#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 1.73 -2.10 1.61 -0.04 -1.26 -4.92 135.00 130.03 1cww n PRO -4 Ca 0.00 -0.98 -0.43 0.00 -0.04 0.00 0.00 63.50 62.05 1cww n PRO -4 Cb 0.00 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.58 3.85 0.00 1.53 2.96 -1.26 -4.02 118.68 121.16 1cww s LEU -3 Ca 0.41 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.90 1cww s LEU -3 Cb 0.22 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.38 1cww s LEU -3 CO -0.04 -1.31 0.00 0.61 -1.32 0.00 0.00 176.35 174.29 1cww n GLY -2 N 4.76 -1.61 3.28 7.98 0.00 -1.26 -5.04 105.19 113.29 1cww n GLY -2 Ca 0.19 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.27 2.05 0.18 1.61 0.01 -1.25 -4.30 113.70 111.73 1cww s SER -1 Ca 0.00 -1.00 0.03 0.00 1.31 0.00 0.00 55.95 56.28 1cww s SER -1 Cb 0.00 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1cww s SER -1 CO 0.00 -0.27 0.23 1.15 0.41 0.00 0.00 173.24 174.76 1cww n MET 1 N -0.22 0.86 -2.58 12.44 0.00 -1.26 -3.17 117.12 123.20 1cww n MET 1 Ca -0.10 -0.88 -0.40 0.00 0.00 0.00 0.00 57.70 56.32 1cww n MET 1 Cb 0.60 -0.07 -0.05 0.00 0.00 0.00 0.00 33.22 33.70 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 -2.03 7.40 0.12 3.17 2.15 -1.26 -4.81 116.67 121.41 1cww s ASP 2 Ca 0.17 2.11 -0.15 0.00 0.43 0.00 0.00 52.55 55.11 1cww s ASP 2 Cb -0.01 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 39.97 1cww s ASP 2 CO 0.11 -0.06 1.59 0.00 -0.17 0.00 0.00 175.17 176.64 1cww h ALA 3 N 4.26 0.51 -0.42 3.66 0.00 -1.97 0.25 119.26 125.55 1cww h ALA 3 Ca -0.45 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 1cww h ALA 3 Cb 1.21 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1cww h ALA 3 CO 0.69 0.25 0.01 -0.22 0.00 0.00 0.00 179.25 179.97 1cww h LYS 4 N 0.49 0.74 0.81 0.00 1.63 -1.92 0.09 116.57 118.40 1cww h LYS 4 Ca 0.11 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.64 1cww h LYS 4 Cb 0.40 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1cww h LYS 4 CO 0.01 0.81 -0.39 0.00 -3.45 0.00 0.00 179.45 176.43 1cww h ALA 5 N 0.90 -1.09 -0.68 5.00 0.00 -1.74 0.86 119.26 122.51 1cww h ALA 5 Ca 0.12 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1cww h ALA 5 Cb 0.47 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1cww h ALA 5 CO 0.02 -1.08 0.45 -0.09 0.00 0.00 0.00 179.25 178.55 1cww h ARG 6 N -1.15 0.57 -0.00 0.00 2.43 -0.49 -2.24 114.38 113.50 1cww h ARG 6 Ca -0.11 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 1cww h ARG 6 Cb 0.85 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1cww h ARG 6 CO 0.18 0.38 -0.29 -0.91 -1.51 0.00 0.00 179.97 177.83 1cww h ASN 7 N 0.59 0.26 -0.07 -3.80 2.35 -0.84 -1.99 115.58 112.09 1cww h ASN 7 Ca 0.31 -0.77 0.02 0.00 -0.55 0.00 0.00 56.30 55.31 1cww h ASN 7 Cb 0.43 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1cww h ASN 7 CO -0.10 0.99 0.28 0.00 -1.65 0.00 0.00 177.43 176.95 1cww h LEU 9 N 0.00 -0.04 0.00 0.00 5.85 -1.26 -3.30 115.31 116.56 1cww h LEU 9 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1cww h LEU 9 Cb 0.59 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1cww h LEU 9 CO -0.00 0.32 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.28 1cww h LEU 10 N -0.73 0.00 -0.52 2.25 3.38 -0.66 -3.25 115.31 115.78 1cww h LEU 10 Ca -0.00 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 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 0.01 0.00 -0.74 -0.61 0.09 0.00 0.00 178.44 177.19 1cww h GLN 11 N 0.00 0.02 -1.57 1.13 4.15 0.14 -2.92 115.11 116.06 1cww h GLN 11 Ca 0.00 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 1cww h GLN 11 Cb 0.94 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1cww h GLN 11 CO 0.00 0.75 0.07 0.72 -1.93 0.00 0.00 178.83 178.44 1cww n HIS 12 N -3.67 0.29 -0.36 3.99 8.25 -1.23 -4.47 115.22 118.02 1cww n HIS 12 Ca -0.01 -0.98 0.29 0.00 -0.26 0.00 0.00 57.72 56.77 1cww n HIS 12 Cb 0.72 -0.49 0.60 0.00 1.12 0.00 0.00 29.99 31.94 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 0.72 0.22 0.00 -0.41 2.47 -1.71 0.89 114.38 116.55 1cww h ARG 13 Ca 0.06 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1cww h ARG 13 Cb 1.05 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1cww h ARG 13 CO 0.13 0.15 -0.03 1.49 0.56 0.00 0.00 179.97 182.27 1cww h GLU 14 N 0.23 0.00 0.00 0.04 4.81 -1.90 -2.51 114.58 115.26 1cww h GLU 14 Ca 0.65 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 1cww h GLU 14 Cb 1.97 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.35 1cww h GLU 14 CO -0.26 0.03 -0.82 0.00 -0.73 0.00 0.00 179.01 177.23 1cww n ALA 15 N -2.21 2.30 -1.00 2.92 0.00 0.24 -4.68 120.51 118.08 1cww n ALA 15 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1cww n ALA 15 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.44 0.00 0.23 0.00 7.94 0.22 -2.20 117.00 121.75 1cww n LEU 16 Ca -0.00 0.05 0.18 0.00 -1.11 0.00 0.00 56.01 55.13 1cww n LEU 16 Cb 0.09 0.00 0.83 0.00 0.53 0.00 0.00 43.42 44.87 1cww n LEU 16 CO 0.09 0.00 1.15 -0.08 -1.11 0.00 0.00 177.39 177.44 1cww h GLU 17 N 0.00 0.00 -0.22 1.96 4.81 -1.84 0.86 114.58 120.15 1cww h GLU 17 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cww h GLU 17 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1cww h GLU 17 CO 0.00 0.00 0.14 -0.22 -0.73 0.00 0.00 179.01 178.20 1cww h LYS 18 N 0.00 0.29 0.00 1.92 3.64 -1.81 -3.35 116.57 117.26 1cww h LYS 18 Ca 0.08 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.23 1cww h LYS 18 Cb 0.72 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1cww h LYS 18 CO -0.00 0.21 -1.81 -0.25 -2.27 0.00 0.00 179.45 175.33 1cww n ASP 19 N -4.92 2.46 -4.68 4.20 9.92 -0.68 -4.99 116.55 117.86 1cww n ASP 19 Ca -0.03 -0.03 -0.46 0.00 -0.53 0.00 0.00 54.79 53.74 1cww n ASP 19 Cb 0.04 0.34 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.65 0.12 -3.82 0.53 3.06 0.29 -4.95 119.36 111.95 1cww n ILE 20 Ca -0.22 -0.02 -0.03 0.00 -2.50 0.00 0.00 62.75 59.98 1cww n ILE 20 Cb 0.83 -1.66 -0.01 0.00 0.54 0.00 0.00 39.64 39.35 1cww n ILE 20 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1cww n LYS 21 N 4.14 0.09 0.00 9.51 5.02 -1.26 -4.70 118.16 130.96 1cww n LYS 21 Ca 0.18 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1cww n LYS 21 Cb 0.30 0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.74 1cww n LYS 21 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1cww n THR 22 N -0.10 0.00 0.00 -0.18 5.66 -1.26 -4.78 114.28 113.63 1cww n THR 22 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1cww n THR 22 Cb 0.10 0.00 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 -0.24 -3.05 0.00 0.00 175.07 171.78 1cww n SER 23 N 0.00 0.00 0.00 1.09 2.88 -1.26 -0.56 113.62 115.77 1cww n SER 23 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1cww n SER 23 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1cww n SER 23 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1cww h TYR 24 N 0.00 0.10 -0.86 0.66 -1.99 -1.98 0.04 116.97 112.93 1cww h TYR 24 Ca 0.00 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.82 1cww h TYR 24 Cb 0.00 -0.03 -0.07 0.00 2.00 0.00 0.00 36.73 38.63 1cww h TYR 24 CO 0.00 0.10 0.52 0.82 -0.00 0.00 0.00 178.16 179.60 1cww h ILE 25 N 0.07 0.96 0.00 -2.88 2.04 -1.12 0.81 117.51 117.40 1cww h ILE 25 Ca 0.03 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1cww h ILE 25 Cb 0.03 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1cww h ILE 25 CO -0.01 0.16 -0.27 -0.03 0.00 0.00 0.00 178.15 178.01 1cww h MET 26 N 0.89 0.00 -0.04 2.37 4.05 -1.24 -2.65 114.93 118.30 1cww h MET 26 Ca 0.40 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.68 1cww h MET 26 Cb 0.31 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1cww h MET 26 CO -0.22 0.27 -0.63 0.22 0.23 0.00 0.00 176.91 176.78 1cww h ASP 27 N 0.00 0.20 0.86 1.39 1.82 0.12 -1.96 116.42 118.84 1cww h ASP 27 Ca -0.00 -0.12 -0.18 0.00 -0.39 0.00 0.00 57.03 56.34 1cww h ASP 27 Cb 0.83 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 1cww h ASP 27 CO 0.04 0.78 -0.87 0.45 -1.61 0.00 0.00 179.24 178.02 1cww h HIS 28 N 0.12 0.01 -0.10 0.28 3.86 -1.17 -1.91 115.15 116.25 1cww h HIS 28 Ca -0.01 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.01 1cww h HIS 28 Cb 1.14 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 1cww h HIS 28 CO 0.02 0.87 -0.70 0.52 0.86 0.00 0.00 177.93 179.50 1cww h MET 29 N 0.00 0.44 0.14 2.45 2.86 -1.23 -0.95 114.93 118.64 1cww h MET 29 Ca -0.01 -0.34 -0.29 0.00 -2.06 0.00 0.00 59.70 56.99 1cww h MET 29 Cb 1.54 0.07 0.02 0.00 0.06 0.00 0.00 31.60 33.28 1cww h MET 29 CO 0.11 0.97 -1.26 0.82 1.06 0.00 0.00 176.91 178.62 1cww h ILE 30 N 0.31 1.36 0.00 -1.22 2.04 -1.39 -2.34 117.51 116.27 1cww h ILE 30 Ca -0.02 -2.68 -0.05 0.00 1.00 0.00 0.00 64.86 63.10 1cww h ILE 30 Cb 1.27 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 40.15 1cww h ILE 30 CO 0.12 0.80 -0.25 -1.28 0.00 0.00 0.00 178.15 177.54 1cww h SER 31 N 0.19 0.00 0.58 1.72 0.87 -1.35 -0.17 113.55 115.40 1cww h SER 31 Ca -0.18 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.28 1cww h SER 31 Cb 1.95 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.89 1cww h SER 31 CO 0.23 0.25 -0.50 -0.78 -0.53 0.00 0.00 176.83 175.50 1cww h ASP 32 N 0.00 0.00 0.00 6.23 1.82 -1.10 -3.47 116.42 119.90 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cww h ASP 32 Cb 0.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1cww h ASP 32 CO 0.03 0.50 0.00 0.61 -1.61 0.00 0.00 179.24 178.77 1cww n GLY 33 N 0.03 0.42 0.09 -0.78 0.00 -0.07 -4.93 105.19 99.95 1cww n GLY 33 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.20 -3.57 1.61 -1.00 -1.71 -3.41 116.94 109.07 1cww h PHE 34 Ca 0.00 -0.13 -0.70 0.00 2.81 0.00 0.00 57.97 59.95 1cww h PHE 34 Cb 0.00 -0.01 -0.20 0.00 3.61 0.00 0.00 35.95 39.35 1cww h PHE 34 CO 0.00 1.06 -0.37 -0.51 -1.61 0.00 0.00 178.31 176.88 1cww s LEU 35 N -7.02 4.87 0.00 1.54 1.02 -0.91 -5.01 118.68 113.17 1cww s LEU 35 Ca -0.01 -0.68 -0.09 0.00 0.02 0.00 0.00 54.13 53.36 1cww s LEU 35 Cb 0.09 -2.23 0.14 0.00 0.02 0.00 0.00 46.19 44.22 1cww s LEU 35 CO 0.84 -0.43 0.87 0.35 0.02 0.00 0.00 176.35 178.00 1cww n THR 36 N 5.23 0.00 0.25 5.49 -2.24 -1.26 -4.35 114.28 117.40 1cww n THR 36 Ca -0.10 -0.76 0.09 0.00 -2.27 0.00 0.00 64.05 61.01 1cww n THR 36 Cb 0.48 -1.53 0.66 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.32 0.86 -0.09 2.28 2.04 -1.97 0.12 117.51 119.42 1cww h ILE 37 Ca -0.28 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1cww h ILE 37 Cb 0.82 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1cww h ILE 37 CO 0.22 0.10 -0.17 -1.28 0.00 0.00 0.00 178.15 177.02 1cww h SER 38 N 0.00 0.30 -0.76 1.72 0.87 -1.99 0.59 113.55 114.29 1cww h SER 38 Ca -0.00 -0.56 -0.02 0.00 -1.23 0.00 0.00 61.79 59.99 1cww h SER 38 Cb 0.22 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 1cww h SER 38 CO 0.01 0.80 0.41 -0.33 -0.53 0.00 0.00 176.83 177.20 1cww h GLU 39 N -0.19 1.06 0.07 2.24 3.07 -1.70 -2.67 114.58 116.46 1cww h GLU 39 Ca 0.00 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1cww h GLU 39 Cb 0.75 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1cww h GLU 39 CO 0.04 0.79 -0.03 1.49 -1.40 0.00 0.00 179.01 179.90 1cww h GLU 40 N 1.05 -0.09 -0.16 2.33 4.81 -0.76 -3.00 114.58 118.76 1cww h GLU 40 Ca 0.27 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.55 1cww h GLU 40 Cb 0.04 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1cww h GLU 40 CO -0.04 0.05 -0.41 1.49 -0.73 0.00 0.00 179.01 179.37 1cww h GLU 41 N -0.21 -0.45 -0.01 1.92 4.57 -0.61 -0.49 114.58 119.30 1cww h GLU 41 Ca -0.01 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1cww h GLU 41 Cb 0.18 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1cww h GLU 41 CO 0.02 -0.30 0.01 0.87 -1.18 0.00 0.00 179.01 178.43 1cww h LYS 42 N -0.46 0.02 -0.74 1.92 1.57 -1.53 0.21 116.57 117.55 1cww h LYS 42 Ca 0.09 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1cww h LYS 42 Cb 0.61 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1cww h LYS 42 CO -0.41 0.04 0.46 0.28 -0.57 0.00 0.00 179.45 179.25 1cww h VAL 43 N -0.01 1.07 0.00 0.50 2.07 -1.40 -1.41 116.25 117.07 1cww h VAL 43 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1cww h VAL 43 Cb 0.03 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1cww h VAL 43 CO -0.00 0.16 0.00 -0.09 0.02 0.00 0.00 177.57 177.66 1cww h ARG 44 N 0.88 0.00 0.02 1.57 2.43 -0.90 -3.25 114.38 115.12 1cww h ARG 44 Ca 0.31 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.23 1cww h ARG 44 Cb 0.06 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1cww h ARG 44 CO -0.13 0.00 -1.02 -0.91 -1.51 0.00 0.00 179.97 176.40 1cww h ASN 45 N 0.00 0.68 -3.26 -3.80 -0.26 0.53 -3.46 115.58 106.01 1cww h ASN 45 Ca 0.00 -0.56 -0.58 0.00 -0.56 0.00 0.00 56.30 54.60 1cww h ASN 45 Cb 0.70 -0.21 0.13 0.00 -1.06 0.00 0.00 38.32 37.89 1cww h ASN 45 CO 0.00 1.37 0.26 -0.62 -1.06 0.00 0.00 177.43 177.38 1cww n GLU 46 N -3.77 1.48 0.26 0.81 -0.58 -1.02 -4.95 120.64 112.87 1cww n GLU 46 Ca -0.09 0.53 -0.14 0.00 -0.42 0.00 0.00 57.16 57.04 1cww n GLU 46 Cb 0.87 -2.16 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.61 -0.78 0.00 3.49 0.11 -1.91 -3.43 132.00 131.08 1cww h PRO 47 Ca -0.46 0.05 -0.62 0.00 0.11 0.00 0.00 66.00 65.09 1cww h PRO 47 Cb 1.33 0.18 -0.13 0.00 0.11 0.00 0.00 31.00 32.48 1cww h PRO 47 CO 0.57 -0.52 -0.49 0.25 -0.21 0.00 0.00 178.00 177.60 1cww n THR 48 N -4.71 0.00 -0.06 -1.15 -2.24 -1.26 -4.97 114.28 99.88 1cww n THR 48 Ca -0.10 -2.50 0.25 0.00 -2.27 0.00 0.00 64.05 59.43 1cww n THR 48 Cb 0.36 0.77 0.67 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.24 115.11 116.77 1cww h GLN 49 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1cww h GLN 49 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1cww h GLN 49 CO 0.59 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 178.43 1cww n GLN 50 N -3.65 0.00 0.06 1.69 7.27 -1.26 0.62 117.38 122.10 1cww n GLN 50 Ca 0.15 0.76 0.12 0.00 0.07 0.00 0.00 57.00 58.10 1cww n GLN 50 Cb 0.97 -1.33 0.16 0.00 2.41 0.00 0.00 30.24 32.44 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 -2.21 0.30 0.33 3.69 6.02 -0.95 -2.63 117.38 121.92 1cww n GLN 51 Ca 0.00 0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.93 1cww n GLN 51 Cb 0.00 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 29.52 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 -0.85 -0.31 -1.09 2.43 -0.20 0.13 114.38 114.49 1cww h ARG 52 Ca 0.00 0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1cww h ARG 52 Cb 0.75 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1cww h ARG 52 CO 0.00 -0.57 -0.15 0.00 -1.51 0.00 0.00 179.97 177.74 1cww h ALA 53 N -1.24 0.44 -0.80 2.80 0.00 0.02 -2.66 119.26 117.82 1cww h ALA 53 Ca -0.09 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.56 1cww h ALA 53 Cb 0.68 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1cww h ALA 53 CO 0.15 0.34 0.52 0.00 0.00 0.00 0.00 179.25 180.26 1cww h ALA 54 N 0.76 1.68 -0.49 0.00 0.00 -1.52 0.56 119.26 120.25 1cww h ALA 54 Ca 0.07 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1cww h ALA 54 Cb 0.68 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1cww h ALA 54 CO 0.05 0.18 -0.01 1.98 0.00 0.00 0.00 179.25 181.45 1cww h MET 55 N 0.81 0.83 0.24 0.00 -1.53 -0.50 0.56 114.93 115.35 1cww h MET 55 Ca 0.36 -0.23 -0.01 0.00 -3.44 0.00 0.00 59.70 56.37 1cww h MET 55 Cb 0.33 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 1cww h MET 55 CO -0.13 0.84 -0.12 1.25 0.14 0.00 0.00 176.91 178.89 1cww h LEU 56 N 0.77 -0.28 -1.09 3.39 5.85 -0.64 0.91 115.31 124.23 1cww h LEU 56 Ca 0.15 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1cww h LEU 56 Cb 0.48 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1cww h LEU 56 CO 0.02 -0.02 0.62 0.40 -0.34 0.00 0.00 178.44 179.12 1cww h ILE 57 N -0.54 1.17 -0.14 4.05 2.04 -0.81 -1.67 117.51 121.61 1cww h ILE 57 Ca -0.03 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 1cww h ILE 57 Cb 0.40 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 1cww h ILE 57 CO 0.05 0.22 -0.33 0.50 0.00 0.00 0.00 178.15 178.59 1cww h LYS 58 N 1.19 0.28 0.12 2.37 1.63 0.33 -2.73 116.57 119.76 1cww h LYS 58 Ca 0.37 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1cww h LYS 58 Cb -0.01 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1cww h LYS 58 CO -0.11 0.58 -0.06 0.52 -3.45 0.00 0.00 179.45 176.94 1cww h MET 59 N 0.25 -0.16 -0.80 1.90 2.86 0.15 -2.45 114.93 116.68 1cww h MET 59 Ca 0.03 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.81 1cww h MET 59 Cb 0.70 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 1cww h MET 59 CO 0.05 -0.05 0.53 0.82 1.06 0.00 0.00 176.91 179.32 1cww h ILE 60 N -0.23 0.87 -0.61 -1.22 5.03 -1.40 0.16 117.51 120.11 1cww h ILE 60 Ca -0.02 -0.22 0.06 0.00 -0.12 0.00 0.00 64.86 64.57 1cww h ILE 60 Cb 0.18 0.19 -0.04 0.00 -3.03 0.00 0.00 36.82 34.13 1cww h ILE 60 CO 0.03 0.11 0.41 0.25 -0.68 0.00 0.00 178.15 178.27 1cww h LEU 61 N 0.63 0.54 -3.83 1.44 6.46 -1.13 -1.49 115.31 117.93 1cww h LEU 61 Ca 0.39 0.00 -0.54 0.00 -0.12 0.00 0.00 57.88 57.61 1cww h LEU 61 Cb 0.63 -0.12 -0.29 0.00 -0.73 0.00 0.00 40.66 40.15 1cww h LEU 61 CO -0.15 0.36 0.30 0.29 -0.62 0.00 0.00 178.44 178.61 1cww n LYS 62 N -4.47 2.69 0.00 1.25 4.76 0.52 -4.93 118.16 117.97 1cww n LYS 62 Ca 0.08 -3.43 0.00 0.00 -2.87 0.00 0.00 58.31 52.09 1cww n LYS 62 Cb 0.22 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 1cww n LYS 62 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cww n LYS 63 N -0.94 2.91 -2.96 1.97 4.76 -0.56 -5.03 118.16 118.30 1cww n LYS 63 Ca 0.53 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.89 1cww n LYS 63 Cb 0.95 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 34.11 1cww n LYS 63 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cww n ASP 64 N 0.00 -0.46 -0.12 4.39 5.75 -1.26 -3.80 116.55 121.05 1cww n ASP 64 Ca 0.00 -2.01 -0.05 0.00 -0.01 0.00 0.00 54.79 52.72 1cww n ASP 64 Cb 0.00 0.96 0.03 0.00 -1.03 0.00 0.00 41.12 41.08 1cww n ASP 64 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1cww h ASN 65 N 0.98 -0.03 -0.30 -1.12 -0.73 -1.86 0.15 115.58 112.67 1cww h ASN 65 Ca -0.12 0.07 0.06 0.00 1.87 0.00 0.00 56.30 58.19 1cww h ASN 65 Cb 0.58 0.11 -0.06 0.00 0.27 0.00 0.00 38.32 39.21 1cww h ASN 65 CO 0.17 0.02 -0.12 -0.78 -0.37 0.00 0.00 177.43 176.35 1cww h ASP 66 N 0.18 -0.40 0.53 1.15 3.58 -1.96 0.26 116.42 119.75 1cww h ASP 66 Ca 0.19 0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.61 1cww h ASP 66 Cb 0.24 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1cww h ASP 66 CO -0.27 -0.15 -0.62 0.28 -2.88 0.00 0.00 179.24 175.61 1cww h SER 67 N -0.06 0.10 -0.45 2.28 0.02 -1.86 -2.36 113.55 111.22 1cww h SER 67 Ca 0.15 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1cww h SER 67 Cb 0.29 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1cww h SER 67 CO -0.35 0.69 -0.23 0.22 -1.14 0.00 0.00 176.83 176.03 1cww h TYR 68 N 0.06 1.12 0.00 3.45 3.20 0.12 0.49 116.97 125.42 1cww h TYR 68 Ca -0.01 -0.27 -0.08 0.00 3.14 0.00 0.00 58.73 61.51 1cww h TYR 68 Cb 1.11 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1cww h TYR 68 CO 0.01 1.09 -0.38 0.28 -1.64 0.00 0.00 178.16 177.52 1cww h VAL 69 N 0.84 1.09 0.01 1.81 2.07 -0.43 0.32 116.25 121.95 1cww h VAL 69 Ca 0.11 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1cww h VAL 69 Cb 0.80 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1cww h VAL 69 CO 0.07 0.37 -0.00 -1.28 0.02 0.00 0.00 177.57 176.75 1cww h SER 70 N 0.00 -0.01 -1.00 0.57 0.87 -0.83 0.24 113.55 113.38 1cww h SER 70 Ca -0.00 -0.51 0.07 0.00 -1.23 0.00 0.00 61.79 60.11 1cww h SER 70 Cb 0.76 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.65 1cww h SER 70 CO 0.05 0.51 0.65 0.15 -0.53 0.00 0.00 176.83 177.66 1cww h PHE 71 N -0.52 1.20 -0.26 2.24 3.57 0.29 0.11 116.94 123.57 1cww h PHE 71 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1cww h PHE 71 Cb 0.52 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1cww h PHE 71 CO 0.10 0.62 0.14 -0.92 -2.23 0.00 0.00 178.31 176.03 1cww h TYR 72 N 1.18 0.26 -0.95 0.41 3.20 -0.22 -2.19 116.97 118.66 1cww h TYR 72 Ca 0.43 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.36 1cww h TYR 72 Cb 0.17 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1cww h TYR 72 CO -0.00 0.15 0.62 -0.97 -1.64 0.00 0.00 178.16 176.32 1cww h ASN 73 N 0.29 1.01 -0.19 -2.11 -0.73 0.89 -1.56 115.58 113.19 1cww h ASN 73 Ca 0.10 -0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.22 1cww h ASN 73 Cb 0.01 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 1cww h ASN 73 CO -0.06 0.68 -0.02 0.00 -0.37 0.00 0.00 177.43 177.66 1cww h ALA 74 N 1.46 1.41 -0.15 1.57 0.00 -0.24 -1.24 119.26 122.08 1cww h ALA 74 Ca 0.39 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1cww h ALA 74 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1cww h ALA 74 CO -0.13 0.41 -0.20 -0.07 0.00 0.00 0.00 179.25 179.27 1cww h LEU 75 N 0.45 0.25 0.00 0.00 3.38 -0.80 -1.44 115.31 117.14 1cww h LEU 75 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1cww h LEU 75 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1cww h LEU 75 CO 0.01 0.46 -0.14 -0.07 0.09 0.00 0.00 178.44 178.79 1cww h LEU 76 N 0.24 0.00 -0.43 1.67 4.07 -1.09 -1.96 115.31 117.81 1cww h LEU 76 Ca 0.04 -0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.81 1cww h LEU 76 Cb 0.49 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1cww h LEU 76 CO 0.03 0.01 -0.78 -0.74 -1.08 0.00 0.00 178.44 175.88 1cww h HIS 77 N 0.00 0.14 -0.46 1.13 2.76 -0.17 -3.45 115.15 115.10 1cww h HIS 77 Ca 0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1cww h HIS 77 Cb 0.86 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1cww h HIS 77 CO 0.00 0.84 0.00 0.39 -1.30 0.00 0.00 177.93 177.86 1cww n GLU 78 N -3.68 3.46 -2.21 5.26 -0.58 -1.01 -5.04 120.64 116.85 1cww n GLU 78 Ca -0.02 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.39 1cww n GLU 78 Cb 0.74 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.63 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 5.77 2.57 0.62 0.00 -1.26 -4.67 105.19 113.22 1cww n GLY 79 Ca 0.00 -2.63 -0.12 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.51 1.88 0.29 1.61 4.02 -0.74 -4.84 117.16 118.86 1cww n TYR 80 Ca 0.46 -2.49 0.15 0.00 -0.01 0.00 0.00 57.90 56.01 1cww n TYR 80 Cb 0.45 -0.27 0.50 0.00 -0.02 0.00 0.00 39.34 40.00 1cww n TYR 80 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1cww h LYS 81 N 2.62 0.00 -0.06 -0.72 2.10 -1.82 -2.75 116.57 115.94 1cww h LYS 81 Ca 0.04 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.63 1cww h LYS 81 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1cww h LYS 81 CO 0.49 0.00 -0.20 -0.44 -2.00 0.00 0.00 179.45 177.30 1cww h ASP 82 N 0.00 0.28 -0.35 7.07 5.19 -1.92 0.60 116.42 127.30 1cww h ASP 82 Ca 0.00 -0.62 -0.02 0.00 -0.62 0.00 0.00 57.03 55.77 1cww h ASP 82 Cb 0.66 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1cww h ASP 82 CO 0.00 0.85 0.14 0.25 -3.12 0.00 0.00 179.24 177.37 1cww h LEU 83 N -0.27 0.47 -0.91 1.55 7.12 -1.95 -1.83 115.31 119.50 1cww h LEU 83 Ca -0.01 -0.16 0.06 0.00 0.13 0.00 0.00 57.88 57.90 1cww h LEU 83 Cb 0.83 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.78 1cww h LEU 83 CO 0.04 0.51 0.57 0.00 -0.13 0.00 0.00 178.44 179.43 1cww h ALA 84 N 0.99 1.24 -0.54 1.25 0.00 -1.49 -0.97 119.26 119.73 1cww h ALA 84 Ca 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1cww h ALA 84 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1cww h ALA 84 CO -0.01 0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.81 1cww h ALA 85 N 1.41 1.36 0.00 0.00 0.00 -0.42 0.30 119.26 121.90 1cww h ALA 85 Ca 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1cww h ALA 85 Cb 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1cww h ALA 85 CO -0.16 0.48 -0.05 -0.07 0.00 0.00 0.00 179.25 179.46 1cww h LEU 86 N 0.77 0.00 0.00 0.00 3.38 -0.36 -1.81 115.31 117.30 1cww h LEU 86 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1cww h LEU 86 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1cww h LEU 86 CO -0.02 0.05 -1.13 0.18 0.09 0.00 0.00 178.44 177.61 1cww n LEU 87 N -4.48 0.69 0.22 1.67 4.32 -0.14 -4.04 117.00 115.23 1cww n LEU 87 Ca -0.03 0.23 0.15 0.00 -0.02 0.00 0.00 56.01 56.35 1cww n LEU 87 Cb 0.13 -0.06 0.81 0.00 -1.62 0.00 0.00 43.42 42.67 1cww n LEU 87 CO 0.35 -0.13 0.96 -0.74 -1.22 0.00 0.00 177.39 176.61 1cww h HIS 88 N 0.00 0.00 -0.19 -1.77 2.76 0.42 -0.61 115.15 115.76 1cww h HIS 88 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1cww h HIS 88 Cb 0.95 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 1cww h HIS 88 CO 0.00 0.00 0.03 0.22 -1.30 0.00 0.00 177.93 176.88 1cww h ASP 89 N 0.00 0.24 0.00 3.26 3.58 -1.70 -2.50 116.42 119.30 1cww h ASP 89 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1cww h ASP 89 Cb 0.02 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1cww h ASP 89 CO 0.00 0.27 -1.26 0.61 -2.88 0.00 0.00 179.24 175.98 1cww n GLY 90 N -1.23 -0.89 3.57 -0.78 0.00 -0.25 -4.82 105.19 100.78 1cww n GLY 90 Ca -0.00 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.05 4.44 -0.22 -0.61 -1.09 -0.94 -4.43 121.20 115.30 1cww s ILE 91 Ca 0.03 0.83 0.22 0.00 -2.23 0.00 0.00 60.65 59.49 1cww s ILE 91 Cb 0.14 -4.45 0.25 0.00 -1.58 0.00 0.00 42.46 36.82 1cww s ILE 91 CO 0.83 -0.84 1.63 1.55 -1.23 0.00 0.00 174.94 176.87 1cww h PRO 92 N 9.07 0.00 -6.36 2.79 0.13 -1.90 -3.44 132.00 132.29 1cww h PRO 92 Ca -0.24 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.35 1cww h PRO 92 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1cww h PRO 92 CO 1.04 0.19 0.44 0.08 -0.23 0.00 0.00 178.00 179.52 1cww s VAL 93 N -3.24 4.83 -0.77 1.56 1.01 -1.26 -4.99 120.40 117.53 1cww s VAL 93 Ca 0.05 2.05 0.02 0.00 0.00 0.00 0.00 61.98 64.10 1cww s VAL 93 Cb 0.07 -4.31 0.19 0.00 0.00 0.00 0.00 36.38 32.32 1cww s VAL 93 CO 0.68 0.10 0.60 0.54 0.00 0.00 0.00 175.10 177.02 1cww s VAL 94 N 1.38 3.45 -0.94 2.92 0.11 -1.26 -5.02 120.40 121.04 1cww s VAL 94 Ca 0.51 -4.11 -0.24 0.00 -2.93 0.00 0.00 61.98 55.21 1cww s VAL 94 Cb -0.20 -3.21 -0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1cww s VAL 94 CO 0.24 -1.03 1.73 -0.44 -3.33 0.00 0.00 175.10 172.27 1cww s SER 95 N -0.94 5.73 -0.24 3.54 0.01 -1.26 -4.65 113.70 115.90 1cww s SER 95 Ca 0.26 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.57 1cww s SER 95 Cb -0.06 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.46 1cww s SER 95 CO -0.15 -2.21 -0.22 -0.24 0.41 0.00 0.00 173.24 170.84 1cww n SER 96 N 11.75 2.15 -0.21 2.44 2.88 -1.26 -5.15 113.62 126.22 1cww n SER 96 Ca 0.36 -0.09 0.15 0.00 -1.33 0.00 0.00 58.87 57.95 1cww n SER 96 Cb 0.49 -0.40 0.77 0.00 -0.75 0.00 0.00 64.21 64.32 1cww n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27