#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cxy s LEU 7 N 0.00 4.37 0.64 1.09 1.43 -1.26 -4.98 118.68 119.97 1cxy s LEU 7 Ca 0.00 2.67 -0.18 0.00 -1.03 0.00 0.00 54.13 55.59 1cxy s LEU 7 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1cxy s LEU 7 CO 0.00 -0.80 0.99 -2.65 0.23 0.00 0.00 176.35 174.12 1cxy n PRO 8 N 3.31 0.79 -4.79 1.29 -0.02 -1.26 -4.69 135.00 129.63 1cxy n PRO 8 Ca 0.11 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.58 1cxy n PRO 8 Cb 0.39 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 1cxy n PRO 8 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cxy s VAL 9 N -1.58 3.11 0.33 -1.45 1.01 -1.26 -0.95 120.40 119.60 1cxy s VAL 9 Ca 0.76 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1cxy s VAL 9 Cb -0.39 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1cxy s VAL 9 CO 0.47 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.66 1cxy s PHE 10 N 0.04 2.33 0.40 5.22 0.40 0.09 -4.96 117.98 121.50 1cxy s PHE 10 Ca -0.04 -0.53 0.08 0.00 -0.60 0.00 0.00 56.93 55.83 1cxy s PHE 10 Cb -0.14 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 1cxy s PHE 10 CO 0.04 0.54 0.35 0.95 0.70 0.00 0.00 175.22 177.80 1cxy s THR 11 N -2.67 2.82 0.45 0.64 -4.23 -1.26 -4.35 115.64 107.03 1cxy s THR 11 Ca 0.32 -1.37 0.15 0.00 -1.18 0.00 0.00 61.69 59.61 1cxy s THR 11 Cb 0.03 -3.03 0.19 0.00 1.34 0.00 0.00 72.50 71.02 1cxy s THR 11 CO 0.16 -0.04 2.00 -0.07 -0.54 0.00 0.00 174.62 176.13 1cxy h LEU 12 N 1.10 0.00 -0.87 4.79 3.38 -1.98 -2.05 115.31 119.68 1cxy h LEU 12 Ca -0.42 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1cxy h LEU 12 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1cxy h LEU 12 CO 0.58 0.17 0.08 -0.33 0.09 0.00 0.00 178.44 179.03 1cxy h GLU 13 N 0.00 0.92 -0.24 1.13 3.07 -1.95 -1.07 114.58 116.43 1cxy h GLU 13 Ca -0.00 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 58.55 1cxy h GLU 13 Cb 0.31 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1cxy h GLU 13 CO 0.02 0.86 -0.18 1.96 -1.40 0.00 0.00 179.01 180.27 1cxy h GLN 14 N 0.86 0.55 -0.77 2.33 4.20 -1.82 -3.00 115.11 117.46 1cxy h GLN 14 Ca 0.18 -0.27 0.07 0.00 0.06 0.00 0.00 58.65 58.69 1cxy h GLN 14 Cb 0.40 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1cxy h GLN 14 CO 0.01 0.84 0.51 0.28 -0.67 0.00 0.00 178.83 179.80 1cxy h VAL 15 N 0.26 1.01 0.00 -0.54 2.07 -1.16 -1.81 116.25 116.08 1cxy h VAL 15 Ca 0.05 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1cxy h VAL 15 Cb 0.71 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1cxy h VAL 15 CO 0.05 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1cxy h ALA 16 N 1.59 1.00 0.00 1.67 0.00 -1.05 -1.72 119.26 120.75 1cxy h ALA 16 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1cxy h ALA 16 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1cxy h ALA 16 CO -0.12 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.52 1cxy n GLU 17 N -2.34 0.21 -3.55 0.00 -0.58 -0.68 -4.01 120.64 109.68 1cxy n GLU 17 Ca 0.01 0.28 -0.33 0.00 -0.42 0.00 0.00 57.16 56.70 1cxy n GLU 17 Cb 0.17 -1.79 -0.07 0.00 -0.57 0.00 0.00 31.44 29.18 1cxy n GLU 17 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1cxy n HIS 18 N -2.17 3.64 -1.45 -0.32 8.25 -0.65 -4.86 115.22 117.67 1cxy n HIS 18 Ca 0.04 -3.98 0.07 0.00 -0.26 0.00 0.00 57.72 53.59 1cxy n HIS 18 Cb 0.34 -0.90 0.17 0.00 1.12 0.00 0.00 29.99 30.72 1cxy n HIS 18 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1cxy n HIS 19 N 1.71 0.00 -4.40 4.41 1.44 -0.97 -1.49 115.22 115.92 1cxy n HIS 19 Ca 0.24 -1.23 -0.20 0.00 -2.01 0.00 0.00 57.72 54.52 1cxy n HIS 19 Cb 0.37 -0.20 -0.10 0.00 0.12 0.00 0.00 29.99 30.17 1cxy n HIS 19 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1cxy s SER 20 N -3.00 2.23 0.44 4.39 1.04 -0.80 -4.66 113.70 113.33 1cxy s SER 20 Ca 0.35 -1.29 0.12 0.00 0.48 0.00 0.00 55.95 55.60 1cxy s SER 20 Cb 0.33 -0.06 1.00 0.00 0.10 0.00 0.00 66.02 67.39 1cxy s SER 20 CO -0.03 -0.53 2.04 -0.65 0.98 0.00 0.00 173.24 175.04 1cxy h PRO 21 N 2.27 0.39 -0.36 4.02 0.11 -1.96 -0.73 132.00 135.74 1cxy h PRO 21 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1cxy h PRO 21 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1cxy h PRO 21 CO 0.67 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 1cxy n ASP 22 N -4.48 2.25 -2.73 -2.05 3.85 -1.26 -4.49 116.55 107.65 1cxy n ASP 22 Ca 0.05 -1.92 -0.04 0.00 -0.71 0.00 0.00 54.79 52.17 1cxy n ASP 22 Cb 0.20 -0.24 0.03 0.00 -1.35 0.00 0.00 41.12 39.76 1cxy n ASP 22 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1cxy n ASP 23 N 0.72 -2.66 -4.09 -1.12 4.64 -0.31 -5.01 116.55 108.72 1cxy n ASP 23 Ca 0.15 -2.35 -0.34 0.00 -1.38 0.00 0.00 54.79 50.88 1cxy n ASP 23 Cb 0.38 1.41 -0.14 0.00 -1.04 0.00 0.00 41.12 41.73 1cxy n ASP 23 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1cxy s TRP 25 N 1.08 2.96 0.09 0.00 0.52 -0.61 -0.69 118.94 122.30 1cxy s TRP 25 Ca 0.03 -0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.11 1cxy s TRP 25 Cb -0.20 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 1cxy s TRP 25 CO -0.05 0.49 -0.06 -1.64 0.02 0.00 0.00 176.95 175.72 1cxy s MET 26 N -2.55 0.80 -0.15 4.98 -1.94 -0.41 0.37 119.30 120.40 1cxy s MET 26 Ca 0.27 -1.32 -0.01 0.00 -1.71 0.00 0.00 55.69 52.92 1cxy s MET 26 Cb -0.11 -0.14 -0.01 0.00 2.01 0.00 0.00 34.83 36.58 1cxy s MET 26 CO 0.19 -0.03 -0.12 0.00 -0.01 0.00 0.00 175.02 175.05 1cxy s ALA 27 N -3.67 2.64 -0.03 3.03 0.00 -0.55 -1.08 121.76 122.09 1cxy s ALA 27 Ca 0.11 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1cxy s ALA 27 Cb 0.06 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.90 1cxy s ALA 27 CO -0.05 0.08 0.02 0.42 0.00 0.00 0.00 175.76 176.23 1cxy s ILE 28 N 0.62 0.06 -1.53 0.00 1.01 -0.15 -0.57 121.20 120.63 1cxy s ILE 28 Ca -0.07 0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.66 1cxy s ILE 28 Cb -0.15 -0.21 0.09 0.00 0.01 0.00 0.00 42.46 42.19 1cxy s ILE 28 CO 0.03 0.15 0.92 1.41 0.00 0.00 0.00 174.94 177.44 1cxy n HIS 29 N 4.50 -2.18 -0.98 3.97 8.25 -1.26 -1.43 115.22 126.10 1cxy n HIS 29 Ca -0.20 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1cxy n HIS 29 Cb 0.50 -3.87 0.00 0.00 1.12 0.00 0.00 29.99 27.74 1cxy n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cxy n GLY 30 N -1.66 0.33 3.47 -1.41 0.00 -1.26 -5.00 105.19 99.66 1cxy n GLY 30 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1cxy n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cxy s LYS 31 N -0.75 1.69 -0.11 1.61 1.02 -0.51 -1.09 119.74 121.61 1cxy s LYS 31 Ca 0.00 -1.36 -0.00 0.00 0.02 0.00 0.00 55.97 54.63 1cxy s LYS 31 Cb 0.00 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1cxy s LYS 31 CO 0.00 0.43 -0.10 0.08 -0.92 0.00 0.00 175.35 174.85 1cxy s VAL 32 N -1.47 3.41 -0.01 3.17 1.01 0.59 -0.98 120.40 126.12 1cxy s VAL 32 Ca 0.20 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1cxy s VAL 32 Cb -0.09 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1cxy s VAL 32 CO 0.11 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.28 1cxy s TYR 33 N -0.08 1.46 -0.62 5.22 1.51 -0.24 -0.33 117.35 124.27 1cxy s TYR 33 Ca -0.01 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 1cxy s TYR 33 Cb -0.14 -0.93 0.16 0.00 -0.11 0.00 0.00 41.96 40.94 1cxy s TYR 33 CO 0.03 -0.01 0.53 0.34 -1.11 0.00 0.00 175.55 175.32 1cxy s ASP 34 N -0.48 6.07 -0.01 2.29 -1.08 -0.40 -1.28 116.67 121.78 1cxy s ASP 34 Ca 0.06 -2.27 0.17 0.00 -0.52 0.00 0.00 52.55 49.99 1cxy s ASP 34 Cb -0.06 -2.09 0.51 0.00 -1.46 0.00 0.00 42.92 39.81 1cxy s ASP 34 CO -0.00 -0.64 1.42 0.18 0.52 0.00 0.00 175.17 176.64 1cxy n LEU 35 N 4.48 3.10 -0.16 -1.34 4.77 0.13 -4.62 117.00 123.36 1cxy n LEU 35 Ca -0.00 -1.55 -0.03 0.00 -0.03 0.00 0.00 56.01 54.40 1cxy n LEU 35 Cb 0.42 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1cxy n LEU 35 CO 0.41 0.75 0.79 0.74 -1.33 0.00 0.00 177.39 178.74 1cxy h THR 36 N 3.29 0.53 0.00 -5.08 2.02 -1.84 0.66 112.91 112.49 1cxy h THR 36 Ca 0.00 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1cxy h THR 36 Cb 0.80 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1cxy h THR 36 CO 0.02 0.01 -0.25 1.55 0.37 0.00 0.00 175.52 177.21 1cxy h PRO 37 N 0.03 0.00 0.00 6.66 0.13 -1.93 -2.99 132.00 133.91 1cxy h PRO 37 Ca 0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.28 1cxy h PRO 37 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1cxy h PRO 37 CO -0.49 0.25 -0.47 -0.92 -0.23 0.00 0.00 178.00 176.14 1cxy h TYR 38 N 0.00 0.00 -0.81 1.56 5.03 -1.21 -3.39 116.97 118.14 1cxy h TYR 38 Ca -0.00 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.38 1cxy h TYR 38 Cb 0.49 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 38.67 1cxy h TYR 38 CO 0.00 0.47 -0.47 0.28 -1.32 0.00 0.00 178.16 177.12 1cxy n VAL 39 N -3.23 -0.55 0.41 1.81 0.31 -0.81 -0.19 118.33 116.08 1cxy n VAL 39 Ca 0.02 1.97 0.10 0.00 -0.01 0.00 0.00 64.34 66.42 1cxy n VAL 39 Cb 0.71 -2.44 0.42 0.00 -0.91 0.00 0.00 33.84 31.62 1cxy n VAL 39 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1cxy n PRO 40 N -5.03 0.12 0.00 5.55 -0.04 -1.26 -2.47 135.00 131.86 1cxy n PRO 40 Ca 0.02 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1cxy n PRO 40 Cb 0.22 -1.73 0.11 0.00 -0.04 0.00 0.00 33.50 32.06 1cxy n PRO 40 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1cxy n ASN 41 N -1.96 1.34 -4.71 3.54 3.02 0.74 -4.95 115.26 112.29 1cxy n ASN 41 Ca 0.02 -1.07 -0.42 0.00 -0.03 0.00 0.00 54.58 53.08 1cxy n ASN 41 Cb 0.19 0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 1cxy n ASN 41 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1cxy s HIS 42 N -2.66 2.72 1.01 3.10 2.46 -1.03 -5.00 115.29 115.89 1cxy s HIS 42 Ca 0.17 0.41 -0.13 0.00 0.47 0.00 0.00 55.06 55.97 1cxy s HIS 42 Cb 0.18 -4.00 0.19 0.00 -0.13 0.00 0.00 32.58 28.82 1cxy s HIS 42 CO 0.64 -3.87 1.12 -2.14 -2.47 0.00 0.00 174.74 168.02 1cxy s PRO 43 N 1.82 0.37 0.44 2.88 0.02 -1.26 -4.94 135.00 134.34 1cxy s PRO 43 Ca 0.73 0.32 0.00 0.00 0.02 0.00 0.00 61.00 62.07 1cxy s PRO 43 Cb -0.44 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1cxy s PRO 43 CO 0.32 -2.73 0.00 0.41 -0.33 0.00 0.00 177.00 174.68 1cxy n GLY 44 N -1.49 -2.13 3.68 0.52 0.00 -1.26 -4.92 105.19 99.58 1cxy n GLY 44 Ca 0.07 -1.74 -0.45 0.00 0.00 0.00 0.00 46.02 43.90 1cxy n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cxy n PRO 45 N -0.09 2.15 -1.61 1.61 -0.02 -1.26 -4.84 135.00 130.95 1cxy n PRO 45 Ca 0.00 0.77 -0.48 0.00 -2.02 0.00 0.00 63.50 61.76 1cxy n PRO 45 Cb 0.00 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 30.97 1cxy n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cxy n ALA 46 N 2.31 -0.28 -1.22 3.55 0.00 -1.26 -3.28 120.51 120.33 1cxy n ALA 46 Ca 0.13 0.46 -0.08 0.00 0.00 0.00 0.00 53.44 53.95 1cxy n ALA 46 Cb 0.31 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 1cxy n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cxy n GLY 47 N 2.24 0.95 0.18 0.00 0.00 -1.26 -4.92 105.19 102.38 1cxy n GLY 47 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 1cxy n GLY 47 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1cxy h MET 48 N 0.13 0.12 0.00 1.61 2.07 -1.93 -2.70 114.93 114.22 1cxy h MET 48 Ca -0.16 -0.06 -0.16 0.00 -2.07 0.00 0.00 59.70 57.25 1cxy h MET 48 Cb 0.62 -0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.33 1cxy h MET 48 CO 0.23 0.54 -0.76 1.98 1.07 0.00 0.00 176.91 179.97 1cxy h MET 49 N 0.10 0.00 -0.20 1.72 4.05 -1.91 -3.33 114.93 115.36 1cxy h MET 49 Ca 0.01 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1cxy h MET 49 Cb 0.82 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.61 1cxy h MET 49 CO 0.06 0.76 0.14 -0.07 0.23 0.00 0.00 176.91 178.03 1cxy h LEU 50 N 0.00 0.12 -2.31 3.39 3.38 -1.89 -0.40 115.31 117.60 1cxy h LEU 50 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cxy h LEU 50 Cb 1.54 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1cxy h LEU 50 CO 0.10 0.08 -0.00 -0.37 0.09 0.00 0.00 178.44 178.34 1cxy h VAL 51 N 0.14 0.02 -0.02 1.22 -1.51 -1.69 -2.24 116.25 112.17 1cxy h VAL 51 Ca 0.09 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1cxy h VAL 51 Cb 0.17 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1cxy h VAL 51 CO -0.01 0.00 -0.10 0.79 -1.23 0.00 0.00 177.57 177.02 1cxy n TRP 52 N -3.11 0.00 -1.75 5.19 7.02 -0.16 -4.93 117.44 119.70 1cxy n TRP 52 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.05 1cxy n TRP 52 Cb 0.18 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 1cxy n TRP 52 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1cxy n GLY 54 N 2.24 0.78 3.58 0.00 0.00 0.16 -4.54 105.19 107.41 1cxy n GLY 54 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1cxy n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cxy s GLN 55 N -0.18 1.93 -0.19 1.61 -1.52 -0.49 -3.04 119.66 117.77 1cxy s GLN 55 Ca 0.00 -1.82 -0.29 0.00 -1.95 0.00 0.00 55.36 51.30 1cxy s GLN 55 Cb 0.00 -1.82 -0.02 0.00 -0.22 0.00 0.00 33.01 30.95 1cxy s GLN 55 CO 0.00 0.17 1.39 -2.00 -0.25 0.00 0.00 175.29 174.60 1cxy s GLU 56 N -3.65 4.06 -0.10 2.91 -6.30 -1.26 -1.49 118.70 112.88 1cxy s GLU 56 Ca 0.33 1.63 0.14 0.00 -2.50 0.00 0.00 54.97 54.57 1cxy s GLU 56 Cb 0.00 -3.88 0.29 0.00 0.00 0.00 0.00 34.13 30.55 1cxy s GLU 56 CO 0.18 -0.94 1.14 0.43 0.02 0.00 0.00 175.26 176.08 1cxy n SER 57 N 7.29 1.39 -0.16 -1.70 7.64 0.26 -4.88 113.62 123.46 1cxy n SER 57 Ca 0.15 -2.86 -0.04 0.00 1.01 0.00 0.00 58.87 57.13 1cxy n SER 57 Cb 0.45 -0.38 0.05 0.00 -1.01 0.00 0.00 64.21 63.32 1cxy n SER 57 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1cxy h THR 58 N 3.20 0.91 -0.46 0.44 2.02 -1.91 -1.02 112.91 116.10 1cxy h THR 58 Ca -0.05 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1cxy h THR 58 Cb 1.27 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1cxy h THR 58 CO 0.02 0.08 0.27 -0.08 0.37 0.00 0.00 175.52 176.17 1cxy h GLU 59 N 0.42 0.62 -0.85 6.66 4.57 -1.96 0.88 114.58 124.93 1cxy h GLU 59 Ca 0.22 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1cxy h GLU 59 Cb 0.18 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1cxy h GLU 59 CO -0.19 0.47 0.50 0.00 -1.18 0.00 0.00 179.01 178.61 1cxy h ALA 60 N 1.12 1.08 -0.48 2.92 0.00 -1.89 -1.20 119.26 120.82 1cxy h ALA 60 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cxy h ALA 60 Cb 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1cxy h ALA 60 CO -0.03 0.56 0.29 2.35 0.00 0.00 0.00 179.25 182.43 1cxy h TRP 61 N 1.17 0.63 0.00 0.00 2.91 -0.61 0.14 115.95 120.20 1cxy h TRP 61 Ca 0.30 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 60.22 1cxy h TRP 61 Cb -0.02 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.41 1cxy h TRP 61 CO 0.00 0.43 -0.49 0.93 -1.03 0.00 0.00 178.44 178.28 1cxy h GLU 62 N 0.64 0.00 0.00 2.65 5.08 -0.43 -3.35 114.58 119.18 1cxy h GLU 62 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1cxy h GLU 62 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1cxy h GLU 62 CO -0.03 0.49 -0.19 0.25 -1.00 0.00 0.00 179.01 178.53 1cxy n THR 63 N -3.86 0.00 -1.46 1.13 -2.24 -0.49 -3.83 114.28 103.53 1cxy n THR 63 Ca -0.01 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 1cxy n THR 63 Cb 0.52 0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1cxy n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cxy n LYS 64 N -1.10 -1.55 -0.99 -0.78 5.02 0.50 -0.54 118.16 118.73 1cxy n LYS 64 Ca 0.00 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1cxy n LYS 64 Cb 0.04 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 29.60 1cxy n LYS 64 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1cxy n SER 65 N -1.24 -4.91 0.00 4.39 7.64 -1.25 -4.70 113.62 113.55 1cxy n SER 65 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1cxy n SER 65 Cb 0.63 -2.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.34 1cxy n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cxy n TYR 66 N -2.33 0.00 0.00 1.43 0.18 -0.85 -5.05 117.16 110.54 1cxy n TYR 66 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1cxy n TYR 66 Cb 0.33 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.29 1cxy n TYR 66 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1cxy n GLY 67 N 0.09 1.30 2.86 -7.48 0.00 0.30 -5.14 105.19 97.13 1cxy n GLY 67 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1cxy n GLY 67 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cxy s GLU 68 N -0.06 0.22 0.75 1.61 1.03 -0.57 -5.04 118.70 116.64 1cxy s GLU 68 Ca 0.00 -0.00 -0.11 0.00 0.03 0.00 0.00 54.97 54.89 1cxy s GLU 68 Cb 0.00 -0.31 0.04 0.00 -0.80 0.00 0.00 34.13 33.06 1cxy s GLU 68 CO 0.00 -0.04 1.09 -1.25 -1.33 0.00 0.00 175.26 173.73 1cxy s PRO 69 N 0.46 2.52 0.39 -4.83 0.04 -1.25 -3.10 135.00 129.23 1cxy s PRO 69 Ca -0.04 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 61.43 1cxy s PRO 69 Cb -0.07 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1cxy s PRO 69 CO -0.01 -1.32 1.03 -1.01 0.04 0.00 0.00 177.00 175.72 1cxy s HIS 70 N -3.18 3.31 1.08 0.56 3.76 -1.25 -4.95 115.29 114.63 1cxy s HIS 70 Ca 0.59 1.66 -0.15 0.00 -0.15 0.00 0.00 55.06 57.01 1cxy s HIS 70 Cb -0.13 -3.08 0.23 0.00 1.11 0.00 0.00 32.58 30.71 1cxy s HIS 70 CO 0.54 -0.49 1.10 -1.54 -0.85 0.00 0.00 174.74 173.50 1cxy s SER 71 N -1.63 1.90 0.21 1.40 1.04 -1.26 -4.81 113.70 110.55 1cxy s SER 71 Ca 0.57 0.94 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 1cxy s SER 71 Cb -0.20 -1.44 0.15 0.00 0.10 0.00 0.00 66.02 64.63 1cxy s SER 71 CO 0.26 -3.55 1.71 0.28 0.98 0.00 0.00 173.24 172.92 1cxy h SER 72 N -2.18 1.02 -0.14 7.02 0.02 -1.99 -0.73 113.55 116.57 1cxy h SER 72 Ca -0.51 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.24 1cxy h SER 72 Cb 1.32 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1cxy h SER 72 CO 0.49 1.01 -0.08 0.25 -1.14 0.00 0.00 176.83 177.36 1cxy h LEU 73 N 1.00 -0.25 -1.36 5.07 6.46 -2.00 -1.19 115.31 123.04 1cxy h LEU 73 Ca 0.20 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 1cxy h LEU 73 Cb 0.43 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1cxy h LEU 73 CO 0.01 -0.10 0.44 0.00 -0.62 0.00 0.00 178.44 178.17 1cxy h ALA 74 N 1.05 1.55 -0.18 1.25 0.00 -1.75 -1.47 119.26 119.71 1cxy h ALA 74 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1cxy h ALA 74 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1cxy h ALA 74 CO -0.18 0.40 -0.33 0.00 0.00 0.00 0.00 179.25 179.14 1cxy h ALA 75 N 1.59 1.11 -0.40 0.00 0.00 -0.57 0.35 119.26 121.33 1cxy h ALA 75 Ca 0.25 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1cxy h ALA 75 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cxy h ALA 75 CO -0.06 0.57 -0.30 0.00 0.00 0.00 0.00 179.25 179.46 1cxy h ARG 76 N 0.31 0.87 -0.49 0.00 3.08 -0.75 -1.94 114.38 115.46 1cxy h ARG 76 Ca 0.04 -0.40 -0.11 0.00 0.07 0.00 0.00 59.98 59.58 1cxy h ARG 76 Cb 0.74 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1cxy h ARG 76 CO 0.06 1.05 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.81 1cxy h LEU 77 N 0.73 0.96 -0.52 3.04 3.38 -0.80 -2.96 115.31 119.14 1cxy h LEU 77 Ca 0.08 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1cxy h LEU 77 Cb 0.86 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1cxy h LEU 77 CO 0.08 1.10 0.33 0.25 0.09 0.00 0.00 178.44 180.29 1cxy h LEU 78 N 0.81 0.56 -1.91 1.67 5.85 -0.75 -2.84 115.31 118.69 1cxy h LEU 78 Ca 0.12 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1cxy h LEU 78 Cb 0.68 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1cxy h LEU 78 CO 0.05 0.40 0.08 -0.61 -0.34 0.00 0.00 178.44 178.01 1cxy h GLN 79 N 0.67 0.12 -0.31 1.25 4.15 -1.19 -1.08 115.11 118.71 1cxy h GLN 79 Ca 0.20 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.68 1cxy h GLN 79 Cb -0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1cxy h GLN 79 CO -0.06 0.08 0.22 -0.09 -1.93 0.00 0.00 178.83 177.04 1cxy h ARG 80 N 0.12 0.09 -0.47 1.69 9.65 -1.42 -1.66 114.38 122.37 1cxy h ARG 80 Ca 0.05 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1cxy h ARG 80 Cb 0.03 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1cxy h ARG 80 CO -0.01 0.06 0.00 0.66 2.80 0.00 0.00 179.97 183.48 1cxy n TYR 81 N -4.47 0.65 -1.74 2.20 4.02 -0.41 -4.94 117.16 112.48 1cxy n TYR 81 Ca 0.04 -0.31 -0.42 0.00 -0.01 0.00 0.00 57.90 57.20 1cxy n TYR 81 Cb 0.32 -0.04 -0.02 0.00 -0.02 0.00 0.00 39.34 39.59 1cxy n TYR 81 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1cxy n LEU 82 N 0.73 4.24 0.00 7.72 7.94 -0.63 -1.27 117.00 135.72 1cxy n LEU 82 Ca 0.15 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 1cxy n LEU 82 Cb 0.41 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.79 1cxy n LEU 82 CO 0.11 0.09 -0.06 2.30 -1.11 0.00 0.00 177.39 178.72 1cxy n ILE 83 N 2.11 0.00 -3.08 1.96 -5.35 0.55 -4.83 119.36 110.72 1cxy n ILE 83 Ca 0.09 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1cxy n ILE 83 Cb 0.36 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 1cxy n ILE 83 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cxy n GLY 84 N 0.83 -1.31 3.67 3.28 0.00 -1.09 -4.23 105.19 106.35 1cxy n GLY 84 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.84 1cxy n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cxy s THR 85 N -2.94 2.87 -2.83 2.61 -4.23 -0.13 -0.30 115.64 110.69 1cxy s THR 85 Ca 0.00 -1.85 0.25 0.00 -1.18 0.00 0.00 61.69 58.91 1cxy s THR 85 Cb 0.00 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 71.27 1cxy s THR 85 CO 0.00 -0.21 1.42 -0.11 -0.54 0.00 0.00 174.62 175.18