#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1chq s PRO 2 N 0.00 4.34 0.31 -2.82 0.04 -1.26 -4.94 135.00 130.66 1chq s PRO 2 Ca 0.00 2.23 0.19 0.00 0.04 0.00 0.00 61.00 63.47 1chq s PRO 2 Cb 0.00 -3.07 0.14 0.00 0.04 0.00 0.00 34.50 31.61 1chq s PRO 2 CO 0.00 -0.22 1.39 0.37 0.04 0.00 0.00 177.00 178.57 1chq h GLN 3 N 3.58 0.00 0.00 4.56 5.75 -2.03 -3.48 115.11 123.49 1chq h GLN 3 Ca -0.49 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 57.85 1chq h GLN 3 Cb 1.23 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.73 1chq h GLN 3 CO 0.67 0.21 -0.15 0.27 -2.65 0.00 0.00 178.83 177.18 1chq n ASN 4 N -3.06 -0.33 -0.08 -0.69 6.94 -1.26 -5.08 115.26 111.69 1chq n ASN 4 Ca 0.01 -1.82 -0.14 0.00 -0.02 0.00 0.00 54.58 52.61 1chq n ASN 4 Cb 0.64 0.72 -0.05 0.00 -2.36 0.00 0.00 39.78 38.74 1chq n ASN 4 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1chq h ILE 5 N 1.41 1.30 0.23 1.53 2.10 -1.96 -2.67 117.51 119.44 1chq h ILE 5 Ca -0.09 -1.59 -0.01 0.00 1.08 0.00 0.00 64.86 64.25 1chq h ILE 5 Cb 0.46 1.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 1chq h ILE 5 CO 0.13 0.51 -0.11 0.74 -1.08 0.00 0.00 178.15 178.34 1chq h THR 6 N 0.48 0.79 0.00 2.19 2.02 -1.98 0.50 112.91 116.91 1chq h THR 6 Ca 0.03 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1chq h THR 6 Cb 0.99 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1chq h THR 6 CO 0.09 0.02 0.00 0.44 0.37 0.00 0.00 175.52 176.44 1chq h ASP 7 N -0.35 0.00 0.21 4.18 3.32 -2.00 -2.08 116.42 119.70 1chq h ASP 7 Ca -0.03 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.72 1chq h ASP 7 Cb 0.27 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.85 1chq h ASP 7 CO 0.05 0.00 -1.34 0.25 -1.72 0.00 0.00 179.24 176.49 1chq h LEU 8 N 0.00 0.71 -0.98 1.55 6.46 -1.21 -3.34 115.31 118.51 1chq h LEU 8 Ca 0.00 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 56.83 1chq h LEU 8 Cb 0.47 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1chq h LEU 8 CO 0.00 1.64 0.00 0.00 -0.62 0.00 0.00 178.44 179.46 1chq h ALA 10 N 2.10 0.86 0.00 0.00 0.00 -1.51 -3.32 119.26 117.38 1chq h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1chq h ALA 10 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1chq h ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1chq n GLU 11 N -2.27 0.18 -4.42 0.00 1.02 -1.08 -4.85 120.64 109.22 1chq n GLU 11 Ca 0.05 0.27 -0.25 0.00 -0.02 0.00 0.00 57.16 57.21 1chq n GLU 11 Cb 0.44 -1.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 1chq n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1chq s TYR 12 N -3.16 2.46 0.12 -0.32 1.51 -1.25 -5.13 117.35 111.58 1chq s TYR 12 Ca 0.08 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.64 1chq s TYR 12 Cb 0.12 -1.31 -0.06 0.00 -0.11 0.00 0.00 41.96 40.60 1chq s TYR 12 CO 0.48 0.58 0.44 -1.01 -1.11 0.00 0.00 175.55 174.93 1chq s HIS 13 N -2.52 3.54 -1.14 2.71 3.76 -1.26 -4.25 115.29 116.14 1chq s HIS 13 Ca 0.33 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 1chq s HIS 13 Cb -0.01 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1chq s HIS 13 CO 0.18 0.45 0.00 0.09 -0.85 0.00 0.00 174.74 174.61 1chq n ASN 14 N 0.60 -4.11 -4.54 1.40 3.02 -1.26 -4.97 115.26 105.40 1chq n ASN 14 Ca -0.05 0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.31 1chq n ASN 14 Cb 0.52 -3.03 -0.11 0.00 -0.61 0.00 0.00 39.78 36.55 1chq n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1chq s THR 15 N -2.53 3.26 -0.00 3.41 -4.23 -1.26 -0.84 115.64 113.45 1chq s THR 15 Ca 0.00 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1chq s THR 15 Cb 0.00 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1chq s THR 15 CO 0.00 0.35 0.12 0.00 -0.54 0.00 0.00 174.62 174.54 1chq s GLN 16 N -1.50 0.42 0.16 3.99 -2.07 0.35 -4.94 119.66 116.07 1chq s GLN 16 Ca 0.16 -0.35 -0.08 0.00 -1.82 0.00 0.00 55.36 53.28 1chq s GLN 16 Cb -0.11 0.17 -0.06 0.00 -1.09 0.00 0.00 33.01 31.92 1chq s GLN 16 CO 0.07 -0.10 0.45 0.42 -1.32 0.00 0.00 175.29 174.82 1chq s ILE 17 N -1.20 5.05 -0.05 3.63 -1.09 -1.26 -0.58 121.20 125.69 1chq s ILE 17 Ca -0.13 0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 1chq s ILE 17 Cb -0.07 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1chq s ILE 17 CO 0.01 0.08 -0.05 -1.00 -1.23 0.00 0.00 174.94 172.75 1chq s HIS 18 N -1.63 0.83 -0.48 3.97 3.76 -0.28 -4.97 115.29 116.49 1chq s HIS 18 Ca 0.41 -0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 1chq s HIS 18 Cb -0.12 -0.74 0.06 0.00 1.11 0.00 0.00 32.58 32.88 1chq s HIS 18 CO 0.21 -0.23 0.49 0.99 -0.85 0.00 0.00 174.74 175.35 1chq s THR 19 N 1.08 5.08 -0.17 1.30 2.01 -1.26 -1.42 115.64 122.25 1chq s THR 19 Ca -0.08 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1chq s THR 19 Cb -0.14 -4.18 -0.22 0.00 0.01 0.00 0.00 72.50 67.96 1chq s THR 19 CO -0.01 -0.65 0.19 0.18 -0.69 0.00 0.00 174.62 173.64 1chq n LEU 20 N 5.62 2.41 -4.18 4.42 7.99 0.20 -4.97 117.00 128.49 1chq n LEU 20 Ca -0.10 0.24 -0.32 0.00 -0.01 0.00 0.00 56.01 55.82 1chq n LEU 20 Cb 0.45 -1.03 -0.06 0.00 -0.11 0.00 0.00 43.42 42.67 1chq n LEU 20 CO 0.50 0.68 -0.37 0.59 -1.51 0.00 0.00 177.39 177.29 1chq n ASN 21 N -3.78 -0.23 -3.73 -1.43 5.03 0.11 -4.92 115.26 106.31 1chq n ASN 21 Ca -0.36 -1.21 -0.09 0.00 0.87 0.00 0.00 54.58 53.79 1chq n ASN 21 Cb 0.93 -2.01 -0.03 0.00 -1.02 0.00 0.00 39.78 37.65 1chq n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1chq s ASP 22 N -4.24 -0.29 0.31 6.41 2.15 -0.44 -4.91 116.67 115.66 1chq s ASP 22 Ca 0.08 -0.47 -0.12 0.00 0.43 0.00 0.00 52.55 52.48 1chq s ASP 22 Cb -0.04 0.61 -0.08 0.00 -0.30 0.00 0.00 42.92 43.11 1chq s ASP 22 CO 0.97 -1.10 0.68 -1.59 -0.17 0.00 0.00 175.17 173.96 1chq s LYS 23 N -3.87 3.88 0.45 4.34 -2.85 -1.26 -0.09 119.74 120.33 1chq s LYS 23 Ca 0.09 0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 55.29 1chq s LYS 23 Cb -0.02 -2.49 -0.08 0.00 -2.06 0.00 0.00 37.83 33.18 1chq s LYS 23 CO -0.02 0.16 1.37 0.42 0.10 0.00 0.00 175.35 177.39 1chq s ILE 24 N -2.03 2.27 -0.22 3.79 1.01 -1.26 -4.69 121.20 120.06 1chq s ILE 24 Ca 0.51 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 61.38 1chq s ILE 24 Cb -0.10 -3.13 -0.19 0.00 0.01 0.00 0.00 42.46 39.04 1chq s ILE 24 CO 0.22 0.03 -0.06 0.33 0.00 0.00 0.00 174.94 175.46 1chq n PHE 25 N -0.20 0.36 -3.93 3.97 7.35 0.18 -4.97 117.46 120.23 1chq n PHE 25 Ca 0.05 0.08 -0.09 0.00 -0.76 0.00 0.00 57.45 56.73 1chq n PHE 25 Cb 0.43 -1.05 -0.09 0.00 0.35 0.00 0.00 39.48 39.13 1chq n PHE 25 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1chq s SER 26 N -6.70 0.21 -0.06 -2.13 1.04 -1.20 -4.95 113.70 99.91 1chq s SER 26 Ca -0.32 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.44 1chq s SER 26 Cb 0.08 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1chq s SER 26 CO 0.64 -0.62 -0.00 -0.47 0.98 0.00 0.00 173.24 173.77 1chq s TYR 27 N -3.41 0.58 -0.08 5.02 5.04 -1.26 -2.33 117.35 120.91 1chq s TYR 27 Ca 0.02 -0.12 0.03 0.00 -2.44 0.00 0.00 57.07 54.56 1chq s TYR 27 Cb 0.03 -0.68 0.01 0.00 0.35 0.00 0.00 41.96 41.67 1chq s TYR 27 CO -0.08 -0.26 -0.16 0.99 -1.34 0.00 0.00 175.55 174.70 1chq s THR 28 N 1.60 1.46 -0.07 4.34 2.01 0.86 -4.98 115.64 120.87 1chq s THR 28 Ca -0.01 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1chq s THR 28 Cb -0.13 -1.31 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1chq s THR 28 CO -0.03 0.43 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.45 1chq s GLU 29 N 0.64 2.12 -0.07 4.92 2.12 -1.26 0.24 118.70 127.41 1chq s GLU 29 Ca -0.14 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.61 1chq s GLU 29 Cb -0.16 -1.71 0.01 0.00 0.26 0.00 0.00 34.13 32.53 1chq s GLU 29 CO 0.04 0.13 -0.13 0.45 -0.54 0.00 0.00 175.26 175.21 1chq s SER 30 N 0.40 1.89 0.00 -1.70 0.15 0.33 -4.98 113.70 109.78 1chq s SER 30 Ca -0.13 -0.32 0.15 0.00 0.70 0.00 0.00 55.95 56.35 1chq s SER 30 Cb -0.15 -0.84 0.05 0.00 -1.71 0.00 0.00 66.02 63.36 1chq s SER 30 CO 0.05 0.05 0.89 0.00 1.20 0.00 0.00 173.24 175.43 1chq n LEU 31 N 3.73 1.87 -4.67 3.45 -0.00 -1.26 -2.40 117.00 117.72 1chq n LEU 31 Ca -0.22 -0.87 -0.42 0.00 -0.00 0.00 0.00 56.01 54.50 1chq n LEU 31 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.91 1chq n LEU 31 CO 0.26 0.35 1.53 0.00 -0.00 0.00 0.00 177.39 179.52 1chq s ALA 32 N -1.56 3.64 0.38 1.47 0.00 -1.26 -4.84 121.76 119.58 1chq s ALA 32 Ca 0.15 1.31 -0.23 0.00 0.00 0.00 0.00 51.96 53.19 1chq s ALA 32 Cb 0.12 -3.81 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 1chq s ALA 32 CO 0.29 -1.45 0.32 0.41 0.00 0.00 0.00 175.76 175.33 1chq n GLY 33 N 4.40 -2.14 3.41 0.00 0.00 -1.26 -2.50 105.19 107.10 1chq n GLY 33 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1chq n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1chq n LYS 34 N 1.03 0.00 -2.58 1.61 2.85 -1.26 -4.75 118.16 115.05 1chq n LYS 34 Ca 0.12 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.25 1chq n LYS 34 Cb 0.38 -2.15 0.03 0.00 -0.65 0.00 0.00 35.03 32.63 1chq n LYS 34 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1chq n ASP 35 N 0.00 2.64 -4.57 -5.58 5.75 -1.04 -4.97 116.55 108.78 1chq n ASP 35 Ca 0.00 -2.90 -0.28 0.00 -0.01 0.00 0.00 54.79 51.60 1chq n ASP 35 Cb 0.00 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 39.55 1chq n ASP 35 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1chq s GLU 36 N -3.44 2.52 0.04 0.11 8.01 -1.25 -4.44 118.70 120.25 1chq s GLU 36 Ca 0.35 -0.89 0.08 0.00 0.01 0.00 0.00 54.97 54.52 1chq s GLU 36 Cb 0.41 -5.19 -0.03 0.00 -4.31 0.00 0.00 34.13 25.01 1chq s GLU 36 CO -0.03 -3.78 -0.22 0.00 0.01 0.00 0.00 175.26 171.23 1chq s MET 37 N 6.63 1.54 -0.11 1.61 0.23 -1.01 -4.35 119.30 123.84 1chq s MET 37 Ca 0.69 -0.98 0.03 0.00 -1.03 0.00 0.00 55.69 54.41 1chq s MET 37 Cb -0.03 -1.66 0.00 0.00 -1.53 0.00 0.00 34.83 31.62 1chq s MET 37 CO 0.09 0.43 -0.23 0.00 -2.03 0.00 0.00 175.02 173.28 1chq s ALA 38 N -0.78 2.22 -0.07 3.16 0.00 -1.25 -0.51 121.76 124.52 1chq s ALA 38 Ca 0.09 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1chq s ALA 38 Cb -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1chq s ALA 38 CO 0.02 0.23 -0.10 0.42 0.00 0.00 0.00 175.76 176.33 1chq s ILE 39 N 0.42 1.03 0.22 0.00 1.01 0.14 -1.86 121.20 122.16 1chq s ILE 39 Ca -0.16 -0.39 0.11 0.00 0.00 0.00 0.00 60.65 60.20 1chq s ILE 39 Cb -0.17 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1chq s ILE 39 CO 0.07 0.34 -0.21 0.27 0.00 0.00 0.00 174.94 175.41 1chq s ILE 40 N 0.89 2.24 0.24 2.92 -4.36 -0.86 -0.10 121.20 122.18 1chq s ILE 40 Ca -0.11 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.15 1chq s ILE 40 Cb -0.15 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 1chq s ILE 40 CO 0.01 -0.28 0.14 0.42 0.24 0.00 0.00 174.94 175.47 1chq s THR 41 N -2.12 0.16 0.44 8.37 -4.23 -0.98 -1.87 115.64 115.41 1chq s THR 41 Ca 0.23 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.77 1chq s THR 41 Cb -0.06 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1chq s THR 41 CO 0.11 0.00 0.06 -0.36 -0.54 0.00 0.00 174.62 173.89 1chq s PHE 42 N -3.94 1.91 0.20 3.99 0.40 -0.90 -0.65 117.98 118.99 1chq s PHE 42 Ca 0.38 -1.06 -0.06 0.00 -0.60 0.00 0.00 56.93 55.59 1chq s PHE 42 Cb 0.06 -1.41 0.14 0.00 0.51 0.00 0.00 43.02 42.33 1chq s PHE 42 CO 0.15 0.01 1.64 -0.22 0.70 0.00 0.00 175.22 177.50 1chq h LYS 43 N 1.65 0.92 0.00 0.44 3.64 -1.91 -2.86 116.57 118.45 1chq h LYS 43 Ca -0.40 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1chq h LYS 43 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1chq h LYS 43 CO 0.67 0.98 0.00 0.27 -2.27 0.00 0.00 179.45 179.10 1chq n ASN 44 N -4.15 0.45 0.00 4.20 0.23 -1.26 -4.83 115.26 109.90 1chq n ASN 44 Ca 0.01 0.69 0.00 0.00 -0.53 0.00 0.00 54.58 54.75 1chq n ASN 44 Cb 0.39 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.34 1chq n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1chq n GLY 45 N -1.06 1.87 3.67 4.83 0.00 -1.08 -5.08 105.19 108.34 1chq n GLY 45 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 1chq n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1chq n ALA 46 N -0.97 1.28 -2.46 4.61 0.00 -1.26 -4.70 120.51 117.01 1chq n ALA 46 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.55 1chq n ALA 46 Cb 0.00 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 16.94 1chq n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1chq s THR 47 N 1.50 2.80 0.02 0.00 2.01 -1.26 -2.12 115.64 118.60 1chq s THR 47 Ca 0.81 -1.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1chq s THR 47 Cb -0.68 -2.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 1chq s THR 47 CO 0.40 0.36 0.13 -0.36 -0.69 0.00 0.00 174.62 174.46 1chq s PHE 48 N -0.91 0.12 0.24 4.92 0.08 -0.78 -4.07 117.98 117.58 1chq s PHE 48 Ca 0.14 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.91 1chq s PHE 48 Cb -0.10 -0.09 -0.05 0.00 -0.57 0.00 0.00 43.02 42.20 1chq s PHE 48 CO 0.05 -0.35 -0.00 1.14 -0.10 0.00 0.00 175.22 175.96 1chq s GLN 49 N -2.13 1.38 -0.34 0.44 -2.07 -0.60 -2.02 119.66 114.32 1chq s GLN 49 Ca -0.09 -1.70 -0.05 0.00 -1.82 0.00 0.00 55.36 51.70 1chq s GLN 49 Cb -0.04 -0.67 0.05 0.00 -1.09 0.00 0.00 33.01 31.27 1chq s GLN 49 CO -0.02 -0.10 0.09 0.08 -1.32 0.00 0.00 175.29 174.02 1chq s VAL 50 N -3.38 3.49 0.05 3.63 1.01 -0.78 -1.54 120.40 122.88 1chq s VAL 50 Ca 0.29 -1.34 -0.33 0.00 0.00 0.00 0.00 61.98 60.60 1chq s VAL 50 Cb 0.06 -3.04 -0.12 0.00 0.00 0.00 0.00 36.38 33.27 1chq s VAL 50 CO 0.10 -0.23 1.77 1.21 0.00 0.00 0.00 175.10 177.94 1chq n GLU 51 N 4.73 2.33 -1.56 2.72 4.07 -1.26 -4.25 120.64 127.41 1chq n GLU 51 Ca -0.11 0.85 -0.48 0.00 -0.06 0.00 0.00 57.16 57.36 1chq n GLU 51 Cb 0.44 -2.68 -0.03 0.00 -0.06 0.00 0.00 31.44 29.10 1chq n GLU 51 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1chq n VAL 52 N 4.47 1.34 -1.10 6.31 0.31 -1.26 -4.79 118.33 123.61 1chq n VAL 52 Ca 0.20 -0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 63.78 1chq n VAL 52 Cb 0.31 -0.78 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 1chq n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1chq n PRO 53 N 1.34 1.03 -0.55 5.55 -0.02 -1.26 -4.94 135.00 136.15 1chq n PRO 53 Ca 0.14 -1.68 -0.11 0.00 -2.02 0.00 0.00 63.50 59.83 1chq n PRO 53 Cb 0.27 -2.95 0.08 0.00 -0.02 0.00 0.00 33.50 30.88 1chq n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1chq n GLY 54 N 4.88 -1.89 0.33 -1.23 0.00 -1.26 -4.89 105.19 101.13 1chq n GLY 54 Ca 0.48 -1.58 0.19 0.00 0.00 0.00 0.00 46.02 45.11 1chq n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1chq h SER 55 N -1.12 0.00 -0.06 1.61 4.64 -2.02 -2.58 113.55 114.01 1chq h SER 55 Ca -0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.08 1chq h SER 55 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1chq h SER 55 CO 0.11 0.00 -0.06 1.67 -0.87 0.00 0.00 176.83 177.68 1chq n GLN 56 N -3.36 1.35 -3.43 4.77 -0.06 -1.26 -4.57 117.38 110.82 1chq n GLN 56 Ca -0.02 -0.44 -0.17 0.00 -2.00 0.00 0.00 57.00 54.37 1chq n GLN 56 Cb 0.13 -1.33 -0.11 0.00 -4.06 0.00 0.00 30.24 24.87 1chq n GLN 56 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 1chq s HIS 57 N 0.07 -0.43 0.55 3.69 3.76 -0.98 -5.09 115.29 116.86 1chq s HIS 57 Ca 0.21 0.10 -0.09 0.00 -0.15 0.00 0.00 55.06 55.13 1chq s HIS 57 Cb 0.11 -0.37 0.14 0.00 1.11 0.00 0.00 32.58 33.57 1chq s HIS 57 CO -0.01 -0.77 0.38 -0.89 -0.85 0.00 0.00 174.74 172.60 1chq n ILE 58 N 5.32 0.00 1.24 0.60 5.41 -1.26 -4.80 119.36 125.87 1chq n ILE 58 Ca -0.04 -0.08 0.13 0.00 1.00 0.00 0.00 62.75 63.76 1chq n ILE 58 Cb 0.48 -0.68 0.31 0.00 -0.71 0.00 0.00 39.64 39.04 1chq n ILE 58 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1chq n ASP 59 N -3.97 1.64 -0.00 4.38 8.00 -1.26 -2.19 116.55 123.15 1chq n ASP 59 Ca 0.06 -1.35 0.11 0.00 0.71 0.00 0.00 54.79 54.32 1chq n ASP 59 Cb 0.24 0.14 -0.15 0.00 -0.02 0.00 0.00 41.12 41.32 1chq n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1chq n SER 60 N -0.00 0.14 0.02 -2.24 3.41 -1.26 -4.09 113.62 109.60 1chq n SER 60 Ca 0.14 -0.07 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1chq n SER 60 Cb 0.41 1.81 0.06 0.00 -0.26 0.00 0.00 64.21 66.23 1chq n SER 60 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1chq n GLN 61 N -2.22 0.22 -0.03 4.33 7.27 -1.14 -3.73 117.38 122.09 1chq n GLN 61 Ca -0.03 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.89 1chq n GLN 61 Cb 0.55 -1.58 -0.10 0.00 2.41 0.00 0.00 30.24 31.52 1chq n GLN 61 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1chq h LYS 62 N 0.00 0.26 -0.58 3.69 1.57 -1.59 -2.86 116.57 117.07 1chq h LYS 62 Ca 0.00 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1chq h LYS 62 Cb 0.67 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1chq h LYS 62 CO 0.00 0.89 0.36 1.57 -0.57 0.00 0.00 179.45 181.70 1chq h LYS 63 N -0.29 0.69 -0.11 3.15 2.10 -1.72 -1.11 116.57 119.28 1chq h LYS 63 Ca -0.02 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.49 1chq h LYS 63 Cb 0.96 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1chq h LYS 63 CO 0.06 0.45 -0.36 0.00 -2.00 0.00 0.00 179.45 177.61 1chq h ALA 64 N 1.25 1.19 -0.23 0.07 0.00 -1.67 -1.49 119.26 118.38 1chq h ALA 64 Ca 0.23 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1chq h ALA 64 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1chq h ALA 64 CO -0.09 0.54 -0.49 0.82 0.00 0.00 0.00 179.25 180.03 1chq h ILE 65 N 0.20 1.30 -0.50 0.00 2.04 -1.19 -1.26 117.51 118.10 1chq h ILE 65 Ca 0.02 -1.70 -0.05 0.00 1.00 0.00 0.00 64.86 64.13 1chq h ILE 65 Cb 0.73 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1chq h ILE 65 CO 0.06 0.54 0.12 -0.33 0.00 0.00 0.00 178.15 178.53 1chq h GLU 66 N 0.47 0.80 -0.48 2.37 4.39 -1.11 -2.56 114.58 118.46 1chq h GLU 66 Ca 0.00 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.54 1chq h GLU 66 Cb 1.10 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1chq h GLU 66 CO 0.11 0.78 0.26 -0.09 -1.16 0.00 0.00 179.01 178.91 1chq h ARG 67 N 0.69 0.50 -1.00 2.33 2.43 -1.23 -1.88 114.38 116.22 1chq h ARG 67 Ca 0.16 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1chq h ARG 67 Cb 0.34 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.70 1chq h ARG 67 CO 0.00 0.33 0.64 1.98 -1.51 0.00 0.00 179.97 181.41 1chq h MET 68 N 0.51 1.06 -0.46 0.20 4.05 -0.90 0.58 114.93 119.97 1chq h MET 68 Ca 0.21 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1chq h MET 68 Cb 0.09 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 1chq h MET 68 CO -0.13 0.70 0.01 0.87 0.23 0.00 0.00 176.91 178.60 1chq h LYS 69 N 1.09 0.74 -0.11 0.39 1.57 -0.97 -0.50 116.57 118.79 1chq h LYS 69 Ca 0.46 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1chq h LYS 69 Cb 0.31 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1chq h LYS 69 CO -0.21 0.75 -0.03 -0.44 -0.57 0.00 0.00 179.45 178.94 1chq h ASP 70 N 0.70 0.22 -0.99 0.86 3.32 -0.67 0.03 116.42 119.90 1chq h ASP 70 Ca 0.14 -0.38 0.05 0.00 0.02 0.00 0.00 57.03 56.86 1chq h ASP 70 Cb 0.41 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 1chq h ASP 70 CO 0.02 0.54 0.64 0.74 -1.72 0.00 0.00 179.24 179.46 1chq h THR 71 N -0.11 1.14 -0.10 0.35 2.02 -0.55 0.09 112.91 115.74 1chq h THR 71 Ca 0.03 -0.42 -0.24 0.00 0.77 0.00 0.00 66.41 66.56 1chq h THR 71 Cb 0.45 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1chq h THR 71 CO 0.01 0.22 -0.87 -0.07 0.37 0.00 0.00 175.52 175.19 1chq h LEU 72 N 1.21 0.92 0.11 2.58 3.38 -0.97 0.22 115.31 122.76 1chq h LEU 72 Ca 0.41 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1chq h LEU 72 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1chq h LEU 72 CO -0.14 1.45 -0.05 -0.09 0.09 0.00 0.00 178.44 179.69 1chq h ARG 73 N 0.49 -0.14 -0.56 1.13 2.43 -0.57 -0.55 114.38 116.60 1chq h ARG 73 Ca -0.08 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1chq h ARG 73 Cb 1.50 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.06 1chq h ARG 73 CO 0.17 -0.02 -0.01 0.97 -1.51 0.00 0.00 179.97 179.57 1chq h ILE 74 N -0.24 1.26 -0.28 1.20 6.09 -1.03 -1.27 117.51 123.25 1chq h ILE 74 Ca -0.02 -1.13 -0.02 0.00 -1.37 0.00 0.00 64.86 62.33 1chq h ILE 74 Cb 0.19 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 38.31 1chq h ILE 74 CO 0.03 0.41 0.09 0.00 -3.07 0.00 0.00 178.15 175.60 1chq h ALA 75 N 1.08 1.65 0.16 0.18 0.00 -0.84 0.05 119.26 121.54 1chq h ALA 75 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1chq h ALA 75 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1chq h ALA 75 CO 0.03 0.28 -0.08 -0.92 0.00 0.00 0.00 179.25 178.56 1chq h TYR 76 N 0.39 -0.20 -0.25 0.00 3.20 -0.47 -0.10 116.97 119.53 1chq h TYR 76 Ca 0.10 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1chq h TYR 76 Cb 0.11 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1chq h TYR 76 CO 0.00 0.23 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.61 1chq h LEU 77 N -0.75 0.38 -0.60 2.82 3.38 -0.97 -1.95 115.31 117.62 1chq h LEU 77 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1chq h LEU 77 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1chq h LEU 77 CO 0.04 0.50 -0.00 0.35 0.09 0.00 0.00 178.44 179.41 1chq n THR 78 N -4.26 0.00 -3.30 0.22 -2.24 -0.02 -4.93 114.28 99.74 1chq n THR 78 Ca 0.00 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.39 1chq n THR 78 Cb 0.27 0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1chq n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1chq n GLU 79 N -0.27 -4.83 -2.24 -0.78 1.02 -0.73 -4.95 120.64 107.86 1chq n GLU 79 Ca 0.21 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.68 1chq n GLU 79 Cb 0.26 -5.57 -0.02 0.00 -0.02 0.00 0.00 31.44 26.09 1chq n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1chq s ALA 80 N -3.13 3.31 -0.35 0.62 0.00 -0.10 -4.84 121.76 117.27 1chq s ALA 80 Ca 0.41 1.08 -0.29 0.00 0.00 0.00 0.00 51.96 53.16 1chq s ALA 80 Cb -0.20 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.53 1chq s ALA 80 CO 0.51 -0.54 1.06 0.21 0.00 0.00 0.00 175.76 177.00 1chq s LYS 81 N -2.00 3.99 -0.06 0.00 2.20 -1.26 -4.30 119.74 118.30 1chq s LYS 81 Ca 0.53 0.93 -0.24 0.00 -0.36 0.00 0.00 55.97 56.83 1chq s LYS 81 Cb -0.35 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 1chq s LYS 81 CO 0.45 -0.98 0.71 0.54 -0.36 0.00 0.00 175.35 175.71 1chq s VAL 82 N 3.75 5.03 0.00 4.02 0.11 0.87 -3.15 120.40 131.02 1chq s VAL 82 Ca 0.45 1.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.97 1chq s VAL 82 Cb -0.11 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.68 1chq s VAL 82 CO 0.18 0.25 0.02 1.21 -3.33 0.00 0.00 175.10 173.44 1chq n GLU 83 N 3.73 0.00 -4.32 1.54 2.13 0.42 -0.71 120.64 123.42 1chq n GLU 83 Ca -0.01 0.18 -0.19 0.00 0.66 0.00 0.00 57.16 57.79 1chq n GLU 83 Cb 0.51 -0.70 -0.11 0.00 0.27 0.00 0.00 31.44 31.42 1chq n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1chq s LYS 84 N -0.40 1.26 -0.05 5.31 1.02 -1.23 0.59 119.74 126.24 1chq s LYS 84 Ca 0.00 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 54.54 1chq s LYS 84 Cb 0.00 -1.15 0.01 0.00 -0.52 0.00 0.00 37.83 36.17 1chq s LYS 84 CO 0.00 0.21 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.00 1chq s LEU 85 N -2.97 1.72 -0.30 3.17 1.43 -0.51 -2.29 118.68 118.93 1chq s LEU 85 Ca 0.18 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 1chq s LEU 85 Cb -0.03 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 1chq s LEU 85 CO 0.06 0.06 0.17 0.00 0.23 0.00 0.00 176.35 176.87 1chq s VAL 87 N 1.68 1.52 -0.44 0.00 -7.23 0.26 0.95 120.40 117.13 1chq s VAL 87 Ca 0.06 -1.60 -0.24 0.00 -1.81 0.00 0.00 61.98 58.39 1chq s VAL 87 Cb -0.17 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.30 1chq s VAL 87 CO 0.08 -0.22 0.82 0.26 -0.31 0.00 0.00 175.10 175.72 1chq s TRP 88 N -1.58 3.00 -1.89 2.82 0.51 0.13 -0.50 118.94 121.44 1chq s TRP 88 Ca 0.07 0.28 0.14 0.00 -2.12 0.00 0.00 56.10 54.47 1chq s TRP 88 Cb -0.08 -3.68 0.42 0.00 -0.81 0.00 0.00 33.47 29.31 1chq s TRP 88 CO 0.04 -0.97 1.34 0.27 -0.51 0.00 0.00 176.95 177.12 1chq n ASN 89 N 6.76 2.60 -0.24 2.95 0.23 -0.02 -1.96 115.26 125.58 1chq n ASN 89 Ca 0.03 -2.05 0.14 0.00 -0.53 0.00 0.00 54.58 52.18 1chq n ASN 89 Cb 0.48 -0.33 0.58 0.00 -2.08 0.00 0.00 39.78 38.43 1chq n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1chq n ASN 90 N 0.82 0.84 -4.48 0.53 6.94 -1.26 -4.84 115.26 113.81 1chq n ASN 90 Ca 0.16 -0.98 -0.24 0.00 -0.02 0.00 0.00 54.58 53.49 1chq n ASN 90 Cb 0.43 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.75 1chq n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1chq s LYS 91 N -2.27 1.70 -0.05 -3.83 -0.14 -1.25 -5.13 119.74 108.76 1chq s LYS 91 Ca 0.33 -1.81 -0.02 0.00 -1.36 0.00 0.00 55.97 53.11 1chq s LYS 91 Cb 0.20 -1.70 0.04 0.00 -1.68 0.00 0.00 37.83 34.69 1chq s LYS 91 CO 0.43 0.26 0.09 0.99 -0.76 0.00 0.00 175.35 176.35 1chq s THR 92 N -2.58 -0.15 0.63 2.17 2.01 -1.26 -3.42 115.64 113.04 1chq s THR 92 Ca 0.30 0.40 -0.17 0.00 0.31 0.00 0.00 61.69 62.53 1chq s THR 92 Cb -0.02 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 1chq s THR 92 CO 0.15 0.16 1.18 -2.84 -0.69 0.00 0.00 174.62 172.58 1chq s PRO 93 N 2.20 2.79 0.03 4.92 0.02 -1.26 -5.06 135.00 138.64 1chq s PRO 93 Ca 0.04 1.71 -0.35 0.00 0.02 0.00 0.00 61.00 62.42 1chq s PRO 93 Cb -0.12 -1.92 -0.14 0.00 0.02 0.00 0.00 34.50 32.34 1chq s PRO 93 CO -0.04 -1.32 1.62 0.72 -0.33 0.00 0.00 177.00 177.65 1chq n HIS 94 N -1.97 2.10 -2.84 6.54 8.25 -1.22 -4.40 115.22 121.68 1chq n HIS 94 Ca 0.13 0.31 -0.41 0.00 -0.26 0.00 0.00 57.72 57.49 1chq n HIS 94 Cb 0.50 -2.52 -0.04 0.00 1.12 0.00 0.00 29.99 29.06 1chq n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1chq s ALA 95 N 1.94 3.23 -0.03 -1.41 0.00 -0.83 -1.56 121.76 123.11 1chq s ALA 95 Ca 0.86 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 1chq s ALA 95 Cb -0.79 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 1chq s ALA 95 CO 0.47 -0.18 1.22 0.42 0.00 0.00 0.00 175.76 177.69 1chq s ILE 96 N 0.94 4.15 -0.20 0.00 1.01 -0.59 0.22 121.20 126.73 1chq s ILE 96 Ca 0.46 1.50 0.10 0.00 0.00 0.00 0.00 60.65 62.71 1chq s ILE 96 Cb -0.20 -3.96 -0.19 0.00 0.01 0.00 0.00 42.46 38.12 1chq s ILE 96 CO 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 174.94 175.15 1chq n ALA 97 N 5.00 1.54 -2.84 9.38 0.00 0.27 -4.84 120.51 129.01 1chq n ALA 97 Ca 0.11 -1.10 -0.10 0.00 0.00 0.00 0.00 53.44 52.35 1chq n ALA 97 Cb 0.46 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 1chq n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1chq s ALA 98 N -2.44 -0.65 -0.03 0.00 0.00 -0.83 -4.97 121.76 112.85 1chq s ALA 98 Ca -0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1chq s ALA 98 Cb 0.06 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1chq s ALA 98 CO 0.65 -0.60 0.13 -1.50 0.00 0.00 0.00 175.76 174.44 1chq s ILE 99 N -3.83 0.04 -0.03 0.00 2.07 -1.26 -1.71 121.20 116.48 1chq s ILE 99 Ca 0.04 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 58.99 1chq s ILE 99 Cb 0.03 -0.30 0.01 0.00 0.13 0.00 0.00 42.46 42.33 1chq s ILE 99 CO -0.11 -0.17 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.72 1chq s SER 100 N -0.56 1.20 -0.05 4.50 1.04 -0.97 -5.02 113.70 113.83 1chq s SER 100 Ca -0.06 -0.18 0.07 0.00 0.48 0.00 0.00 55.95 56.25 1chq s SER 100 Cb -0.04 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.70 1chq s SER 100 CO 0.01 0.05 -0.25 -0.04 0.98 0.00 0.00 173.24 173.99 1chq s MET 101 N 0.29 2.41 -0.05 4.02 -1.94 -1.26 -0.44 119.30 122.33 1chq s MET 101 Ca -0.05 -0.91 -0.02 0.00 -1.71 0.00 0.00 55.69 53.00 1chq s MET 101 Cb -0.09 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.65 1chq s MET 101 CO 0.01 0.45 0.11 0.00 -0.01 0.00 0.00 175.02 175.57 1chq s ALA 102 N -0.32 -0.18 -2.00 3.03 0.00 -1.19 -4.88 121.76 116.22 1chq s ALA 102 Ca 0.01 0.49 0.09 0.00 0.00 0.00 0.00 51.96 52.55 1chq s ALA 102 Cb -0.12 -0.33 0.54 0.00 0.00 0.00 0.00 23.12 23.21 1chq s ALA 102 CO 0.02 -0.12 0.99 0.27 0.00 0.00 0.00 175.76 176.92