#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww n PRO -4 N 0.00 1.35 -4.33 1.61 -0.04 -1.26 -4.86 135.00 127.47 1cww n PRO -4 Ca 0.00 -0.58 -0.32 0.00 -0.04 0.00 0.00 63.50 62.55 1cww n PRO -4 Cb 0.00 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.88 1cww n PRO -4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1cww s LEU -3 N -2.05 3.39 0.00 1.53 2.96 -1.26 -5.00 118.68 118.25 1cww s LEU -3 Ca 0.40 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1cww s LEU -3 Cb 0.21 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.95 1cww s LEU -3 CO 0.36 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 176.28 1cww n GLY -2 N 1.40 0.00 0.00 7.98 0.00 -1.26 -5.14 105.19 108.16 1cww n GLY -2 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.47 4.08 -3.78 1.61 3.41 -1.26 -4.94 113.62 110.26 1cww n SER -1 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1cww n SER -1 Cb 0.27 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.45 1cww n SER -1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cww s MET 1 N 4.75 -0.69 0.09 4.33 0.23 -1.26 -4.12 119.30 122.63 1cww s MET 1 Ca 0.00 -0.34 -0.30 0.00 -1.03 0.00 0.00 55.69 54.01 1cww s MET 1 Cb 0.00 -1.68 -0.06 0.00 -1.53 0.00 0.00 34.83 31.56 1cww s MET 1 CO 0.00 -3.31 1.12 0.34 -2.03 0.00 0.00 175.02 171.14 1cww s ASP 2 N -4.44 7.20 0.14 -1.18 2.15 -1.26 -4.83 116.67 114.45 1cww s ASP 2 Ca 0.74 1.97 -0.15 0.00 0.43 0.00 0.00 52.55 55.54 1cww s ASP 2 Cb -0.05 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.00 1cww s ASP 2 CO 0.55 -0.35 1.72 0.00 -0.17 0.00 0.00 175.17 176.92 1cww h ALA 3 N 6.26 0.57 -0.21 3.66 0.00 -1.97 0.53 119.26 128.11 1cww h ALA 3 Ca -0.42 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1cww h ALA 3 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1cww h ALA 3 CO 0.77 0.14 0.14 -0.22 0.00 0.00 0.00 179.25 180.08 1cww h LYS 4 N 0.57 0.10 0.03 0.00 1.63 -1.97 0.84 116.57 117.76 1cww h LYS 4 Ca 0.15 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1cww h LYS 4 Cb 0.13 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1cww h LYS 4 CO -0.02 0.06 -0.01 0.00 -3.45 0.00 0.00 179.45 176.03 1cww h ALA 5 N 1.89 -0.03 -0.16 5.00 0.00 -1.66 -2.84 119.26 121.46 1cww h ALA 5 Ca 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1cww h ALA 5 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cww h ALA 5 CO -0.01 -0.04 0.11 -0.09 0.00 0.00 0.00 179.25 179.22 1cww h ARG 6 N -1.00 0.09 -0.02 0.00 2.43 0.36 -2.24 114.38 114.00 1cww h ARG 6 Ca -0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1cww h ARG 6 Cb 0.30 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1cww h ARG 6 CO 0.01 0.06 -0.10 -0.91 -1.51 0.00 0.00 179.97 177.51 1cww h ASN 7 N 0.09 0.13 -0.16 -3.80 4.21 0.58 -1.26 115.58 115.37 1cww h ASN 7 Ca 0.07 -0.66 0.05 0.00 1.21 0.00 0.00 56.30 56.96 1cww h ASN 7 Cb 0.16 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 1cww h ASN 7 CO -0.01 0.77 0.28 0.00 -1.29 0.00 0.00 177.43 177.18 1cww h LEU 9 N 0.00 -0.17 0.00 0.00 5.85 -1.19 -3.33 115.31 116.47 1cww h LEU 9 Ca 0.07 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 1cww h LEU 9 Cb 0.64 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 1cww h LEU 9 CO -0.00 0.27 -0.93 -0.07 -0.34 0.00 0.00 178.44 177.37 1cww h LEU 10 N -0.99 0.00 -1.06 2.25 4.07 -0.42 -3.33 115.31 115.84 1cww h LEU 10 Ca -0.02 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 1cww h LEU 10 Cb 0.16 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1cww h LEU 10 CO 0.03 0.47 0.01 -0.61 -1.08 0.00 0.00 178.44 177.26 1cww h GLN 11 N 0.00 0.68 -1.74 1.13 4.15 0.20 -2.10 115.11 117.43 1cww h GLN 11 Ca -0.07 -0.16 -0.26 0.00 0.77 0.00 0.00 58.65 58.93 1cww h GLN 11 Cb 1.42 -0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.92 1cww h GLN 11 CO 0.05 0.69 0.25 0.72 -1.93 0.00 0.00 178.83 178.60 1cww n HIS 12 N -4.24 1.05 -0.34 3.99 8.25 -1.25 -4.54 115.22 118.13 1cww n HIS 12 Ca 0.02 -1.69 0.28 0.00 -0.26 0.00 0.00 57.72 56.07 1cww n HIS 12 Cb 0.27 -0.95 0.59 0.00 1.12 0.00 0.00 29.99 31.02 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 1.68 0.24 -0.69 -0.41 1.12 -1.58 0.68 114.38 115.42 1cww h ARG 13 Ca 0.22 -0.01 0.19 0.00 -1.11 0.00 0.00 59.98 59.27 1cww h ARG 13 Cb 0.96 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.83 1cww h ARG 13 CO 0.55 0.16 0.49 1.49 -3.11 0.00 0.00 179.97 179.55 1cww h GLU 14 N 0.25 0.08 0.00 0.20 4.81 -1.88 -1.59 114.58 116.45 1cww h GLU 14 Ca 0.62 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.66 1cww h GLU 14 Cb 1.86 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.19 1cww h GLU 14 CO -0.24 0.05 -1.81 0.00 -0.73 0.00 0.00 179.01 176.28 1cww n ALA 15 N -2.64 1.84 -1.00 2.92 0.00 0.18 -4.49 120.51 117.32 1cww n ALA 15 Ca 0.14 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1cww n ALA 15 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.37 0.00 0.00 0.00 7.94 0.18 -0.07 117.00 122.68 1cww n LEU 16 Ca -0.17 0.24 0.02 0.00 -1.11 0.00 0.00 56.01 54.99 1cww n LEU 16 Cb 0.81 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.85 1cww n LEU 16 CO 0.27 0.00 0.54 1.21 -1.11 0.00 0.00 177.39 178.30 1cww n GLU 17 N -0.39 0.02 0.03 1.96 2.13 -1.15 0.49 120.64 123.72 1cww n GLU 17 Ca 0.00 0.38 -0.22 0.00 0.66 0.00 0.00 57.16 57.98 1cww n GLU 17 Cb 0.00 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.07 1cww n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1cww h LYS 18 N 0.00 0.28 0.00 5.31 3.11 -1.67 -3.41 116.57 120.20 1cww h LYS 18 Ca 0.00 -0.49 -0.33 0.00 -2.81 0.00 0.00 60.65 57.03 1cww h LYS 18 Cb 0.06 0.18 -0.06 0.00 -1.00 0.00 0.00 32.23 31.41 1cww h LYS 18 CO 0.00 1.23 -2.23 -3.47 -2.81 0.00 0.00 179.45 172.17 1cww n ASP 19 N -3.83 0.79 -4.78 4.20 2.03 0.90 -4.98 116.55 110.89 1cww n ASP 19 Ca -0.25 -0.01 -0.41 0.00 0.52 0.00 0.00 54.79 54.64 1cww n ASP 19 Cb 0.95 0.79 -0.00 0.00 -0.72 0.00 0.00 41.12 42.14 1cww n ASP 19 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1cww s ILE 20 N -2.43 2.14 0.36 5.18 2.07 0.18 -5.02 121.20 123.68 1cww s ILE 20 Ca -0.11 0.14 0.06 0.00 -1.41 0.00 0.00 60.65 59.33 1cww s ILE 20 Cb 0.06 -3.09 -0.03 0.00 0.13 0.00 0.00 42.46 39.53 1cww s ILE 20 CO 0.71 0.03 0.22 -0.75 -1.91 0.00 0.00 174.94 173.24 1cww s LYS 21 N -2.06 1.83 0.00 3.50 2.20 -1.26 -4.83 119.74 119.12 1cww s LYS 21 Ca 0.52 -2.09 0.00 0.00 -0.36 0.00 0.00 55.97 54.04 1cww s LYS 21 Cb -0.46 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.84 1cww s LYS 21 CO 0.62 -0.59 0.00 -2.37 -0.36 0.00 0.00 175.35 172.64 1cww n THR 22 N -0.74 0.00 0.00 3.43 5.66 -1.26 -4.76 114.28 116.60 1cww n THR 22 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1cww n THR 22 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 1cww n THR 22 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cww n SER 23 N 0.00 0.00 0.20 1.09 3.41 -1.26 0.41 113.62 117.47 1cww n SER 23 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1cww n SER 23 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1cww n SER 23 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1cww h TYR 24 N 0.00 -0.49 -0.91 7.33 -1.99 -1.99 -0.03 116.97 118.89 1cww h TYR 24 Ca 0.00 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.79 1cww h TYR 24 Cb 0.00 0.16 -0.07 0.00 2.00 0.00 0.00 36.73 38.83 1cww h TYR 24 CO 0.00 -0.17 0.57 0.82 -0.00 0.00 0.00 178.16 179.38 1cww h ILE 25 N -0.80 1.04 0.00 -2.88 2.04 -0.90 0.05 117.51 116.05 1cww h ILE 25 Ca -0.05 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 1cww h ILE 25 Cb 0.53 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1cww h ILE 25 CO 0.09 0.19 -0.24 -0.03 0.00 0.00 0.00 178.15 178.15 1cww h MET 26 N 1.03 0.00 -0.28 2.37 4.05 -0.02 -2.45 114.93 119.63 1cww h MET 26 Ca 0.40 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.66 1cww h MET 26 Cb 0.20 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1cww h MET 26 CO -0.18 0.24 -0.44 0.22 0.23 0.00 0.00 176.91 176.98 1cww h ASP 27 N 0.00 0.87 0.11 1.39 3.58 0.10 -1.32 116.42 121.15 1cww h ASP 27 Ca -0.00 -0.52 -0.09 0.00 0.42 0.00 0.00 57.03 56.84 1cww h ASP 27 Cb 0.71 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1cww h ASP 27 CO 0.03 1.22 -0.29 0.45 -2.88 0.00 0.00 179.24 177.77 1cww h HIS 28 N 0.55 0.32 -0.06 0.28 3.86 -1.29 -1.07 115.15 117.74 1cww h HIS 28 Ca 0.02 -0.07 -0.22 0.00 -1.16 0.00 0.00 60.37 58.95 1cww h HIS 28 Cb 1.04 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 29.44 1cww h HIS 28 CO 0.08 0.56 -0.86 0.52 0.86 0.00 0.00 177.93 179.08 1cww h MET 29 N 0.26 0.55 0.05 2.45 2.86 -1.23 -1.45 114.93 118.41 1cww h MET 29 Ca 0.04 -0.51 -0.25 0.00 -2.06 0.00 0.00 59.70 56.91 1cww h MET 29 Cb 0.65 0.13 0.02 0.00 0.06 0.00 0.00 31.60 32.46 1cww h MET 29 CO 0.05 1.14 -1.01 0.82 1.06 0.00 0.00 176.91 178.97 1cww h ILE 30 N 0.34 1.32 0.00 -1.22 2.04 -1.14 -2.22 117.51 116.63 1cww h ILE 30 Ca -0.07 -2.30 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 1cww h ILE 30 Cb 1.48 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 40.13 1cww h ILE 30 CO 0.16 0.70 -0.18 0.28 0.00 0.00 0.00 178.15 179.11 1cww h SER 31 N 0.21 0.00 0.97 1.72 0.02 -1.27 0.10 113.55 115.31 1cww h SER 31 Ca -0.14 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 1cww h SER 31 Cb 1.69 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1cww h SER 31 CO 0.20 0.18 -0.32 -0.78 -1.14 0.00 0.00 176.83 174.96 1cww h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -1.15 -3.47 116.42 118.45 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 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1cww h ASP 32 CO 0.02 0.32 0.00 0.61 -2.88 0.00 0.00 179.24 177.31 1cww n GLY 33 N 0.33 0.58 0.15 -0.78 0.00 0.36 -4.94 105.19 100.88 1cww n GLY 33 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.95 -3.62 1.61 -1.00 -1.62 -3.41 116.94 109.85 1cww h PHE 34 Ca 0.00 -0.69 -0.63 0.00 2.81 0.00 0.00 57.97 59.46 1cww h PHE 34 Cb 0.00 -0.04 -0.14 0.00 3.61 0.00 0.00 35.95 39.38 1cww h PHE 34 CO 0.00 1.54 -0.07 -0.51 -1.61 0.00 0.00 178.31 177.66 1cww s LEU 35 N -7.57 4.18 0.00 1.54 1.43 -0.92 -5.00 118.68 112.34 1cww s LEU 35 Ca -0.09 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1cww s LEU 35 Cb 0.04 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.71 1cww s LEU 35 CO 0.94 -0.36 0.20 0.35 0.23 0.00 0.00 176.35 177.72 1cww n THR 36 N 5.28 0.00 0.28 5.49 -2.24 -1.26 -4.32 114.28 117.50 1cww n THR 36 Ca -0.05 -0.27 0.15 0.00 -2.27 0.00 0.00 64.05 61.61 1cww n THR 36 Cb 0.49 -1.45 0.80 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.61 0.38 -0.08 2.28 2.04 -1.98 0.11 117.51 119.65 1cww h ILE 37 Ca -0.07 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1cww h ILE 37 Cb 0.23 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1cww h ILE 37 CO 0.06 0.08 -0.10 -1.28 0.00 0.00 0.00 178.15 176.91 1cww h SER 38 N 0.00 0.23 -0.51 1.72 0.87 -1.99 0.17 113.55 114.05 1cww h SER 38 Ca -0.00 -0.51 -0.06 0.00 -1.23 0.00 0.00 61.79 59.99 1cww h SER 38 Cb 0.31 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1cww h SER 38 CO 0.01 0.70 0.08 -0.33 -0.53 0.00 0.00 176.83 176.76 1cww h GLU 39 N -0.23 0.84 0.14 2.24 3.07 -1.72 -2.40 114.58 116.51 1cww h GLU 39 Ca 0.01 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1cww h GLU 39 Cb 0.64 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1cww h GLU 39 CO 0.02 0.83 -0.09 1.49 -1.40 0.00 0.00 179.01 179.86 1cww h GLU 40 N 0.72 -0.22 -0.45 2.33 4.81 -0.77 -2.47 114.58 118.52 1cww h GLU 40 Ca 0.15 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1cww h GLU 40 Cb 0.40 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 1cww h GLU 40 CO 0.01 -0.15 0.06 1.49 -0.73 0.00 0.00 179.01 179.69 1cww h GLU 41 N -0.23 0.18 0.98 1.92 4.81 -0.54 0.21 114.58 121.90 1cww h GLU 41 Ca -0.01 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1cww h GLU 41 Cb 0.20 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1cww h GLU 41 CO 0.01 0.12 -0.49 0.87 -0.73 0.00 0.00 179.01 178.78 1cww h LYS 42 N 0.18 -1.29 -0.66 1.92 1.57 -1.29 0.53 116.57 117.53 1cww h LYS 42 Ca 0.22 0.09 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 1cww h LYS 42 Cb 0.30 0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1cww h LYS 42 CO -0.32 -0.86 0.44 0.28 -0.57 0.00 0.00 179.45 178.42 1cww h VAL 43 N -1.34 1.03 0.00 0.50 2.07 -1.36 -1.90 116.25 115.25 1cww h VAL 43 Ca -0.13 -0.24 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 1cww h VAL 43 Cb 1.03 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1cww h VAL 43 CO 0.21 0.13 -0.82 -0.09 0.02 0.00 0.00 177.57 177.01 1cww h ARG 44 N 0.70 0.00 -0.19 1.57 1.12 -0.81 -3.27 114.38 113.50 1cww h ARG 44 Ca 0.28 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 59.05 1cww h ARG 44 Cb 0.22 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1cww h ARG 44 CO -0.09 0.82 -0.33 -0.97 -3.11 0.00 0.00 179.97 176.29 1cww h ASN 45 N 0.00 0.41 -3.89 -3.80 -1.24 0.87 -3.44 115.58 104.49 1cww h ASN 45 Ca -0.01 -0.15 -0.56 0.00 0.71 0.00 0.00 56.30 56.29 1cww h ASN 45 Cb 1.63 -0.11 0.15 0.00 0.73 0.00 0.00 38.32 40.72 1cww h ASN 45 CO 0.11 0.72 0.48 -0.62 -1.29 0.00 0.00 177.43 176.82 1cww n GLU 46 N -4.08 1.44 0.00 6.67 -0.58 -1.02 -4.98 120.64 118.10 1cww n GLU 46 Ca -0.01 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1cww n GLU 46 Cb 0.45 -2.46 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 1cww n GLU 46 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1cww n PRO 47 N -1.07 0.00 -3.69 3.49 -0.02 -1.26 -4.73 135.00 127.72 1cww n PRO 47 Ca 0.12 0.39 -0.20 0.00 -2.02 0.00 0.00 63.50 61.79 1cww n PRO 47 Cb 0.45 -1.37 -0.04 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.66 0.00 -0.09 3.45 -2.24 -1.26 -4.93 114.28 107.56 1cww n THR 48 Ca 0.00 -1.55 0.26 0.00 -2.27 0.00 0.00 64.05 60.49 1cww n THR 48 Cb 0.00 0.36 0.67 0.00 -2.10 0.00 0.00 70.33 69.26 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 4.15 -1.94 0.36 115.11 116.90 1cww h GLN 49 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1cww h GLN 49 Cb 0.82 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1cww h GLN 49 CO 0.43 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 178.27 1cww n GLN 50 N -3.70 0.00 0.08 1.69 7.27 -1.26 0.47 117.38 121.93 1cww n GLN 50 Ca 0.16 0.55 0.12 0.00 0.07 0.00 0.00 57.00 57.91 1cww n GLN 50 Cb 1.00 -1.19 0.29 0.00 2.41 0.00 0.00 30.24 32.75 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 -1.58 0.27 0.11 3.69 6.02 -0.99 -2.67 117.38 122.23 1cww n GLN 51 Ca 0.00 0.14 -0.09 0.00 -0.01 0.00 0.00 57.00 57.04 1cww n GLN 51 Cb 0.00 -1.73 -0.06 0.00 1.02 0.00 0.00 30.24 29.47 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 0.00 -0.33 -0.51 -1.09 2.43 -0.07 0.17 114.38 114.98 1cww h ARG 52 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1cww h ARG 52 Cb 0.73 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1cww h ARG 52 CO 0.00 -0.03 -0.13 0.00 -1.51 0.00 0.00 179.97 178.31 1cww h ALA 53 N -0.68 0.70 -0.25 2.80 0.00 -0.12 -1.96 119.26 119.76 1cww h ALA 53 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1cww h ALA 53 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1cww h ALA 53 CO 0.06 0.63 0.09 0.00 0.00 0.00 0.00 179.25 180.02 1cww h ALA 54 N 0.90 1.70 -0.26 0.00 0.00 -1.54 -0.64 119.26 119.41 1cww h ALA 54 Ca 0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1cww h ALA 54 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1cww h ALA 54 CO 0.05 0.24 -0.38 1.98 0.00 0.00 0.00 179.25 181.15 1cww h MET 55 N 0.35 0.60 0.19 0.00 -1.53 -0.41 0.41 114.93 114.53 1cww h MET 55 Ca 0.09 -0.29 -0.01 0.00 -3.44 0.00 0.00 59.70 56.04 1cww h MET 55 Cb 0.09 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.14 1cww h MET 55 CO -0.01 0.88 -0.09 1.25 0.14 0.00 0.00 176.91 179.08 1cww h LEU 56 N 0.50 -0.21 -1.51 3.39 5.85 -0.45 0.13 115.31 123.00 1cww h LEU 56 Ca 0.05 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1cww h LEU 56 Cb 0.88 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1cww h LEU 56 CO 0.08 -0.02 0.21 0.40 -0.34 0.00 0.00 178.44 178.76 1cww h ILE 57 N -0.40 1.13 -0.44 4.05 2.04 -1.06 -2.02 117.51 120.80 1cww h ILE 57 Ca -0.03 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 1cww h ILE 57 Cb 0.31 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1cww h ILE 57 CO 0.04 0.14 -0.10 0.50 0.00 0.00 0.00 178.15 178.73 1cww h LYS 58 N 0.54 0.78 -0.41 2.37 3.64 0.41 -1.87 116.57 122.03 1cww h LYS 58 Ca 0.14 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1cww h LYS 58 Cb 0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1cww h LYS 58 CO -0.02 0.85 0.20 0.52 -2.27 0.00 0.00 179.45 178.73 1cww h MET 59 N 0.71 0.58 0.00 1.90 0.00 -0.01 -1.83 114.93 116.28 1cww h MET 59 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 59.70 59.72 1cww h MET 59 Cb 0.58 -0.11 -0.00 0.00 0.00 0.00 0.00 31.60 32.07 1cww h MET 59 CO 0.04 0.50 -0.10 0.82 0.00 0.00 0.00 176.91 178.17 1cww h ILE 60 N 0.52 0.54 -0.03 -1.22 2.04 -1.29 -1.80 117.51 116.26 1cww h ILE 60 Ca 0.14 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1cww h ILE 60 Cb 0.10 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1cww h ILE 60 CO -0.02 0.10 0.04 -0.07 0.00 0.00 0.00 178.15 178.19 1cww h LEU 61 N 0.00 0.00 -5.18 1.44 3.38 -0.48 -3.16 115.31 111.31 1cww h LEU 61 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1cww h LEU 61 Cb 0.29 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.65 1cww h LEU 61 CO 0.01 0.00 -1.08 2.29 0.09 0.00 0.00 178.44 179.75 1cww n LYS 62 N -3.90 1.56 0.00 1.13 2.85 -0.72 -4.99 118.16 114.08 1cww n LYS 62 Ca -0.02 -3.29 0.00 0.00 -1.05 0.00 0.00 58.31 53.95 1cww n LYS 62 Cb 0.12 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 1cww n LYS 62 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1cww n LYS 63 N -0.53 0.00 -3.82 -1.58 3.00 -0.92 -5.01 118.16 109.30 1cww n LYS 63 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.30 1cww n LYS 63 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.84 1cww n LYS 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1cww s ASP 64 N -1.00 -0.28 0.19 3.14 1.01 -1.26 -4.16 116.67 114.31 1cww s ASP 64 Ca 0.00 -0.56 -0.12 0.00 0.71 0.00 0.00 52.55 52.59 1cww s ASP 64 Cb 0.00 0.71 0.18 0.00 1.01 0.00 0.00 42.92 44.81 1cww s ASP 64 CO 0.00 -1.30 1.79 -1.13 0.21 0.00 0.00 175.17 174.74 1cww h ASN 65 N 2.00 0.40 -0.26 0.27 -0.73 -1.89 0.17 115.58 115.54 1cww h ASN 65 Ca -0.20 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.04 1cww h ASN 65 Cb 1.25 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.77 1cww h ASN 65 CO 0.24 0.27 0.05 -0.78 -0.37 0.00 0.00 177.43 176.85 1cww h ASP 66 N 0.54 0.02 0.49 1.15 3.58 -1.96 0.17 116.42 120.40 1cww h ASP 66 Ca 0.25 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.64 1cww h ASP 66 Cb 0.17 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1cww h ASP 66 CO -0.18 0.04 -0.50 0.28 -2.88 0.00 0.00 179.24 176.01 1cww h SER 67 N 0.16 0.01 -0.40 2.28 0.02 -1.86 -2.03 113.55 111.72 1cww h SER 67 Ca 0.12 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1cww h SER 67 Cb 0.12 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1cww h SER 67 CO -0.16 0.50 -0.13 0.22 -1.14 0.00 0.00 176.83 176.12 1cww h TYR 68 N 0.01 0.91 0.00 3.45 3.20 0.18 0.66 116.97 125.37 1cww h TYR 68 Ca -0.00 -0.21 -0.09 0.00 3.14 0.00 0.00 58.73 61.57 1cww h TYR 68 Cb 0.88 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1cww h TYR 68 CO 0.00 0.94 -0.43 0.28 -1.64 0.00 0.00 178.16 177.31 1cww h VAL 69 N 0.61 1.29 -0.05 1.81 2.07 -0.53 0.29 116.25 121.75 1cww h VAL 69 Ca 0.10 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1cww h VAL 69 Cb 0.67 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1cww h VAL 69 CO 0.05 0.42 -0.05 -1.28 0.02 0.00 0.00 177.57 176.73 1cww h SER 70 N 0.00 0.13 -0.95 0.57 0.87 -0.86 0.98 113.55 114.29 1cww h SER 70 Ca -0.00 -0.48 0.07 0.00 -1.23 0.00 0.00 61.79 60.15 1cww h SER 70 Cb 0.77 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1cww h SER 70 CO 0.06 0.58 0.62 0.15 -0.53 0.00 0.00 176.83 177.70 1cww h PHE 71 N -0.32 1.11 -0.27 2.24 3.57 0.71 0.82 116.94 124.81 1cww h PHE 71 Ca 0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1cww h PHE 71 Cb 0.54 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1cww h PHE 71 CO 0.09 0.57 0.10 -0.92 -2.23 0.00 0.00 178.31 175.92 1cww h TYR 72 N 1.08 0.19 -0.68 0.41 3.20 -0.15 -1.26 116.97 119.75 1cww h TYR 72 Ca 0.42 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.36 1cww h TYR 72 Cb 0.22 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1cww h TYR 72 CO -0.00 0.09 0.39 -0.97 -1.64 0.00 0.00 178.16 176.03 1cww h ASN 73 N 0.23 0.58 -0.23 -2.11 -0.73 0.80 -1.27 115.58 112.85 1cww h ASN 73 Ca 0.12 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.27 1cww h ASN 73 Cb 0.07 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 1cww h ASN 73 CO -0.11 0.38 0.03 0.00 -0.37 0.00 0.00 177.43 177.36 1cww h ALA 74 N 1.35 1.44 -0.57 1.57 0.00 -0.28 -1.62 119.26 121.16 1cww h ALA 74 Ca 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1cww h ALA 74 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1cww h ALA 74 CO -0.18 0.40 0.19 -0.07 0.00 0.00 0.00 179.25 179.59 1cww h LEU 75 N 0.48 0.77 -0.14 0.00 3.38 -0.08 0.09 115.31 119.81 1cww h LEU 75 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cww h LEU 75 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1cww h LEU 75 CO 0.00 0.72 0.00 0.18 0.09 0.00 0.00 178.44 179.43 1cww n LEU 76 N -4.31 0.29 0.02 1.67 4.32 -0.66 0.32 117.00 118.65 1cww n LEU 76 Ca 0.05 0.55 -0.10 0.00 -0.02 0.00 0.00 56.01 56.48 1cww n LEU 76 Cb 0.19 -0.48 -0.14 0.00 -1.62 0.00 0.00 43.42 41.38 1cww n LEU 76 CO 0.39 -0.22 -0.34 0.45 -1.22 0.00 0.00 177.39 176.46 1cww h HIS 77 N 0.00 0.10 -0.83 -1.77 3.86 -0.40 -3.36 115.15 112.75 1cww h HIS 77 Ca 0.00 -0.07 -0.56 0.00 -1.16 0.00 0.00 60.37 58.57 1cww h HIS 77 Cb 0.45 -0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.59 1cww h HIS 77 CO 0.00 1.11 0.14 0.39 0.86 0.00 0.00 177.93 180.43 1cww n GLU 78 N -3.22 2.89 -2.31 2.45 4.71 -0.81 -4.93 120.64 119.43 1cww n GLU 78 Ca -0.13 -3.58 -0.17 0.00 -0.01 0.00 0.00 57.16 53.27 1cww n GLU 78 Cb 1.02 -2.22 -0.02 0.00 -1.01 0.00 0.00 31.44 29.21 1cww n GLU 78 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cww n GLY 79 N -0.88 -0.25 2.76 0.62 0.00 -1.19 -4.90 105.19 101.34 1cww n GLY 79 Ca 0.52 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.55 3.29 0.11 1.61 4.01 0.15 -4.75 117.16 118.03 1cww n TYR 80 Ca -0.20 -3.12 -0.04 0.00 -0.16 0.00 0.00 57.90 54.39 1cww n TYR 80 Cb 0.64 -0.90 0.09 0.00 -0.31 0.00 0.00 39.34 38.86 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 3.66 0.07 0.07 -0.72 1.57 -1.91 -2.83 116.57 116.48 1cww h LYS 81 Ca 0.38 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1cww h LYS 81 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1cww h LYS 81 CO 1.04 0.75 -0.03 -0.44 -0.57 0.00 0.00 179.45 180.20 1cww h ASP 82 N 0.05 -0.08 -0.20 0.86 3.32 -1.95 0.31 116.42 118.73 1cww h ASP 82 Ca -0.01 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1cww h ASP 82 Cb 1.26 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1cww h ASP 82 CO 0.10 0.28 0.13 0.25 -1.72 0.00 0.00 179.24 178.28 1cww h LEU 83 N -0.44 0.24 -1.51 1.55 7.12 -1.96 -0.94 115.31 119.36 1cww h LEU 83 Ca -0.01 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1cww h LEU 83 Cb 0.39 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.44 1cww h LEU 83 CO 0.02 0.19 0.25 0.00 -0.13 0.00 0.00 178.44 178.76 1cww h ALA 84 N 1.06 1.63 -0.47 1.25 0.00 -1.48 -1.37 119.26 119.89 1cww h ALA 84 Ca 0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1cww h ALA 84 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1cww h ALA 84 CO -0.02 0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.50 1cww h ALA 85 N 1.69 1.04 0.00 0.00 0.00 0.50 0.18 119.26 122.66 1cww h ALA 85 Ca 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cww h ALA 85 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1cww h ALA 85 CO -0.03 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.71 1cww h LEU 86 N 0.74 0.00 0.00 0.00 3.38 -0.06 -1.93 115.31 117.44 1cww h LEU 86 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1cww h LEU 86 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1cww h LEU 86 CO 0.03 0.03 -1.48 0.18 0.09 0.00 0.00 178.44 177.29 1cww n LEU 87 N -3.55 0.47 0.01 1.67 4.32 -0.51 -4.43 117.00 114.97 1cww n LEU 87 Ca -0.02 -0.24 0.15 0.00 -0.02 0.00 0.00 56.01 55.87 1cww n LEU 87 Cb 0.14 0.00 0.61 0.00 -1.62 0.00 0.00 43.42 42.54 1cww n LEU 87 CO 0.26 0.12 1.17 -0.74 -1.22 0.00 0.00 177.39 176.98 1cww h HIS 88 N 0.00 0.18 0.00 -1.77 2.76 0.14 0.28 115.15 116.73 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 0.73 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 1cww h HIS 88 CO 0.00 0.08 -0.06 -0.44 -1.30 0.00 0.00 177.93 176.22 1cww h ASP 89 N 0.17 0.00 0.39 3.26 5.19 -1.78 -1.58 116.42 122.07 1cww h ASP 89 Ca 0.22 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1cww h ASP 89 Cb 0.66 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1cww h ASP 89 CO -0.03 0.06 -1.64 0.61 -3.12 0.00 0.00 179.24 175.11 1cww n GLY 90 N -1.01 -1.17 3.67 2.75 0.00 0.88 -4.89 105.19 105.41 1cww n GLY 90 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.35 4.18 -0.51 -0.61 -1.09 -0.59 -4.70 121.20 114.53 1cww s ILE 91 Ca -0.05 1.46 0.04 0.00 -2.23 0.00 0.00 60.65 59.86 1cww s ILE 91 Cb 0.11 -3.94 0.27 0.00 -1.58 0.00 0.00 42.46 37.33 1cww s ILE 91 CO 0.86 -0.09 1.09 -0.81 -1.23 0.00 0.00 174.94 174.76 1cww n PRO 92 N 6.20 2.04 -3.74 2.79 -0.04 -1.26 -4.67 135.00 136.31 1cww n PRO 92 Ca 0.13 -1.10 -0.30 0.00 -0.04 0.00 0.00 63.50 62.19 1cww n PRO 92 Cb 0.45 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 32.12 1cww n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cww s VAL 93 N -1.46 0.86 -1.39 0.52 1.01 -1.26 -5.03 120.40 113.65 1cww s VAL 93 Ca 0.20 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 1cww s VAL 93 Cb 0.16 -1.61 0.09 0.00 0.00 0.00 0.00 36.38 35.01 1cww s VAL 93 CO 0.05 -0.62 2.16 1.33 0.00 0.00 0.00 175.10 178.02 1cww n VAL 94 N 4.86 4.00 -2.02 2.92 0.24 -1.26 -4.95 118.33 122.12 1cww n VAL 94 Ca -0.03 -3.62 -0.43 0.00 -2.04 0.00 0.00 64.34 58.23 1cww n VAL 94 Cb 0.43 -2.47 -0.03 0.00 -1.47 0.00 0.00 33.84 30.29 1cww n VAL 94 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cww s SER 95 N 1.98 6.46 0.59 -1.34 0.15 -1.26 -4.99 113.70 115.28 1cww s SER 95 Ca 0.46 1.95 0.07 0.00 0.70 0.00 0.00 55.95 59.13 1cww s SER 95 Cb 0.13 -2.53 0.09 0.00 -1.71 0.00 0.00 66.02 61.99 1cww s SER 95 CO -0.05 -1.14 0.81 -0.44 1.20 0.00 0.00 173.24 173.62 1cww s SER 96 N 4.08 5.02 0.00 5.45 0.01 -1.26 -5.26 113.70 121.73 1cww s SER 96 Ca 0.75 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1cww s SER 96 Cb -0.30 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1cww s SER 96 CO 0.30 -1.38 0.00 -0.24 0.41 0.00 0.00 173.24 172.33