#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 4.23 -0.54 1.61 0.05 -1.26 -5.03 135.00 134.06 1cww s PRO -4 Ca 0.00 0.77 -0.09 0.00 0.05 0.00 0.00 61.00 61.73 1cww s PRO -4 Cb 0.00 -3.58 0.14 0.00 0.05 0.00 0.00 34.50 31.10 1cww s PRO -4 CO 0.00 -0.30 0.42 -0.51 0.05 0.00 0.00 177.00 176.66 1cww s LEU -3 N 2.08 5.80 0.00 -3.56 1.02 -1.26 -4.91 118.68 117.85 1cww s LEU -3 Ca 0.32 -2.14 0.00 0.00 0.02 0.00 0.00 54.13 52.33 1cww s LEU -3 Cb -0.16 -2.02 0.00 0.00 0.02 0.00 0.00 46.19 44.03 1cww s LEU -3 CO 0.11 -0.64 0.00 0.61 0.02 0.00 0.00 176.35 176.44 1cww n GLY -2 N 4.60 -0.09 3.07 -3.19 0.00 -1.26 -4.98 105.19 103.34 1cww n GLY -2 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1cww n GLY -2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cww s SER -1 N -1.21 0.40 0.60 1.61 0.01 -1.24 -4.20 113.70 109.68 1cww s SER -1 Ca 0.00 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1cww s SER -1 Cb 0.00 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1cww s SER -1 CO 0.00 -0.53 0.00 1.15 0.41 0.00 0.00 173.24 174.27 1cww n MET 1 N 0.47 0.19 -2.28 12.44 0.00 -1.17 -4.62 117.12 122.13 1cww n MET 1 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.12 1cww n MET 1 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.78 1cww n MET 1 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1cww s ASP 2 N -1.18 6.97 0.27 3.17 2.15 -1.26 -4.89 116.67 121.90 1cww s ASP 2 Ca 0.00 2.32 -0.03 0.00 0.43 0.00 0.00 52.55 55.27 1cww s ASP 2 Cb 0.00 -2.61 0.35 0.00 -0.30 0.00 0.00 42.92 40.37 1cww s ASP 2 CO 0.00 -0.47 1.86 0.00 -0.17 0.00 0.00 175.17 176.40 1cww h ALA 3 N 5.40 1.24 -0.33 3.66 0.00 -1.97 0.35 119.26 127.61 1cww h ALA 3 Ca -0.44 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1cww h ALA 3 Cb 1.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1cww h ALA 3 CO 0.76 0.58 -0.09 0.87 0.00 0.00 0.00 179.25 181.37 1cww h LYS 4 N 1.01 0.65 0.13 0.00 6.56 -1.97 0.15 116.57 123.09 1cww h LYS 4 Ca 0.24 -0.25 -0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1cww h LYS 4 Cb 0.12 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1cww h LYS 4 CO -0.03 0.83 -0.06 0.00 -2.06 0.00 0.00 179.45 178.12 1cww h ALA 5 N 0.80 -0.17 -0.28 3.86 0.00 -1.77 0.05 119.26 121.75 1cww h ALA 5 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cww h ALA 5 Cb 0.59 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1cww h ALA 5 CO 0.04 -0.48 0.18 -0.09 0.00 0.00 0.00 179.25 178.90 1cww h ARG 6 N -0.42 0.37 0.01 0.00 2.43 -0.29 -2.22 114.38 114.26 1cww h ARG 6 Ca -0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1cww h ARG 6 Cb 0.34 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1cww h ARG 6 CO 0.03 0.25 -0.00 -0.91 -1.51 0.00 0.00 179.97 177.83 1cww h ASN 7 N 0.38 -0.01 -0.32 -3.80 2.35 -0.54 -2.34 115.58 111.30 1cww h ASN 7 Ca 0.10 -0.72 0.09 0.00 -0.55 0.00 0.00 56.30 55.22 1cww h ASN 7 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1cww h ASN 7 CO -0.02 0.73 0.43 0.00 -1.65 0.00 0.00 177.43 176.92 1cww h LEU 9 N 0.00 -0.26 0.00 0.00 5.85 -1.29 -3.29 115.31 116.31 1cww h LEU 9 Ca 0.15 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 1cww h LEU 9 Cb 1.00 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1cww h LEU 9 CO -0.00 0.08 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.36 1cww h LEU 10 N -0.84 0.00 -1.41 2.25 3.38 -0.76 -3.29 115.31 114.63 1cww h LEU 10 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1cww h LEU 10 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1cww h LEU 10 CO 0.05 0.49 -0.18 -0.61 0.09 0.00 0.00 178.44 178.28 1cww h GLN 11 N 0.00 0.16 -1.87 1.13 4.15 0.17 -2.46 115.11 116.39 1cww h GLN 11 Ca -0.04 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.20 1cww h GLN 11 Cb 1.41 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 29.03 1cww h GLN 11 CO 0.06 0.35 0.09 0.72 -1.93 0.00 0.00 178.83 178.11 1cww n HIS 12 N -4.25 0.50 -0.46 3.99 8.25 -1.24 -4.50 115.22 117.51 1cww n HIS 12 Ca -0.01 -1.37 0.40 0.00 -0.26 0.00 0.00 57.72 56.48 1cww n HIS 12 Cb 0.29 -0.79 0.74 0.00 1.12 0.00 0.00 29.99 31.35 1cww n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cww h ARG 13 N 1.45 0.04 -0.89 -0.41 2.47 -1.67 0.77 114.38 116.14 1cww h ARG 13 Ca 0.12 -0.00 0.25 0.00 -1.26 0.00 0.00 59.98 59.09 1cww h ARG 13 Cb 1.02 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.29 1cww h ARG 13 CO 0.28 0.03 0.63 1.05 0.56 0.00 0.00 179.97 182.52 1cww h GLU 14 N 0.04 0.04 0.00 0.04 4.11 -1.89 -2.73 114.58 114.19 1cww h GLU 14 Ca 0.71 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.14 1cww h GLU 14 Cb 2.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.96 1cww h GLU 14 CO -0.08 0.02 -0.53 0.00 0.07 0.00 0.00 179.01 178.49 1cww n ALA 15 N -2.69 1.47 -1.00 1.06 0.00 0.22 -4.69 120.51 114.88 1cww n ALA 15 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1cww n ALA 15 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 -1.00 0.00 0.07 0.00 -0.00 0.13 0.00 117.00 116.20 1cww n LEU 16 Ca 0.00 0.32 0.07 0.00 -0.00 0.00 0.00 56.01 56.41 1cww n LEU 16 Cb 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 43.77 1cww n LEU 16 CO 0.00 0.00 0.73 1.21 -0.00 0.00 0.00 177.39 179.33 1cww n GLU 17 N -0.49 0.08 0.08 1.96 2.13 -1.25 0.54 120.64 123.69 1cww n GLU 17 Ca 0.00 0.45 -0.15 0.00 0.66 0.00 0.00 57.16 58.13 1cww n GLU 17 Cb 0.00 -1.71 -0.14 0.00 0.27 0.00 0.00 31.44 29.86 1cww n GLU 17 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1cww h LYS 18 N 0.00 0.21 0.00 5.31 6.56 -1.71 -3.40 116.57 123.54 1cww h LYS 18 Ca 0.00 -0.37 -0.08 0.00 -1.06 0.00 0.00 60.65 59.14 1cww h LYS 18 Cb 0.15 0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 1cww h LYS 18 CO 0.00 1.12 -1.33 -0.25 -2.06 0.00 0.00 179.45 176.93 1cww n ASP 19 N -3.46 3.77 -4.68 0.86 8.00 0.10 -5.00 116.55 116.15 1cww n ASP 19 Ca -0.11 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 54.93 1cww n ASP 19 Cb 1.02 0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 42.77 1cww n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cww n ILE 20 N -2.13 0.43 -4.21 0.53 3.06 0.19 -4.96 119.36 112.27 1cww n ILE 20 Ca -0.07 -0.08 -0.12 0.00 -2.50 0.00 0.00 62.75 59.98 1cww n ILE 20 Cb 0.60 -1.85 -0.10 0.00 0.54 0.00 0.00 39.64 38.83 1cww n ILE 20 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1cww s LYS 21 N 3.18 0.98 0.00 9.51 2.20 -1.26 -4.86 119.74 129.49 1cww s LYS 21 Ca 0.88 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1cww s LYS 21 Cb -0.65 -0.30 0.00 0.00 -1.51 0.00 0.00 37.83 35.37 1cww s LYS 21 CO 0.46 -0.04 0.00 -2.37 -0.36 0.00 0.00 175.35 173.04 1cww n THR 22 N -0.15 0.00 0.00 3.43 5.66 -1.26 -4.65 114.28 117.31 1cww n THR 22 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1cww n THR 22 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 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 -0.05 1.09 7.64 -1.26 -0.10 113.62 120.93 1cww n SER 23 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1cww n SER 23 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.29 -0.95 1.43 -1.99 -1.99 0.34 116.97 114.10 1cww h TYR 24 Ca 0.00 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.73 1cww h TYR 24 Cb 0.00 -0.09 -0.05 0.00 2.00 0.00 0.00 36.73 38.59 1cww h TYR 24 CO 0.00 0.34 0.63 0.82 -0.00 0.00 0.00 178.16 179.95 1cww h ILE 25 N 0.15 1.21 0.00 -2.88 2.04 -0.78 -0.38 117.51 116.88 1cww h ILE 25 Ca 0.06 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1cww h ILE 25 Cb 0.18 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1cww h ILE 25 CO -0.01 0.23 0.00 -0.03 0.00 0.00 0.00 178.15 178.34 1cww h MET 26 N 1.26 0.00 -0.28 2.37 4.05 -1.23 -2.90 114.93 118.20 1cww h MET 26 Ca 0.36 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.62 1cww h MET 26 Cb -0.09 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 1cww h MET 26 CO -0.09 0.00 -0.47 0.22 0.23 0.00 0.00 176.91 176.79 1cww h ASP 27 N 0.00 0.82 0.19 1.39 1.82 0.82 -1.66 116.42 119.80 1cww h ASP 27 Ca 0.00 -0.40 -0.16 0.00 -0.39 0.00 0.00 57.03 56.07 1cww h ASP 27 Cb 0.83 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1cww h ASP 27 CO 0.00 1.16 -0.62 0.45 -1.61 0.00 0.00 179.24 178.62 1cww h HIS 28 N 0.60 0.54 -0.55 0.28 3.86 -1.43 -0.91 115.15 117.54 1cww h HIS 28 Ca 0.03 -0.21 -0.10 0.00 -1.16 0.00 0.00 60.37 58.93 1cww h HIS 28 Cb 1.04 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 1cww h HIS 28 CO 0.06 0.93 -0.05 0.52 0.86 0.00 0.00 177.93 180.24 1cww h MET 29 N 0.31 0.98 0.06 2.45 2.86 -1.29 0.28 114.93 120.58 1cww h MET 29 Ca -0.01 -0.32 -0.26 0.00 -2.06 0.00 0.00 59.70 57.05 1cww h MET 29 Cb 1.16 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.75 1cww h MET 29 CO 0.11 0.99 -1.09 0.82 1.06 0.00 0.00 176.91 178.80 1cww h ILE 30 N 0.89 1.39 -0.01 -1.22 2.04 -1.27 -2.12 117.51 117.20 1cww h ILE 30 Ca 0.15 -2.58 -0.06 0.00 1.00 0.00 0.00 64.86 63.38 1cww h ILE 30 Cb 0.59 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1cww h ILE 30 CO 0.04 0.77 -0.26 -1.28 0.00 0.00 0.00 178.15 177.41 1cww h SER 31 N 0.21 0.02 0.96 1.72 0.87 -1.03 -0.41 113.55 115.89 1cww h SER 31 Ca -0.12 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.34 1cww h SER 31 Cb 1.75 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.69 1cww h SER 31 CO 0.19 0.29 -0.44 0.44 -0.53 0.00 0.00 176.83 176.77 1cww h ASP 32 N 0.02 0.00 0.00 6.23 3.32 -0.87 -3.47 116.42 121.65 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 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1cww h ASP 32 CO 0.03 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 1cww n GLY 33 N 0.47 0.77 0.18 2.75 0.00 -0.16 -4.93 105.19 104.27 1cww n GLY 33 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.68 1.61 -1.00 -1.61 -3.40 116.94 108.85 1cww h PHE 34 Ca 0.00 0.00 -0.69 0.00 2.81 0.00 0.00 57.97 60.09 1cww h PHE 34 Cb 0.00 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 39.26 1cww h PHE 34 CO 0.00 0.24 -0.64 -0.51 -1.61 0.00 0.00 178.31 175.80 1cww s LEU 35 N -6.33 4.12 0.84 1.54 1.02 -1.07 -5.00 118.68 113.79 1cww s LEU 35 Ca 0.06 -1.12 -0.12 0.00 0.02 0.00 0.00 54.13 52.96 1cww s LEU 35 Cb 0.06 -1.82 0.10 0.00 0.02 0.00 0.00 46.19 44.54 1cww s LEU 35 CO 0.71 -0.29 1.17 -0.89 0.02 0.00 0.00 176.35 177.07 1cww s THR 36 N 1.37 2.00 0.28 5.49 2.01 -1.26 -4.48 115.64 121.05 1cww s THR 36 Ca -0.02 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1cww s THR 36 Cb -0.19 -2.94 0.27 0.00 0.01 0.00 0.00 72.50 69.65 1cww s THR 36 CO 0.02 0.00 1.81 0.40 -0.69 0.00 0.00 174.62 176.15 1cww h ILE 37 N -1.17 0.84 -0.15 1.82 1.08 -1.97 0.58 117.51 118.54 1cww h ILE 37 Ca -0.47 -0.30 -0.14 0.00 -0.39 0.00 0.00 64.86 63.56 1cww h ILE 37 Cb 1.33 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1cww h ILE 37 CO 0.65 0.16 -0.52 0.77 -0.69 0.00 0.00 178.15 178.52 1cww h SER 38 N 0.86 0.44 -0.21 1.72 4.64 -1.99 0.48 113.55 119.51 1cww h SER 38 Ca 0.50 -0.22 -0.13 0.00 -0.47 0.00 0.00 61.79 61.46 1cww h SER 38 Cb 0.60 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1cww h SER 38 CO -0.31 0.88 -0.34 -0.08 -0.87 0.00 0.00 176.83 176.11 1cww h GLU 39 N 0.32 0.72 -0.03 4.77 4.57 -1.38 -2.99 114.58 120.57 1cww h GLU 39 Ca 0.01 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1cww h GLU 39 Cb 1.01 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1cww h GLU 39 CO 0.09 0.96 -0.00 1.49 -1.18 0.00 0.00 179.01 180.37 1cww h GLU 40 N 0.61 0.05 -0.43 1.92 4.81 0.41 -3.26 114.58 118.68 1cww h GLU 40 Ca 0.06 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1cww h GLU 40 Cb 0.87 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.20 1cww h GLU 40 CO 0.08 0.36 -0.25 0.39 -0.73 0.00 0.00 179.01 178.85 1cww n GLU 41 N -4.90 -0.19 0.36 1.92 -0.58 0.17 -0.29 120.64 117.13 1cww n GLU 41 Ca -0.07 1.06 -0.18 0.00 -0.42 0.00 0.00 57.16 57.54 1cww n GLU 41 Cb 0.18 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.40 1cww n GLU 41 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1cww h LYS 42 N 0.00 -0.92 -0.63 3.49 1.79 -1.66 0.94 116.57 119.58 1cww h LYS 42 Ca 0.07 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.74 1cww h LYS 42 Cb 0.17 0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 1cww h LYS 42 CO -0.40 -0.61 0.43 0.28 -1.08 0.00 0.00 179.45 178.07 1cww h VAL 43 N -0.96 0.80 0.15 0.50 2.07 -1.52 -2.14 116.25 115.16 1cww h VAL 43 Ca -0.08 -0.09 -0.33 0.00 0.82 0.00 0.00 66.70 67.01 1cww h VAL 43 Cb 0.76 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1cww h VAL 43 CO 0.10 0.05 -1.67 -0.09 0.02 0.00 0.00 177.57 175.98 1cww h ARG 44 N 0.26 0.32 0.00 1.57 2.43 -0.37 -3.36 114.38 115.24 1cww h ARG 44 Ca 0.30 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1cww h ARG 44 Cb 0.82 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1cww h ARG 44 CO -0.07 1.21 0.00 0.27 -1.51 0.00 0.00 179.97 179.87 1cww n ASN 45 N -3.52 0.59 -4.79 -3.80 2.04 0.32 -4.82 115.26 101.29 1cww n ASN 45 Ca -0.21 0.62 -0.31 0.00 -0.44 0.00 0.00 54.58 54.24 1cww n ASN 45 Cb 1.06 -0.75 0.08 0.00 -2.53 0.00 0.00 39.78 37.63 1cww n ASN 45 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1cww s GLU 46 N -3.22 2.49 0.00 -3.83 0.41 -0.91 -5.03 118.70 108.61 1cww s GLU 46 Ca 0.06 1.02 0.00 0.00 -0.41 0.00 0.00 54.97 55.65 1cww s GLU 46 Cb 0.10 -1.93 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 1cww s GLU 46 CO 0.42 -1.44 0.66 -2.30 -0.49 0.00 0.00 175.26 172.12 1cww n PRO 47 N -3.37 0.00 -0.89 0.39 -0.02 -1.26 -4.83 135.00 125.02 1cww n PRO 47 Ca 0.08 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1cww n PRO 47 Cb 0.54 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.41 0.00 -0.18 3.45 -2.24 -1.26 -4.95 114.28 107.69 1cww n THR 48 Ca 0.00 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 62.08 1cww n THR 48 Cb 0.00 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.95 0.96 115.11 117.49 1cww h GLN 49 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1cww h GLN 49 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1cww h GLN 49 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 177.84 1cww n GLN 50 N -3.83 0.00 0.00 1.69 7.27 -1.26 -0.99 117.38 120.26 1cww n GLN 50 Ca 0.20 0.19 0.13 0.00 0.07 0.00 0.00 57.00 57.59 1cww n GLN 50 Cb 1.13 -0.89 0.50 0.00 2.41 0.00 0.00 30.24 33.39 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 -0.58 0.13 -0.06 3.69 -0.06 -1.14 -2.59 117.38 116.77 1cww n GLN 51 Ca 0.00 -0.04 -0.05 0.00 -2.00 0.00 0.00 57.00 54.91 1cww n GLN 51 Cb 0.00 -1.50 -0.04 0.00 -4.06 0.00 0.00 30.24 24.64 1cww n GLN 51 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cww h ARG 52 N 0.10 0.00 -0.34 3.69 3.08 -0.84 -2.82 114.38 117.25 1cww h ARG 52 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1cww h ARG 52 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1cww h ARG 52 CO 0.00 0.29 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 1cww h ALA 53 N -0.75 0.46 0.00 0.04 0.00 -1.21 -2.08 119.26 115.72 1cww h ALA 53 Ca -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1cww h ALA 53 Cb 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cww h ALA 53 CO -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.43 1cww h ALA 54 N 0.86 1.95 -0.01 0.00 0.00 -1.49 0.76 119.26 121.33 1cww h ALA 54 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1cww h ALA 54 Cb 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1cww h ALA 54 CO 0.02 0.03 -0.65 1.98 0.00 0.00 0.00 179.25 180.62 1cww h MET 55 N 0.00 0.04 0.10 0.00 -1.53 -1.18 0.21 114.93 112.57 1cww h MET 55 Ca -0.00 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.22 1cww h MET 55 Cb 0.04 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.09 1cww h MET 55 CO 0.00 0.68 -0.05 1.25 0.14 0.00 0.00 176.91 178.93 1cww h LEU 56 N 0.03 -0.12 -1.83 3.39 5.85 -0.26 -0.55 115.31 121.81 1cww h LEU 56 Ca -0.01 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1cww h LEU 56 Cb 1.16 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1cww h LEU 56 CO 0.09 0.35 -0.09 0.40 -0.34 0.00 0.00 178.44 178.84 1cww h ILE 57 N -0.61 1.05 -0.31 4.05 2.04 -1.00 -2.15 117.51 120.57 1cww h ILE 57 Ca -0.01 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.37 1cww h ILE 57 Cb 0.49 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1cww h ILE 57 CO 0.02 0.09 -0.48 0.50 0.00 0.00 0.00 178.15 178.28 1cww h LYS 58 N 0.00 0.87 0.02 2.37 1.63 -0.38 -2.36 116.57 118.71 1cww h LYS 58 Ca -0.00 -0.52 0.02 0.00 -0.85 0.00 0.00 60.65 59.30 1cww h LYS 58 Cb 0.16 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1cww h LYS 58 CO 0.01 1.16 -0.14 0.52 -3.45 0.00 0.00 179.45 177.56 1cww h MET 59 N 0.66 -0.23 -0.83 1.90 2.86 -0.43 -1.95 114.93 116.90 1cww h MET 59 Ca 0.03 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1cww h MET 59 Cb 1.08 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.74 1cww h MET 59 CO 0.11 -0.15 0.54 0.82 1.06 0.00 0.00 176.91 179.29 1cww h ILE 60 N -0.24 0.94 -0.51 -1.22 2.04 -1.51 -0.19 117.51 116.82 1cww h ILE 60 Ca 0.04 -0.27 0.10 0.00 1.00 0.00 0.00 64.86 65.74 1cww h ILE 60 Cb 0.29 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1cww h ILE 60 CO -0.13 0.14 0.35 -0.07 0.00 0.00 0.00 178.15 178.44 1cww h LEU 61 N 0.78 0.21 -3.61 1.44 3.38 -0.80 -0.86 115.31 115.85 1cww h LEU 61 Ca 0.39 0.01 -0.42 0.00 0.09 0.00 0.00 57.88 57.94 1cww h LEU 61 Cb 0.46 -0.04 -0.29 0.00 0.09 0.00 0.00 40.66 40.88 1cww h LEU 61 CO -0.16 0.13 -0.40 1.17 0.09 0.00 0.00 178.44 179.27 1cww n LYS 62 N -4.45 2.87 -0.79 1.13 0.00 -0.13 -4.99 118.16 111.80 1cww n LYS 62 Ca 0.08 -3.74 0.00 0.00 0.00 0.00 0.00 58.31 54.65 1cww n LYS 62 Cb 0.41 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 33.34 1cww n LYS 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1cww n LYS 63 N -0.88 2.53 -4.52 1.64 4.76 -0.33 -4.97 118.16 116.41 1cww n LYS 63 Ca 0.41 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.59 1cww n LYS 63 Cb 0.90 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 34.01 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 0.21 2.82 0.60 4.39 -4.77 -1.26 -3.04 116.67 115.62 1cww s ASP 64 Ca 0.00 -1.70 0.36 0.00 -3.30 0.00 0.00 52.55 47.91 1cww s ASP 64 Cb 0.00 0.55 1.94 0.00 -1.09 0.00 0.00 42.92 44.32 1cww s ASP 64 CO 0.00 -0.96 2.24 -0.55 0.70 0.00 0.00 175.17 176.60 1cww h ASN 65 N 1.77 0.00 -0.17 2.11 7.08 -1.90 0.34 115.58 124.80 1cww h ASN 65 Ca -0.35 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.86 1cww h ASN 65 Cb 1.27 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.51 1cww h ASN 65 CO 0.55 0.03 0.06 -0.78 -2.08 0.00 0.00 177.43 175.21 1cww h ASP 66 N 0.00 0.25 0.82 6.14 3.58 -1.98 0.56 116.42 125.79 1cww h ASP 66 Ca -0.00 -0.19 -0.21 0.00 0.42 0.00 0.00 57.03 57.05 1cww h ASP 66 Cb 0.13 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1cww h ASP 66 CO 0.00 0.37 -0.96 0.28 -2.88 0.00 0.00 179.24 176.05 1cww h SER 67 N 0.11 0.11 -0.37 2.28 0.02 -1.77 -2.49 113.55 111.43 1cww h SER 67 Ca 0.06 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1cww h SER 67 Cb 0.21 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1cww h SER 67 CO -0.00 1.00 -0.03 0.22 -1.14 0.00 0.00 176.83 176.89 1cww h TYR 68 N 0.03 0.74 0.00 3.45 3.20 -0.13 0.85 116.97 125.12 1cww h TYR 68 Ca -0.03 -0.14 -0.08 0.00 3.14 0.00 0.00 58.73 61.62 1cww h TYR 68 Cb 1.66 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 1cww h TYR 68 CO 0.01 0.78 -0.39 0.28 -1.64 0.00 0.00 178.16 177.21 1cww h VAL 69 N 0.49 0.95 -0.06 1.81 2.07 0.06 0.29 116.25 121.87 1cww h VAL 69 Ca 0.10 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1cww h VAL 69 Cb 0.51 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1cww h VAL 69 CO 0.02 0.38 -0.05 -1.28 0.02 0.00 0.00 177.57 176.67 1cww h SER 70 N 0.00 0.14 -1.00 0.57 0.87 -0.92 0.18 113.55 113.38 1cww h SER 70 Ca -0.00 -0.47 0.05 0.00 -1.23 0.00 0.00 61.79 60.13 1cww h SER 70 Cb 0.88 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 1cww h SER 70 CO 0.05 0.58 0.65 0.15 -0.53 0.00 0.00 176.83 177.73 1cww h PHE 71 N -0.30 1.22 -0.40 2.24 3.57 0.10 -0.15 116.94 123.23 1cww h PHE 71 Ca 0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1cww h PHE 71 Cb 0.53 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1cww h PHE 71 CO 0.09 0.68 0.16 -0.92 -2.23 0.00 0.00 178.31 176.08 1cww h TYR 72 N 1.24 0.28 -0.82 0.41 3.20 -0.17 -1.49 116.97 119.62 1cww h TYR 72 Ca 0.41 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.33 1cww h TYR 72 Cb 0.05 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 1cww h TYR 72 CO -0.00 0.12 0.54 -0.97 -1.64 0.00 0.00 178.16 176.21 1cww h ASN 73 N 0.33 0.88 -0.03 -2.11 -0.73 0.75 -1.63 115.58 113.04 1cww h ASN 73 Ca 0.18 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.25 1cww h ASN 73 Cb 0.14 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1cww h ASN 73 CO -0.17 0.61 -0.22 0.00 -0.37 0.00 0.00 177.43 177.28 1cww h ALA 74 N 1.52 1.19 -0.33 1.57 0.00 -0.09 -0.93 119.26 122.20 1cww h ALA 74 Ca 0.32 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1cww h ALA 74 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1cww h ALA 74 CO -0.09 0.52 -0.09 -0.07 0.00 0.00 0.00 179.25 179.51 1cww h LEU 75 N 0.38 0.52 0.00 0.00 3.38 -0.57 -1.62 115.31 117.40 1cww h LEU 75 Ca 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1cww h LEU 75 Cb 0.60 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1cww h LEU 75 CO 0.04 0.66 -0.07 -0.07 0.09 0.00 0.00 178.44 179.09 1cww h LEU 76 N 0.51 0.00 -0.08 1.67 4.07 -1.07 -1.90 115.31 118.50 1cww h LEU 76 Ca 0.10 -0.01 -0.21 0.00 0.08 0.00 0.00 57.88 57.84 1cww h LEU 76 Cb 0.47 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.22 1cww h LEU 76 CO 0.03 0.00 -0.76 -0.74 -1.08 0.00 0.00 178.44 175.89 1cww h HIS 77 N 0.00 0.93 0.00 1.13 2.76 -0.24 -3.46 115.15 116.27 1cww h HIS 77 Ca 0.00 -0.45 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1cww h HIS 77 Cb 0.88 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1cww h HIS 77 CO 0.00 1.27 0.00 0.39 -1.30 0.00 0.00 177.93 178.29 1cww n GLU 78 N -4.02 2.91 -2.59 5.26 -0.58 -0.89 -5.02 120.64 115.71 1cww n GLU 78 Ca -0.09 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.36 1cww n GLU 78 Cb 0.74 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.60 1cww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cww n GLY 79 N 5.00 5.84 2.63 0.62 0.00 -1.25 -4.74 105.19 113.29 1cww n GLY 79 Ca 0.00 -2.74 -0.10 0.00 0.00 0.00 0.00 46.02 43.18 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 -0.39 1.62 0.29 1.61 4.01 -0.72 -4.85 117.16 118.73 1cww n TYR 80 Ca 0.38 -2.64 0.16 0.00 -0.16 0.00 0.00 57.90 55.65 1cww n TYR 80 Cb 0.51 -0.30 0.59 0.00 -0.31 0.00 0.00 39.34 39.83 1cww n TYR 80 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1cww h LYS 81 N 2.78 0.00 -0.00 -0.72 3.64 -1.85 -2.89 116.57 117.53 1cww h LYS 81 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1cww h LYS 81 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1cww h LYS 81 CO 0.49 0.00 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.21 1cww h ASP 82 N 0.00 0.02 -0.37 4.20 3.32 -1.91 -0.19 116.42 121.49 1cww h ASP 82 Ca 0.00 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 56.42 1cww h ASP 82 Cb 0.58 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1cww h ASP 82 CO 0.00 0.65 0.23 0.25 -1.72 0.00 0.00 179.24 178.66 1cww h LEU 83 N -0.61 0.40 -0.83 1.55 7.12 -1.96 -1.11 115.31 119.87 1cww h LEU 83 Ca -0.00 -0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.04 1cww h LEU 83 Cb 0.65 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 40.64 1cww h LEU 83 CO 0.00 0.29 0.53 0.00 -0.13 0.00 0.00 178.44 179.13 1cww h ALA 84 N 1.15 1.11 -0.50 1.25 0.00 -1.55 -1.39 119.26 119.33 1cww h ALA 84 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1cww h ALA 84 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1cww h ALA 84 CO -0.04 0.34 0.23 0.00 0.00 0.00 0.00 179.25 179.78 1cww h ALA 85 N 1.36 1.48 0.00 0.00 0.00 -0.21 0.23 119.26 122.11 1cww h ALA 85 Ca 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1cww h ALA 85 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1cww h ALA 85 CO -0.13 0.42 -0.09 -0.07 0.00 0.00 0.00 179.25 179.37 1cww h LEU 86 N 0.70 0.00 0.00 0.00 3.38 -0.11 -1.75 115.31 117.53 1cww h LEU 86 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1cww h LEU 86 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cww h LEU 86 CO -0.02 0.09 -1.04 0.18 0.09 0.00 0.00 178.44 177.74 1cww n LEU 87 N -3.89 0.77 0.23 1.67 4.32 0.02 -4.25 117.00 115.87 1cww n LEU 87 Ca -0.02 -0.31 0.16 0.00 -0.02 0.00 0.00 56.01 55.82 1cww n LEU 87 Cb 0.19 -0.05 0.84 0.00 -1.62 0.00 0.00 43.42 42.78 1cww n LEU 87 CO 0.31 0.18 1.14 -0.74 -1.22 0.00 0.00 177.39 177.05 1cww h HIS 88 N 0.00 0.00 -0.26 -1.77 2.76 0.30 0.11 115.15 116.29 1cww h HIS 88 Ca 0.00 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1cww h HIS 88 Cb 0.59 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1cww h HIS 88 CO 0.00 0.00 0.18 0.22 -1.30 0.00 0.00 177.93 177.03 1cww h ASP 89 N 0.00 0.15 0.24 3.26 1.82 -1.74 -2.10 116.42 118.05 1cww h ASP 89 Ca 0.06 -0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.59 1cww h ASP 89 Cb 0.34 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 1cww h ASP 89 CO -0.00 0.10 -1.86 0.61 -1.61 0.00 0.00 179.24 176.48 1cww n GLY 90 N -1.54 -1.09 3.70 -0.78 0.00 0.31 -4.89 105.19 100.90 1cww n GLY 90 Ca 0.02 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.16 3.98 -0.13 -0.61 -1.09 -0.79 -4.71 121.20 114.68 1cww s ILE 91 Ca -0.07 1.37 -0.00 0.00 -2.23 0.00 0.00 60.65 59.73 1cww s ILE 91 Cb 0.11 -3.88 0.11 0.00 -1.58 0.00 0.00 42.46 37.21 1cww s ILE 91 CO 0.86 0.05 1.81 -0.81 -1.23 0.00 0.00 174.94 175.62 1cww n PRO 92 N 4.69 1.34 -3.99 2.79 -0.05 -1.26 -4.80 135.00 133.72 1cww n PRO 92 Ca 0.11 -0.69 -0.34 0.00 -0.05 0.00 0.00 63.50 62.53 1cww n PRO 92 Cb 0.45 -1.27 -0.15 0.00 -0.05 0.00 0.00 33.50 32.49 1cww n PRO 92 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1cww s VAL 93 N -0.95 2.65 -0.64 0.52 1.01 -1.26 -5.01 120.40 116.72 1cww s VAL 93 Ca 0.13 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1cww s VAL 93 Cb 0.11 -2.40 0.37 0.00 0.00 0.00 0.00 36.38 34.46 1cww s VAL 93 CO 0.00 0.13 1.36 1.33 0.00 0.00 0.00 175.10 177.92 1cww n VAL 94 N 4.60 3.31 -1.69 2.92 0.24 -1.26 -4.71 118.33 121.73 1cww n VAL 94 Ca -0.16 -5.11 -0.11 0.00 -2.04 0.00 0.00 64.34 56.92 1cww n VAL 94 Cb 0.46 -1.33 0.13 0.00 -1.47 0.00 0.00 33.84 31.62 1cww n VAL 94 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1cww n SER 95 N -0.38 3.57 -4.32 -1.34 7.64 -1.26 -4.98 113.62 112.55 1cww n SER 95 Ca 0.41 -3.81 -0.37 0.00 1.01 0.00 0.00 58.87 56.11 1cww n SER 95 Cb 0.45 -0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 62.99 1cww n SER 95 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1cww s SER 96 N -3.06 5.04 0.00 6.43 1.04 -1.26 -5.34 113.70 116.55 1cww s SER 96 Ca 0.47 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1cww s SER 96 Cb 0.41 -1.85 0.01 0.00 0.10 0.00 0.00 66.02 64.69 1cww s SER 96 CO -0.01 -0.19 0.55 -1.20 0.98 0.00 0.00 173.24 173.38