -2.15 114.93 118.48 1cww h MET 26 Ca 0.34 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.65 1cww h MET 26 Cb -0.07 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1cww h MET 26 CO -0.09 0.32 -0.04 0.22 0.23 0.00 0.00 176.91 177.54 1cww h ASP 27 N 0.00 1.03 0.71 1.39 3.58 0.52 -1.76 116.42 121.89 1cww h ASP 27 Ca -0.00 -0.33 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 1cww h ASP 27 Cb 0.61 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1cww h ASP 27 CO 0.04 1.11 -0.32 0.45 -2.88 0.00 0.00 179.24 177.64 1cww h HIS 28 N 0.93 0.00 -0.00 0.28 3.86 -1.02 -0.81 115.15 118.39 1cww h HIS 28 Ca 0.16 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.18 1cww h HIS 28 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1cww h HIS 28 CO 0.04 0.32 -0.84 0.52 0.86 0.00 0.00 177.93 178.83 1cww h MET 29 N 0.00 0.18 0.15 2.45 2.86 -0.80 -0.95 114.93 118.82 1cww h MET 29 Ca -0.00 -0.19 -0.23 0.00 -2.06 0.00 0.00 59.70 57.22 1cww h MET 29 Cb 0.76 0.05 0.03 0.00 0.06 0.00 0.00 31.60 32.50 1cww h MET 29 CO 0.04 0.92 -0.99 0.82 1.06 0.00 0.00 176.91 178.76 1cww h ILE 30 N 0.10 1.43 0.00 -1.22 2.04 -1.10 -2.08 117.51 116.68 1cww h ILE 30 Ca -0.04 -2.51 -0.05 0.00 1.00 0.00 0.00 64.86 63.26 1cww h ILE 30 Cb 1.45 3.04 -0.01 0.00 -0.74 0.00 0.00 36.82 40.57 1cww h ILE 30 CO 0.13 0.73 -0.23 0.77 0.00 0.00 0.00 178.15 179.55 1cww h SER 31 N -0.15 0.00 0.40 1.72 4.64 -1.20 0.16 113.55 119.11 1cww h SER 31 Ca -0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 1cww h SER 31 Cb 1.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.84 1cww h SER 31 CO 0.19 0.23 -0.33 -0.78 -0.87 0.00 0.00 176.83 175.26 1cww h ASP 32 N 0.00 0.00 0.00 4.97 1.82 -1.17 -3.47 116.42 118.58 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 0.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1cww h ASP 32 CO 0.03 0.33 0.00 0.61 -1.61 0.00 0.00 179.24 178.60 1cww n GLY 33 N -0.47 0.49 0.09 -0.78 0.00 0.04 -4.94 105.19 99.63 1cww n GLY 33 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.31 -3.69 1.61 -1.00 -1.71 -3.42 116.94 109.04 1cww h PHE 34 Ca 0.00 -0.23 -0.66 0.00 2.81 0.00 0.00 57.97 59.89 1cww h PHE 34 Cb 0.00 -0.01 -0.22 0.00 3.61 0.00 0.00 35.95 39.33 1cww h PHE 34 CO 0.00 1.20 -0.56 -0.51 -1.61 0.00 0.00 178.31 176.83 1cww s LEU 35 N -6.93 3.98 0.00 1.54 1.02 -0.80 -5.01 118.68 112.47 1cww s LEU 35 Ca -0.03 -0.38 -0.02 0.00 0.02 0.00 0.00 54.13 53.72 1cww s LEU 35 Cb 0.08 -2.01 0.08 0.00 0.02 0.00 0.00 46.19 44.37 1cww s LEU 35 CO 0.86 -0.14 0.56 1.07 0.02 0.00 0.00 176.35 178.72 1cww n THR 36 N 4.99 0.00 -0.22 5.49 5.66 -1.26 -4.22 114.28 124.71 1cww n THR 36 Ca -0.14 -0.78 0.06 0.00 -3.05 0.00 0.00 64.05 60.14 1cww n THR 36 Cb 0.50 -1.23 0.33 0.00 -1.55 0.00 0.00 70.33 68.38 1cww n THR 36 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1cww h ILE 37 N -0.66 1.02 -0.30 1.09 1.08 -1.98 0.18 117.51 117.94 1cww h ILE 37 Ca -0.19 -0.28 -0.12 0.00 -0.39 0.00 0.00 64.86 63.89 1cww h ILE 37 Cb 0.65 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1cww h ILE 37 CO 0.18 0.15 -0.30 0.28 -0.69 0.00 0.00 178.15 177.78 1cww h SER 38 N 0.82 0.63 -0.33 1.72 0.02 -1.98 0.31 113.55 114.74 1cww h SER 38 Ca 0.34 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1cww h SER 38 Cb 0.27 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1cww h SER 38 CO -0.12 0.90 -0.06 -0.33 -1.14 0.00 0.00 176.83 176.08 1cww h GLU 39 N 0.53 0.63 -0.16 3.45 3.07 -1.44 -2.21 114.58 118.45 1cww h GLU 39 Ca 0.07 -0.23 0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1cww h GLU 39 Cb 0.78 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 1cww h GLU 39 CO 0.06 0.79 0.07 1.49 -1.40 0.00 0.00 179.01 180.03 1cww h GLU 40 N 0.41 0.16 -0.78 2.33 4.81 -0.45 -2.57 114.58 118.49 1cww h GLU 40 Ca 0.09 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.43 1cww h GLU 40 Cb 0.55 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.81 1cww h GLU 40 CO 0.03 0.10 0.39 1.49 -0.73 0.00 0.00 179.01 180.30 1cww h GLU 41 N 0.16 0.60 0.62 1.92 4.81 -0.20 0.18 114.58 122.66 1cww h GLU 41 Ca 0.06 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1cww h GLU 41 Cb 0.02 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.27 1cww h GLU 41 CO -0.05 0.39 -0.30 0.87 -0.73 0.00 0.00 179.01 179.20 1cww h LYS 42 N 0.61 -0.80 -0.55 1.92 1.57 -1.14 0.22 116.57 118.40 1cww h LYS 42 Ca 0.41 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.30 1cww h LYS 42 Cb 0.51 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1cww h LYS 42 CO -0.32 -0.51 0.37 0.28 -0.57 0.00 0.00 179.45 178.70 1cww h VAL 43 N -1.18 1.00 0.00 0.50 2.07 -1.37 0.01 116.25 117.27 1cww h VAL 43 Ca -0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1cww h VAL 43 Cb 0.66 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1cww h VAL 43 CO 0.14 0.10 -0.23 0.03 0.02 0.00 0.00 177.57 177.63 1cww h ARG 44 N 0.53 0.00 -0.75 1.57 3.08 -0.64 -3.29 114.38 114.88 1cww h ARG 44 Ca 0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 1cww h ARG 44 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1cww h ARG 44 CO -0.07 0.00 0.34 -0.97 -1.07 0.00 0.00 179.97 178.21 1cww h ASN 45 N 0.00 0.99 -4.03 7.04 -0.73 0.15 -3.43 115.58 115.58 1cww h ASN 45 Ca 0.00 -0.14 -0.53 0.00 1.87 0.00 0.00 56.30 57.50 1cww h ASN 45 Cb 0.99 -0.26 0.10 0.00 0.27 0.00 0.00 38.32 39.42 1cww h ASN 45 CO 0.00 0.86 0.54 -1.61 -0.37 0.00 0.00 177.43 176.86 1cww s GLU 46 N -5.66 3.45 0.20 6.67 0.41 -1.15 -4.96 118.70 117.65 1cww s GLU 46 Ca -0.13 2.00 0.01 0.00 -0.41 0.00 0.00 54.97 56.44 1cww s GLU 46 Cb 0.15 -2.33 0.14 0.00 -1.78 0.00 0.00 34.13 30.31 1cww s GLU 46 CO 0.82 -0.87 1.49 -1.35 -0.49 0.00 0.00 175.26 174.85 1cww h PRO 47 N 1.74 0.32 -4.72 0.39 0.11 -1.90 -3.45 132.00 124.50 1cww h PRO 47 Ca -0.50 -0.25 -0.37 0.00 0.11 0.00 0.00 66.00 64.99 1cww h PRO 47 Cb 1.27 0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.30 1cww h PRO 47 CO 0.59 0.88 -0.50 0.95 -0.21 0.00 0.00 178.00 179.71 1cww s THR 48 N -3.66 0.00 0.62 -1.15 -4.23 -1.26 -5.00 115.64 100.96 1cww s THR 48 Ca -0.05 -1.96 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 1cww s THR 48 Cb 0.11 -2.50 0.33 0.00 1.34 0.00 0.00 72.50 71.78 1cww s THR 48 CO 0.82 0.00 1.82 -0.61 -0.54 0.00 0.00 174.62 176.11 1cww h GLN 49 N 2.29 0.00 0.00 3.99 4.15 -1.94 0.33 115.11 123.93 1cww h GLN 49 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1cww h GLN 49 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1cww h GLN 49 CO 0.42 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 178.26 1cww n GLN 50 N -3.33 0.00 -0.01 1.69 7.27 -1.26 -0.08 117.38 121.66 1cww n GLN 50 Ca 0.05 0.53 0.12 0.00 0.07 0.00 0.00 57.00 57.78 1cww n GLN 50 Cb 0.63 -1.01 0.22 0.00 2.41 0.00 0.00 30.24 32.48 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 -1.19 2.17 0.04 3.69 6.02 -1.15 -2.65 117.38 124.31 1cww n GLN 51 Ca 0.00 -1.70 -0.12 0.00 -0.01 0.00 0.00 57.00 55.18 1cww n GLN 51 Cb 0.00 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.71 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 4.08 -0.18 -0.42 -1.09 2.43 -0.61 0.65 114.38 119.24 1cww h ARG 52 Ca 0.00 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 1cww h ARG 52 Cb 0.87 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1cww h ARG 52 CO 0.00 0.29 -0.32 0.00 -1.51 0.00 0.00 179.97 178.43 1cww h ALA 53 N -0.13 0.64 -0.57 2.80 0.00 -0.64 -2.09 119.26 119.27 1cww h ALA 53 Ca -0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1cww h ALA 53 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1cww h ALA 53 CO 0.03 0.68 0.27 0.00 0.00 0.00 0.00 179.25 180.23 1cww h ALA 54 N 0.83 1.41 -0.33 0.00 0.00 -1.51 0.21 119.26 119.88 1cww h ALA 54 Ca 0.08 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1cww h ALA 54 Cb 0.90 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1cww h ALA 54 CO 0.08 0.46 -0.48 1.98 0.00 0.00 0.00 179.25 181.30 1cww h MET 55 N 0.79 0.91 -0.10 0.00 -1.53 0.58 0.43 114.93 116.02 1cww h MET 55 Ca 0.20 -0.53 -0.00 0.00 -3.44 0.00 0.00 59.70 55.92 1cww h MET 55 Cb 0.08 0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 31.18 1cww h MET 55 CO -0.03 1.18 0.05 1.25 0.14 0.00 0.00 176.91 179.51 1cww h LEU 56 N 0.71 0.12 -1.01 3.39 5.85 -0.94 0.71 115.31 124.14 1cww h LEU 56 Ca 0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1cww h LEU 56 Cb 1.08 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1cww h LEU 56 CO 0.11 0.16 0.00 0.40 -0.34 0.00 0.00 178.44 178.77 1cww h ILE 57 N 0.07 0.00 0.10 4.05 1.08 -0.88 -2.69 117.51 119.24 1cww h ILE 57 Ca 0.03 -0.44 -0.28 0.00 -0.39 0.00 0.00 64.86 63.78 1cww h ILE 57 Cb 0.06 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1cww h ILE 57 CO -0.01 0.00 -1.35 0.50 -0.69 0.00 0.00 178.15 176.60 1cww h LYS 58 N 0.00 0.21 0.49 2.37 1.63 0.79 -2.43 116.57 119.63 1cww h LYS 58 Ca 0.00 -0.37 -0.02 0.00 -0.85 0.00 0.00 60.65 59.41 1cww h LYS 58 Cb 0.51 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1cww h LYS 58 CO 0.00 1.11 -0.24 0.52 -3.45 0.00 0.00 179.45 177.40 1cww h MET 59 N 0.06 -0.64 -0.90 1.90 2.86 -0.57 -2.71 114.93 114.94 1cww h MET 59 Ca -0.17 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1cww h MET 59 Cb 1.97 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 33.71 1cww h MET 59 CO 0.17 -0.39 0.58 0.82 1.06 0.00 0.00 176.91 179.15 1cww h ILE 60 N -0.74 0.95 -1.03 -1.22 2.04 -1.63 -1.63 117.51 114.25 1cww h ILE 60 Ca -0.07 -0.30 0.26 0.00 1.00 0.00 0.00 64.86 65.76 1cww h ILE 60 Cb 0.54 0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 1cww h ILE 60 CO 0.11 0.16 0.67 0.25 0.00 0.00 0.00 178.15 179.34 1cww h LEU 61 N 0.87 0.41 -3.89 1.44 6.46 -1.10 -2.03 115.31 117.48 1cww h LEU 61 Ca 0.42 0.07 -0.33 0.00 -0.12 0.00 0.00 57.88 57.92 1cww h LEU 61 Cb 0.44 0.01 -0.33 0.00 -0.73 0.00 0.00 40.66 40.05 1cww h LEU 61 CO -0.18 0.09 -0.84 2.29 -0.62 0.00 0.00 178.44 179.18 1cww n LYS 62 N -4.58 2.41 0.00 1.25 2.85 -0.66 -5.04 118.16 114.39 1cww n LYS 62 Ca 0.25 -3.62 0.00 0.00 -1.05 0.00 0.00 58.31 53.88 1cww n LYS 62 Cb 0.88 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 1cww n LYS 62 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1cww n LYS 63 N -0.65 3.06 -3.89 -1.58 5.02 -0.76 -4.52 118.16 114.83 1cww n LYS 63 Ca 0.27 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.29 1cww n LYS 63 Cb 0.89 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.87 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 1.00 6.35 0.62 4.39 1.11 -1.26 -2.79 116.67 126.08 1cww s ASP 64 Ca 0.00 0.22 0.38 0.00 0.18 0.00 0.00 52.55 53.33 1cww s ASP 64 Cb 0.00 -1.93 2.04 0.00 1.07 0.00 0.00 42.92 44.09 1cww s ASP 64 CO 0.00 0.04 2.26 -0.55 1.18 0.00 0.00 175.17 178.10 1cww h ASN 65 N 2.15 0.00 -0.43 0.27 7.08 -1.47 -1.57 115.58 121.61 1cww h ASN 65 Ca -0.48 0.00 0.01 0.00 -3.08 0.00 0.00 56.30 52.75 1cww h ASN 65 Cb 1.19 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.41 1cww h ASN 65 CO 0.69 0.02 0.27 -0.78 -2.08 0.00 0.00 177.43 175.54 1cww h ASP 66 N 0.00 0.45 0.75 6.14 3.58 -1.94 0.49 116.42 125.89 1cww h ASP 66 Ca -0.00 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1cww h ASP 66 Cb 0.11 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1cww h ASP 66 CO 0.00 0.32 -0.47 0.28 -2.88 0.00 0.00 179.24 176.49 1cww h SER 67 N 0.54 0.00 -0.44 2.28 0.02 -1.71 -2.41 113.55 111.83 1cww h SER 67 Ca 0.16 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.99 1cww h SER 67 Cb -0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1cww h SER 67 CO -0.06 0.47 -0.21 0.22 -1.14 0.00 0.00 176.83 176.12 1cww h TYR 68 N 0.00 1.08 0.00 3.45 3.20 -0.66 0.64 116.97 124.67 1cww h TYR 68 Ca -0.00 -0.25 -0.10 0.00 3.14 0.00 0.00 58.73 61.51 1cww h TYR 68 Cb 0.98 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1cww h TYR 68 CO 0.00 1.06 -0.49 0.28 -1.64 0.00 0.00 178.16 177.37 1cww h VAL 69 N 0.82 1.24 0.05 1.81 2.07 0.14 0.39 116.25 122.78 1cww h VAL 69 Ca 0.11 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 1cww h VAL 69 Cb 0.77 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1cww h VAL 69 CO 0.06 0.48 -0.03 -1.28 0.02 0.00 0.00 177.57 176.82 1cww h SER 70 N 0.00 -0.06 -0.96 0.57 0.87 -0.91 -0.05 113.55 113.01 1cww h SER 70 Ca -0.00 -0.44 0.11 0.00 -1.23 0.00 0.00 61.79 60.23 1cww h SER 70 Cb 0.92 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.82 1cww h SER 70 CO 0.06 0.42 0.59 0.15 -0.53 0.00 0.00 176.83 177.52 1cww h PHE 71 N -0.56 1.07 -0.22 2.24 3.57 0.53 0.13 116.94 123.70 1cww h PHE 71 Ca -0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1cww h PHE 71 Cb 0.49 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1cww h PHE 71 CO 0.09 0.43 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.64 1cww h TYR 72 N 0.95 -0.08 -0.50 0.41 3.20 -0.01 -1.21 116.97 119.72 1cww h TYR 72 Ca 0.47 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 1cww h TYR 72 Cb 0.46 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1cww h TYR 72 CO -0.02 -0.08 0.31 -0.97 -1.64 0.00 0.00 178.16 175.77 1cww h ASN 73 N 0.02 0.59 0.18 -2.11 -1.24 0.64 -1.63 115.58 112.03 1cww h ASN 73 Ca 0.10 -0.03 -0.09 0.00 0.71 0.00 0.00 56.30 56.99 1cww h ASN 73 Cb 0.15 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1cww h ASN 73 CO -0.21 0.45 -0.34 0.00 -1.29 0.00 0.00 177.43 176.04 1cww h ALA 74 N 1.65 1.19 -0.54 1.57 0.00 0.07 -1.98 119.26 121.23 1cww h ALA 74 Ca 0.18 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1cww h ALA 74 Cb -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1cww h ALA 74 CO -0.04 0.54 -0.06 -0.07 0.00 0.00 0.00 179.25 179.62 1cww h LEU 75 N 0.22 0.96 -0.22 0.00 3.38 -0.31 -1.37 115.31 117.97 1cww h LEU 75 Ca 0.03 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1cww h LEU 75 Cb 0.71 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1cww h LEU 75 CO 0.05 1.05 0.00 0.18 0.09 0.00 0.00 178.44 179.82 1cww n LEU 76 N -4.16 0.34 0.03 1.67 4.32 -0.98 0.04 117.00 118.26 1cww n LEU 76 Ca 0.02 0.56 -0.13 0.00 -0.02 0.00 0.00 56.01 56.45 1cww n LEU 76 Cb 0.37 -0.49 -0.14 0.00 -1.62 0.00 0.00 43.42 41.54 1cww n LEU 76 CO 0.44 -0.29 -0.34 0.45 -1.22 0.00 0.00 177.39 176.44 1cww h HIS 77 N 0.00 0.24 -0.82 -1.77 3.86 -0.52 -3.38 115.15 112.75 1cww h HIS 77 Ca 0.00 -0.17 -0.58 0.00 -1.16 0.00 0.00 60.37 58.46 1cww h HIS 77 Cb 0.41 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.47 1cww h HIS 77 CO 0.00 1.23 -0.43 0.39 0.86 0.00 0.00 177.93 179.98 1cww n GLU 78 N -3.31 3.40 -2.16 2.45 -0.58 -0.94 -4.95 120.64 114.54 1cww n GLU 78 Ca -0.15 -3.97 -0.12 0.00 -0.42 0.00 0.00 57.16 52.50 1cww n GLU 78 Cb 1.03 -2.28 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 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 -0.76 -0.02 2.52 0.62 0.00 -1.21 -4.94 105.19 101.40 1cww n GLY 79 Ca 0.48 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.91 2.95 0.22 1.61 4.01 0.11 -4.80 117.16 117.34 1cww n TYR 80 Ca -0.14 -3.06 0.10 0.00 -0.16 0.00 0.00 57.90 54.65 1cww n TYR 80 Cb 0.59 -0.14 0.38 0.00 -0.31 0.00 0.00 39.34 39.86 1cww n TYR 80 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1cww h LYS 81 N 2.67 0.00 -0.01 -0.72 1.57 -1.89 -2.88 116.57 115.32 1cww h LYS 81 Ca 0.22 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.79 1cww h LYS 81 Cb 0.97 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.30 1cww h LYS 81 CO 0.78 0.19 -0.80 -0.44 -0.57 0.00 0.00 179.45 178.60 1cww h ASP 82 N 0.00 0.72 -0.39 0.86 5.19 -1.92 0.57 116.42 121.44 1cww h ASP 82 Ca -0.00 -0.74 -0.03 0.00 -0.62 0.00 0.00 57.03 55.64 1cww h ASP 82 Cb 0.85 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 1cww h ASP 82 CO 0.02 1.37 0.14 0.25 -3.12 0.00 0.00 179.24 177.91 1cww h LEU 83 N 0.15 0.55 -1.35 1.55 7.12 -1.95 -1.35 115.31 120.03 1cww h LEU 83 Ca -0.10 -0.18 -0.03 0.00 0.13 0.00 0.00 57.88 57.70 1cww h LEU 83 Cb 1.49 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.45 1cww h LEU 83 CO 0.16 0.59 0.08 0.00 -0.13 0.00 0.00 178.44 179.13 1cww h ALA 84 N 0.99 1.48 -0.33 1.25 0.00 -1.53 -1.29 119.26 119.83 1cww h ALA 84 Ca 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1cww h ALA 84 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1cww h ALA 84 CO -0.01 0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.58 1cww h ALA 85 N 1.58 1.31 0.00 0.00 0.00 -0.17 0.28 119.26 122.26 1cww h ALA 85 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1cww h ALA 85 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cww h ALA 85 CO -0.00 0.46 -0.08 -0.07 0.00 0.00 0.00 179.25 179.56 1cww h LEU 86 N 0.49 0.00 0.00 0.00 3.38 -0.15 -1.45 115.31 117.58 1cww h LEU 86 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1cww h LEU 86 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cww h LEU 86 CO 0.02 0.08 -1.29 0.18 0.09 0.00 0.00 178.44 177.52 1cww n LEU 87 N -3.67 0.52 0.22 1.67 4.77 0.17 -4.06 117.00 116.62 1cww n LEU 87 Ca -0.02 -0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.10 1cww n LEU 87 Cb 0.19 -0.06 0.77 0.00 -2.33 0.00 0.00 43.42 42.00 1cww n LEU 87 CO 0.29 0.02 0.96 -0.74 -1.33 0.00 0.00 177.39 176.58 1cww h HIS 88 N 0.00 0.00 0.00 -1.77 2.76 0.57 0.23 115.15 116.94 1cww h HIS 88 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1cww h HIS 88 Cb 0.82 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 1cww h HIS 88 CO 0.00 0.00 -0.14 0.22 -1.30 0.00 0.00 177.93 176.71 1cww h ASP 89 N 0.00 0.00 0.00 3.26 3.58 -1.70 -2.74 116.42 118.82 1cww h ASP 89 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cww h ASP 89 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1cww h ASP 89 CO 0.00 0.14 -1.56 0.61 -2.88 0.00 0.00 179.24 175.55 1cww n GLY 90 N -0.57 -0.65 3.62 -0.78 0.00 0.02 -4.83 105.19 102.01 1cww n GLY 90 Ca -0.02 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.96 4.11 -1.28 -0.61 -1.09 -0.91 -4.36 121.20 114.11 1cww s ILE 91 Ca -0.04 1.23 0.13 0.00 -2.23 0.00 0.00 60.65 59.74 1cww s ILE 91 Cb 0.10 -4.20 0.19 0.00 -1.58 0.00 0.00 42.46 36.97 1cww s ILE 91 CO 0.62 -0.55 1.37 -2.65 -1.23 0.00 0.00 174.94 172.50 1cww n PRO 92 N 7.46 0.12 -2.53 2.79 -0.02 -1.26 -4.55 135.00 137.02 1cww n PRO 92 Ca 0.15 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 1cww n PRO 92 Cb 0.47 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1cww n PRO 92 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cww s VAL 93 N -2.72 3.72 -0.23 -1.45 1.01 -1.26 -4.75 120.40 114.72 1cww s VAL 93 Ca 0.10 0.29 0.20 0.00 0.00 0.00 0.00 61.98 62.57 1cww s VAL 93 Cb 0.09 -4.89 0.49 0.00 0.00 0.00 0.00 36.38 32.06 1cww s VAL 93 CO 0.22 -1.83 1.14 0.55 0.00 0.00 0.00 175.10 175.17 1cww n VAL 94 N 6.47 1.38 0.00 2.92 3.14 -1.26 -4.91 118.33 126.06 1cww n VAL 94 Ca 0.07 -2.93 0.00 0.00 -2.96 0.00 0.00 64.34 58.52 1cww n VAL 94 Cb 0.49 0.77 0.00 0.00 -1.06 0.00 0.00 33.84 34.04 1cww n VAL 94 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1cww n SER 95 N -0.50 0.00 -3.80 6.55 3.41 -1.26 -4.79 113.62 113.22 1cww n SER 95 Ca 0.14 0.35 -0.29 0.00 -0.26 0.00 0.00 58.87 58.81 1cww n SER 95 Cb 0.87 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 1cww n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1cww s SER 96 N -2.87 3.97 0.00 4.04 0.01 -1.26 -5.33 113.70 112.26 1cww s SER 96 Ca 0.00 -3.14 0.29 0.00 1.31 0.00 0.00 55.95 54.41 1cww s SER 96 Cb 0.00 -1.33 1.34 0.00 0.21 0.00 0.00 66.02 66.24 1cww s SER 96 CO 0.00 -0.19 1.91 -1.20 0.41 0.00 0.00 173.24 174.17