#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqi n SER 2 N 0.00 -1.68 -4.33 6.12 7.64 -1.26 -5.08 113.62 115.03 1hqi n SER 2 Ca 0.00 0.38 -0.56 0.00 1.01 0.00 0.00 58.87 59.70 1hqi n SER 2 Cb 0.00 1.83 -0.10 0.00 -1.01 0.00 0.00 64.21 64.93 1hqi n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1hqi n SER 3 N -2.87 1.30 -4.24 6.43 7.64 -1.26 -4.80 113.62 115.83 1hqi n SER 3 Ca 0.00 0.58 -0.17 0.00 1.01 0.00 0.00 58.87 60.29 1hqi n SER 3 Cb 0.00 -1.04 -0.11 0.00 -1.01 0.00 0.00 64.21 62.05 1hqi n SER 3 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1hqi s LEU 4 N 6.47 2.43 0.00 -3.43 0.05 -1.26 0.25 118.68 123.19 1hqi s LEU 4 Ca 1.16 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 54.49 1hqi s LEU 4 Cb -1.25 -0.49 0.00 0.00 -2.05 0.00 0.00 46.19 42.40 1hqi s LEU 4 CO 0.59 -0.19 0.00 1.33 -0.55 0.00 0.00 176.35 177.54 1hqi n VAL 5 N 0.40 0.00 0.00 1.48 0.24 -0.83 -3.81 118.33 115.81 1hqi n VAL 5 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1hqi n VAL 5 Cb 0.58 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1hqi n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hqi n TYR 6 N 0.00 0.00 -4.11 6.34 4.19 0.78 -2.16 117.16 122.20 1hqi n TYR 6 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 1hqi n TYR 6 Cb 0.00 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 39.69 1hqi n TYR 6 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 1hqi s ILE 7 N -0.98 0.34 0.19 2.97 -4.36 -0.59 0.31 121.20 119.08 1hqi s ILE 7 Ca 0.00 -0.18 0.02 0.00 -0.26 0.00 0.00 60.65 60.23 1hqi s ILE 7 Cb 0.00 -0.30 -0.05 0.00 1.25 0.00 0.00 42.46 43.36 1hqi s ILE 7 CO 0.00 0.10 0.00 0.00 0.24 0.00 0.00 174.94 175.29 1hqi s ALA 8 N -0.04 1.44 -0.01 2.27 0.00 -0.11 0.14 121.76 125.45 1hqi s ALA 8 Ca 0.01 -1.63 -0.28 0.00 0.00 0.00 0.00 51.96 50.06 1hqi s ALA 8 Cb -0.02 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.72 1hqi s ALA 8 CO -0.00 -0.31 0.63 -0.06 0.00 0.00 0.00 175.76 176.01 1hqi s PHE 9 N -3.62 -0.58 -0.39 0.00 0.08 -0.96 -0.09 117.98 112.41 1hqi s PHE 9 Ca 0.25 0.91 0.01 0.00 0.12 0.00 0.00 56.93 58.22 1hqi s PHE 9 Cb 0.06 0.39 0.13 0.00 -0.57 0.00 0.00 43.02 43.03 1hqi s PHE 9 CO 0.05 -0.62 0.19 -1.14 -0.10 0.00 0.00 175.22 173.60 1hqi s GLN 10 N -1.60 1.01 0.00 0.44 -0.44 -0.76 -2.29 119.66 116.01 1hqi s GLN 10 Ca -0.09 -1.63 0.00 0.00 -2.50 0.00 0.00 55.36 51.14 1hqi s GLN 10 Cb -0.01 -2.08 0.00 0.00 -1.64 0.00 0.00 33.01 29.28 1hqi s GLN 10 CO 0.06 -1.11 0.00 -3.47 0.50 0.00 0.00 175.29 171.26 1hqi n ASP 11 N 4.01 0.00 0.00 6.67 2.03 -1.26 -2.19 116.55 125.81 1hqi n ASP 11 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1hqi n ASP 11 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1hqi n ASP 11 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1hqi n ASN 12 N 0.00 0.00 0.00 1.67 4.05 -1.26 -4.83 115.26 114.89 1hqi n ASN 12 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1hqi n ASN 12 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1hqi n ASN 12 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1hqi n ASP 13 N 0.00 1.84 -0.10 1.20 5.68 -1.26 -4.83 116.55 119.09 1hqi n ASP 13 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.11 1hqi n ASP 13 Cb 0.00 0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 40.21 1hqi n ASP 13 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1hqi n ASN 14 N -0.78 1.73 -0.49 -1.12 2.85 -1.26 -4.31 115.26 111.88 1hqi n ASN 14 Ca 0.00 0.29 0.42 0.00 -0.11 0.00 0.00 54.58 55.18 1hqi n ASN 14 Cb 0.08 -0.69 0.75 0.00 1.24 0.00 0.00 39.78 41.17 1hqi n ASN 14 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1hqi h ALA 15 N -0.85 3.32 0.50 5.20 0.00 -1.98 -0.31 119.26 125.13 1hqi h ALA 15 Ca -0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1hqi h ALA 15 Cb 1.23 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1hqi h ALA 15 CO -0.21 -1.79 -0.24 0.00 0.00 0.00 0.00 179.25 177.02 1hqi h ARG 16 N 0.03 -0.64 -1.09 0.00 3.08 -1.88 -2.78 114.38 111.11 1hqi h ARG 16 Ca 0.75 0.04 0.30 0.00 0.07 0.00 0.00 59.98 61.14 1hqi h ARG 16 Cb 2.86 0.15 -0.10 0.00 0.08 0.00 0.00 29.97 32.95 1hqi h ARG 16 CO -0.08 -0.43 0.70 1.88 -1.07 0.00 0.00 179.97 180.97 1hqi h TYR 17 N -0.82 0.65 0.38 3.04 -1.99 -1.26 0.04 116.97 117.01 1hqi h TYR 17 Ca -0.07 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1hqi h TYR 17 Cb 0.51 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.03 1hqi h TYR 17 CO 0.06 -0.00 -0.46 0.28 -0.00 0.00 0.00 178.16 178.05 1hqi h VAL 18 N 0.34 0.10 -0.09 -2.88 2.07 -1.20 0.22 116.25 114.80 1hqi h VAL 18 Ca 0.64 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.19 1hqi h VAL 18 Cb 1.70 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1hqi h VAL 18 CO -0.34 0.00 0.18 0.58 0.02 0.00 0.00 177.57 178.02 1hqi h VAL 19 N -0.87 0.23 -0.34 2.57 2.07 -0.74 0.10 116.25 119.27 1hqi h VAL 19 Ca -0.03 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1hqi h VAL 19 Cb 0.79 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1hqi h VAL 19 CO -0.11 0.00 -0.37 -0.08 0.02 0.00 0.00 177.57 177.03 1hqi h GLU 20 N 0.00 0.80 -0.02 1.57 4.81 0.16 -1.98 114.58 119.92 1hqi h GLU 20 Ca 0.04 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 58.77 1hqi h GLU 20 Cb 0.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1hqi h GLU 20 CO -0.00 1.04 -0.44 0.00 -0.73 0.00 0.00 179.01 178.88 1hqi h ALA 21 N 0.91 1.24 0.28 2.92 0.00 0.27 -1.85 119.26 123.03 1hqi h ALA 21 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1hqi h ALA 21 Cb 0.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hqi h ALA 21 CO 0.09 0.56 -0.13 0.82 0.00 0.00 0.00 179.25 180.59 1hqi h ILE 22 N 0.03 0.62 -0.60 0.00 1.08 -1.18 -0.79 117.51 116.66 1hqi h ILE 22 Ca -0.00 -0.82 0.03 0.00 -0.39 0.00 0.00 64.86 63.68 1hqi h ILE 22 Cb 0.79 0.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 1hqi h ILE 22 CO 0.06 0.14 0.40 0.16 -0.69 0.00 0.00 178.15 178.22 1hqi h ILE 23 N -0.89 1.09 -0.24 -0.67 3.07 -1.36 -0.80 117.51 117.71 1hqi h ILE 23 Ca -0.04 -0.25 -0.14 0.00 1.55 0.00 0.00 64.86 65.99 1hqi h ILE 23 Cb 0.51 0.30 -0.01 0.00 -0.27 0.00 0.00 36.82 37.35 1hqi h ILE 23 CO 0.06 0.13 -0.42 -0.61 -1.05 0.00 0.00 178.15 176.27 1hqi h GLN 24 N 0.72 0.57 -0.92 0.16 4.15 -1.32 -2.74 115.11 115.74 1hqi h GLN 24 Ca 0.24 -0.29 0.25 0.00 0.77 0.00 0.00 58.65 59.62 1hqi h GLN 24 Cb 0.07 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 27.63 1hqi h GLN 24 CO -0.06 0.88 0.37 0.22 -1.93 0.00 0.00 178.83 178.31 1hqi h ASP 25 N 0.47 0.24 -3.63 -0.69 3.58 0.39 -3.37 116.42 113.41 1hqi h ASP 25 Ca 0.04 0.18 -0.51 0.00 0.42 0.00 0.00 57.03 57.16 1hqi h ASP 25 Cb 0.92 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 42.14 1hqi h ASP 25 CO 0.08 -0.10 0.36 0.20 -2.88 0.00 0.00 179.24 176.91 1hqi s ASN 26 N -5.08 7.54 -0.17 2.28 0.01 -1.03 -4.92 114.94 113.58 1hqi s ASN 26 Ca -0.11 1.86 -0.03 0.00 -0.71 0.00 0.00 52.86 53.86 1hqi s ASN 26 Cb 0.27 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1hqi s ASN 26 CO 0.78 0.01 2.80 -0.81 -1.51 0.00 0.00 177.10 178.37 1hqi n PRO 27 N 2.32 1.86 0.00 -0.60 -0.04 -1.26 -3.73 135.00 133.55 1hqi n PRO 27 Ca 0.01 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1hqi n PRO 27 Cb 0.48 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1hqi n PRO 27 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1hqi n HIS 28 N 1.52 0.00 -1.49 0.54 -0.00 -1.26 -5.10 115.22 109.43 1hqi n HIS 28 Ca 0.33 0.00 -0.46 0.00 0.46 0.00 0.00 57.72 58.05 1hqi n HIS 28 Cb 0.68 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.53 1hqi n HIS 28 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hqi n ALA 29 N -1.46 -1.61 -2.07 1.57 0.00 -1.24 -4.96 120.51 110.73 1hqi n ALA 29 Ca 0.00 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 1hqi n ALA 29 Cb 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 19.45 17.69 1hqi n ALA 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hqi s VAL 30 N -1.04 2.23 0.03 0.00 1.01 -1.25 -4.90 120.40 116.48 1hqi s VAL 30 Ca 0.61 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1hqi s VAL 30 Cb -0.81 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1hqi s VAL 30 CO 0.58 0.00 0.02 -0.69 0.00 0.00 0.00 175.10 175.01 1hqi s VAL 31 N -2.63 0.15 0.00 2.92 1.01 -1.26 -4.46 120.40 116.13 1hqi s VAL 31 Ca 0.58 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1hqi s VAL 31 Cb -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1hqi s VAL 31 CO 0.36 -0.68 0.00 1.67 0.00 0.00 0.00 175.10 176.45 1hqi n GLN 32 N 0.87 0.00 -2.77 2.72 0.00 -1.26 -4.96 117.38 111.99 1hqi n GLN 32 Ca -0.19 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.59 1hqi n GLN 32 Cb 0.58 0.00 0.08 0.00 0.00 0.00 0.00 30.24 30.90 1hqi n GLN 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1hqi s HIS 33 N -0.83 1.74 0.23 3.69 2.46 -1.26 -4.95 115.29 116.37 1hqi s HIS 33 Ca 0.00 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.12 1hqi s HIS 33 Cb 0.00 -2.67 0.00 0.00 -0.13 0.00 0.00 32.58 29.78 1hqi s HIS 33 CO 0.00 -1.35 0.00 0.72 -2.47 0.00 0.00 174.74 171.64 1hqi n HIS 34 N -2.52 -2.87 0.00 3.88 8.25 -1.07 -4.47 115.22 116.41 1hqi n HIS 34 Ca 0.14 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 1hqi n HIS 34 Cb 0.61 1.76 0.00 0.00 1.12 0.00 0.00 29.99 33.48 1hqi n HIS 34 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1hqi n PRO 35 N -3.04 0.00 0.00 -0.41 -0.01 -1.26 -4.39 135.00 125.88 1hqi n PRO 35 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 63.50 63.73 1hqi n PRO 35 Cb 0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 33.50 32.28 1hqi n PRO 35 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1hqi n ALA 36 N -1.21 0.00 -3.50 3.55 0.00 -1.26 -4.89 120.51 113.21 1hqi n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqi n ALA 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hqi n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqi n MET 37 N 0.00 2.33 -3.83 0.00 0.00 -1.26 -4.99 117.12 109.37 1hqi n MET 37 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1hqi n MET 37 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.07 1hqi n MET 37 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1hqi s ILE 38 N -0.05 1.28 0.65 3.17 -4.36 -0.97 -2.60 121.20 118.32 1hqi s ILE 38 Ca 0.00 -1.55 -0.05 0.00 -0.26 0.00 0.00 60.65 58.79 1hqi s ILE 38 Cb 0.00 -1.89 0.05 0.00 1.25 0.00 0.00 42.46 41.87 1hqi s ILE 38 CO 0.00 -0.55 0.94 -0.13 0.24 0.00 0.00 174.94 175.44 1hqi s ARG 39 N 1.43 2.37 0.14 0.37 1.81 -1.26 -2.28 118.95 121.53 1hqi s ARG 39 Ca 0.07 -0.34 -0.04 0.00 -1.72 0.00 0.00 55.73 53.70 1hqi s ARG 39 Cb -0.18 -2.26 -0.03 0.00 -0.45 0.00 0.00 34.95 32.04 1hqi s ARG 39 CO -0.18 -1.05 0.13 0.42 -0.68 0.00 0.00 175.30 173.95 1hqi s ILE 40 N -3.10 0.10 -0.01 1.52 1.01 0.38 -4.07 121.20 117.02 1hqi s ILE 40 Ca 0.59 -1.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 1hqi s ILE 40 Cb -0.11 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1hqi s ILE 40 CO 0.43 -0.44 0.12 -1.61 0.00 0.00 0.00 174.94 173.44 1hqi s GLU 41 N -4.01 0.37 0.08 2.79 2.02 -1.26 -1.54 118.70 117.16 1hqi s GLU 41 Ca 0.20 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.93 1hqi s GLU 41 Cb 0.06 0.16 -0.00 0.00 0.10 0.00 0.00 34.13 34.44 1hqi s GLU 41 CO 0.00 -0.08 0.02 0.00 0.02 0.00 0.00 175.26 175.22 1hqi n ALA 42 N 1.89 0.10 -3.19 5.21 0.00 -0.92 -3.97 120.51 119.64 1hqi n ALA 42 Ca -0.20 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.62 1hqi n ALA 42 Cb 0.56 0.26 -0.05 0.00 0.00 0.00 0.00 19.45 20.22 1hqi n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1hqi n GLU 43 N -0.19 0.84 0.00 0.00 1.02 -1.26 -1.97 120.64 119.08 1hqi n GLU 43 Ca -0.02 -3.29 0.00 0.00 -0.02 0.00 0.00 57.16 53.83 1hqi n GLU 43 Cb 0.12 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1hqi n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1hqi n LYS 44 N 0.84 0.00 -4.44 3.49 4.81 0.69 -4.70 118.16 118.85 1hqi n LYS 44 Ca 0.23 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.46 1hqi n LYS 44 Cb 0.60 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.54 1hqi n LYS 44 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1hqi s ARG 45 N -0.48 1.59 0.15 1.64 0.52 -1.26 -2.34 118.95 118.78 1hqi s ARG 45 Ca 0.00 -1.83 0.06 0.00 -0.52 0.00 0.00 55.73 53.44 1hqi s ARG 45 Cb 0.00 -1.05 -0.04 0.00 0.52 0.00 0.00 34.95 34.37 1hqi s ARG 45 CO 0.00 -0.05 -0.13 -0.51 0.02 0.00 0.00 175.30 174.63 1hqi s LEU 46 N -3.46 2.49 -0.15 2.53 1.43 0.11 -4.91 118.68 116.72 1hqi s LEU 46 Ca 0.32 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 1hqi s LEU 46 Cb 0.06 -0.54 0.04 0.00 0.03 0.00 0.00 46.19 45.78 1hqi s LEU 46 CO 0.13 -0.20 0.39 -1.61 0.23 0.00 0.00 176.35 175.29 1hqi s GLU 47 N -3.26 0.46 0.03 1.70 2.02 -1.26 -2.34 118.70 116.05 1hqi s GLU 47 Ca 0.15 0.55 0.01 0.00 0.02 0.00 0.00 54.97 55.70 1hqi s GLU 47 Cb -0.02 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.42 1hqi s GLU 47 CO 0.04 -0.06 -0.04 0.42 0.02 0.00 0.00 175.26 175.64 1hqi s ILE 48 N 0.21 0.23 0.59 -1.63 1.09 -0.03 -4.97 121.20 116.68 1hqi s ILE 48 Ca -0.00 -0.99 0.06 0.00 -1.10 0.00 0.00 60.65 58.62 1hqi s ILE 48 Cb -0.03 -0.41 0.08 0.00 -1.06 0.00 0.00 42.46 41.05 1hqi s ILE 48 CO 0.01 -0.49 0.81 -0.13 -0.10 0.00 0.00 174.94 175.04 1hqi s ARG 49 N -1.60 2.23 0.50 2.79 1.81 -1.26 -2.46 118.95 120.96 1hqi s ARG 49 Ca -0.13 -1.38 0.26 0.00 -1.72 0.00 0.00 55.73 52.77 1hqi s ARG 49 Cb -0.09 -2.57 1.28 0.00 -0.45 0.00 0.00 34.95 33.12 1hqi s ARG 49 CO -0.01 -0.92 1.99 0.07 -0.68 0.00 0.00 175.30 175.75 1hqi h ARG 50 N 0.05 0.00 -0.96 3.54 0.11 -1.91 -2.76 114.38 112.44 1hqi h ARG 50 Ca -0.34 0.00 0.21 0.00 0.10 0.00 0.00 59.98 59.95 1hqi h ARG 50 Cb 1.28 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.25 1hqi h ARG 50 CO 0.42 0.16 0.54 0.93 0.10 0.00 0.00 179.97 182.11 1hqi h GLU 51 N 0.00 0.58 -0.23 0.08 4.39 -1.93 0.23 114.58 117.69 1hqi h GLU 51 Ca -0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1hqi h GLU 51 Cb 0.47 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1hqi h GLU 51 CO 0.02 0.38 0.02 1.15 -1.16 0.00 0.00 179.01 179.43 1hqi h THR 52 N 0.59 1.24 -0.12 1.13 2.02 -1.88 -1.23 112.91 114.67 1hqi h THR 52 Ca 0.59 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1hqi h THR 52 Cb 1.04 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1hqi h THR 52 CO -0.45 0.25 0.22 0.58 0.37 0.00 0.00 175.52 176.50 1hqi h VAL 53 N 0.19 0.24 -0.02 3.16 2.07 -0.73 0.33 116.25 121.49 1hqi h VAL 53 Ca 0.07 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.34 1hqi h VAL 53 Cb 0.35 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1hqi h VAL 53 CO 0.01 0.00 -0.97 -0.08 0.02 0.00 0.00 177.57 176.55 1hqi h GLU 54 N 0.00 0.59 0.21 1.57 4.81 0.10 -2.15 114.58 119.71 1hqi h GLU 54 Ca 0.06 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1hqi h GLU 54 Cb 0.50 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1hqi h GLU 54 CO -0.00 1.23 -0.10 1.49 -0.73 0.00 0.00 179.01 180.90 1hqi h GLU 55 N 0.34 -0.27 -0.60 1.92 4.81 0.10 -2.72 114.58 118.18 1hqi h GLU 55 Ca -0.10 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1hqi h GLU 55 Cb 1.61 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 31.02 1hqi h GLU 55 CO 0.18 0.06 0.40 -0.97 -0.73 0.00 0.00 179.01 177.95 1hqi h ASN 56 N -0.61 0.34 0.45 1.04 -1.24 -1.38 -0.29 115.58 113.89 1hqi h ASN 56 Ca -0.03 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 1hqi h ASN 56 Cb 0.44 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1hqi h ASN 56 CO 0.05 0.20 -0.30 0.25 -1.29 0.00 0.00 177.43 176.34 1hqi h LEU 57 N 0.37 -0.76 0.00 0.34 5.85 -1.09 2.16 115.31 122.18 1hqi h LEU 57 Ca 0.28 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1hqi h LEU 57 Cb 0.59 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1hqi h LEU 57 CO -0.07 -0.46 0.00 0.61 -0.34 0.00 0.00 178.44 178.17 1hqi n GLY 58 N -1.43 -0.94 0.21 3.75 0.00 -0.75 -2.05 105.19 103.97 1hqi n GLY 58 Ca -0.11 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.86 1hqi n GLY 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hqi n ARG 59 N -1.37 2.93 0.00 1.61 0.63 -0.17 -4.59 116.66 115.70 1hqi n ARG 59 Ca 0.06 -1.70 0.07 0.00 -0.92 0.00 0.00 57.85 55.36 1hqi n ARG 59 Cb 0.16 -1.10 0.34 0.00 0.45 0.00 0.00 32.46 32.31 1hqi n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hqi n ALA 60 N -0.19 1.75 -0.07 5.13 0.00 0.71 -2.14 120.51 125.70 1hqi n ALA 60 Ca 0.04 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1hqi n ALA 60 Cb 0.32 -1.23 0.23 0.00 0.00 0.00 0.00 19.45 18.77 1hqi n ALA 60 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1hqi n TRP 61 N -1.34 1.19 -0.17 0.00 -0.00 -1.26 -3.73 117.44 112.12 1hqi n TRP 61 Ca 0.06 -0.41 0.05 0.00 -0.00 0.00 0.00 57.50 57.19 1hqi n TRP 61 Cb 0.12 -0.33 0.14 0.00 -0.00 0.00 0.00 31.31 31.24 1hqi n TRP 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1hqi n ASP 62 N 0.37 2.83 -0.24 5.87 2.03 -0.91 -4.67 116.55 121.84 1hqi n ASP 62 Ca 0.16 -2.02 0.04 0.00 0.52 0.00 0.00 54.79 53.49 1hqi n ASP 62 Cb 0.79 -0.21 0.16 0.00 -0.72 0.00 0.00 41.12 41.14 1hqi n ASP 62 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1hqi h VAL 63 N 1.78 0.52 -0.66 5.18 2.07 -1.80 0.10 116.25 123.44 1hqi h VAL 63 Ca 0.00 -0.09 0.12 0.00 0.82 0.00 0.00 66.70 67.56 1hqi h VAL 63 Cb 0.72 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 1hqi h VAL 63 CO 0.00 0.05 0.19 1.56 0.02 0.00 0.00 177.57 179.39 1hqi h GLN 64 N 0.25 0.32 0.00 1.57 7.50 -1.92 0.43 115.11 123.26 1hqi h GLN 64 Ca 0.39 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.46 1hqi h GLN 64 Cb 0.66 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 1hqi h GLN 64 CO -0.50 0.21 -0.33 1.49 -1.50 0.00 0.00 178.83 178.20 1hqi h GLU 65 N 0.33 0.00 0.00 1.46 4.81 -1.21 -1.87 114.58 118.10 1hqi h GLU 65 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1hqi h GLU 65 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1hqi h GLU 65 CO -0.41 0.33 0.00 0.52 -0.73 0.00 0.00 179.01 178.72 1hqi h MET 66 N 0.00 0.00 0.39 1.92 2.86 0.12 -3.27 114.93 116.95 1hqi h MET 66 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1hqi h MET 66 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1hqi h MET 66 CO 0.04 0.00 -0.19 1.25 1.06 0.00 0.00 176.91 179.08 1hqi h LEU 67 N 0.00 -0.44 -0.15 1.22 7.12 -0.17 -3.33 115.31 119.56 1hqi h LEU 67 Ca 0.00 -0.11 0.02 0.00 0.13 0.00 0.00 57.88 57.92 1hqi h LEU 67 Cb 0.66 0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.87 1hqi h LEU 67 CO 0.00 -0.01 -0.28 0.58 -0.13 0.00 0.00 178.44 178.60 1hqi h VAL 68 N -1.01 0.00 -3.97 1.05 2.07 -1.61 -3.40 116.25 109.38 1hqi h VAL 68 Ca -0.05 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 66.98 1hqi h VAL 68 Cb 0.52 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1hqi h VAL 68 CO 0.09 0.00 0.26 1.51 0.02 0.00 0.00 177.57 179.44 1hqi s ASP 69 N -3.83 6.56 0.35 0.57 1.47 -1.24 -4.97 116.67 115.58 1hqi s ASP 69 Ca -0.08 1.36 0.06 0.00 1.18 0.00 0.00 52.55 55.08 1hqi s ASP 69 Cb 0.04 -2.42 -0.01 0.00 -0.34 0.00 0.00 42.92 40.19 1hqi s ASP 69 CO 0.31 -0.51 0.50 -0.69 0.68 0.00 0.00 175.17 175.46 1hqi s VAL 70 N -2.53 3.94 0.01 2.11 1.01 -0.93 -4.72 120.40 119.30 1hqi s VAL 70 Ca 0.55 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 1hqi s VAL 70 Cb -0.10 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.92 1hqi s VAL 70 CO 0.32 -0.15 0.18 -0.51 0.00 0.00 0.00 175.10 174.94 1hqi s ILE 71 N -2.22 0.09 -0.09 2.22 1.10 -1.26 -1.83 121.20 119.20 1hqi s ILE 71 Ca 0.46 -0.74 -0.30 0.00 -0.51 0.00 0.00 60.65 59.56 1hqi s ILE 71 Cb -0.10 -0.64 0.10 0.00 0.15 0.00 0.00 42.46 41.98 1hqi s ILE 71 CO 0.32 -0.41 0.86 -0.89 -2.11 0.00 0.00 174.94 172.71 1hqi s THR 72 N -1.82 0.00 0.00 4.00 2.01 0.87 -4.82 115.64 115.88 1hqi s THR 72 Ca -0.11 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.68 1hqi s THR 72 Cb -0.05 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.51 1hqi s THR 72 CO -0.00 0.00 0.48 -0.51 -0.69 0.00 0.00 174.62 173.90 1hqi s ILE 73 N -1.54 0.04 0.00 1.82 -1.16 -1.24 -0.93 121.20 118.18 1hqi s ILE 73 Ca -0.04 -0.29 0.00 0.00 -0.51 0.00 0.00 60.65 59.81 1hqi s ILE 73 Cb -0.00 -0.87 0.00 0.00 0.61 0.00 0.00 42.46 42.20 1hqi s ILE 73 CO 0.02 -0.16 0.00 0.61 -2.81 0.00 0.00 174.94 172.60 1hqi n GLY 74 N 0.83 0.25 0.00 1.50 0.00 0.93 -4.29 105.19 104.41 1hqi n GLY 74 Ca -0.20 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hqi n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqi n GLY 75 N 0.00 0.36 0.00 -0.02 0.00 -1.24 0.28 105.19 104.57 1hqi n GLY 75 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1hqi n GLY 75 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hqi n ASN 76 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.02 115.26 115.74 1hqi n ASN 76 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1hqi n ASN 76 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1hqi n ASN 76 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1hqi n VAL 77 N 0.00 0.00 -3.76 3.44 3.14 -1.26 -4.92 118.33 114.97 1hqi n VAL 77 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 1hqi n VAL 77 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 1hqi n VAL 77 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1hqi s ASP 78 N 0.00 6.14 -0.01 6.55 1.01 -0.09 -5.00 116.67 125.27 1hqi s ASP 78 Ca 0.00 0.21 0.06 0.00 0.71 0.00 0.00 52.55 53.53 1hqi s ASP 78 Cb 0.00 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.84 1hqi s ASP 78 CO 0.00 0.18 -0.19 -1.83 0.21 0.00 0.00 175.17 173.54 1hqi s GLU 79 N 0.37 1.52 0.00 8.23 -1.05 -1.26 -1.60 118.70 124.91 1hqi s GLU 79 Ca 0.07 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1hqi s GLU 79 Cb -0.11 -1.47 0.00 0.00 -0.44 0.00 0.00 34.13 32.11 1hqi s GLU 79 CO -0.02 0.40 0.00 -0.25 0.95 0.00 0.00 175.26 176.35 1hqi n ASP 80 N 2.62 0.00 -0.06 0.83 9.92 -1.24 -5.02 116.55 123.61 1hqi n ASP 80 Ca -0.15 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.05 1hqi n ASP 80 Cb 0.54 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.99 1hqi n ASP 80 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hqi n ASP 81 N 0.00 1.60 0.00 -2.24 2.03 -1.26 -4.92 116.55 111.76 1hqi n ASP 81 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1hqi n ASP 81 Cb 0.00 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1hqi n ASP 81 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1hqi n ASP 82 N -4.09 2.98 -4.66 1.67 -0.08 -1.26 -5.06 116.55 106.04 1hqi n ASP 82 Ca -0.10 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.89 1hqi n ASP 82 Cb 0.37 0.28 0.18 0.00 2.34 0.00 0.00 41.12 44.29 1hqi n ASP 82 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1hqi s ARG 83 N -1.61 0.46 -0.05 -0.67 3.52 -1.26 -4.37 118.95 114.97 1hqi s ARG 83 Ca 0.00 0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 56.23 1hqi s ARG 83 Cb 0.00 -1.73 0.04 0.00 -1.56 0.00 0.00 34.95 31.70 1hqi s ARG 83 CO 0.00 -2.74 0.10 0.12 -0.81 0.00 0.00 175.30 171.97 1hqi s PHE 84 N -2.89 -0.07 0.03 5.12 5.36 -1.03 -3.65 117.98 120.85 1hqi s PHE 84 Ca 0.65 0.35 0.01 0.00 -0.96 0.00 0.00 56.93 56.98 1hqi s PHE 84 Cb -0.19 -0.22 -0.02 0.00 -0.34 0.00 0.00 43.02 42.25 1hqi s PHE 84 CO 0.58 -0.16 -0.05 0.54 -1.46 0.00 0.00 175.22 174.68 1hqi s VAL 85 N 1.45 0.26 -0.24 3.12 0.11 -0.63 -0.85 120.40 123.63 1hqi s VAL 85 Ca -0.05 -1.03 -0.18 0.00 -2.93 0.00 0.00 61.98 57.78 1hqi s VAL 85 Cb -0.12 -0.46 0.07 0.00 -1.53 0.00 0.00 36.38 34.33 1hqi s VAL 85 CO -0.05 -0.50 0.61 -0.22 -3.33 0.00 0.00 175.10 171.62 1hqi s LEU 86 N -1.61 -0.49 0.00 2.54 1.98 -0.99 -0.91 118.68 119.20 1hqi s LEU 86 Ca -0.12 1.27 0.00 0.00 -2.89 0.00 0.00 54.13 52.39 1hqi s LEU 86 Cb -0.09 2.09 0.00 0.00 0.66 0.00 0.00 46.19 48.85 1hqi s LEU 86 CO -0.01 -0.22 0.00 -0.62 -1.89 0.00 0.00 176.35 173.61 1hqi n GLU 87 N 3.41 3.71 0.00 1.98 4.71 -1.26 0.09 120.64 133.27 1hqi n GLU 87 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 1hqi n GLU 87 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.00 1hqi n GLU 87 CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 1hqi n TRP 88 N 0.00 0.00 -2.28 -0.32 -0.00 -0.99 -4.24 117.44 109.61 1hqi n TRP 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1hqi n TRP 88 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.23 1hqi n TRP 88 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1hqi n LYS 89 N -1.01 -5.16 0.00 5.87 4.76 -1.26 -4.00 118.16 117.35 1hqi n LYS 89 Ca 0.00 3.71 0.13 0.00 -2.87 0.00 0.00 58.31 59.27 1hqi n LYS 89 Cb 0.00 -4.48 0.25 0.00 -1.84 0.00 0.00 35.03 28.95 1hqi n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32