#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou n SER 3 N 0.00 1.56 -2.69 2.89 7.64 -1.26 -4.84 113.62 116.91 2qou n SER 3 Ca 0.00 1.15 -0.06 0.00 1.01 0.00 0.00 58.87 60.98 2qou n SER 3 Cb 0.00 -0.96 0.07 0.00 -1.01 0.00 0.00 64.21 62.31 2qou n SER 3 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qou n LEU 4 N 4.37 -1.74 0.00 -3.43 0.00 -1.26 -5.09 117.00 109.85 2qou n LEU 4 Ca 0.29 -2.22 0.00 0.00 0.00 0.00 0.00 56.01 54.08 2qou n LEU 4 Cb 0.00 0.66 0.00 0.00 0.00 0.00 0.00 43.42 44.08 2qou n LEU 4 CO 0.86 1.70 0.00 2.29 0.00 0.00 0.00 177.39 182.24 2qou n LYS 5 N 1.48 0.00 -5.28 1.96 -0.00 -1.26 -4.29 118.16 110.77 2qou n LYS 5 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.03 2qou n LYS 5 Cb 0.69 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.56 2qou n LYS 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2qou s LYS 6 N -0.80 2.18 0.00 -1.58 -0.14 -1.26 -4.96 119.74 113.19 2qou s LYS 6 Ca 0.00 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2qou s LYS 6 Cb 0.00 -2.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 2qou s LYS 6 CO 0.00 0.51 0.00 0.41 -0.76 0.00 0.00 175.35 175.51 2qou n GLY 7 N 2.57 0.34 3.72 -3.33 0.00 -1.26 -5.04 105.19 102.18 2qou n GLY 7 Ca -0.16 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 2qou n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qou n PRO 8 N -0.03 2.39 -4.05 1.61 -0.02 -1.26 -4.98 135.00 128.66 2qou n PRO 8 Ca 0.00 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 61.97 2qou n PRO 8 Cb 0.00 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 30.86 2qou n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qou s PHE 9 N -0.38 3.44 -0.30 6.00 2.19 -1.26 -5.06 117.98 122.61 2qou s PHE 9 Ca 0.62 0.41 -0.13 0.00 0.33 0.00 0.00 56.93 58.16 2qou s PHE 9 Cb -0.55 -1.89 0.16 0.00 -1.31 0.00 0.00 43.02 39.43 2qou s PHE 9 CO 0.54 0.64 0.91 0.96 1.83 0.00 0.00 175.22 180.09 2qou s ILE 10 N -0.95 -0.61 0.22 3.12 -5.25 -1.26 -2.48 121.20 114.00 2qou s ILE 10 Ca 0.14 0.00 -0.32 0.00 -0.99 0.00 0.00 60.65 59.48 2qou s ILE 10 Cb -0.12 -1.00 -0.13 0.00 2.95 0.00 0.00 42.46 44.16 2qou s ILE 10 CO 0.03 0.00 1.50 0.47 -1.79 0.00 0.00 174.94 175.16 2qou n ASP 11 N 5.16 3.09 -0.31 4.36 10.43 -1.26 -4.88 116.55 133.14 2qou n ASP 11 Ca -0.09 1.12 -0.02 0.00 2.57 0.00 0.00 54.79 58.37 2qou n ASP 11 Cb 0.52 -1.46 0.13 0.00 1.84 0.00 0.00 41.12 42.15 2qou n ASP 11 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2qou h LEU 12 N 4.93 1.06 0.00 0.64 3.38 -2.01 -2.64 115.31 120.67 2qou h LEU 12 Ca -0.45 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2qou h LEU 12 Cb 1.26 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2qou h LEU 12 CO 0.81 0.83 0.00 1.41 0.09 0.00 0.00 178.44 181.58 2qou n HIS 13 N -4.35 0.00 1.20 1.13 8.25 -1.26 -1.08 115.22 119.10 2qou n HIS 13 Ca 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 2qou n HIS 13 Cb 0.07 -0.19 0.62 0.00 1.12 0.00 0.00 29.99 31.62 2qou n HIS 13 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 2qou n LEU 14 N -1.74 0.00 0.04 2.41 -0.00 -1.25 -3.49 117.00 112.97 2qou n LEU 14 Ca 0.00 0.24 -0.11 0.00 -0.00 0.00 0.00 56.01 56.13 2qou n LEU 14 Cb 0.00 -0.24 -0.08 0.00 -0.00 0.00 0.00 43.42 43.10 2qou n LEU 14 CO 0.00 -0.05 0.45 0.25 -0.00 0.00 0.00 177.39 178.04 2qou h LEU 15 N 0.00 -0.15 -1.62 1.47 6.46 -0.72 -3.21 115.31 117.54 2qou h LEU 15 Ca 0.00 -0.40 0.08 0.00 -0.12 0.00 0.00 57.88 57.44 2qou h LEU 15 Cb 0.18 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.12 2qou h LEU 15 CO 0.00 0.41 0.38 0.11 -0.62 0.00 0.00 178.44 178.72 2qou h LYS 16 N -0.80 0.44 -0.65 1.25 1.79 -1.24 -2.00 116.57 115.36 2qou h LYS 16 Ca -0.02 -0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.58 2qou h LYS 16 Cb 0.54 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2qou h LYS 16 CO 0.03 0.29 0.45 0.87 -1.08 0.00 0.00 179.45 180.01 2qou h LYS 17 N 0.45 0.21 -0.31 3.15 1.57 -1.66 -2.00 116.57 117.98 2qou h LYS 17 Ca 0.26 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 2qou h LYS 17 Cb 0.42 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2qou h LYS 17 CO -0.07 0.14 -0.26 -0.24 -0.57 0.00 0.00 179.45 178.44 2qou h VAL 18 N 0.21 1.30 0.00 0.50 3.04 -1.44 -2.64 116.25 117.22 2qou h VAL 18 Ca 0.32 -1.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 2qou h VAL 18 Cb 0.94 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2qou h VAL 18 CO -0.06 0.46 0.00 1.21 -1.01 0.00 0.00 177.57 178.17 2qou n GLU 19 N -4.26 0.07 0.12 4.17 4.07 -0.78 -1.59 120.64 122.44 2qou n GLU 19 Ca -0.03 0.32 -0.24 0.00 -0.06 0.00 0.00 57.16 57.15 2qou n GLU 19 Cb 0.46 -1.64 -0.15 0.00 -0.06 0.00 0.00 31.44 30.05 2qou n GLU 19 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2qou h LYS 20 N 0.00 0.58 0.06 5.31 3.11 -1.15 -2.99 116.57 121.49 2qou h LYS 20 Ca 0.00 -0.88 -0.25 0.00 -2.81 0.00 0.00 60.65 56.71 2qou h LYS 20 Cb 0.29 0.31 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2qou h LYS 20 CO 0.00 1.41 -1.16 0.00 -2.81 0.00 0.00 179.45 176.89 2qou h ALA 21 N 0.21 0.25 0.36 5.00 0.00 -1.36 -2.99 119.26 120.72 2qou h ALA 21 Ca -0.22 -0.93 -0.02 0.00 0.00 0.00 0.00 54.91 53.74 2qou h ALA 21 Cb 2.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2qou h ALA 21 CO 0.26 1.14 -0.17 0.28 0.00 0.00 0.00 179.25 180.75 2qou h VAL 22 N 0.04 0.66 -0.56 0.00 2.07 -1.39 0.52 116.25 117.58 2qou h VAL 22 Ca -0.09 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 2qou h VAL 22 Cb 1.88 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2qou h VAL 22 CO 0.16 0.02 0.03 1.05 0.02 0.00 0.00 177.57 178.85 2qou h GLU 23 N -0.52 0.97 0.00 1.57 -0.00 -1.65 -2.27 114.58 112.68 2qou h GLU 23 Ca -0.05 -0.29 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 2qou h GLU 23 Cb 0.39 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.05 2qou h GLU 23 CO 0.08 0.96 0.00 -1.13 -0.00 0.00 0.00 179.01 178.92 2qou n SER 24 N -4.28 0.00 0.00 3.06 3.41 -1.13 -5.00 113.62 109.69 2qou n SER 24 Ca 0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2qou n SER 24 Cb 0.31 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2qou n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qou n GLY 25 N 1.24 -0.30 3.53 5.00 0.00 0.18 -4.89 105.19 109.94 2qou n GLY 25 Ca 0.13 -1.31 -0.64 0.00 0.00 0.00 0.00 46.02 44.20 2qou n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qou n ASP 26 N -0.35 1.08 0.00 1.61 9.92 -1.12 -4.69 116.55 123.00 2qou n ASP 26 Ca 0.00 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.21 2qou n ASP 26 Cb 0.00 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 2qou n ASP 26 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2qou n LYS 27 N 5.63 0.00 -4.28 -1.24 2.85 -1.26 -5.10 118.16 114.76 2qou n LYS 27 Ca 0.41 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.49 2qou n LYS 27 Cb -0.04 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.23 2qou n LYS 27 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2qou s LYS 28 N 0.11 1.13 0.20 -1.58 0.00 -1.26 -4.99 119.74 113.36 2qou s LYS 28 Ca 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 55.97 54.56 2qou s LYS 28 Cb 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 37.83 36.91 2qou s LYS 28 CO 0.00 0.18 0.16 -0.35 0.00 0.00 0.00 175.35 175.33 2qou n PRO 29 N 0.19 -1.71 -3.65 1.78 -0.04 -1.25 -4.89 135.00 125.43 2qou n PRO 29 Ca -0.13 -0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 62.97 2qou n PRO 29 Cb 0.58 -0.27 -0.05 0.00 -0.04 0.00 0.00 33.50 33.72 2qou n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qou s LEU 30 N 0.00 0.45 0.11 1.53 1.02 -1.26 -5.00 118.68 115.53 2qou s LEU 30 Ca 0.11 -0.27 -0.32 0.00 0.02 0.00 0.00 54.13 53.67 2qou s LEU 30 Cb -0.01 1.78 -0.12 0.00 0.02 0.00 0.00 46.19 47.86 2qou s LEU 30 CO 0.09 -0.81 1.77 0.54 0.02 0.00 0.00 176.35 177.96 2qou n ARG 31 N -0.07 2.55 -4.55 1.70 3.00 -1.26 -3.65 116.66 114.38 2qou n ARG 31 Ca -0.17 0.92 -0.21 0.00 -0.01 0.00 0.00 57.85 58.39 2qou n ARG 31 Cb 0.63 -2.78 -0.15 0.00 0.00 0.00 0.00 32.46 30.16 2qou n ARG 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2qou s THR 32 N 2.36 0.98 0.00 0.55 2.01 -1.02 -4.98 115.64 115.54 2qou s THR 32 Ca 0.82 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2qou s THR 32 Cb -0.56 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.13 2qou s THR 32 CO 0.39 0.27 0.00 0.79 -0.69 0.00 0.00 174.62 175.38 2qou n TRP 33 N 2.75 0.00 -0.74 4.92 8.01 -1.26 0.13 117.44 131.24 2qou n TRP 33 Ca -0.14 0.00 -0.17 0.00 -1.31 0.00 0.00 57.50 55.88 2qou n TRP 33 Cb 0.56 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.80 2qou n TRP 33 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2qou n SER 34 N -0.11 4.55 -0.28 -0.99 7.64 -1.26 -4.59 113.62 118.58 2qou n SER 34 Ca 0.00 -2.25 0.14 0.00 1.01 0.00 0.00 58.87 57.77 2qou n SER 34 Cb 0.00 -1.05 0.41 0.00 -1.01 0.00 0.00 64.21 62.55 2qou n SER 34 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2qou h ARG 35 N 5.15 0.61 0.00 1.43 0.11 -1.90 0.33 114.38 120.10 2qou h ARG 35 Ca 0.36 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.40 2qou h ARG 35 Cb 0.55 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2qou h ARG 35 CO 0.95 0.40 0.00 2.89 0.10 0.00 0.00 179.97 184.31 2qou n ARG 36 N -4.59 0.00 -2.14 0.08 1.85 -1.26 -0.07 116.66 110.53 2qou n ARG 36 Ca 0.19 0.38 -0.42 0.00 -1.00 0.00 0.00 57.85 57.00 2qou n ARG 36 Cb 0.57 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.45 2qou n ARG 36 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2qou s SER 37 N -2.77 6.77 1.14 2.89 0.01 0.12 -4.76 113.70 117.10 2qou s SER 37 Ca 0.00 2.12 -0.13 0.00 1.31 0.00 0.00 55.95 59.26 2qou s SER 37 Cb 0.00 -2.55 0.27 0.00 0.21 0.00 0.00 66.02 63.96 2qou s SER 37 CO 0.01 -0.82 1.04 0.42 0.41 0.00 0.00 173.24 174.29 2qou s THR 38 N 3.25 2.02 0.22 1.44 -4.23 -1.04 -1.16 115.64 116.15 2qou s THR 38 Ca 0.67 0.01 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 2qou s THR 38 Cb -0.31 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 2qou s THR 38 CO 0.26 -0.01 0.19 -0.63 -0.54 0.00 0.00 174.62 173.89 2qou s ILE 39 N -2.55 4.52 0.13 2.99 1.01 0.59 -4.64 121.20 123.24 2qou s ILE 39 Ca 0.68 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2qou s ILE 39 Cb -0.24 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2qou s ILE 39 CO 0.63 -0.28 -0.09 -0.36 0.00 0.00 0.00 174.94 174.85 2qou s PHE 40 N -2.01 1.14 0.10 3.97 0.40 -1.25 -4.17 117.98 116.15 2qou s PHE 40 Ca 0.32 -0.79 0.33 0.00 -0.60 0.00 0.00 56.93 56.19 2qou s PHE 40 Cb -0.09 -0.60 1.57 0.00 0.51 0.00 0.00 43.02 44.41 2qou s PHE 40 CO 0.25 0.01 1.99 -1.00 0.70 0.00 0.00 175.22 177.17 2qou h PRO 41 N 2.92 0.00 0.03 0.24 0.13 -1.89 -2.62 132.00 130.81 2qou h PRO 41 Ca -0.36 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.46 2qou h PRO 41 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2qou h PRO 41 CO 0.63 0.00 -1.78 0.27 -0.23 0.00 0.00 178.00 176.88 2qou n ASN 42 N -2.79 1.19 0.32 1.44 0.23 -1.26 -3.88 115.26 110.52 2qou n ASN 42 Ca -0.00 0.36 0.22 0.00 -0.53 0.00 0.00 54.58 54.62 2qou n ASN 42 Cb 0.18 -0.26 1.09 0.00 -2.08 0.00 0.00 39.78 38.71 2qou n ASN 42 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2qou h MET 43 N 0.02 0.00 -6.22 -3.83 2.86 -1.83 -3.45 114.93 102.47 2qou h MET 43 Ca -0.32 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.73 2qou h MET 43 Cb 2.02 0.00 0.18 0.00 0.06 0.00 0.00 31.60 33.86 2qou h MET 43 CO 0.08 0.00 -0.90 1.51 1.06 0.00 0.00 176.91 178.66 2qou n ILE 44 N -3.08 0.86 -3.90 -1.22 3.06 -1.21 -2.49 119.36 111.38 2qou n ILE 44 Ca -0.02 -0.49 -0.30 0.00 -2.50 0.00 0.00 62.75 59.44 2qou n ILE 44 Cb 0.13 -0.28 0.03 0.00 0.54 0.00 0.00 39.64 40.05 2qou n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qou n GLY 45 N 2.27 -0.49 3.37 4.50 0.00 0.32 -4.81 105.19 110.35 2qou n GLY 45 Ca 0.08 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2qou n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qou s LEU 46 N -7.27 2.39 -0.12 0.99 2.01 -1.04 -4.86 118.68 110.79 2qou s LEU 46 Ca 0.64 -0.36 -0.29 0.00 0.01 0.00 0.00 54.13 54.13 2qou s LEU 46 Cb -0.32 -1.46 -0.03 0.00 0.01 0.00 0.00 46.19 44.39 2qou s LEU 46 CO 0.83 0.29 1.32 0.42 1.01 0.00 0.00 176.35 180.22 2qou s THR 47 N -0.44 4.13 0.04 5.49 -4.23 -1.26 -3.08 115.64 116.28 2qou s THR 47 Ca 0.05 1.39 0.01 0.00 -1.18 0.00 0.00 61.69 61.96 2qou s THR 47 Cb -0.12 -3.90 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 2qou s THR 47 CO 0.01 -0.09 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.33 2qou s ILE 48 N 3.25 0.28 -0.48 2.99 1.01 -0.41 -3.87 121.20 123.97 2qou s ILE 48 Ca 0.58 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2qou s ILE 48 Cb -0.25 -0.62 0.17 0.00 0.01 0.00 0.00 42.46 41.77 2qou s ILE 48 CO 0.19 -0.56 0.39 0.00 0.00 0.00 0.00 174.94 174.96 2qou n ALA 49 N 1.25 2.99 -1.77 9.38 0.00 -1.23 0.07 120.51 131.20 2qou n ALA 49 Ca -0.21 -3.47 -0.39 0.00 0.00 0.00 0.00 53.44 49.37 2qou n ALA 49 Cb 0.56 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 2qou n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qou s VAL 50 N -0.37 2.65 -0.20 0.00 1.01 -0.70 -2.44 120.40 120.34 2qou s VAL 50 Ca 0.31 0.58 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 2qou s VAL 50 Cb 0.03 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2qou s VAL 50 CO -0.19 0.08 1.34 -2.28 0.00 0.00 0.00 175.10 174.05 2qou s HIS 51 N -1.27 2.66 0.00 5.22 2.46 0.34 0.45 115.29 125.16 2qou s HIS 51 Ca 0.57 0.86 0.00 0.00 0.47 0.00 0.00 55.06 56.96 2qou s HIS 51 Cb -0.38 -3.69 0.00 0.00 -0.13 0.00 0.00 32.58 28.38 2qou s HIS 51 CO 0.48 -1.99 0.00 0.27 -2.47 0.00 0.00 174.74 171.04 2qou n ASN 52 N 7.11 0.00 0.00 9.88 6.94 0.64 -4.90 115.26 134.93 2qou n ASN 52 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.71 2qou n ASN 52 Cb 0.45 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 2qou n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qou n GLY 53 N 2.82 0.00 0.00 4.83 0.00 -1.26 -4.80 105.19 106.78 2qou n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qou n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qou n ARG 54 N -1.28 0.07 0.00 1.61 -4.01 -1.26 -5.13 116.66 106.66 2qou n ARG 54 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2qou n ARG 54 Cb 0.22 -0.56 0.00 0.00 -3.04 0.00 0.00 32.46 29.07 2qou n ARG 54 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2qou n GLN 55 N -1.50 3.66 -4.48 2.89 1.13 -1.26 -5.11 117.38 112.71 2qou n GLN 55 Ca 0.00 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.81 2qou n GLN 55 Cb 0.06 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.32 2qou n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2qou s HIS 56 N 1.15 2.40 -0.01 1.08 3.76 -1.26 -0.26 115.29 122.15 2qou s HIS 56 Ca 0.00 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 2qou s HIS 56 Cb 0.00 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.42 2qou s HIS 56 CO 0.00 0.61 -0.13 0.14 -0.85 0.00 0.00 174.74 174.52 2qou s VAL 57 N -2.55 1.01 0.29 -0.90 -7.23 0.17 -4.83 120.40 106.36 2qou s VAL 57 Ca 0.32 -0.54 -0.29 0.00 -1.81 0.00 0.00 61.98 59.66 2qou s VAL 57 Cb -0.01 -0.85 -0.10 0.00 0.56 0.00 0.00 36.38 35.98 2qou s VAL 57 CO 0.17 0.29 1.33 -2.16 -0.31 0.00 0.00 175.10 174.41 2qou s PRO 58 N -0.21 4.35 -0.16 4.82 0.04 -1.25 -1.72 135.00 140.86 2qou s PRO 58 Ca 0.03 2.19 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 2qou s PRO 58 Cb -0.06 -3.11 0.05 0.00 0.04 0.00 0.00 34.50 31.42 2qou s PRO 58 CO -0.00 -0.23 0.50 0.14 0.04 0.00 0.00 177.00 177.45 2qou s VAL 59 N -0.65 0.01 -0.30 -0.36 -7.23 0.11 -4.94 120.40 107.03 2qou s VAL 59 Ca 0.52 -0.05 -0.00 0.00 -1.81 0.00 0.00 61.98 60.64 2qou s VAL 59 Cb -0.39 -0.72 0.06 0.00 0.56 0.00 0.00 36.38 35.88 2qou s VAL 59 CO 0.47 -0.03 -0.01 -0.36 -0.31 0.00 0.00 175.10 174.87 2qou s PHE 60 N -0.01 3.32 0.73 2.82 0.08 -1.26 -1.29 117.98 122.37 2qou s PHE 60 Ca -0.02 -2.09 -0.16 0.00 0.12 0.00 0.00 56.93 54.78 2qou s PHE 60 Cb -0.03 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2qou s PHE 60 CO 0.02 -0.84 0.64 0.28 -0.10 0.00 0.00 175.22 175.21 2qou n VAL 61 N 4.55 1.96 -2.87 -0.44 0.31 -1.18 -4.66 118.33 116.00 2qou n VAL 61 Ca -0.12 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2qou n VAL 61 Cb 0.43 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 2qou n VAL 61 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2qou n THR 62 N -2.45 0.00 0.00 2.52 -1.04 -1.26 0.12 114.28 112.16 2qou n THR 62 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2qou n THR 62 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2qou n THR 62 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2qou n ASP 63 N 0.00 0.00 0.27 8.00 8.00 -1.26 -4.18 116.55 127.38 2qou n ASP 63 Ca 0.00 0.10 0.05 0.00 0.71 0.00 0.00 54.79 55.65 2qou n ASP 63 Cb 0.00 -0.12 0.28 0.00 -0.02 0.00 0.00 41.12 41.26 2qou n ASP 63 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2qou h GLU 64 N 0.00 0.00 0.00 -1.24 -0.00 -2.00 0.74 114.58 112.08 2qou h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2qou h GLU 64 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 2qou h GLU 64 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 179.01 179.53 2qou h MET 65 N 0.00 0.00 0.00 1.06 2.86 -1.96 -3.39 114.93 113.50 2qou h MET 65 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qou h MET 65 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2qou h MET 65 CO 0.00 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.30 2qou n VAL 66 N -2.48 0.00 0.21 -2.22 0.24 0.26 -0.38 118.33 113.96 2qou n VAL 66 Ca 0.02 0.51 0.15 0.00 -2.04 0.00 0.00 64.34 62.98 2qou n VAL 66 Cb 0.25 -0.88 0.61 0.00 -1.47 0.00 0.00 33.84 32.35 2qou n VAL 66 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2qou h GLY 67 N 0.00 0.00 -1.07 7.63 0.00 -1.75 -2.49 103.07 105.39 2qou h GLY 67 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 2qou h GLY 67 CO 0.00 0.00 -0.15 1.42 0.00 0.00 0.00 176.54 177.81 2qou n HIS 68 N -3.06 -2.35 -5.08 5.60 -0.00 0.49 -4.59 115.22 106.22 2qou n HIS 68 Ca 0.03 -0.41 -0.32 0.00 -0.00 0.00 0.00 57.72 57.02 2qou n HIS 68 Cb 0.68 -1.54 -0.16 0.00 -0.00 0.00 0.00 29.99 28.97 2qou n HIS 68 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2qou s LYS 69 N -4.56 3.02 0.51 -0.41 -0.14 -1.26 -0.30 119.74 116.59 2qou s LYS 69 Ca 0.67 -0.82 0.20 0.00 -1.36 0.00 0.00 55.97 54.66 2qou s LYS 69 Cb -0.20 -2.37 1.09 0.00 -1.68 0.00 0.00 37.83 34.68 2qou s LYS 69 CO 0.62 0.26 1.57 -0.07 -0.76 0.00 0.00 175.35 176.96 2qou h LEU 70 N 6.49 0.00 -0.29 3.17 4.07 -0.76 -2.14 115.31 125.86 2qou h LEU 70 Ca -0.25 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 2qou h LEU 70 Cb 1.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 2qou h LEU 70 CO 0.50 0.00 0.16 1.23 -1.08 0.00 0.00 178.44 179.25 2qou h GLY 71 N 0.00 0.43 -2.66 0.83 0.00 -0.73 -3.01 103.07 97.93 2qou h GLY 71 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2qou h GLY 71 CO 0.00 0.18 0.00 -1.84 0.00 0.00 0.00 176.54 174.88 2qou n GLU 72 N -4.83 0.60 -2.01 4.80 0.28 -0.80 -2.93 120.64 115.75 2qou n GLU 72 Ca -0.02 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.00 2qou n GLU 72 Cb 0.07 -1.20 0.04 0.00 1.43 0.00 0.00 31.44 31.77 2qou n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qou n PHE 73 N 1.17 0.52 -2.69 -1.84 3.01 -1.14 -4.96 117.46 111.54 2qou n PHE 73 Ca 0.00 -1.18 -0.01 0.00 1.01 0.00 0.00 57.45 57.27 2qou n PHE 73 Cb 0.30 -0.19 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 2qou n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qou s ALA 74 N -1.59 -4.63 1.01 4.37 0.00 -1.15 -4.90 121.76 114.88 2qou s ALA 74 Ca 0.32 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2qou s ALA 74 Cb 0.36 -3.01 0.20 0.00 0.00 0.00 0.00 23.12 20.67 2qou s ALA 74 CO -0.11 -2.54 1.09 -1.25 0.00 0.00 0.00 175.76 172.95 2qou s PRO 75 N 1.33 0.25 0.01 0.00 0.04 -1.26 -4.76 135.00 130.60 2qou s PRO 75 Ca 0.20 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 2qou s PRO 75 Cb 0.10 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.96 2qou s PRO 75 CO -0.13 -3.04 -0.09 0.25 0.04 0.00 0.00 177.00 174.03 2qou n THR 76 N -4.48 1.15 -1.55 1.26 -2.24 -1.26 -4.64 114.28 102.53 2qou n THR 76 Ca 0.08 0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.94 2qou n THR 76 Cb 0.53 -1.76 -0.09 0.00 -2.10 0.00 0.00 70.33 66.92 2qou n THR 76 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2qou n ARG 77 N -3.68 0.55 -1.63 -0.78 1.85 -1.26 -4.84 116.66 106.86 2qou n ARG 77 Ca -0.06 -0.62 -0.31 0.00 -1.00 0.00 0.00 57.85 55.86 2qou n ARG 77 Cb 0.22 -3.30 -0.04 0.00 -1.05 0.00 0.00 32.46 28.29 2qou n ARG 77 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2qou s THR 78 N 12.63 3.06 -0.11 8.89 2.01 -1.26 -4.93 115.64 135.93 2qou s THR 78 Ca 0.99 0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.88 2qou s THR 78 Cb -0.25 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2qou s THR 78 CO 0.17 -0.15 0.30 -0.47 -0.69 0.00 0.00 174.62 173.78 2qou s TYR 79 N 12.33 3.56 -1.86 4.92 5.04 -1.26 -5.30 117.35 134.77 2qou s TYR 79 Ca 0.92 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 2qou s TYR 79 Cb -0.15 -2.25 0.00 0.00 0.35 0.00 0.00 41.96 39.91 2qou s TYR 79 CO 0.21 0.44 0.47 0.54 -1.34 0.00 0.00 175.55 175.87