#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 1.18 0.09 1.61 0.04 -1.26 -5.12 135.00 131.55 1cww s PRO -4 Ca 0.00 -0.79 0.06 0.00 0.04 0.00 0.00 61.00 60.31 1cww s PRO -4 Cb 0.00 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1cww s PRO -4 CO 0.00 -1.91 -0.15 -0.48 0.04 0.00 0.00 177.00 174.50 1cww s LEU -3 N -5.50 2.33 0.00 -3.56 2.34 -1.26 -5.14 118.68 107.89 1cww s LEU -3 Ca 0.70 -0.70 0.00 0.00 0.06 0.00 0.00 54.13 54.19 1cww s LEU -3 Cb -0.05 -0.59 0.00 0.00 -0.56 0.00 0.00 46.19 45.00 1cww s LEU -3 CO 0.48 -0.08 0.00 0.61 -1.06 0.00 0.00 176.35 176.31 1cww n GLY -2 N 0.98 -1.25 0.00 -3.48 0.00 -1.26 -5.16 105.19 95.03 1cww n GLY -2 Ca -0.19 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1cww n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cww n SER -1 N 0.20 0.00 -4.95 1.61 3.41 -1.26 -4.95 113.62 107.68 1cww n SER -1 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1cww n SER -1 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1cww n SER -1 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1cww s MET 1 N 2.48 3.45 0.09 4.33 1.75 -1.26 -1.86 119.30 128.28 1cww s MET 1 Ca 0.00 -0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 53.53 1cww s MET 1 Cb 0.00 -2.91 -0.06 0.00 2.84 0.00 0.00 34.83 34.70 1cww s MET 1 CO 0.00 0.46 1.08 0.34 -0.65 0.00 0.00 175.02 176.24 1cww s ASP 2 N -3.51 7.28 0.33 1.11 -1.08 -1.26 -4.87 116.67 114.66 1cww s ASP 2 Ca 0.35 1.91 0.06 0.00 -0.52 0.00 0.00 52.55 54.35 1cww s ASP 2 Cb -0.10 -2.59 0.58 0.00 -1.46 0.00 0.00 42.92 39.36 1cww s ASP 2 CO 0.29 -0.28 1.82 0.00 0.52 0.00 0.00 175.17 177.53 1cww h ALA 3 N 6.10 1.30 -0.07 3.66 0.00 -1.97 0.52 119.26 128.81 1cww h ALA 3 Ca -0.42 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 1cww h ALA 3 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1cww h ALA 3 CO 0.76 0.47 -0.68 -0.22 0.00 0.00 0.00 179.25 179.57 1cww h LYS 4 N 0.36 0.30 0.50 0.00 3.64 -1.96 -0.25 116.57 119.15 1cww h LYS 4 Ca 0.07 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1cww h LYS 4 Cb 0.50 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1cww h LYS 4 CO 0.03 0.87 -0.24 0.00 -2.27 0.00 0.00 179.45 177.84 1cww h ALA 5 N 1.07 -0.67 -0.36 5.00 0.00 -1.71 -1.68 119.26 120.91 1cww h ALA 5 Ca -0.02 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1cww h ALA 5 Cb 1.22 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1cww h ALA 5 CO 0.11 -0.62 0.26 -0.09 0.00 0.00 0.00 179.25 178.91 1cww h ARG 6 N -1.18 0.05 0.00 0.00 2.43 -0.03 -2.01 114.38 113.66 1cww h ARG 6 Ca -0.07 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1cww h ARG 6 Cb 0.51 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1cww h ARG 6 CO 0.11 0.03 -0.38 -0.91 -1.51 0.00 0.00 179.97 177.32 1cww h ASN 7 N 0.05 0.32 -0.02 -3.80 2.35 -1.06 -1.26 115.58 112.17 1cww h ASN 7 Ca 0.17 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 1cww h ASN 7 Cb 0.62 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1cww h ASN 7 CO -0.01 1.07 0.10 0.00 -1.65 0.00 0.00 177.43 176.94 1cww h LEU 9 N 0.00 0.00 -0.49 0.00 5.85 -1.28 -3.31 115.31 116.08 1cww h LEU 9 Ca 0.01 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1cww h LEU 9 Cb 0.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1cww h LEU 9 CO -0.00 0.42 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.89 1cww h LEU 10 N -0.80 0.00 -1.13 2.25 3.38 -0.73 -3.19 115.31 115.08 1cww h LEU 10 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1cww h LEU 10 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1cww h LEU 10 CO 0.00 0.55 -0.13 -0.61 0.09 0.00 0.00 178.44 178.34 1cww h GLN 11 N 0.00 0.45 -1.68 1.13 4.15 0.98 -2.27 115.11 117.87 1cww h GLN 11 Ca -0.01 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 1cww h GLN 11 Cb 1.21 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 1cww h GLN 11 CO 0.07 0.58 0.00 0.72 -1.93 0.00 0.00 178.83 178.28 1cww n HIS 12 N -4.21 0.02 -0.34 3.99 8.25 -1.21 -4.44 115.22 117.28 1cww n HIS 12 Ca 0.00 -0.85 0.34 0.00 -0.26 0.00 0.00 57.72 56.96 1cww n HIS 12 Cb 0.32 -0.42 0.72 0.00 1.12 0.00 0.00 29.99 31.72 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 0.69 0.06 0.00 -0.41 9.65 -1.59 0.99 114.38 123.76 1cww h ARG 13 Ca 0.00 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1cww h ARG 13 Cb 1.00 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1cww h ARG 13 CO 0.01 0.04 -0.13 0.93 2.80 0.00 0.00 179.97 183.62 1cww h GLU 14 N 0.06 0.00 0.00 0.20 4.39 -1.88 -2.95 114.58 114.39 1cww h GLU 14 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1cww h GLU 14 Cb 2.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.87 1cww h GLU 14 CO -0.06 0.13 -0.57 0.00 -1.16 0.00 0.00 179.01 177.35 1cww n ALA 15 N -2.25 2.38 -1.00 3.43 0.00 0.20 -4.70 120.51 118.57 1cww n ALA 15 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1cww n ALA 15 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.30 0.00 0.14 0.00 7.94 0.28 -1.30 117.00 122.77 1cww n LEU 16 Ca 0.00 0.39 0.16 0.00 -1.11 0.00 0.00 56.01 55.45 1cww n LEU 16 Cb 0.08 0.00 0.74 0.00 0.53 0.00 0.00 43.42 44.76 1cww n LEU 16 CO 0.08 0.00 1.14 -0.08 -1.11 0.00 0.00 177.39 177.43 1cww h GLU 17 N 0.00 0.00 -0.77 1.96 4.81 -1.87 0.26 114.58 118.97 1cww h GLU 17 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1cww h GLU 17 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1cww h GLU 17 CO 0.00 0.00 0.51 -0.22 -0.73 0.00 0.00 179.01 178.57 1cww h LYS 18 N 0.00 0.96 0.00 1.92 3.11 -1.74 -3.17 116.57 117.66 1cww h LYS 18 Ca 0.13 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.83 1cww h LYS 18 Cb 0.57 -0.22 -0.17 0.00 -1.00 0.00 0.00 32.23 31.41 1cww h LYS 18 CO -0.00 0.64 -0.71 -0.25 -2.81 0.00 0.00 179.45 176.32 1cww n ASP 19 N -4.44 1.36 -1.71 4.20 9.92 -0.39 -4.76 116.55 120.74 1cww n ASP 19 Ca 0.09 -2.96 -0.17 0.00 -0.53 0.00 0.00 54.79 51.21 1cww n ASP 19 Cb 0.07 -0.41 0.06 0.00 -0.64 0.00 0.00 41.12 40.20 1cww n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cww n ILE 20 N -0.39 2.46 -2.59 0.53 3.06 0.77 -4.94 119.36 118.26 1cww n ILE 20 Ca 0.12 -4.01 -0.39 0.00 -2.50 0.00 0.00 62.75 55.98 1cww n ILE 20 Cb 0.89 -0.94 -0.05 0.00 0.54 0.00 0.00 39.64 40.08 1cww n ILE 20 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1cww s LYS 21 N -3.52 4.60 0.00 9.51 1.02 -1.26 -4.81 119.74 125.28 1cww s LYS 21 Ca 0.48 1.62 0.00 0.00 0.02 0.00 0.00 55.97 58.09 1cww s LYS 21 Cb 0.40 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1cww s LYS 21 CO 0.02 0.23 0.00 -2.37 -0.92 0.00 0.00 175.35 172.31 1cww n THR 22 N 0.97 0.00 0.00 2.17 5.66 -1.26 -4.39 114.28 117.43 1cww n THR 22 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cww n THR 22 Cb 0.47 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.63 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 0.23 1.09 7.64 -1.26 -1.31 113.62 120.01 1cww n SER 23 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1cww n SER 23 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.04 -0.56 1.43 -1.99 -2.00 -1.18 116.97 111.64 1cww h TYR 24 Ca 0.00 0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.85 1cww h TYR 24 Cb 0.00 0.40 -0.09 0.00 2.00 0.00 0.00 36.73 39.04 1cww h TYR 24 CO 0.00 -0.51 0.00 0.82 -0.00 0.00 0.00 178.16 178.48 1cww h ILE 25 N -0.77 0.56 0.00 -2.88 2.04 -1.40 0.96 117.51 116.02 1cww h ILE 25 Ca -0.05 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1cww h ILE 25 Cb 0.66 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1cww h ILE 25 CO -0.03 0.02 -0.04 -0.03 0.00 0.00 0.00 178.15 178.07 1cww h MET 26 N 0.12 0.00 -0.17 2.37 4.05 -1.43 -2.33 114.93 117.53 1cww h MET 26 Ca 0.29 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.55 1cww h MET 26 Cb 0.44 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1cww h MET 26 CO -0.47 0.04 -0.56 0.22 0.23 0.00 0.00 176.91 176.38 1cww h ASP 27 N 0.00 0.59 0.40 1.39 3.58 0.48 -1.55 116.42 121.31 1cww h ASP 27 Ca -0.00 -0.32 -0.16 0.00 0.42 0.00 0.00 57.03 56.97 1cww h ASP 27 Cb 0.52 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1cww h ASP 27 CO 0.01 1.03 -0.68 0.45 -2.88 0.00 0.00 179.24 177.17 1cww h HIS 28 N 0.41 0.33 -0.23 0.28 3.86 -1.06 -2.02 115.15 116.71 1cww h HIS 28 Ca 0.01 -0.14 -0.18 0.00 -1.16 0.00 0.00 60.37 58.89 1cww h HIS 28 Cb 1.10 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.52 1cww h HIS 28 CO 0.04 0.85 -0.59 0.52 0.86 0.00 0.00 177.93 179.62 1cww h MET 29 N 0.17 0.76 -0.01 2.45 2.86 -1.18 -0.88 114.93 119.10 1cww h MET 29 Ca -0.02 -0.50 -0.16 0.00 -2.06 0.00 0.00 59.70 56.96 1cww h MET 29 Cb 1.22 0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.96 1cww h MET 29 CO 0.11 1.13 -0.61 0.82 1.06 0.00 0.00 176.91 179.41 1cww h ILE 30 N 0.57 1.41 0.00 -1.22 2.04 -1.30 -2.37 117.51 116.65 1cww h ILE 30 Ca 0.00 -2.06 -0.04 0.00 1.00 0.00 0.00 64.86 63.76 1cww h ILE 30 Cb 1.18 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 1cww h ILE 30 CO 0.12 0.60 -0.21 -1.28 0.00 0.00 0.00 178.15 177.38 1cww h SER 31 N -0.05 0.00 0.52 1.72 0.87 -1.43 -0.20 113.55 114.98 1cww h SER 31 Ca -0.07 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.38 1cww h SER 31 Cb 1.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1cww h SER 31 CO 0.12 0.21 -0.50 -0.78 -0.53 0.00 0.00 176.83 175.36 1cww h ASP 32 N 0.00 0.00 0.00 6.23 3.58 -1.09 -3.47 116.42 121.67 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 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1cww h ASP 32 CO 0.03 0.50 0.00 0.61 -2.88 0.00 0.00 179.24 177.49 1cww n GLY 33 N -0.07 0.52 0.14 -0.78 0.00 -0.09 -4.94 105.19 99.97 1cww n GLY 33 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.56 1.61 -1.00 -1.65 -3.41 116.94 108.93 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 -0.27 0.00 3.61 0.00 0.00 35.95 39.29 1cww h PHE 34 CO 0.00 0.51 -0.66 -0.51 -1.61 0.00 0.00 178.31 176.04 1cww s LEU 35 N -6.51 3.55 0.79 1.54 1.02 -0.96 -5.00 118.68 113.12 1cww s LEU 35 Ca 0.04 -0.64 -0.08 0.00 0.02 0.00 0.00 54.13 53.46 1cww s LEU 35 Cb 0.08 -1.83 0.12 0.00 0.02 0.00 0.00 46.19 44.58 1cww s LEU 35 CO 0.74 -0.14 1.11 0.42 0.02 0.00 0.00 176.35 178.50 1cww s THR 36 N 1.48 2.15 0.37 5.49 -4.23 -1.26 -4.34 115.64 115.29 1cww s THR 36 Ca 0.03 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1cww s THR 36 Cb -0.16 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.04 1cww s THR 36 CO 0.01 0.00 2.03 0.40 -0.54 0.00 0.00 174.62 176.51 1cww h ILE 37 N -0.92 1.14 -0.00 2.99 1.08 -1.98 0.40 117.51 120.23 1cww h ILE 37 Ca -0.43 -0.26 -0.16 0.00 -0.39 0.00 0.00 64.86 63.63 1cww h ILE 37 Cb 1.28 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 1cww h ILE 37 CO 0.50 0.14 -0.74 0.28 -0.69 0.00 0.00 178.15 177.64 1cww h SER 38 N 0.75 0.02 0.12 1.72 0.02 -1.98 0.37 113.55 114.56 1cww h SER 38 Ca 0.20 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1cww h SER 38 Cb -0.09 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1cww h SER 38 CO -0.04 0.75 -0.81 -0.33 -1.14 0.00 0.00 176.83 175.25 1cww h GLU 39 N 0.01 0.56 -0.16 3.45 5.08 -1.58 -3.17 114.58 118.76 1cww h GLU 39 Ca -0.01 -0.49 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1cww h GLU 39 Cb 1.31 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1cww h GLU 39 CO 0.10 1.12 -0.08 1.49 -1.00 0.00 0.00 179.01 180.63 1cww h GLU 40 N 0.36 0.34 -0.16 2.33 4.22 -0.09 -3.29 114.58 118.29 1cww h GLU 40 Ca -0.05 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 59.25 1cww h GLU 40 Cb 1.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1cww h GLU 40 CO 0.15 0.66 -0.10 -1.91 -2.18 0.00 0.00 179.01 175.63 1cww n GLU 41 N -4.62 -0.07 -0.05 1.92 0.00 0.13 -0.10 120.64 117.83 1cww n GLU 41 Ca -0.05 0.88 -0.12 0.00 0.00 0.00 0.00 57.16 57.87 1cww n GLU 41 Cb 0.30 -1.31 -0.06 0.00 0.00 0.00 0.00 31.44 30.38 1cww n GLU 41 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1cww h LYS 42 N 0.00 0.29 -0.80 5.31 3.64 -1.70 0.07 116.57 123.38 1cww h LYS 42 Ca 0.03 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1cww h LYS 42 Cb 0.07 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 1cww h LYS 42 CO -0.15 0.50 0.47 0.28 -2.27 0.00 0.00 179.45 178.28 1cww h VAL 43 N 0.05 0.97 0.00 2.00 2.07 -1.53 -2.03 116.25 117.78 1cww h VAL 43 Ca 0.05 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.10 1cww h VAL 43 Cb 0.36 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1cww h VAL 43 CO 0.01 0.15 -0.85 -0.09 0.02 0.00 0.00 177.57 176.81 1cww h ARG 44 N 0.83 0.00 0.00 1.57 1.12 -0.48 -3.30 114.38 114.12 1cww h ARG 44 Ca 0.37 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.24 1cww h ARG 44 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1cww h ARG 44 CO -0.21 0.85 0.00 -0.91 -3.11 0.00 0.00 179.97 176.59 1cww h ASN 45 N 0.00 0.00 -3.79 -3.80 2.35 -0.43 -3.47 115.58 106.45 1cww h ASN 45 Ca -0.01 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1cww h ASN 45 Cb 1.60 0.00 0.16 0.00 0.05 0.00 0.00 38.32 40.13 1cww h ASN 45 CO 0.11 0.00 0.25 -0.62 -1.65 0.00 0.00 177.43 175.52 1cww n GLU 46 N -2.81 0.91 0.04 0.81 -0.58 -0.81 -4.94 120.64 113.26 1cww n GLU 46 Ca 0.04 0.36 -0.09 0.00 -0.42 0.00 0.00 57.16 57.05 1cww n GLU 46 Cb 0.49 -2.30 -0.06 0.00 -0.57 0.00 0.00 31.44 29.00 1cww n GLU 46 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1cww h PRO 47 N 0.39 -0.38 0.00 3.49 0.11 -1.92 -3.45 132.00 130.23 1cww h PRO 47 Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cww h PRO 47 Cb 1.35 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1cww h PRO 47 CO 0.51 -0.26 0.00 0.25 -0.21 0.00 0.00 178.00 178.29 1cww n THR 48 N -4.15 0.00 -0.22 -1.15 -2.24 -1.26 -5.00 114.28 100.26 1cww n THR 48 Ca -0.04 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 62.05 1cww n THR 48 Cb 0.23 0.00 0.66 0.00 -2.10 0.00 0.00 70.33 69.12 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 5.75 -1.95 -0.27 115.11 117.87 1cww h GLN 49 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1cww h GLN 49 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1cww h GLN 49 CO 0.00 0.00 0.00 0.94 -2.65 0.00 0.00 178.83 177.12 1cww n GLN 50 N -3.72 0.00 0.00 1.69 7.27 -1.26 -1.28 117.38 120.08 1cww n GLN 50 Ca 0.22 0.14 0.13 0.00 0.07 0.00 0.00 57.00 57.56 1cww n GLN 50 Cb 1.26 -0.65 0.34 0.00 2.41 0.00 0.00 30.24 33.60 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 -0.29 0.74 0.13 3.69 -0.06 -1.17 -2.66 117.38 117.76 1cww n GLN 51 Ca 0.00 -0.45 -0.09 0.00 -2.00 0.00 0.00 57.00 54.46 1cww n GLN 51 Cb 0.00 -1.49 -0.05 0.00 -4.06 0.00 0.00 30.24 24.64 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 1.10 -0.39 -0.31 3.69 2.43 -1.02 0.52 114.38 120.40 1cww h ARG 52 Ca 0.00 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 1cww h ARG 52 Cb 0.52 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1cww h ARG 52 CO 0.00 -0.14 -0.34 0.00 -1.51 0.00 0.00 179.97 177.99 1cww h ALA 53 N -0.84 0.46 -0.26 2.80 0.00 -1.35 -2.54 119.26 117.53 1cww h ALA 53 Ca -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1cww h ALA 53 Cb 0.43 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1cww h ALA 53 CO 0.07 0.52 0.17 0.00 0.00 0.00 0.00 179.25 180.01 1cww h ALA 54 N 0.72 1.84 -0.18 0.00 0.00 -1.50 -0.24 119.26 119.90 1cww h ALA 54 Ca 0.05 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1cww h ALA 54 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1cww h ALA 54 CO 0.08 0.15 -0.54 1.98 0.00 0.00 0.00 179.25 180.92 1cww h MET 55 N 0.33 0.52 0.16 0.00 -1.53 -0.63 0.26 114.93 114.03 1cww h MET 55 Ca 0.10 -0.32 -0.01 0.00 -3.44 0.00 0.00 59.70 56.02 1cww h MET 55 Cb -0.01 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.08 1cww h MET 55 CO -0.02 0.93 -0.07 1.25 0.14 0.00 0.00 176.91 179.13 1cww h LEU 56 N 0.40 -0.18 -1.64 3.39 5.85 -0.77 0.28 115.31 122.64 1cww h LEU 56 Ca 0.01 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1cww h LEU 56 Cb 1.07 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1cww h LEU 56 CO 0.10 -0.04 -0.02 0.40 -0.34 0.00 0.00 178.44 178.54 1cww h ILE 57 N -0.31 1.11 -0.41 4.05 2.04 -0.98 -2.44 117.51 120.56 1cww h ILE 57 Ca -0.02 -0.42 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 1cww h ILE 57 Cb 0.24 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1cww h ILE 57 CO 0.04 0.14 -0.30 0.50 0.00 0.00 0.00 178.15 178.52 1cww h LYS 58 N 0.19 0.91 0.52 2.37 1.63 0.21 -0.33 116.57 122.07 1cww h LYS 58 Ca 0.05 -0.43 -0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1cww h LYS 58 Cb 0.18 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1cww h LYS 58 CO 0.01 1.08 -0.25 0.52 -3.45 0.00 0.00 179.45 177.36 1cww h MET 59 N 0.77 -0.68 -0.96 1.90 0.00 -0.48 -2.82 114.93 112.65 1cww h MET 59 Ca 0.08 0.05 0.06 0.00 0.00 0.00 0.00 59.70 59.89 1cww h MET 59 Cb 0.87 0.15 -0.06 0.00 0.00 0.00 0.00 31.60 32.56 1cww h MET 59 CO 0.08 -0.44 0.62 0.82 0.00 0.00 0.00 176.91 177.99 1cww h ILE 60 N -0.73 1.09 -0.98 -1.22 2.04 -1.51 -0.84 117.51 115.36 1cww h ILE 60 Ca -0.07 -0.39 0.21 0.00 1.00 0.00 0.00 64.86 65.61 1cww h ILE 60 Cb 0.55 -0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.40 1cww h ILE 60 CO 0.12 0.21 0.62 0.25 0.00 0.00 0.00 178.15 179.34 1cww h LEU 61 N 1.13 0.62 -4.03 1.44 6.46 -0.80 -2.06 115.31 118.06 1cww h LEU 61 Ca 0.41 0.08 -0.44 0.00 -0.12 0.00 0.00 57.88 57.81 1cww h LEU 61 Cb 0.16 -0.03 -0.39 0.00 -0.73 0.00 0.00 40.66 39.67 1cww h LEU 61 CO -0.16 0.21 -0.86 1.17 -0.62 0.00 0.00 178.44 178.18 1cww n LYS 62 N -4.67 2.99 0.00 1.25 4.81 -0.68 -4.99 118.16 116.88 1cww n LYS 62 Ca 0.23 -3.92 0.00 0.00 -0.87 0.00 0.00 58.31 53.75 1cww n LYS 62 Cb 0.66 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1cww n LYS 62 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1cww n LYS 63 N -0.69 0.00 -3.83 1.64 4.76 -0.41 -5.02 118.16 114.61 1cww n LYS 63 Ca 0.34 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.70 1cww n LYS 63 Cb 0.92 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.11 1cww n LYS 63 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1cww s ASP 64 N -1.00 -0.11 0.19 4.39 1.47 -1.26 -4.36 116.67 115.99 1cww s ASP 64 Ca 0.00 -0.84 -0.11 0.00 1.18 0.00 0.00 52.55 52.78 1cww s ASP 64 Cb 0.00 0.74 0.16 0.00 -0.34 0.00 0.00 42.92 43.49 1cww s ASP 64 CO 0.00 -1.44 1.82 -1.13 0.68 0.00 0.00 175.17 175.11 1cww h ASN 65 N 2.00 0.57 -0.13 2.11 -0.73 -1.71 0.41 115.58 118.10 1cww h ASN 65 Ca -0.26 0.01 0.02 0.00 1.87 0.00 0.00 56.30 57.94 1cww h ASN 65 Cb 1.25 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.71 1cww h ASN 65 CO 0.32 0.39 -0.00 0.44 -0.37 0.00 0.00 177.43 178.22 1cww h ASP 66 N 0.70 -0.05 0.68 1.15 3.32 -1.97 0.16 116.42 120.41 1cww h ASP 66 Ca 0.25 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.25 1cww h ASP 66 Cb 0.07 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1cww h ASP 66 CO -0.12 -0.01 -0.39 0.28 -1.72 0.00 0.00 179.24 177.28 1cww h SER 67 N 0.04 0.00 -0.22 6.45 0.02 -1.91 -2.37 113.55 115.57 1cww h SER 67 Ca 0.06 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1cww h SER 67 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1cww h SER 67 CO -0.11 0.39 -0.20 0.22 -1.14 0.00 0.00 176.83 176.00 1cww h TYR 68 N 0.00 0.63 0.00 3.45 3.20 -0.18 0.64 116.97 124.72 1cww h TYR 68 Ca -0.00 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.63 1cww h TYR 68 Cb 0.83 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1cww h TYR 68 CO 0.00 0.85 -0.27 0.28 -1.64 0.00 0.00 178.16 177.38 1cww h VAL 69 N 0.22 0.95 -0.05 1.81 2.07 -0.60 0.33 116.25 120.98 1cww h VAL 69 Ca 0.04 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1cww h VAL 69 Cb 0.74 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1cww h VAL 69 CO 0.05 0.27 -0.16 -1.28 0.02 0.00 0.00 177.57 176.46 1cww h SER 70 N 0.00 0.23 -0.89 0.57 0.87 -1.03 0.53 113.55 113.82 1cww h SER 70 Ca -0.00 -0.62 0.04 0.00 -1.23 0.00 0.00 61.79 59.98 1cww h SER 70 Cb 0.57 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1cww h SER 70 CO 0.04 0.81 0.58 0.15 -0.53 0.00 0.00 176.83 177.88 1cww h PHE 71 N -0.34 1.06 -0.36 2.24 3.57 0.82 0.11 116.94 124.04 1cww h PHE 71 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1cww h PHE 71 Cb 0.79 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1cww h PHE 71 CO 0.13 0.60 0.23 -0.92 -2.23 0.00 0.00 178.31 176.12 1cww h TYR 72 N 1.08 0.46 -0.76 0.41 3.20 -0.25 -2.14 116.97 118.98 1cww h TYR 72 Ca 0.36 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.27 1cww h TYR 72 Cb 0.07 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 1cww h TYR 72 CO -0.00 0.30 0.47 -0.97 -1.64 0.00 0.00 178.16 176.33 1cww h ASN 73 N 0.48 0.77 -0.01 -2.11 -0.73 0.70 -1.67 115.58 113.02 1cww h ASN 73 Ca 0.13 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.27 1cww h ASN 73 Cb -0.04 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 1cww h ASN 73 CO -0.03 0.53 -0.08 0.00 -0.37 0.00 0.00 177.43 177.48 1cww h ALA 74 N 1.33 1.61 -0.22 1.57 0.00 -0.39 0.11 119.26 123.27 1cww h ALA 74 Ca 0.31 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1cww h ALA 74 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1cww h ALA 74 CO -0.12 0.28 -0.32 -0.07 0.00 0.00 0.00 179.25 179.03 1cww h LEU 75 N 0.21 0.47 0.00 0.00 3.38 -0.68 -2.38 115.31 116.31 1cww h LEU 75 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1cww h LEU 75 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cww h LEU 75 CO 0.01 0.76 -0.31 -0.07 0.09 0.00 0.00 178.44 178.93 1cww h LEU 76 N 0.40 0.00 -1.00 1.67 4.07 -0.92 -1.29 115.31 118.24 1cww h LEU 76 Ca 0.05 -0.05 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1cww h LEU 76 Cb 0.75 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1cww h LEU 76 CO 0.06 0.03 -0.27 -0.74 -1.08 0.00 0.00 178.44 176.43 1cww h HIS 77 N 0.00 0.00 0.00 1.13 2.76 -0.30 -3.45 115.15 115.29 1cww h HIS 77 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1cww h HIS 77 Cb 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1cww h HIS 77 CO 0.00 0.27 0.00 0.39 -1.30 0.00 0.00 177.93 177.29 1cww n GLU 78 N -3.42 2.84 -2.34 5.26 -0.58 -1.11 -5.05 120.64 116.24 1cww n GLU 78 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1cww n GLU 78 Cb 0.47 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.34 1cww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cww n GLY 79 N 5.00 6.02 2.18 0.62 0.00 -1.25 -4.71 105.19 113.06 1cww n GLY 79 Ca 0.00 -2.72 -0.19 0.00 0.00 0.00 0.00 46.02 43.11 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 -0.53 2.41 0.22 1.61 4.02 -0.49 -4.80 117.16 119.60 1cww n TYR 80 Ca 0.42 -2.19 0.11 0.00 -0.01 0.00 0.00 57.90 56.22 1cww n TYR 80 Cb 0.66 -0.32 0.37 0.00 -0.02 0.00 0.00 39.34 40.04 1cww n TYR 80 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1cww h LYS 81 N 2.26 0.00 -0.12 -0.72 3.64 -1.83 -2.73 116.57 117.06 1cww h LYS 81 Ca 0.26 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.47 1cww h LYS 81 Cb 1.48 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1cww h LYS 81 CO 0.63 0.16 -0.60 0.22 -2.27 0.00 0.00 179.45 177.59 1cww h ASP 82 N 0.00 0.73 -0.32 4.20 3.58 -1.92 0.17 116.42 122.86 1cww h ASP 82 Ca -0.00 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 56.79 1cww h ASP 82 Cb 0.86 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1cww h ASP 82 CO 0.02 1.25 0.12 0.25 -2.88 0.00 0.00 179.24 178.00 1cww h LEU 83 N 0.27 0.46 -1.09 2.28 7.12 -1.92 -1.72 115.31 120.70 1cww h LEU 83 Ca -0.04 -0.18 0.03 0.00 0.13 0.00 0.00 57.88 57.82 1cww h LEU 83 Cb 1.24 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 41.20 1cww h LEU 83 CO 0.12 0.52 0.62 0.00 -0.13 0.00 0.00 178.44 179.57 1cww h ALA 84 N 0.96 1.38 -0.22 1.25 0.00 -1.45 -0.98 119.26 120.21 1cww h ALA 84 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1cww h ALA 84 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cww h ALA 84 CO -0.01 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 1cww h ALA 85 N 1.44 1.53 0.00 0.00 0.00 -0.11 0.38 119.26 122.50 1cww h ALA 85 Ca 0.36 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1cww h ALA 85 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cww h ALA 85 CO -0.10 0.34 -0.19 -0.07 0.00 0.00 0.00 179.25 179.23 1cww h LEU 86 N 0.32 0.00 0.00 0.00 3.38 -0.30 -2.12 115.31 116.59 1cww h LEU 86 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1cww h LEU 86 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1cww h LEU 86 CO 0.01 0.19 -0.92 0.18 0.09 0.00 0.00 178.44 177.99 1cww n LEU 87 N -4.04 0.86 0.27 1.67 4.32 -0.08 -4.26 117.00 115.74 1cww n LEU 87 Ca -0.02 -0.37 0.18 0.00 -0.02 0.00 0.00 56.01 55.78 1cww n LEU 87 Cb 0.27 -0.06 0.94 0.00 -1.62 0.00 0.00 43.42 42.95 1cww n LEU 87 CO 0.34 0.21 1.15 -0.74 -1.22 0.00 0.00 177.39 177.14 1cww h HIS 88 N 0.00 0.00 0.00 -1.77 2.76 0.38 0.23 115.15 116.75 1cww h HIS 88 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1cww h HIS 88 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1cww h HIS 88 CO 0.00 0.00 0.00 -0.25 -1.30 0.00 0.00 177.93 176.38 1cww n ASP 89 N -3.54 0.44 -0.00 3.26 8.00 -1.26 -2.58 116.55 120.87 1cww n ASP 89 Ca -0.01 0.62 0.03 0.00 0.71 0.00 0.00 54.79 56.14 1cww n ASP 89 Cb 0.21 -0.71 -0.04 0.00 -0.02 0.00 0.00 41.12 40.56 1cww n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cww n GLY 90 N -0.24 -0.08 3.72 0.44 0.00 0.76 -4.80 105.19 104.98 1cww n GLY 90 Ca 0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.18 3.93 0.32 -0.61 -1.09 -0.87 -4.69 121.20 116.01 1cww s ILE 91 Ca -0.01 1.41 0.09 0.00 -2.23 0.00 0.00 60.65 59.91 1cww s ILE 91 Cb 0.03 -3.91 0.32 0.00 -1.58 0.00 0.00 42.46 37.33 1cww s ILE 91 CO 0.22 0.13 1.66 -0.65 -1.23 0.00 0.00 174.94 175.06 1cww h PRO 92 N 6.58 0.27 -5.24 2.79 0.11 -1.94 -3.28 132.00 131.29 1cww h PRO 92 Ca -0.42 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 1cww h PRO 92 Cb 1.21 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 1cww h PRO 92 CO 0.81 0.18 2.49 1.33 -0.21 0.00 0.00 178.00 182.59 1cww n VAL 93 N -5.13 3.73 -1.98 3.15 0.24 -1.26 -4.77 118.33 112.31 1cww n VAL 93 Ca 0.27 -3.69 -0.38 0.00 -2.04 0.00 0.00 64.34 58.50 1cww n VAL 93 Cb 0.85 -2.43 0.04 0.00 -1.47 0.00 0.00 33.84 30.82 1cww n VAL 93 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1cww n VAL 94 N 6.00 3.45 0.00 3.34 0.24 -1.24 -4.92 118.33 125.21 1cww n VAL 94 Ca 0.50 -4.36 0.00 0.00 -2.04 0.00 0.00 64.34 58.44 1cww n VAL 94 Cb 0.44 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1cww n VAL 94 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1cww n SER 95 N -0.54 0.00 -4.75 -1.34 2.88 -1.26 -4.85 113.62 103.76 1cww n SER 95 Ca 0.52 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.66 1cww n SER 95 Cb 0.29 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 1cww n SER 95 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1cww s SER 96 N 0.00 7.49 0.00 -3.46 0.01 -1.26 -5.27 113.70 111.21 1cww s SER 96 Ca 0.00 1.77 0.15 0.00 1.31 0.00 0.00 55.95 59.18 1cww s SER 96 Cb 0.00 -2.56 0.12 0.00 0.21 0.00 0.00 66.02 63.79 1cww s SER 96 CO 0.00 0.11 0.97 -1.20 0.41 0.00 0.00 173.24 173.53