#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 2.61 -0.15 1.61 0.02 -1.26 -4.95 135.00 132.88 1cww s PRO -4 Ca 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 61.00 61.07 1cww s PRO -4 Cb 0.00 -4.79 -0.01 0.00 0.02 0.00 0.00 34.50 29.72 1cww s PRO -4 CO 0.00 -3.09 -0.12 -0.51 -0.33 0.00 0.00 177.00 172.95 1cww s LEU -3 N 9.56 2.68 -0.64 -5.54 1.43 -1.26 -4.72 118.68 120.19 1cww s LEU -3 Ca 0.68 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1cww s LEU -3 Cb -0.09 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1cww s LEU -3 CO 0.08 0.12 0.57 0.61 0.23 0.00 0.00 176.35 177.95 1cww n GLY -2 N 3.84 -0.60 2.22 -3.19 0.00 -1.25 -4.97 105.19 101.25 1cww n GLY -2 Ca -0.18 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.32 6.07 -4.62 1.61 7.64 -1.19 -4.96 113.62 115.86 1cww n SER -1 Ca -0.03 -3.77 -0.37 0.00 1.01 0.00 0.00 58.87 55.71 1cww n SER -1 Cb 0.56 -0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 63.03 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 -3.71 4.00 0.34 1.43 0.00 -1.25 -0.86 119.30 119.25 1cww s MET 1 Ca 0.56 -0.30 -0.29 0.00 0.00 0.00 0.00 55.69 55.66 1cww s MET 1 Cb 0.45 -3.53 -0.11 0.00 0.00 0.00 0.00 34.83 31.64 1cww s MET 1 CO -0.02 -0.01 1.41 -0.51 0.00 0.00 0.00 175.02 175.89 1cww s ASP 2 N 1.24 6.56 0.15 1.11 1.11 -1.26 -4.82 116.67 120.76 1cww s ASP 2 Ca 0.07 2.85 -0.16 0.00 0.18 0.00 0.00 52.55 55.49 1cww s ASP 2 Cb -0.14 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.21 1cww s ASP 2 CO 0.06 -0.71 1.80 0.00 1.18 0.00 0.00 175.17 177.49 1cww h ALA 3 N 3.48 0.47 -0.81 5.23 0.00 -1.97 0.51 119.26 126.18 1cww h ALA 3 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1cww h ALA 3 Cb 1.23 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1cww h ALA 3 CO 0.67 -0.10 0.42 -0.22 0.00 0.00 0.00 179.25 180.02 1cww h LYS 4 N 0.47 1.14 0.60 0.00 1.63 -1.96 0.19 116.57 118.64 1cww h LYS 4 Ca 0.14 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1cww h LYS 4 Cb -0.02 -0.22 0.01 0.00 -0.60 0.00 0.00 32.23 31.40 1cww h LYS 4 CO -0.05 0.85 -0.29 0.00 -3.45 0.00 0.00 179.45 176.51 1cww h ALA 5 N 1.32 -0.83 -0.65 5.00 0.00 -1.65 -1.08 119.26 121.37 1cww h ALA 5 Ca 0.28 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1cww h ALA 5 Cb 0.06 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1cww h ALA 5 CO -0.04 -0.77 0.44 -0.09 0.00 0.00 0.00 179.25 178.80 1cww h ARG 6 N -1.19 0.29 0.01 0.00 2.43 0.10 -2.25 114.38 113.76 1cww h ARG 6 Ca -0.08 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1cww h ARG 6 Cb 0.62 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1cww h ARG 6 CO 0.14 0.19 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.66 1cww h ASN 7 N 0.30 0.18 -0.29 -3.80 2.35 -0.64 -1.63 115.58 112.05 1cww h ASN 7 Ca 0.31 -0.81 0.08 0.00 -0.55 0.00 0.00 56.30 55.34 1cww h ASN 7 Cb 0.82 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1cww h ASN 7 CO -0.08 0.97 0.44 0.00 -1.65 0.00 0.00 177.43 177.11 1cww h LEU 9 N 0.00 0.00 -0.18 0.00 5.85 -1.41 -3.33 115.31 116.24 1cww h LEU 9 Ca 0.14 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.64 1cww h LEU 9 Cb 1.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1cww h LEU 9 CO -0.00 0.56 -0.95 -0.07 -0.34 0.00 0.00 178.44 177.64 1cww h LEU 10 N -0.95 0.30 -1.74 2.25 3.38 -0.60 -3.22 115.31 114.73 1cww h LEU 10 Ca 0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1cww h LEU 10 Cb 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1cww h LEU 10 CO 0.00 1.09 -0.17 -0.61 0.09 0.00 0.00 178.44 178.84 1cww h GLN 11 N 0.11 0.00 -1.57 1.13 4.15 0.17 -1.64 115.11 117.46 1cww h GLN 11 Ca -0.06 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.26 1cww h GLN 11 Cb 1.61 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.25 1cww h GLN 11 CO 0.15 0.17 0.12 0.72 -1.93 0.00 0.00 178.83 178.06 1cww n HIS 12 N -3.99 0.49 0.10 3.99 8.25 -1.22 -4.29 115.22 118.56 1cww n HIS 12 Ca -0.02 -1.11 0.01 0.00 -0.26 0.00 0.00 57.72 56.34 1cww n HIS 12 Cb 0.26 -0.55 0.06 0.00 1.12 0.00 0.00 29.99 30.88 1cww n HIS 12 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1cww n ARG 13 N 0.84 0.01 0.26 -0.41 0.00 -0.62 0.26 116.66 117.00 1cww n ARG 13 Ca 0.10 0.43 0.14 0.00 -0.00 0.00 0.00 57.85 58.51 1cww n ARG 13 Cb 0.58 -1.50 0.68 0.00 -0.00 0.00 0.00 32.46 32.22 1cww n ARG 13 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1cww h GLU 14 N 0.00 0.00 0.00 2.89 4.81 -1.87 -3.10 114.58 117.31 1cww h GLU 14 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cww h GLU 14 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1cww h GLU 14 CO 0.00 0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.38 1cww n ALA 15 N -2.18 1.18 -1.00 2.92 0.00 0.14 -4.78 120.51 116.79 1cww n ALA 15 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1cww n ALA 15 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.19 0.00 0.27 0.00 7.94 0.14 0.09 117.00 125.25 1cww n LEU 16 Ca 0.00 0.16 0.12 0.00 -1.11 0.00 0.00 56.01 55.18 1cww n LEU 16 Cb 0.08 0.00 0.78 0.00 0.53 0.00 0.00 43.42 44.80 1cww n LEU 16 CO 0.00 0.00 1.05 -0.08 -1.11 0.00 0.00 177.39 177.25 1cww h GLU 17 N 0.00 0.00 -0.54 1.96 4.81 -1.85 0.72 114.58 119.68 1cww h GLU 17 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1cww h GLU 17 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1cww h GLU 17 CO 0.00 0.06 0.23 -0.22 -0.73 0.00 0.00 179.01 178.35 1cww h LYS 18 N 0.00 0.80 0.00 1.92 1.63 -1.83 -3.38 116.57 115.71 1cww h LYS 18 Ca -0.00 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.53 1cww h LYS 18 Cb 0.14 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1cww h LYS 18 CO 0.01 0.69 -1.52 -3.47 -3.45 0.00 0.00 179.45 171.70 1cww n ASP 19 N -4.53 3.28 -4.53 4.20 2.03 0.11 -4.98 116.55 112.14 1cww n ASP 19 Ca 0.03 -0.04 -0.45 0.00 0.52 0.00 0.00 54.79 54.85 1cww n ASP 19 Cb 0.15 -0.06 -0.05 0.00 -0.72 0.00 0.00 41.12 40.44 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 -2.72 0.19 -3.78 5.18 5.41 0.25 -4.95 119.36 118.94 1cww n ILE 20 Ca -0.16 -0.43 -0.33 0.00 1.00 0.00 0.00 62.75 62.83 1cww n ILE 20 Cb 0.68 -2.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.38 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 6.78 3.55 0.00 0.38 2.20 -1.26 -4.72 119.74 126.67 1cww s LYS 21 Ca 1.05 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1cww s LYS 21 Cb -0.54 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1cww s LYS 21 CO 0.39 0.60 0.00 -2.37 -0.36 0.00 0.00 175.35 173.61 1cww n THR 22 N 0.70 0.00 0.00 3.43 5.66 -1.26 -4.49 114.28 118.32 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 0.52 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 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 0.13 1.09 7.64 -1.26 -0.09 113.62 121.13 1cww n SER 23 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1cww n SER 23 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.32 -0.87 1.43 -1.99 -1.99 -0.45 116.97 112.78 1cww h TYR 24 Ca 0.00 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.80 1cww h TYR 24 Cb 0.00 0.11 -0.06 0.00 2.00 0.00 0.00 36.73 38.78 1cww h TYR 24 CO 0.00 0.02 0.57 0.82 -0.00 0.00 0.00 178.16 179.57 1cww h ILE 25 N -0.70 1.03 0.00 -2.88 2.04 -0.79 0.11 117.51 116.32 1cww h ILE 25 Ca -0.04 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 1cww h ILE 25 Cb 0.48 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1cww h ILE 25 CO 0.06 0.17 -0.41 -0.03 0.00 0.00 0.00 178.15 177.94 1cww h MET 26 N 0.94 0.00 -0.42 2.37 4.05 -0.46 -2.63 114.93 118.78 1cww h MET 26 Ca 0.38 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.71 1cww h MET 26 Cb 0.27 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1cww h MET 26 CO -0.15 0.41 -0.11 0.22 0.23 0.00 0.00 176.91 177.51 1cww h ASP 27 N 0.00 0.74 0.16 1.39 1.82 0.97 -1.66 116.42 119.85 1cww h ASP 27 Ca -0.00 -0.22 -0.13 0.00 -0.39 0.00 0.00 57.03 56.28 1cww h ASP 27 Cb 0.80 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1cww h ASP 27 CO 0.05 0.88 -0.49 0.45 -1.61 0.00 0.00 179.24 178.53 1cww h HIS 28 N 0.68 0.46 -0.33 0.28 3.86 -1.19 -1.52 115.15 117.39 1cww h HIS 28 Ca 0.12 -0.15 -0.12 0.00 -1.16 0.00 0.00 60.37 59.06 1cww h HIS 28 Cb 0.58 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1cww h HIS 28 CO 0.03 0.79 -0.27 0.52 0.86 0.00 0.00 177.93 179.86 1cww h MET 29 N 0.30 0.68 -0.01 2.45 2.86 -1.06 -1.40 114.93 118.74 1cww h MET 29 Ca 0.02 -0.29 -0.23 0.00 -2.06 0.00 0.00 59.70 57.14 1cww h MET 29 Cb 0.97 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.61 1cww h MET 29 CO 0.08 0.88 -0.93 0.82 1.06 0.00 0.00 176.91 178.82 1cww h ILE 30 N 0.58 1.37 0.00 -1.22 2.04 -1.21 -2.56 117.51 116.52 1cww h ILE 30 Ca 0.08 -2.37 -0.04 0.00 1.00 0.00 0.00 64.86 63.53 1cww h ILE 30 Cb 0.76 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1cww h ILE 30 CO 0.06 0.71 -0.18 0.28 0.00 0.00 0.00 178.15 179.02 1cww h SER 31 N 0.27 0.00 0.85 1.72 0.02 -1.14 0.23 113.55 115.51 1cww h SER 31 Ca -0.08 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1cww h SER 31 Cb 1.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.09 1cww h SER 31 CO 0.17 0.18 -0.51 0.44 -1.14 0.00 0.00 176.83 175.97 1cww h ASP 32 N 0.00 0.00 0.00 3.07 3.32 -1.05 -3.47 116.42 118.29 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cww h ASP 32 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1cww h ASP 32 CO 0.02 0.51 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 1cww n GLY 33 N 0.42 0.69 0.20 2.75 0.00 0.07 -4.93 105.19 104.39 1cww n GLY 33 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.51 1.61 -1.00 -1.68 -3.41 116.94 108.95 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 -0.27 0.00 3.61 0.00 0.00 35.95 39.29 1cww h PHE 34 CO 0.00 0.14 -0.68 -0.51 -1.61 0.00 0.00 178.31 175.65 1cww s LEU 35 N -6.29 3.30 0.62 1.54 1.02 -1.16 -5.00 118.68 112.70 1cww s LEU 35 Ca 0.06 -0.53 -0.11 0.00 0.02 0.00 0.00 54.13 53.57 1cww s LEU 35 Cb 0.06 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 1cww s LEU 35 CO 0.68 -0.09 1.03 -0.89 0.02 0.00 0.00 176.35 177.10 1cww s THR 36 N 1.48 4.61 0.29 5.49 2.01 -1.26 -4.57 115.64 123.70 1cww s THR 36 Ca 0.04 0.82 0.04 0.00 0.31 0.00 0.00 61.69 62.90 1cww s THR 36 Cb -0.16 -3.83 0.28 0.00 0.01 0.00 0.00 72.50 68.80 1cww s THR 36 CO -0.01 -1.09 1.77 0.40 -0.69 0.00 0.00 174.62 175.00 1cww h ILE 37 N -0.33 0.70 -0.42 1.82 2.04 -1.98 0.44 117.51 119.78 1cww h ILE 37 Ca -0.44 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.07 1cww h ILE 37 Cb 1.20 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1cww h ILE 37 CO 0.62 0.13 -0.17 0.77 0.00 0.00 0.00 178.15 179.50 1cww h SER 38 N 0.71 0.82 -0.54 1.72 4.64 -1.99 0.31 113.55 119.21 1cww h SER 38 Ca 0.55 -0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 61.49 1cww h SER 38 Cb 0.85 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1cww h SER 38 CO -0.39 0.98 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.42 1cww h GLU 39 N 0.72 1.00 -0.19 4.77 4.81 -1.12 -2.70 114.58 121.87 1cww h GLU 39 Ca 0.11 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1cww h GLU 39 Cb 0.69 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1cww h GLU 39 CO 0.05 1.03 0.09 1.49 -0.73 0.00 0.00 179.01 180.93 1cww h GLU 40 N 0.87 0.28 -0.31 1.92 4.81 0.07 -3.01 114.58 119.21 1cww h GLU 40 Ca 0.15 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1cww h GLU 40 Cb 0.61 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 1cww h GLU 40 CO 0.04 0.32 -0.29 0.93 -0.73 0.00 0.00 179.01 179.28 1cww h GLU 41 N 0.17 -0.26 -0.09 1.92 5.08 -0.17 -0.69 114.58 120.54 1cww h GLU 41 Ca 0.07 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1cww h GLU 41 Cb 0.14 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1cww h GLU 41 CO -0.01 -0.17 0.04 0.87 -1.00 0.00 0.00 179.01 178.74 1cww h LYS 42 N -0.27 0.13 -0.10 2.33 1.79 -1.49 0.29 116.57 119.26 1cww h LYS 42 Ca 0.15 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1cww h LYS 42 Cb 0.51 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.09 1cww h LYS 42 CO -0.46 0.24 -0.24 0.28 -1.08 0.00 0.00 179.45 178.19 1cww h VAL 43 N -0.01 0.42 -0.48 0.50 2.07 -1.37 -2.44 116.25 114.95 1cww h VAL 43 Ca 0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1cww h VAL 43 Cb 0.16 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1cww h VAL 43 CO -0.00 0.00 -0.07 -0.09 0.02 0.00 0.00 177.57 177.43 1cww h ARG 44 N -0.32 0.84 0.00 1.57 2.43 -1.06 -3.06 114.38 114.77 1cww h ARG 44 Ca 0.09 -0.26 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1cww h ARG 44 Cb 0.46 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1cww h ARG 44 CO -0.28 0.88 -0.14 -0.91 -1.51 0.00 0.00 179.97 178.01 1cww h ASN 45 N 0.76 0.00 -4.08 -3.80 2.35 -0.02 -3.44 115.58 107.36 1cww h ASN 45 Ca 0.13 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.34 1cww h ASN 45 Cb 0.56 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.06 1cww h ASN 45 CO 0.03 0.14 0.53 -1.61 -1.65 0.00 0.00 177.43 174.88 1cww s GLU 46 N -4.16 2.95 0.00 0.81 0.41 -0.95 -4.97 118.70 112.79 1cww s GLU 46 Ca -0.03 2.04 0.00 0.00 -0.41 0.00 0.00 54.97 56.58 1cww s GLU 46 Cb 0.13 -2.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.43 1cww s GLU 46 CO 0.60 -1.28 0.20 -2.30 -0.49 0.00 0.00 175.26 171.99 1cww n PRO 47 N -1.42 0.00 -1.29 0.39 -0.02 -1.26 -4.71 135.00 126.69 1cww n PRO 47 Ca 0.13 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1cww n PRO 47 Cb 0.47 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.36 1cww n PRO 47 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1cww n THR 48 N -0.46 0.00 0.30 3.45 -2.24 -1.26 -4.95 114.28 109.11 1cww n THR 48 Ca 0.00 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.95 1cww n THR 48 Cb 0.00 0.00 0.88 0.00 -2.10 0.00 0.00 70.33 69.11 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 -0.07 -0.78 4.15 -1.94 0.40 115.11 116.87 1cww h GLN 49 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1cww h GLN 49 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1cww h GLN 49 CO 0.00 0.00 -0.17 0.37 -1.93 0.00 0.00 178.83 177.10 1cww h GLN 50 N 0.00 -0.16 0.00 1.69 4.15 -1.96 0.65 115.11 119.48 1cww h GLN 50 Ca 0.03 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1cww h GLN 50 Cb 0.59 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1cww h GLN 50 CO -0.00 -0.10 -0.71 0.94 -1.93 0.00 0.00 178.83 177.03 1cww n GLN 51 N -3.49 0.24 0.21 1.69 -0.06 -0.85 -2.64 117.38 112.48 1cww n GLN 51 Ca -0.02 0.05 -0.11 0.00 -2.00 0.00 0.00 57.00 54.93 1cww n GLN 51 Cb 0.11 -1.63 -0.05 0.00 -4.06 0.00 0.00 30.24 24.61 1cww n GLN 51 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1cww h ARG 52 N 0.00 -0.58 -0.51 3.69 9.65 0.15 0.13 114.38 126.90 1cww h ARG 52 Ca 0.00 0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.82 1cww h ARG 52 Cb 0.70 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 1cww h ARG 52 CO 0.00 -0.33 -0.06 0.00 2.80 0.00 0.00 179.97 182.37 1cww h ALA 53 N -1.00 0.70 -0.90 2.80 0.00 0.14 -1.55 119.26 119.45 1cww h ALA 53 Ca -0.06 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1cww h ALA 53 Cb 0.52 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1cww h ALA 53 CO 0.10 0.57 0.59 0.00 0.00 0.00 0.00 179.25 180.51 1cww h ALA 54 N 0.92 1.17 -0.24 0.00 0.00 -1.53 0.12 119.26 119.70 1cww h ALA 54 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1cww h ALA 54 Cb 0.61 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1cww h ALA 54 CO 0.04 0.49 -0.06 1.98 0.00 0.00 0.00 179.25 181.70 1cww h MET 55 N 1.17 0.46 0.14 0.00 -1.53 -0.48 0.25 114.93 114.94 1cww h MET 55 Ca 0.35 -0.18 0.00 0.00 -3.44 0.00 0.00 59.70 56.43 1cww h MET 55 Cb -0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 1cww h MET 55 CO -0.10 0.69 -0.11 1.25 0.14 0.00 0.00 176.91 178.78 1cww h LEU 56 N 0.20 -0.29 -1.64 3.39 5.85 -0.88 -0.57 115.31 121.37 1cww h LEU 56 Ca 0.06 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1cww h LEU 56 Cb 0.52 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1cww h LEU 56 CO 0.02 -0.18 -0.15 0.40 -0.34 0.00 0.00 178.44 178.20 1cww h ILE 57 N -0.26 0.50 -0.07 4.05 1.08 -0.77 -2.47 117.51 119.57 1cww h ILE 57 Ca -0.00 -0.73 -0.21 0.00 -0.39 0.00 0.00 64.86 63.53 1cww h ILE 57 Cb 0.24 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1cww h ILE 57 CO -0.01 0.14 -0.83 0.50 -0.69 0.00 0.00 178.15 177.26 1cww h LYS 58 N 0.00 0.53 0.10 2.37 3.64 0.22 -2.49 116.57 120.94 1cww h LYS 58 Ca -0.00 -0.48 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1cww h LYS 58 Cb 0.48 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1cww h LYS 58 CO 0.02 1.11 -0.05 0.52 -2.27 0.00 0.00 179.45 178.78 1cww h MET 59 N 0.34 -0.13 -0.71 1.90 0.00 -0.66 -2.51 114.93 113.16 1cww h MET 59 Ca -0.06 0.01 0.11 0.00 0.00 0.00 0.00 59.70 59.76 1cww h MET 59 Cb 1.45 0.03 -0.05 0.00 0.00 0.00 0.00 31.60 33.03 1cww h MET 59 CO 0.15 -0.00 0.47 0.82 0.00 0.00 0.00 176.91 178.35 1cww h ILE 60 N -0.23 0.88 -0.69 -1.22 2.04 -1.54 -1.11 117.51 115.64 1cww h ILE 60 Ca -0.01 -0.18 0.20 0.00 1.00 0.00 0.00 64.86 65.87 1cww h ILE 60 Cb 0.19 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1cww h ILE 60 CO 0.02 0.09 0.59 0.25 0.00 0.00 0.00 178.15 179.11 1cww h LEU 61 N 0.52 0.00 -4.09 1.44 6.46 -0.97 -1.53 115.31 117.13 1cww h LEU 61 Ca 0.34 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.75 1cww h LEU 61 Cb 0.60 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 40.17 1cww h LEU 61 CO -0.11 0.00 -0.89 1.17 -0.62 0.00 0.00 178.44 177.99 1cww n LYS 62 N -3.95 2.45 0.00 1.25 4.81 -0.43 -5.03 118.16 117.26 1cww n LYS 62 Ca 0.14 -3.66 0.00 0.00 -0.87 0.00 0.00 58.31 53.92 1cww n LYS 62 Cb 0.85 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 34.11 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 -0.63 1.77 -4.13 1.64 5.02 -0.58 -4.73 118.16 116.52 1cww n LYS 63 Ca 0.26 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.44 1cww n LYS 63 Cb 0.90 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.82 1cww n LYS 63 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1cww s ASP 64 N -0.28 0.16 0.62 4.39 1.47 -1.26 -3.18 116.67 118.58 1cww s ASP 64 Ca 0.00 -1.21 0.39 0.00 1.18 0.00 0.00 52.55 52.92 1cww s ASP 64 Cb 0.00 0.38 2.02 0.00 -0.34 0.00 0.00 42.92 44.99 1cww s ASP 64 CO 0.00 -0.84 2.24 -0.55 0.68 0.00 0.00 175.17 176.69 1cww h ASN 65 N 2.65 0.00 -0.08 2.11 7.08 -1.33 0.51 115.58 126.51 1cww h ASN 65 Ca -0.34 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.87 1cww h ASN 65 Cb 1.23 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.47 1cww h ASN 65 CO 0.52 0.01 0.02 -0.78 -2.08 0.00 0.00 177.43 175.13 1cww h ASP 66 N 0.00 0.13 0.97 6.14 1.82 -1.96 0.34 116.42 123.85 1cww h ASP 66 Ca -0.00 -0.22 -0.08 0.00 -0.39 0.00 0.00 57.03 56.34 1cww h ASP 66 Cb 0.17 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 1cww h ASP 66 CO 0.00 0.32 -0.36 0.28 -1.61 0.00 0.00 179.24 177.86 1cww h SER 67 N -0.07 0.00 -0.40 2.28 0.02 -1.78 -2.42 113.55 111.17 1cww h SER 67 Ca 0.03 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1cww h SER 67 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1cww h SER 67 CO 0.00 0.36 -0.28 0.22 -1.14 0.00 0.00 176.83 175.99 1cww h TYR 68 N 0.00 1.09 0.00 3.45 3.20 -0.38 0.45 116.97 124.78 1cww h TYR 68 Ca -0.00 -0.29 -0.10 0.00 3.14 0.00 0.00 58.73 61.48 1cww h TYR 68 Cb 0.95 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 1cww h TYR 68 CO 0.00 1.10 -0.48 0.28 -1.64 0.00 0.00 178.16 177.42 1cww h VAL 69 N 0.79 1.24 0.14 1.81 2.07 -0.16 0.42 116.25 122.57 1cww h VAL 69 Ca 0.09 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1cww h VAL 69 Cb 0.86 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1cww h VAL 69 CO 0.08 0.47 -0.07 -1.28 0.02 0.00 0.00 177.57 176.79 1cww h SER 70 N 0.00 -0.16 -0.96 0.57 0.87 -0.91 0.34 113.55 113.30 1cww h SER 70 Ca -0.00 -0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1cww h SER 70 Cb 0.91 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 1cww h SER 70 CO 0.06 0.19 0.63 0.15 -0.53 0.00 0.00 176.83 177.33 1cww h PHE 71 N -0.53 1.17 -0.01 2.24 3.57 0.15 0.82 116.94 124.35 1cww h PHE 71 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1cww h PHE 71 Cb 0.41 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1cww h PHE 71 CO 0.03 0.69 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.83 1cww h TYR 72 N 1.23 -0.15 -0.02 0.41 3.20 0.09 -1.20 116.97 120.53 1cww h TYR 72 Ca 0.37 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.22 1cww h TYR 72 Cb -0.03 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1cww h TYR 72 CO -0.00 -0.10 -0.12 -0.97 -1.64 0.00 0.00 178.16 175.33 1cww h ASN 73 N -0.10 0.03 0.37 -2.11 -1.24 0.35 -1.45 115.58 111.44 1cww h ASN 73 Ca 0.03 -0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.90 1cww h ASN 73 Cb 0.14 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1cww h ASN 73 CO -0.07 0.16 -0.58 0.00 -1.29 0.00 0.00 177.43 175.65 1cww h ALA 74 N 1.84 0.91 -0.63 1.57 0.00 -0.10 -1.93 119.26 120.91 1cww h ALA 74 Ca 0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1cww h ALA 74 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1cww h ALA 74 CO 0.02 0.71 0.08 -0.07 0.00 0.00 0.00 179.25 179.99 1cww h LEU 75 N 0.16 1.03 -1.60 0.00 3.38 -0.16 -1.69 115.31 116.43 1cww h LEU 75 Ca -0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1cww h LEU 75 Cb 1.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1cww h LEU 75 CO 0.09 1.04 -0.22 -0.07 0.09 0.00 0.00 178.44 179.37 1cww h LEU 76 N 0.98 0.00 -0.76 1.67 4.07 -1.22 0.36 115.31 120.42 1cww h LEU 76 Ca 0.19 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.03 1cww h LEU 76 Cb 0.46 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1cww h LEU 76 CO 0.02 0.22 -0.37 0.45 -1.08 0.00 0.00 178.44 177.67 1cww h HIS 77 N 0.00 0.59 -0.84 1.13 3.86 -0.51 -3.21 115.15 116.17 1cww h HIS 77 Ca -0.00 -0.16 -0.58 0.00 -1.16 0.00 0.00 60.37 58.47 1cww h HIS 77 Cb 0.44 -0.13 -0.34 0.00 1.06 0.00 0.00 27.41 28.44 1cww h HIS 77 CO 0.00 0.81 0.05 0.39 0.86 0.00 0.00 177.93 180.04 1cww n GLU 78 N -4.05 3.03 -1.36 2.45 -0.58 -0.99 -4.93 120.64 114.21 1cww n GLU 78 Ca -0.01 -3.67 -0.12 0.00 -0.42 0.00 0.00 57.16 52.94 1cww n GLU 78 Cb 0.49 -2.25 -0.05 0.00 -0.57 0.00 0.00 31.44 29.06 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 -0.85 1.20 2.76 0.62 0.00 -1.17 -4.88 105.19 102.87 1cww n GLY 79 Ca 0.52 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.28 2.94 0.64 1.61 4.01 0.12 -4.64 117.16 119.56 1cww n TYR 80 Ca -0.12 -2.56 0.13 0.00 -0.16 0.00 0.00 57.90 55.19 1cww n TYR 80 Cb 0.59 -1.12 0.45 0.00 -0.31 0.00 0.00 39.34 38.95 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 0.19 -0.01 -0.72 5.02 -1.25 -2.66 118.16 118.47 1cww n LYS 81 Ca 0.49 0.22 -0.17 0.00 -2.02 0.00 0.00 58.31 56.83 1cww n LYS 81 Cb 0.27 -1.75 -0.13 0.00 -0.02 0.00 0.00 35.03 33.39 1cww n LYS 81 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1cww h ASP 82 N 0.00 0.27 -0.40 4.39 5.19 -1.93 -0.12 116.42 123.82 1cww h ASP 82 Ca 0.00 -0.94 -0.02 0.00 -0.62 0.00 0.00 57.03 55.45 1cww h ASP 82 Cb 0.60 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 1cww h ASP 82 CO 0.00 1.18 0.17 0.25 -3.12 0.00 0.00 179.24 177.72 1cww h LEU 83 N -0.60 0.54 -1.58 1.55 7.12 -1.95 -1.66 115.31 118.73 1cww h LEU 83 Ca -0.07 -0.15 -0.03 0.00 0.13 0.00 0.00 57.88 57.76 1cww h LEU 83 Cb 1.30 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 1cww h LEU 83 CO 0.08 0.55 -0.04 0.00 -0.13 0.00 0.00 178.44 178.90 1cww h ALA 84 N 1.02 1.66 -0.34 1.25 0.00 -1.59 -1.35 119.26 119.92 1cww h ALA 84 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1cww h ALA 84 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1cww h ALA 84 CO -0.01 0.25 -0.12 0.00 0.00 0.00 0.00 179.25 179.37 1cww h ALA 85 N 1.75 1.16 -0.30 0.00 0.00 -0.13 0.26 119.26 122.00 1cww h ALA 85 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1cww h ALA 85 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1cww h ALA 85 CO 0.01 0.53 0.11 -0.07 0.00 0.00 0.00 179.25 179.84 1cww h LEU 86 N 0.54 0.37 0.00 0.00 3.38 -0.43 -1.66 115.31 117.51 1cww h LEU 86 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1cww h LEU 86 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cww h LEU 86 CO 0.03 0.35 -0.63 -0.07 0.09 0.00 0.00 178.44 178.21 1cww h LEU 87 N 0.42 0.00 -2.53 1.67 3.38 -0.87 -3.33 115.31 114.06 1cww h LEU 87 Ca 0.10 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1cww h LEU 87 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1cww h LEU 87 CO -0.01 0.04 0.15 -0.74 0.09 0.00 0.00 178.44 177.97 1cww h HIS 88 N 0.00 0.00 0.00 1.13 2.76 0.46 0.27 115.15 119.77 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 0.88 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.84 1cww h HIS 88 CO 0.00 0.00 -0.03 0.22 -1.30 0.00 0.00 177.93 176.82 1cww h ASP 89 N 0.00 0.00 0.00 3.26 3.58 -1.67 -3.08 116.42 118.51 1cww h ASP 89 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1cww h ASP 89 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1cww h ASP 89 CO -0.00 0.03 -0.37 0.61 -2.88 0.00 0.00 179.24 176.63 1cww n GLY 90 N -0.10 0.48 3.66 -0.78 0.00 0.84 -4.83 105.19 104.46 1cww n GLY 90 Ca 0.00 -0.11 -0.43 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 -1.54 3.97 -2.00 -0.61 -1.09 -0.52 -4.54 121.20 114.87 1cww s ILE 91 Ca 0.01 1.20 0.06 0.00 -2.23 0.00 0.00 60.65 59.69 1cww s ILE 91 Cb 0.03 -3.77 0.17 0.00 -1.58 0.00 0.00 42.46 37.31 1cww s ILE 91 CO 0.16 -0.09 0.79 -2.65 -1.23 0.00 0.00 174.94 171.92 1cww n PRO 92 N 6.60 0.23 -4.01 2.79 -0.02 -1.26 -4.49 135.00 134.85 1cww n PRO 92 Ca 0.15 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.30 1cww n PRO 92 Cb 0.44 -1.42 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 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 -2.00 2.47 -0.46 -1.45 -7.23 -1.26 -5.00 120.40 105.48 1cww s VAL 93 Ca 0.09 -1.62 0.05 0.00 -1.81 0.00 0.00 61.98 58.70 1cww s VAL 93 Cb 0.04 -2.48 0.18 0.00 0.56 0.00 0.00 36.38 34.68 1cww s VAL 93 CO 0.07 -0.11 0.53 0.54 -0.31 0.00 0.00 175.10 175.82 1cww s VAL 94 N 1.14 -0.39 0.00 1.32 0.11 -1.26 -5.05 120.40 116.26 1cww s VAL 94 Ca -0.06 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.36 1cww s VAL 94 Cb -0.20 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1cww s VAL 94 CO -0.04 -0.56 0.00 -1.20 -3.33 0.00 0.00 175.10 169.97 1cww n SER 95 N 3.08 0.00 -0.00 3.54 7.64 -1.26 -4.93 113.62 121.69 1cww n SER 95 Ca 0.22 0.12 -0.00 0.00 1.01 0.00 0.00 58.87 60.22 1cww n SER 95 Cb 0.52 -0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1cww n SER 95 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1cww n SER 96 N -1.15 2.63 0.00 6.43 7.64 -1.26 -5.34 113.62 122.57 1cww n SER 96 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cww n SER 96 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1cww n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83