#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1czj n PHE 3 N 0.00 2.36 -4.48 -1.42 7.35 -1.26 -4.99 117.46 115.02 1czj n PHE 3 Ca 0.00 -0.15 -0.34 0.00 -0.76 0.00 0.00 57.45 56.20 1czj n PHE 3 Cb 0.00 -2.72 -0.12 0.00 0.35 0.00 0.00 39.48 36.99 1czj n PHE 3 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1czj s GLU 4 N 4.46 3.28 -0.11 -4.13 2.12 -1.26 -5.10 118.70 117.95 1czj s GLU 4 Ca 0.92 -0.52 -0.13 0.00 0.36 0.00 0.00 54.97 55.61 1czj s GLU 4 Cb -0.57 -2.79 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1czj s GLU 4 CO 0.47 0.44 0.30 0.42 -0.54 0.00 0.00 175.26 176.35 1czj s ILE 5 N -0.18 5.27 -0.24 -3.70 1.09 -1.26 -5.06 121.20 117.12 1czj s ILE 5 Ca 0.03 0.58 -0.27 0.00 -1.10 0.00 0.00 60.65 59.88 1czj s ILE 5 Cb -0.13 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.66 1czj s ILE 5 CO 0.02 0.47 0.97 -2.16 -0.10 0.00 0.00 174.94 174.14 1czj s PRO 6 N -0.14 4.22 0.03 2.79 0.04 -1.26 -4.96 135.00 135.71 1czj s PRO 6 Ca 0.18 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 62.21 1czj s PRO 6 Cb -0.14 -3.65 -0.11 0.00 0.04 0.00 0.00 34.50 30.64 1czj s PRO 6 CO 0.06 -0.61 1.30 1.49 0.04 0.00 0.00 177.00 179.28 1czj h GLU 7 N 7.58 -0.69 -5.87 4.56 4.57 -1.97 -3.43 114.58 119.32 1czj h GLU 7 Ca -0.20 0.05 -0.63 0.00 -1.18 0.00 0.00 59.36 57.39 1czj h GLU 7 Cb 1.07 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.76 1czj h GLU 7 CO 0.95 -0.46 -0.34 0.45 -1.18 0.00 0.00 179.01 178.43 1czj s SER 8 N -3.06 6.59 -0.06 1.04 0.15 -1.26 -1.53 113.70 115.58 1czj s SER 8 Ca -0.11 0.70 -0.02 0.00 0.70 0.00 0.00 55.95 57.22 1czj s SER 8 Cb 0.01 -2.15 0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1czj s SER 8 CO 0.32 0.33 0.06 -0.69 1.20 0.00 0.00 173.24 174.46 1czj s VAL 9 N -1.14 -0.10 -0.52 4.45 1.01 0.53 -4.98 120.40 119.66 1czj s VAL 9 Ca 0.22 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.36 1czj s VAL 9 Cb -0.14 -0.21 0.06 0.00 0.00 0.00 0.00 36.38 36.09 1czj s VAL 9 CO 0.11 0.13 0.65 0.42 0.00 0.00 0.00 175.10 176.41 1czj s THR 10 N 2.16 4.84 0.15 3.92 -4.23 -1.26 0.47 115.64 121.69 1czj s THR 10 Ca 0.05 -0.52 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 1czj s THR 10 Cb -0.12 -4.34 -0.07 0.00 1.34 0.00 0.00 72.50 69.31 1czj s THR 10 CO -0.04 -0.87 0.95 -0.04 -0.54 0.00 0.00 174.62 174.09 1czj s MET 11 N 2.71 4.75 0.02 3.99 -1.94 0.25 -4.92 119.30 124.16 1czj s MET 11 Ca 0.15 1.46 0.00 0.00 -1.71 0.00 0.00 55.69 55.60 1czj s MET 11 Cb -0.19 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.28 1czj s MET 11 CO 0.11 0.31 -0.04 0.45 -0.01 0.00 0.00 175.02 175.85 1czj s SER 12 N -0.37 0.34 0.06 3.03 0.15 -1.26 -1.32 113.70 114.33 1czj s SER 12 Ca 0.45 -0.46 0.24 0.00 0.70 0.00 0.00 55.95 56.89 1czj s SER 12 Cb -0.24 0.08 0.37 0.00 -1.71 0.00 0.00 66.02 64.51 1czj s SER 12 CO 0.31 -0.25 1.31 -0.81 1.20 0.00 0.00 173.24 175.00 1czj n PRO 13 N 1.74 0.17 0.00 5.44 -0.04 -1.26 -3.91 135.00 137.14 1czj n PRO 13 Ca -0.22 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.32 1czj n PRO 13 Cb 0.55 -1.59 0.24 0.00 -0.04 0.00 0.00 33.50 32.66 1czj n PRO 13 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1czj n LYS 14 N -1.84 0.14 -0.03 0.54 5.02 -1.26 -1.80 118.16 118.94 1czj n LYS 14 Ca 0.04 0.19 -0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1czj n LYS 14 Cb 0.40 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.19 1czj n LYS 14 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1czj h GLN 15 N 0.00 0.59 -5.65 1.97 4.15 -1.99 -3.37 115.11 110.80 1czj h GLN 15 Ca 0.00 -0.12 -0.61 0.00 0.77 0.00 0.00 58.65 58.69 1czj h GLN 15 Cb 0.08 -0.09 -0.13 0.00 0.21 0.00 0.00 27.48 27.55 1czj h GLN 15 CO 0.00 0.58 0.75 -0.06 -1.93 0.00 0.00 178.83 178.16 1czj s PHE 16 N -5.05 2.62 0.14 3.99 0.08 -0.74 -4.94 117.98 114.07 1czj s PHE 16 Ca -0.08 -0.53 -0.31 0.00 0.12 0.00 0.00 56.93 56.13 1czj s PHE 16 Cb 0.16 -4.39 -0.08 0.00 -0.57 0.00 0.00 43.02 38.13 1czj s PHE 16 CO 0.77 -1.75 1.56 0.93 -0.10 0.00 0.00 175.22 176.63 1czj h GLU 17 N 9.62 -0.40 -3.03 0.44 4.39 -1.87 -3.00 114.58 120.73 1czj h GLU 17 Ca -0.22 0.03 -0.68 0.00 0.34 0.00 0.00 59.36 58.83 1czj h GLU 17 Cb 1.06 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1czj h GLU 17 CO 1.21 -0.27 3.70 0.41 -1.16 0.00 0.00 179.01 182.91 1czj n GLY 18 N -1.40 4.34 3.51 -3.84 0.00 -1.26 -4.82 105.19 101.72 1czj n GLY 18 Ca -0.03 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 1czj n GLY 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1czj s TYR 19 N 1.95 -0.55 -0.27 1.61 5.04 -1.14 -5.08 117.35 118.90 1czj s TYR 19 Ca 0.67 0.80 0.03 0.00 -2.44 0.00 0.00 57.07 56.13 1czj s TYR 19 Cb 0.18 0.46 0.07 0.00 0.35 0.00 0.00 41.96 43.01 1czj s TYR 19 CO -0.06 -0.60 -0.08 -0.08 -1.34 0.00 0.00 175.55 173.39 1czj s THR 20 N -1.83 2.16 0.26 4.34 -1.32 -1.26 -4.99 115.64 113.01 1czj s THR 20 Ca -0.05 -1.75 -0.31 0.00 -1.21 0.00 0.00 61.69 58.36 1czj s THR 20 Cb -0.00 -2.34 -0.12 0.00 -1.51 0.00 0.00 72.50 68.53 1czj s THR 20 CO 0.02 -0.14 1.56 -0.81 -2.21 0.00 0.00 174.62 173.04 1czj n PRO 21 N 4.41 2.49 -0.01 7.08 -0.04 -1.26 -4.93 135.00 142.74 1czj n PRO 21 Ca -0.11 0.89 0.02 0.00 -0.04 0.00 0.00 63.50 64.26 1czj n PRO 21 Cb 0.42 -2.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.12 1czj n PRO 21 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1czj n LYS 22 N 2.40 0.65 -4.46 0.54 4.76 -1.26 -4.96 118.16 115.83 1czj n LYS 22 Ca 0.11 0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.36 1czj n LYS 22 Cb 0.35 -1.66 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 1czj n LYS 22 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1czj s LYS 23 N -3.02 1.64 0.88 1.97 2.47 -1.26 -5.15 119.74 117.27 1czj s LYS 23 Ca -0.06 -1.76 -0.12 0.00 -1.56 0.00 0.00 55.97 52.47 1czj s LYS 23 Cb 0.10 -1.65 0.12 0.00 -1.46 0.00 0.00 37.83 34.93 1czj s LYS 23 CO 0.84 0.29 1.13 0.20 0.16 0.00 0.00 175.35 177.97 1czj s GLY 24 N -3.49 1.58 0.83 5.54 0.00 -1.26 -4.95 107.32 105.57 1czj s GLY 24 Ca 0.29 -0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 1czj s GLY 24 CO 0.14 0.05 1.17 0.99 0.00 0.00 0.00 173.10 175.45 1czj s ASP 25 N -4.06 3.55 -0.09 1.64 1.01 -1.26 -4.41 116.67 113.05 1czj s ASP 25 Ca 0.63 2.24 0.02 0.00 0.71 0.00 0.00 52.55 56.16 1czj s ASP 25 Cb -0.14 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 1czj s ASP 25 CO 0.53 -2.69 -0.16 -0.69 0.21 0.00 0.00 175.17 172.37 1czj s VAL 26 N -2.38 2.85 -0.29 -1.27 1.01 -0.43 -0.92 120.40 118.97 1czj s VAL 26 Ca 0.70 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1czj s VAL 26 Cb -0.25 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1czj s VAL 26 CO 0.53 0.56 0.10 -0.89 0.00 0.00 0.00 175.10 175.40 1czj s THR 27 N -0.11 4.30 -0.15 3.92 2.01 -1.26 0.86 115.64 125.21 1czj s THR 27 Ca -0.02 -0.45 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 1czj s THR 27 Cb -0.14 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 1czj s THR 27 CO 0.04 0.14 0.17 0.12 -0.69 0.00 0.00 174.62 174.40 1czj s PHE 28 N 1.57 3.52 -0.14 4.92 5.36 0.18 -4.92 117.98 128.46 1czj s PHE 28 Ca 0.04 0.48 0.02 0.00 -0.96 0.00 0.00 56.93 56.52 1czj s PHE 28 Cb -0.17 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1czj s PHE 28 CO 0.04 0.50 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.30 1czj s ASN 29 N -0.33 3.00 0.23 6.13 0.01 -1.26 -0.35 114.94 122.38 1czj s ASN 29 Ca 0.13 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.71 1czj s ASN 29 Cb -0.12 -1.39 0.25 0.00 0.41 0.00 0.00 41.25 40.40 1czj s ASN 29 CO 0.02 0.05 1.59 0.45 -1.51 0.00 0.00 177.10 177.70 1czj h HIS 30 N 7.47 0.51 -0.59 2.20 3.86 -1.54 -3.31 115.15 123.74 1czj h HIS 30 Ca -0.35 -0.16 0.12 0.00 -1.16 0.00 0.00 60.37 58.82 1czj h HIS 30 Cb 1.18 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 29.45 1czj h HIS 30 CO 0.47 0.83 0.05 0.00 0.86 0.00 0.00 177.93 180.13 1czj h ALA 31 N 1.15 0.63 0.00 2.45 0.00 -1.95 0.24 119.26 121.78 1czj h ALA 31 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1czj h ALA 31 Cb 0.98 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1czj h ALA 31 CO 0.09 -0.37 0.00 -1.13 0.00 0.00 0.00 179.25 177.84 1czj n SER 32 N -5.22 0.55 -0.50 0.00 3.41 -1.25 -2.72 113.62 107.88 1czj n SER 32 Ca 0.09 0.62 0.05 0.00 -0.26 0.00 0.00 58.87 59.36 1czj n SER 32 Cb 0.34 -0.74 0.11 0.00 -0.26 0.00 0.00 64.21 63.66 1czj n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1czj n HIS 33 N -2.08 0.33 0.32 7.33 8.25 0.56 -4.73 115.22 125.20 1czj n HIS 33 Ca 0.03 -0.44 0.19 0.00 -0.26 0.00 0.00 57.72 57.24 1czj n HIS 33 Cb 0.25 -0.03 1.03 0.00 1.12 0.00 0.00 29.99 32.37 1czj n HIS 33 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1czj h MET 34 N 1.67 0.00 -0.00 -0.41 4.05 -0.55 -1.45 114.93 118.24 1czj h MET 34 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1czj h MET 34 Cb 0.65 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1czj h MET 34 CO 0.00 0.00 -0.13 -0.25 0.23 0.00 0.00 176.91 176.76 1czj n ASP 35 N -2.94 0.28 -4.82 1.39 8.00 -1.26 -4.81 116.55 112.39 1czj n ASP 35 Ca -0.03 -0.18 -0.37 0.00 0.71 0.00 0.00 54.79 54.93 1czj n ASP 35 Cb 0.18 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1czj n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1czj s ILE 36 N -2.71 5.22 0.19 0.53 1.01 -0.55 -5.03 121.20 119.86 1czj s ILE 36 Ca 0.22 0.61 -0.33 0.00 0.00 0.00 0.00 60.65 61.15 1czj s ILE 36 Cb 0.19 -3.61 -0.14 0.00 0.01 0.00 0.00 42.46 38.91 1czj s ILE 36 CO 0.52 0.54 1.45 0.00 0.00 0.00 0.00 174.94 177.46 1czj n ALA 37 N 2.28 0.88 -0.08 9.38 0.00 -1.26 -4.90 120.51 126.81 1czj n ALA 37 Ca -0.15 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 53.66 1czj n ALA 37 Cb 0.53 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.71 1czj n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1czj n GLN 39 N -5.36 0.02 -0.13 0.00 0.00 -1.26 -1.55 117.38 109.10 1czj n GLN 39 Ca 0.01 0.32 -0.11 0.00 0.00 0.00 0.00 57.00 57.21 1czj n GLN 39 Cb 0.27 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.99 1czj n GLN 39 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 1czj h GLN 40 N 0.00 0.74 0.00 2.61 4.15 -1.52 -2.71 115.11 118.38 1czj h GLN 40 Ca 0.00 -0.30 -0.15 0.00 0.77 0.00 0.00 58.65 58.98 1czj h GLN 40 Cb 0.16 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1czj h GLN 40 CO 0.00 0.90 -0.81 0.00 -1.93 0.00 0.00 178.83 176.99 1czj n HIS 42 N -4.50 2.82 0.29 0.00 8.25 -0.60 -4.74 115.22 116.74 1czj n HIS 42 Ca -0.24 -2.98 0.06 0.00 -0.26 0.00 0.00 57.72 54.31 1czj n HIS 42 Cb 0.59 -2.32 0.28 0.00 1.12 0.00 0.00 29.99 29.66 1czj n HIS 42 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1czj n HIS 43 N 3.95 0.23 -0.70 4.41 -0.00 -1.02 -2.82 115.22 119.27 1czj n HIS 43 Ca 0.64 0.10 0.09 0.00 -0.00 0.00 0.00 57.72 58.55 1czj n HIS 43 Cb 0.29 -0.66 0.36 0.00 -0.00 0.00 0.00 29.99 29.98 1czj n HIS 43 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1czj n THR 44 N -1.72 2.06 -0.32 0.61 -2.24 -1.26 -4.54 114.28 106.87 1czj n THR 44 Ca 0.02 -1.28 -0.01 0.00 -2.27 0.00 0.00 64.05 60.51 1czj n THR 44 Cb 0.11 0.03 0.12 0.00 -2.10 0.00 0.00 70.33 68.49 1czj n THR 44 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1czj h VAL 45 N 3.93 1.12 0.00 2.28 2.07 -1.74 -1.09 116.25 122.82 1czj h VAL 45 Ca 0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1czj h VAL 45 Cb 1.57 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1czj h VAL 45 CO 0.29 0.19 -0.10 -0.65 0.02 0.00 0.00 177.57 177.32 1czj h PRO 46 N 1.07 0.00 -0.07 1.57 0.11 -1.88 0.38 132.00 133.18 1czj h PRO 46 Ca 0.36 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.26 1czj h PRO 46 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1czj h PRO 46 CO -0.13 0.10 -0.82 -0.44 -0.21 0.00 0.00 178.00 176.50 1czj h ASP 47 N 0.00 0.62 0.00 -2.05 3.32 -1.53 -3.39 116.42 113.39 1czj h ASP 47 Ca -0.00 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1czj h ASP 47 Cb 0.25 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1czj h ASP 47 CO 0.01 1.21 -0.04 0.35 -1.72 0.00 0.00 179.24 179.05 1czj n THR 48 N -3.83 0.00 -3.74 0.35 -2.24 -1.11 -5.03 114.28 98.69 1czj n THR 48 Ca -0.06 -0.35 -0.27 0.00 -2.27 0.00 0.00 64.05 61.11 1czj n THR 48 Cb 0.76 0.96 0.06 0.00 -2.10 0.00 0.00 70.33 70.01 1czj n THR 48 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1czj n TYR 49 N -0.76 -2.59 -3.79 4.78 4.02 0.13 -4.98 117.16 113.97 1czj n TYR 49 Ca 0.00 0.96 -0.09 0.00 -0.01 0.00 0.00 57.90 58.76 1czj n TYR 49 Cb 0.00 -4.56 -0.06 0.00 -0.02 0.00 0.00 39.34 34.70 1czj n TYR 49 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1czj s THR 50 N -3.32 0.12 -0.21 -0.72 -4.23 -1.26 -5.10 115.64 100.92 1czj s THR 50 Ca 0.59 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1czj s THR 50 Cb -0.28 -1.28 -0.00 0.00 1.34 0.00 0.00 72.50 72.27 1czj s THR 50 CO 0.78 -0.55 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.61 1czj s ILE 51 N -3.84 3.12 0.25 2.99 1.01 -1.26 -4.44 121.20 119.02 1czj s ILE 51 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1czj s ILE 51 Cb 0.04 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1czj s ILE 51 CO -0.11 0.45 0.06 -1.83 0.00 0.00 0.00 174.94 173.51 1czj s GLU 52 N 1.39 1.38 0.37 2.79 -1.05 -1.26 -5.13 118.70 117.19 1czj s GLU 52 Ca 0.05 -1.73 -0.27 0.00 -0.15 0.00 0.00 54.97 52.87 1czj s GLU 52 Cb -0.14 -0.38 -0.12 0.00 -0.44 0.00 0.00 34.13 33.05 1czj s GLU 52 CO -0.05 -0.23 1.18 0.45 0.95 0.00 0.00 175.26 177.57 1czj n SER 53 N -0.45 2.17 0.15 0.83 2.88 -1.26 -4.89 113.62 113.06 1czj n SER 53 Ca -0.02 1.14 0.01 0.00 -1.33 0.00 0.00 58.87 58.67 1czj n SER 53 Cb 0.65 -1.43 0.33 0.00 -0.75 0.00 0.00 64.21 63.01 1czj n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1czj n MET 55 N -4.12 1.83 -2.22 0.00 2.81 -1.26 -1.81 117.12 112.35 1czj n MET 55 Ca -0.02 -1.84 -0.32 0.00 -1.81 0.00 0.00 57.70 53.72 1czj n MET 55 Cb 0.40 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.17 1czj n MET 55 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1czj s THR 56 N -2.25 4.54 -0.04 2.03 -4.23 -1.16 -4.54 115.64 109.99 1czj s THR 56 Ca 0.35 1.09 -0.34 0.00 -1.18 0.00 0.00 61.69 61.62 1czj s THR 56 Cb 0.29 -3.74 -0.12 0.00 1.34 0.00 0.00 72.50 70.27 1czj s THR 56 CO 0.04 -0.81 1.82 1.21 -0.54 0.00 0.00 174.62 176.34 1czj n GLU 57 N -1.96 2.17 0.00 3.99 2.13 -1.26 -0.60 120.64 125.11 1czj n GLU 57 Ca 0.07 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1czj n GLU 57 Cb 0.54 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.63 1czj n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1czj n GLY 58 N 4.20 1.01 0.00 8.31 0.00 -1.26 -4.99 105.19 112.46 1czj n GLY 58 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1czj n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1czj n HIS 60 N 0.00 2.60 0.06 0.00 8.25 -0.75 -4.63 115.22 120.75 1czj n HIS 60 Ca 0.00 -2.63 0.07 0.00 -0.26 0.00 0.00 57.72 54.89 1czj n HIS 60 Cb 0.00 -1.19 0.14 0.00 1.12 0.00 0.00 29.99 30.07 1czj n HIS 60 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1czj n ASP 61 N 0.51 2.79 -4.60 0.41 5.75 -1.07 -4.23 116.55 116.11 1czj n ASP 61 Ca 0.38 -1.85 -0.43 0.00 -0.01 0.00 0.00 54.79 52.88 1czj n ASP 61 Cb 0.30 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1czj n ASP 61 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1czj s ASN 62 N -1.05 6.65 -0.05 -1.12 2.47 0.21 -4.86 114.94 117.19 1czj s ASN 62 Ca 0.24 0.48 0.20 0.00 0.42 0.00 0.00 52.86 54.20 1czj s ASN 62 Cb 0.14 -2.52 -0.30 0.00 -1.45 0.00 0.00 41.25 37.11 1czj s ASN 62 CO 0.19 -1.14 0.39 0.00 -3.72 0.00 0.00 177.10 172.82 1czj n ILE 63 N 6.59 0.15 0.06 -5.21 0.13 -1.26 -1.31 119.36 118.50 1czj n ILE 63 Ca 0.11 -0.49 -0.21 0.00 -1.10 0.00 0.00 62.75 61.06 1czj n ILE 63 Cb 0.49 -0.02 -0.12 0.00 -0.84 0.00 0.00 39.64 39.14 1czj n ILE 63 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 1czj h LYS 64 N 0.00 0.55 -6.56 9.51 5.09 -1.98 -3.45 116.57 119.73 1czj h LYS 64 Ca -0.06 -0.70 -0.48 0.00 0.09 0.00 0.00 60.65 59.51 1czj h LYS 64 Cb 1.05 0.22 0.01 0.00 0.10 0.00 0.00 32.23 33.61 1czj h LYS 64 CO 0.00 1.29 -0.16 -1.21 -2.09 0.00 0.00 179.45 177.29 1czj s GLU 65 N -3.02 3.50 0.00 0.07 0.41 -1.26 -5.04 118.70 113.36 1czj s GLU 65 Ca -0.11 -0.25 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 1czj s GLU 65 Cb 0.05 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1czj s GLU 65 CO 0.89 0.12 0.00 -2.13 -0.49 0.00 0.00 175.26 173.65 1czj n ARG 66 N -1.76 2.76 0.04 1.61 0.63 -1.26 -4.65 116.66 114.02 1czj n ARG 66 Ca -0.04 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.02 1czj n ARG 66 Cb 0.56 -0.95 0.41 0.00 0.45 0.00 0.00 32.46 32.93 1czj n ARG 66 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1czj n THR 67 N -1.98 0.21 -2.60 5.15 -1.04 -1.26 -3.49 114.28 109.28 1czj n THR 67 Ca 0.00 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.55 1czj n THR 67 Cb 0.45 -0.30 -0.04 0.00 -1.82 0.00 0.00 70.33 68.61 1czj n THR 67 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1czj s GLU 68 N -3.05 3.99 0.55 -2.82 2.02 -1.26 -4.94 118.70 113.19 1czj s GLU 68 Ca 0.11 1.36 0.24 0.00 0.02 0.00 0.00 54.97 56.70 1czj s GLU 68 Cb 0.16 -2.25 1.50 0.00 0.10 0.00 0.00 34.13 33.64 1czj s GLU 68 CO 0.61 -0.27 2.13 0.82 0.02 0.00 0.00 175.26 178.58 1czj h ILE 69 N 1.81 0.73 -0.00 -1.63 2.04 -1.99 0.22 117.51 118.69 1czj h ILE 69 Ca -0.49 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1czj h ILE 69 Cb 1.21 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1czj h ILE 69 CO 0.60 0.00 -0.05 -1.54 0.00 0.00 0.00 178.15 177.16 1czj n SER 70 N -4.19 0.11 -4.74 1.72 3.41 -1.26 -4.67 113.62 104.01 1czj n SER 70 Ca 0.00 -0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 1czj n SER 70 Cb 0.24 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1czj n SER 70 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1czj s SER 71 N -2.71 7.05 0.30 4.04 0.01 0.77 -0.62 113.70 122.54 1czj s SER 71 Ca 0.23 2.25 -0.02 0.00 1.31 0.00 0.00 55.95 59.72 1czj s SER 71 Cb 0.20 -2.60 0.44 0.00 0.21 0.00 0.00 66.02 64.26 1czj s SER 71 CO 0.50 -0.41 1.94 0.58 0.41 0.00 0.00 173.24 176.25 1czj h VAL 72 N 3.81 1.21 0.33 3.43 2.07 -1.41 -2.69 116.25 123.00 1czj h VAL 72 Ca -0.44 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1czj h VAL 72 Cb 1.21 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1czj h VAL 72 CO 0.76 0.23 -0.16 0.22 0.02 0.00 0.00 177.57 178.64 1czj h TYR 73 N 1.04 -0.40 -0.09 1.57 3.20 -1.83 -3.12 116.97 117.34 1czj h TYR 73 Ca 0.27 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.17 1czj h TYR 73 Cb -0.03 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1czj h TYR 73 CO 0.00 -0.06 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.15 1czj h ARG 74 N -0.84 -0.29 -0.78 1.82 2.43 -1.59 -2.44 114.38 112.69 1czj h ARG 74 Ca -0.04 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.33 1czj h ARG 74 Cb 0.52 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.00 1czj h ARG 74 CO 0.07 -0.19 0.02 1.15 -1.51 0.00 0.00 179.97 179.51 1czj h THR 75 N -0.30 0.31 -0.01 0.20 2.02 -1.55 0.15 112.91 113.73 1czj h THR 75 Ca 0.09 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1czj h THR 75 Cb 0.43 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1czj h THR 75 CO -0.26 0.02 -0.52 0.49 0.37 0.00 0.00 175.52 175.62 1czj n PHE 76 N -5.35 0.00 -0.06 3.16 3.72 -1.17 -4.43 117.46 113.33 1czj n PHE 76 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1czj n PHE 76 Cb 0.50 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1czj n PHE 76 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1czj n HIS 77 N -0.63 0.00 -1.98 1.38 8.25 -0.93 -2.68 115.22 118.63 1czj n HIS 77 Ca 0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 1czj n HIS 77 Cb 0.40 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 1czj n HIS 77 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1czj s THR 78 N -0.56 2.44 -2.42 1.59 -1.32 0.49 -4.53 115.64 111.33 1czj s THR 78 Ca 0.00 0.41 0.21 0.00 -1.21 0.00 0.00 61.69 61.11 1czj s THR 78 Cb 0.00 -3.25 0.31 0.00 -1.51 0.00 0.00 72.50 68.05 1czj s THR 78 CO 0.00 0.08 1.29 0.35 -2.21 0.00 0.00 174.62 174.13 1czj n THR 79 N 0.26 0.33 1.53 5.08 -2.24 -1.26 -2.59 114.28 115.40 1czj n THR 79 Ca 0.03 -0.67 0.15 0.00 -2.27 0.00 0.00 64.05 61.29 1czj n THR 79 Cb 0.42 1.14 0.79 0.00 -2.10 0.00 0.00 70.33 70.58 1czj n THR 79 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1czj n LYS 80 N 1.31 0.55 -3.86 -0.78 4.76 -1.26 -4.61 118.16 114.27 1czj n LYS 80 Ca 0.16 -0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.39 1czj n LYS 80 Cb 0.56 -1.50 -0.17 0.00 -1.84 0.00 0.00 35.03 32.08 1czj n LYS 80 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1czj s ASP 81 N -2.46 0.95 0.00 4.39 -1.08 -1.26 -5.03 116.67 112.19 1czj s ASP 81 Ca 0.32 -0.04 0.14 0.00 -0.52 0.00 0.00 52.55 52.45 1czj s ASP 81 Cb 0.21 -0.30 0.19 0.00 -1.46 0.00 0.00 42.92 41.55 1czj s ASP 81 CO 0.44 -0.15 1.04 -1.54 0.52 0.00 0.00 175.17 175.49 1czj n SER 82 N 4.63 2.43 -0.10 -0.34 3.41 -1.26 -4.04 113.62 118.34 1czj n SER 82 Ca -0.17 -1.69 -0.23 0.00 -0.26 0.00 0.00 58.87 56.52 1czj n SER 82 Cb 0.50 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 1czj n SER 82 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1czj n GLU 83 N 0.76 0.60 0.00 4.33 1.02 -1.26 -4.02 120.64 122.07 1czj n GLU 83 Ca 0.10 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1czj n GLU 83 Cb 0.38 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1czj n GLU 83 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1czj n LYS 84 N -4.26 0.02 -3.11 3.49 2.85 -1.26 -4.70 118.16 111.19 1czj n LYS 84 Ca -0.36 -0.64 -0.39 0.00 -1.05 0.00 0.00 58.31 55.87 1czj n LYS 84 Cb 0.77 -0.91 -0.05 0.00 -0.65 0.00 0.00 35.03 34.19 1czj n LYS 84 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1czj s SER 85 N -0.21 6.94 0.05 -5.58 0.15 -1.26 -4.94 113.70 108.85 1czj s SER 85 Ca 0.00 1.13 -0.20 0.00 0.70 0.00 0.00 55.95 57.58 1czj s SER 85 Cb 0.00 -2.39 -0.09 0.00 -1.71 0.00 0.00 66.02 61.83 1czj s SER 85 CO 0.00 -0.07 1.31 0.00 1.20 0.00 0.00 173.24 175.68 1czj h VAL 87 N -0.54 1.22 -0.50 0.00 -1.51 -1.78 -2.03 116.25 111.10 1czj h VAL 87 Ca -0.03 -1.56 0.05 0.00 -1.23 0.00 0.00 66.70 63.93 1czj h VAL 87 Cb 0.48 1.86 -0.05 0.00 -2.13 0.00 0.00 31.29 31.45 1czj h VAL 87 CO -0.05 0.43 0.25 1.23 -1.23 0.00 0.00 177.57 178.19 1czj h GLY 88 N 1.51 0.70 0.61 5.19 0.00 -1.21 -0.39 103.07 109.48 1czj h GLY 88 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1czj h GLY 88 CO 0.06 0.10 -0.43 0.00 0.00 0.00 0.00 176.54 176.27 1czj h HIS 90 N -0.31 0.93 -0.39 0.00 3.86 -1.21 -0.47 115.15 117.56 1czj h HIS 90 Ca -0.05 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 1czj h HIS 90 Cb 1.17 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1czj h HIS 90 CO 0.17 0.33 -0.27 -0.09 0.86 0.00 0.00 177.93 178.92 1czj h ARG 91 N 0.77 0.87 -0.34 2.45 9.65 -1.14 -3.08 114.38 123.56 1czj h ARG 91 Ca 0.48 -0.42 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1czj h ARG 91 Cb 0.71 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 1czj h ARG 91 CO -0.25 1.06 0.03 1.49 2.80 0.00 0.00 179.97 185.10 1czj h GLU 92 N 0.68 0.52 -0.64 0.20 4.57 -1.00 -2.55 114.58 116.36 1czj h GLU 92 Ca 0.08 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1czj h GLU 92 Cb 0.85 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1czj h GLU 92 CO 0.07 0.53 0.32 -0.07 -1.18 0.00 0.00 179.01 178.68 1czj h LEU 93 N 0.50 0.81 -1.66 1.64 3.38 -1.12 -2.26 115.31 116.59 1czj h LEU 93 Ca 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1czj h LEU 93 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1czj h LEU 93 CO 0.01 0.68 -0.17 0.11 0.09 0.00 0.00 178.44 179.15 1czj h LYS 94 N 0.90 0.00 0.00 1.13 1.57 -1.48 -0.50 116.57 118.20 1czj h LYS 94 Ca 0.23 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1czj h LYS 94 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1czj h LYS 94 CO -0.03 0.17 -0.24 0.00 -0.57 0.00 0.00 179.45 178.78 1czj h ARG 95 N 0.00 0.00 -0.01 3.15 3.08 -1.45 -2.86 114.38 116.30 1czj h ARG 95 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1czj h ARG 95 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1czj h ARG 95 CO 0.02 0.24 -0.12 1.04 -1.07 0.00 0.00 179.97 180.08 1czj n GLN 96 N -3.33 1.00 0.00 0.04 6.02 -0.22 -5.02 117.38 115.87 1czj n GLN 96 Ca 0.01 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.52 1czj n GLN 96 Cb 0.48 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1czj n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1czj n GLY 97 N 1.25 2.76 3.67 1.08 0.00 -1.07 -5.08 105.19 107.80 1czj n GLY 97 Ca 0.16 -1.79 -0.54 0.00 0.00 0.00 0.00 46.02 43.85 1czj n GLY 97 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1czj n PRO 98 N -1.96 1.40 -4.08 1.61 -0.02 -1.26 -4.06 135.00 126.63 1czj n PRO 98 Ca 0.00 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 1czj n PRO 98 Cb 0.00 -2.22 -0.12 0.00 -0.02 0.00 0.00 33.50 31.14 1czj n PRO 98 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1czj s SER 99 N 2.61 0.86 0.00 2.55 0.15 -1.26 -4.97 113.70 113.64 1czj s SER 99 Ca 0.92 -0.49 0.17 0.00 0.70 0.00 0.00 55.95 57.25 1czj s SER 99 Cb -0.95 0.02 0.28 0.00 -1.71 0.00 0.00 66.02 63.66 1czj s SER 99 CO 0.56 -0.16 1.19 0.47 1.20 0.00 0.00 173.24 176.50 1czj n ASP 100 N 1.65 2.85 -4.64 5.45 9.92 -1.26 -4.94 116.55 125.58 1czj n ASP 100 Ca -0.21 -1.83 -0.42 0.00 -0.53 0.00 0.00 54.79 51.79 1czj n ASP 100 Cb 0.55 -0.15 -0.03 0.00 -0.64 0.00 0.00 41.12 40.85 1czj n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1czj s ALA 101 N -1.24 3.29 0.23 2.24 0.00 -1.26 -4.88 121.76 120.14 1czj s ALA 101 Ca 0.27 1.12 -0.31 0.00 0.00 0.00 0.00 51.96 53.03 1czj s ALA 101 Cb 0.16 -3.92 -0.14 0.00 0.00 0.00 0.00 23.12 19.22 1czj s ALA 101 CO 0.23 -1.99 1.29 -0.35 0.00 0.00 0.00 175.76 174.94 1czj n PRO 102 N 7.94 1.72 0.00 0.00 -0.04 -1.26 -4.84 135.00 138.53 1czj n PRO 102 Ca 0.23 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1czj n PRO 102 Cb 0.42 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1czj n PRO 102 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1czj n LEU 103 N 1.92 0.50 -4.75 1.53 4.77 -1.26 -4.85 117.00 114.86 1czj n LEU 103 Ca 0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 1czj n LEU 103 Cb 0.30 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1czj n LEU 103 CO 0.62 0.08 1.24 0.00 -1.33 0.00 0.00 177.39 178.00 1czj s ALA 104 N -1.93 3.73 0.16 -1.18 0.00 -1.26 -4.91 121.76 116.37 1czj s ALA 104 Ca 0.00 1.57 -0.21 0.00 0.00 0.00 0.00 51.96 53.33 1czj s ALA 104 Cb 0.00 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.53 1czj s ALA 104 CO 0.00 -0.99 1.63 0.00 0.00 0.00 0.00 175.76 176.40 1czj n ASN 106 N -5.37 0.00 0.00 0.00 4.13 -1.26 -1.04 115.26 111.72 1czj n ASN 106 Ca 0.00 -1.53 0.10 0.00 1.68 0.00 0.00 54.58 54.84 1czj n ASN 106 Cb 0.28 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.43 1czj n ASN 106 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1czj n SER 107 N -0.59 0.71 -0.06 6.41 7.64 -0.46 -4.48 113.62 122.80 1czj n SER 107 Ca 0.04 -0.65 -0.12 0.00 1.01 0.00 0.00 58.87 59.14 1czj n SER 107 Cb 0.02 1.15 -0.04 0.00 -1.01 0.00 0.00 64.21 64.33 1czj n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1czj s HIS 109 N -2.21 3.16 0.00 0.00 4.02 -0.21 -4.14 115.29 115.91 1czj s HIS 109 Ca -0.16 0.96 0.00 0.00 1.02 0.00 0.00 55.06 56.88 1czj s HIS 109 Cb 0.06 -3.50 0.00 0.00 -1.02 0.00 0.00 32.58 28.13 1czj s HIS 109 CO 0.20 -0.70 0.00 1.55 1.02 0.00 0.00 174.74 176.82 1czj n VAL 110 N 5.76 0.00 1.19 -0.90 3.14 -0.10 -4.37 118.33 123.04 1czj n VAL 110 Ca 0.08 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.59 1czj n VAL 110 Cb 0.48 -0.68 0.26 0.00 -1.06 0.00 0.00 33.84 32.83 1czj n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37