#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqo s HIS 2 N 0.00 1.93 0.17 0.54 2.46 -1.25 -0.21 115.29 118.93 1gqo s HIS 2 Ca 0.00 -0.83 0.11 0.00 0.47 0.00 0.00 55.06 54.81 1gqo s HIS 2 Cb 0.00 -1.37 -0.04 0.00 -0.13 0.00 0.00 32.58 31.04 1gqo s HIS 2 CO 0.00 -0.40 -0.23 -0.06 -2.47 0.00 0.00 174.74 171.58 1gqo s PHE 3 N 0.76 2.18 -0.19 3.88 2.99 0.04 -1.53 117.98 126.12 1gqo s PHE 3 Ca -0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 56.93 56.34 1gqo s PHE 3 Cb -0.16 -1.10 -0.05 0.00 0.00 0.00 0.00 43.02 41.72 1gqo s PHE 3 CO 0.02 0.43 0.11 -1.17 -0.00 0.00 0.00 175.22 174.61 1gqo s LEU 4 N -2.54 4.11 -0.37 -0.37 0.20 -0.97 -1.19 118.68 117.55 1gqo s LEU 4 Ca 0.18 0.21 -0.08 0.00 0.69 0.00 0.00 54.13 55.14 1gqo s LEU 4 Cb -0.08 -2.05 0.05 0.00 -0.43 0.00 0.00 46.19 43.68 1gqo s LEU 4 CO 0.08 0.21 0.17 -0.63 -0.29 0.00 0.00 176.35 175.89 1gqo s ILE 5 N 0.20 3.99 -0.16 6.68 -1.09 0.39 -1.74 121.20 129.46 1gqo s ILE 5 Ca 0.07 -1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 57.26 1gqo s ILE 5 Cb -0.11 -3.34 -0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1gqo s ILE 5 CO -0.01 -0.31 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.04 1gqo s LEU 6 N 1.41 2.59 -0.08 2.97 0.20 0.90 -1.80 118.68 124.88 1gqo s LEU 6 Ca 0.01 -0.43 0.05 0.00 0.69 0.00 0.00 54.13 54.44 1gqo s LEU 6 Cb -0.21 -1.60 -0.00 0.00 -0.43 0.00 0.00 46.19 43.95 1gqo s LEU 6 CO 0.03 0.08 -0.24 0.20 -0.29 0.00 0.00 176.35 176.13 1gqo s ASN 7 N 0.87 2.98 0.01 3.68 0.01 -0.53 -0.83 114.94 121.14 1gqo s ASN 7 Ca -0.04 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.60 1gqo s ASN 7 Cb -0.15 -1.10 0.00 0.00 0.41 0.00 0.00 41.25 40.41 1gqo s ASN 7 CO -0.00 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1gqo n GLY 8 N 3.26 1.43 3.68 0.66 0.00 0.45 -2.27 105.19 112.40 1gqo n GLY 8 Ca -0.18 -1.97 -0.44 0.00 0.00 0.00 0.00 46.02 43.43 1gqo n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gqo n PRO 9 N -0.07 2.07 0.00 1.61 -0.04 -0.96 -2.66 135.00 134.95 1gqo n PRO 9 Ca 0.00 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1gqo n PRO 9 Cb 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1gqo n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gqo n ASN 10 N 1.48 0.00 -0.19 3.54 3.02 -1.26 -4.54 115.26 117.31 1gqo n ASN 10 Ca 0.08 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.70 1gqo n ASN 10 Cb 0.34 -0.69 0.35 0.00 -0.61 0.00 0.00 39.78 39.16 1gqo n ASN 10 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1gqo h VAL 11 N 0.00 1.02 0.00 2.41 2.07 -1.88 -0.86 116.25 119.01 1gqo h VAL 11 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1gqo h VAL 11 Cb 0.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1gqo h VAL 11 CO 0.00 0.14 0.00 -0.55 0.02 0.00 0.00 177.57 177.18 1gqo h ASN 12 N 0.77 0.00 -0.13 0.57 -1.07 -1.87 -2.72 115.58 111.12 1gqo h ASN 12 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.69 1gqo h ASN 12 Cb 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 1gqo h ASN 12 CO -0.11 0.00 0.00 0.54 0.07 0.00 0.00 177.43 177.93 1gqo n ARG 13 N -2.35 1.92 -1.59 4.14 5.12 -0.33 -4.71 116.66 118.85 1gqo n ARG 13 Ca -0.02 -1.36 -0.51 0.00 -1.93 0.00 0.00 57.85 54.03 1gqo n ARG 13 Cb 0.04 -1.45 -0.05 0.00 -1.16 0.00 0.00 32.46 29.84 1gqo n ARG 13 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1gqo n LEU 14 N 0.61 1.70 0.00 0.55 7.99 -1.03 -2.88 117.00 123.95 1gqo n LEU 14 Ca 0.17 1.12 0.00 0.00 -0.01 0.00 0.00 56.01 57.29 1gqo n LEU 14 Cb 0.42 -1.21 0.00 0.00 -0.11 0.00 0.00 43.42 42.52 1gqo n LEU 14 CO 0.15 -1.06 0.00 0.61 -1.51 0.00 0.00 177.39 175.58 1gqo n GLY 15 N 2.44 2.55 0.00 -0.72 0.00 -1.14 -4.22 105.19 104.09 1gqo n GLY 15 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1gqo n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqo n SER 16 N 0.00 0.03 -3.67 1.61 3.41 -1.14 -4.94 113.62 108.92 1gqo n SER 16 Ca 0.00 0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 58.98 1gqo n SER 16 Cb 0.00 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.51 1gqo n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gqo s ARG 17 N -2.94 0.78 -0.25 4.33 1.70 -1.26 -5.08 118.95 116.22 1gqo s ARG 17 Ca 0.16 -0.44 -0.05 0.00 -0.47 0.00 0.00 55.73 54.93 1gqo s ARG 17 Cb 0.19 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1gqo s ARG 17 CO 0.53 -0.36 0.23 -0.85 -1.08 0.00 0.00 175.30 173.77 1gqo n GLU 18 N -0.50 -0.62 0.16 3.89 0.28 -1.26 -4.86 120.64 117.73 1gqo n GLU 18 Ca -0.07 0.36 0.01 0.00 -0.16 0.00 0.00 57.16 57.30 1gqo n GLU 18 Cb 0.62 -0.78 0.25 0.00 1.43 0.00 0.00 31.44 32.96 1gqo n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1gqo h PRO 19 N 0.61 0.00 -0.57 3.44 0.13 -1.95 -2.89 132.00 130.78 1gqo h PRO 19 Ca -0.23 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1gqo h PRO 19 Cb 0.52 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.57 1gqo h PRO 19 CO 0.12 0.51 0.14 0.93 -0.23 0.00 0.00 178.00 179.47 1gqo h GLU 20 N 0.00 0.27 0.25 0.86 3.07 -1.90 1.67 114.58 118.80 1gqo h GLU 20 Ca -0.01 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1gqo h GLU 20 Cb 0.95 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1gqo h GLU 20 CO 0.07 0.18 -0.12 0.28 -1.40 0.00 0.00 179.01 178.02 1gqo h VAL 21 N 0.28 0.72 0.00 3.13 2.07 -1.93 -3.39 116.25 117.13 1gqo h VAL 21 Ca 0.30 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1gqo h VAL 21 Cb 0.41 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1gqo h VAL 21 CO -0.36 0.15 -1.29 0.49 0.02 0.00 0.00 177.57 176.59 1gqo n PHE 22 N -5.04 0.00 0.00 1.57 3.01 -1.10 -4.19 117.46 111.71 1gqo n PHE 22 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1gqo n PHE 22 Cb 0.26 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1gqo n PHE 22 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqo n GLY 23 N 1.43 2.12 0.20 1.37 0.00 0.57 -4.82 105.19 106.06 1gqo n GLY 23 Ca 0.00 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.15 1gqo n GLY 23 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gqo h ARG 24 N 0.00 0.00 -7.41 1.61 2.47 -1.96 -3.39 114.38 105.69 1gqo h ARG 24 Ca 0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 1gqo h ARG 24 Cb 0.00 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 28.43 1gqo h ARG 24 CO 0.00 0.00 0.35 -0.65 0.56 0.00 0.00 179.97 180.23 1gqo s GLN 25 N -3.21 2.22 0.54 0.04 -0.21 -1.26 -4.77 119.66 113.02 1gqo s GLN 25 Ca 0.07 0.64 0.07 0.00 0.02 0.00 0.00 55.36 56.17 1gqo s GLN 25 Cb 0.07 -1.93 0.05 0.00 1.00 0.00 0.00 33.01 32.19 1gqo s GLN 25 CO 0.65 -1.53 0.53 0.95 -2.12 0.00 0.00 175.29 173.77 1gqo s THR 26 N -3.17 1.90 0.20 -0.19 -4.23 -1.26 -2.90 115.64 105.99 1gqo s THR 26 Ca 0.60 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1gqo s THR 26 Cb -0.14 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1gqo s THR 26 CO 0.54 0.00 1.54 0.25 -0.54 0.00 0.00 174.62 176.41 1gqo h LEU 27 N 0.59 0.68 -0.59 4.79 5.85 -1.83 -2.38 115.31 122.43 1gqo h LEU 27 Ca -0.35 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 57.95 1gqo h LEU 27 Cb 1.30 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1gqo h LEU 27 CO 0.52 1.03 -0.01 0.74 -0.34 0.00 0.00 178.44 180.38 1gqo h THR 28 N 0.51 1.27 -0.89 1.05 2.02 -1.94 0.02 112.91 114.94 1gqo h THR 28 Ca 0.03 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1gqo h THR 28 Cb 0.98 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1gqo h THR 28 CO 0.09 0.42 0.56 0.44 0.37 0.00 0.00 175.52 177.40 1gqo h ASP 29 N 0.94 1.05 -0.61 4.18 3.32 -1.88 -0.10 116.42 123.31 1gqo h ASP 29 Ca 0.16 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1gqo h ASP 29 Cb 0.57 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1gqo h ASP 29 CO 0.03 0.79 0.06 0.40 -1.72 0.00 0.00 179.24 178.80 1gqo h ILE 30 N 1.22 1.26 -0.85 0.35 2.04 -1.00 -1.79 117.51 118.73 1gqo h ILE 30 Ca 0.32 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.14 1gqo h ILE 30 Cb -0.09 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1gqo h ILE 30 CO -0.07 0.39 0.56 -0.08 0.00 0.00 0.00 178.15 178.95 1gqo h GLU 31 N 0.95 1.07 -0.31 2.37 4.81 -0.25 0.16 114.58 123.37 1gqo h GLU 31 Ca 0.18 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1gqo h GLU 31 Cb 0.48 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1gqo h GLU 31 CO 0.02 0.71 0.12 1.15 -0.73 0.00 0.00 179.01 180.27 1gqo h THR 32 N 1.10 1.19 -0.55 0.32 2.02 -0.63 -1.39 112.91 114.96 1gqo h THR 32 Ca 0.33 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1gqo h THR 32 Cb -0.04 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1gqo h THR 32 CO -0.10 0.20 0.14 0.44 0.37 0.00 0.00 175.52 176.57 1gqo h ASP 33 N 0.35 0.79 0.54 4.18 5.19 -0.70 -1.25 116.42 125.52 1gqo h ASP 33 Ca 0.10 -0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.30 1gqo h ASP 33 Cb 0.20 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1gqo h ASP 33 CO -0.01 0.77 -0.34 -0.07 -3.12 0.00 0.00 179.24 176.47 1gqo h LEU 34 N 0.82 0.00 -0.12 1.55 3.38 -0.49 -1.06 115.31 119.38 1gqo h LEU 34 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1gqo h LEU 34 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1gqo h LEU 34 CO -0.00 0.34 -0.23 -0.26 0.09 0.00 0.00 178.44 178.38 1gqo h PHE 35 N 0.00 0.46 0.35 1.13 0.05 -0.16 1.24 116.94 120.01 1gqo h PHE 35 Ca -0.00 -0.16 -0.00 0.00 3.82 0.00 0.00 57.97 61.62 1gqo h PHE 35 Cb 0.70 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 38.53 1gqo h PHE 35 CO 0.00 0.84 -0.50 1.96 -0.18 0.00 0.00 178.31 180.43 1gqo h GLN 36 N -0.05 -0.86 -0.93 1.51 7.50 -1.05 -1.17 115.11 120.06 1gqo h GLN 36 Ca 0.01 0.06 0.14 0.00 0.50 0.00 0.00 58.65 59.36 1gqo h GLN 36 Cb 0.81 0.19 -0.15 0.00 0.05 0.00 0.00 27.48 28.39 1gqo h GLN 36 CO 0.05 -0.57 -0.36 0.34 -1.50 0.00 0.00 178.83 176.79 1gqo n PHE 37 N -5.41 0.02 -0.01 2.96 7.35 -0.42 0.47 117.46 122.42 1gqo n PHE 37 Ca -0.10 1.15 -0.09 0.00 -0.76 0.00 0.00 57.45 57.64 1gqo n PHE 37 Cb 0.43 -0.85 -0.03 0.00 0.35 0.00 0.00 39.48 39.39 1gqo n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1gqo h ALA 38 N 1.28 -0.03 0.00 3.13 0.00 0.17 0.17 119.26 123.98 1gqo h ALA 38 Ca 0.32 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1gqo h ALA 38 Cb 0.56 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1gqo h ALA 38 CO -0.92 -0.58 -0.59 0.93 0.00 0.00 0.00 179.25 178.09 1gqo h GLU 39 N -0.15 0.00 0.00 0.00 3.07 0.13 0.08 114.58 117.71 1gqo h GLU 39 Ca 0.09 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 1gqo h GLU 39 Cb 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1gqo h GLU 39 CO -0.23 0.59 -0.39 0.00 -1.40 0.00 0.00 179.01 177.58 1gqo h ALA 40 N 1.41 0.95 -0.00 3.43 0.00 -0.66 -1.83 119.26 122.55 1gqo h ALA 40 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1gqo h ALA 40 Cb 1.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1gqo h ALA 40 CO 0.08 0.49 -0.32 -0.11 0.00 0.00 0.00 179.25 179.39 1gqo n LEU 41 N -3.49 0.73 -3.41 0.00 0.00 0.60 -4.94 117.00 106.49 1gqo n LEU 41 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 56.01 55.72 1gqo n LEU 41 Cb 0.54 -0.19 0.07 0.00 0.00 0.00 0.00 43.42 43.84 1gqo n LEU 41 CO 0.37 0.15 0.03 1.41 0.00 0.00 0.00 177.39 179.35 1gqo n HIS 42 N -1.02 -2.25 -4.04 1.96 8.25 -0.07 -5.03 115.22 113.01 1gqo n HIS 42 Ca 0.10 0.85 -0.09 0.00 -0.26 0.00 0.00 57.72 58.31 1gqo n HIS 42 Cb 0.33 -4.43 -0.08 0.00 1.12 0.00 0.00 29.99 26.93 1gqo n HIS 42 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1gqo s ILE 43 N -3.42 0.09 0.08 1.59 -4.36 -0.66 -4.74 121.20 109.78 1gqo s ILE 43 Ca 0.24 -1.62 0.04 0.00 -0.26 0.00 0.00 60.65 59.06 1gqo s ILE 43 Cb -0.04 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 1gqo s ILE 43 CO 0.76 -0.43 0.00 -1.10 0.24 0.00 0.00 174.94 174.42 1gqo s GLN 44 N -3.99 2.60 -0.01 0.37 -0.21 0.71 -4.36 119.66 114.76 1gqo s GLN 44 Ca 0.19 -0.80 0.01 0.00 0.02 0.00 0.00 55.36 54.78 1gqo s GLN 44 Cb 0.05 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.50 1gqo s GLN 44 CO -0.00 0.55 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.17 1gqo s LEU 45 N -2.20 1.86 -0.07 2.90 1.43 -1.26 -0.78 118.68 120.57 1gqo s LEU 45 Ca 0.25 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1gqo s LEU 45 Cb -0.12 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1gqo s LEU 45 CO 0.17 0.03 -0.19 -0.89 0.23 0.00 0.00 176.35 175.70 1gqo s THR 46 N 0.09 2.57 -0.03 5.49 2.01 -0.33 -4.95 115.64 120.49 1gqo s THR 46 Ca -0.01 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1gqo s THR 46 Cb -0.04 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1gqo s THR 46 CO -0.00 0.57 0.08 -0.36 -0.69 0.00 0.00 174.62 174.21 1gqo s PHE 47 N -0.25 3.30 -0.16 4.92 0.40 -1.26 -0.46 117.98 124.47 1gqo s PHE 47 Ca -0.00 0.24 -0.12 0.00 -0.60 0.00 0.00 56.93 56.45 1gqo s PHE 47 Cb -0.13 -1.77 0.05 0.00 0.51 0.00 0.00 43.02 41.68 1gqo s PHE 47 CO 0.03 0.56 0.41 0.12 0.70 0.00 0.00 175.22 177.04 1gqo s PHE 48 N -1.13 -0.53 0.01 0.36 5.36 -0.75 -4.96 117.98 116.34 1gqo s PHE 48 Ca 0.21 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.41 1gqo s PHE 48 Cb -0.12 0.21 -0.01 0.00 -0.34 0.00 0.00 43.02 42.76 1gqo s PHE 48 CO 0.11 -0.28 -0.12 -1.14 -1.46 0.00 0.00 175.22 172.33 1gqo s GLN 49 N 0.82 0.90 -0.12 10.12 -0.44 -1.25 -1.45 119.66 128.24 1gqo s GLN 49 Ca -0.05 -0.53 -0.30 0.00 -2.50 0.00 0.00 55.36 51.99 1gqo s GLN 49 Cb -0.06 -0.87 0.08 0.00 -1.64 0.00 0.00 33.01 30.52 1gqo s GLN 49 CO -0.06 0.23 0.77 0.45 0.50 0.00 0.00 175.29 177.18 1gqo s SER 50 N -0.60 -0.60 0.00 6.67 0.15 -0.96 -5.00 113.70 113.35 1gqo s SER 50 Ca 0.03 0.78 0.24 0.00 0.70 0.00 0.00 55.95 57.69 1gqo s SER 50 Cb -0.06 0.65 0.21 0.00 -1.71 0.00 0.00 66.02 65.12 1gqo s SER 50 CO 0.00 -0.47 1.22 0.59 1.20 0.00 0.00 173.24 175.78 1gqo n ASN 51 N 1.22 1.51 -4.67 5.45 3.02 -1.26 -2.27 115.26 118.27 1gqo n ASN 51 Ca -0.16 -1.19 -0.37 0.00 -0.03 0.00 0.00 54.58 52.83 1gqo n ASN 51 Cb 0.57 0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 40.09 1gqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gqo s HIS 52 N -2.59 3.34 0.19 3.10 3.76 -1.26 -4.61 115.29 117.22 1gqo s HIS 52 Ca 0.18 0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 55.29 1gqo s HIS 52 Cb 0.18 -2.30 0.20 0.00 1.11 0.00 0.00 32.58 31.77 1gqo s HIS 52 CO 0.61 0.08 1.78 1.49 -0.85 0.00 0.00 174.74 177.85 1gqo h GLU 53 N 7.37 0.49 -0.51 1.40 4.81 -2.01 -1.99 114.58 124.14 1gqo h GLU 53 Ca -0.38 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1gqo h GLU 53 Cb 1.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1gqo h GLU 53 CO 0.68 0.32 0.29 0.78 -0.73 0.00 0.00 179.01 180.35 1gqo h GLY 54 N 0.50 0.74 1.22 1.92 0.00 -1.99 -1.58 103.07 103.89 1gqo h GLY 54 Ca 0.26 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1gqo h GLY 54 CO -0.21 0.30 0.14 -0.55 0.00 0.00 0.00 176.54 176.22 1gqo h ASP 55 N 0.70 0.91 -0.34 0.19 3.32 -1.77 0.91 116.42 120.34 1gqo h ASP 55 Ca 0.18 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1gqo h ASP 55 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1gqo h ASP 55 CO -0.03 0.89 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.10 1gqo h LEU 56 N 0.92 0.78 -0.23 1.55 3.38 -1.36 -2.13 115.31 118.22 1gqo h LEU 56 Ca 0.20 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1gqo h LEU 56 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1gqo h LEU 56 CO 0.00 1.03 0.15 0.40 0.09 0.00 0.00 178.44 180.11 1gqo h ILE 57 N 0.53 1.07 -0.95 1.22 2.04 -1.05 -0.82 117.51 119.55 1gqo h ILE 57 Ca 0.07 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1gqo h ILE 57 Cb 0.75 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1gqo h ILE 57 CO 0.06 0.07 0.61 0.44 0.00 0.00 0.00 178.15 179.32 1gqo h ASP 58 N 0.30 0.99 -0.56 1.72 3.32 -0.71 -1.30 116.42 120.18 1gqo h ASP 58 Ca 0.08 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 58 Cb -0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1gqo h ASP 58 CO -0.02 0.66 -0.01 0.00 -1.72 0.00 0.00 179.24 178.15 1gqo h ALA 59 N 1.41 0.89 -0.12 3.45 0.00 -1.10 -1.85 119.26 121.95 1gqo h ALA 59 Ca 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 59 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1gqo h ALA 59 CO -0.15 0.65 -0.00 0.82 0.00 0.00 0.00 179.25 180.58 1gqo h ILE 60 N 0.93 1.25 -0.76 0.00 2.04 -0.57 -0.26 117.51 120.14 1gqo h ILE 60 Ca 0.17 -0.82 0.09 0.00 1.00 0.00 0.00 64.86 65.30 1gqo h ILE 60 Cb 0.55 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.12 1gqo h ILE 60 CO 0.03 0.24 0.41 0.45 0.00 0.00 0.00 178.15 179.28 1gqo h HIS 61 N -0.06 0.75 0.00 1.37 3.86 -0.98 -2.95 115.15 117.14 1gqo h HIS 61 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1gqo h HIS 61 Cb 0.36 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1gqo h HIS 61 CO 0.03 0.29 -0.17 0.93 0.86 0.00 0.00 177.93 179.88 1gqo h GLU 62 N 0.70 0.00 -0.43 2.45 5.08 -0.96 -3.32 114.58 118.10 1gqo h GLU 62 Ca 0.37 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1gqo h GLU 62 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1gqo h GLU 62 CO -0.25 0.00 0.16 0.00 -1.00 0.00 0.00 179.01 177.92 1gqo h ALA 63 N 2.11 1.49 -0.95 3.43 0.00 -0.86 -3.14 119.26 121.34 1gqo h ALA 63 Ca 0.00 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 63 Cb 0.94 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1gqo h ALA 63 CO 0.00 0.39 0.62 1.49 0.00 0.00 0.00 179.25 181.75 1gqo h GLU 64 N 0.60 0.46 -0.51 0.00 4.57 -1.70 0.20 114.58 118.20 1gqo h GLU 64 Ca 0.15 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1gqo h GLU 64 Cb 0.13 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1gqo h GLU 64 CO -0.01 0.30 0.00 0.39 -1.18 0.00 0.00 179.01 178.51 1gqo n GLU 65 N -4.57 2.34 0.00 1.92 1.02 -1.19 -4.56 120.64 115.61 1gqo n GLU 65 Ca 0.21 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 1gqo n GLU 65 Cb 0.71 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1gqo n GLU 65 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1gqo n GLN 66 N 1.20 2.45 -4.61 3.49 7.27 0.44 -5.12 117.38 122.49 1gqo n GLN 66 Ca 0.19 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.99 1gqo n GLN 66 Cb 0.50 -0.55 -0.10 0.00 2.41 0.00 0.00 30.24 32.50 1gqo n GLN 66 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1gqo s TYR 67 N -0.74 2.26 -0.86 3.69 1.51 0.28 -4.92 117.35 118.57 1gqo s TYR 67 Ca 0.00 -0.81 0.08 0.00 -1.01 0.00 0.00 57.07 55.34 1gqo s TYR 67 Cb 0.00 -1.63 0.18 0.00 -0.11 0.00 0.00 41.96 40.40 1gqo s TYR 67 CO 0.00 0.29 1.05 -1.13 -1.11 0.00 0.00 175.55 174.65 1gqo n SER 68 N -0.99 2.36 -3.62 2.29 3.41 -0.58 -4.73 113.62 111.76 1gqo n SER 68 Ca -0.07 -1.77 -0.03 0.00 -0.26 0.00 0.00 58.87 56.73 1gqo n SER 68 Cb 0.67 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1gqo n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gqo s GLY 69 N -0.90 -0.18 -0.00 5.00 0.00 -1.26 -4.46 107.32 105.52 1gqo s GLY 69 Ca 0.15 1.98 0.05 0.00 0.00 0.00 0.00 44.72 46.91 1gqo s GLY 69 CO 0.12 0.71 -0.17 -0.42 0.00 0.00 0.00 173.10 173.33 1gqo s ILE 70 N -1.95 1.37 -0.27 0.90 1.01 -0.38 -2.30 121.20 119.58 1gqo s ILE 70 Ca 0.10 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1gqo s ILE 70 Cb -0.01 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1gqo s ILE 70 CO -0.04 0.33 -0.04 -0.69 0.00 0.00 0.00 174.94 174.50 1gqo s VAL 71 N -0.48 2.86 -0.19 2.92 1.01 -0.71 -1.29 120.40 124.52 1gqo s VAL 71 Ca 0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 1gqo s VAL 71 Cb -0.07 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1gqo s VAL 71 CO -0.00 0.06 -0.08 -0.22 0.00 0.00 0.00 175.10 174.86 1gqo s LEU 72 N 1.28 2.77 -0.45 3.92 2.96 0.75 -0.07 118.68 129.83 1gqo s LEU 72 Ca -0.03 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1gqo s LEU 72 Cb -0.18 -1.68 0.12 0.00 0.50 0.00 0.00 46.19 44.95 1gqo s LEU 72 CO -0.03 0.04 0.20 0.21 -1.32 0.00 0.00 176.35 175.44 1gqo s ASN 73 N 1.12 4.74 0.00 3.68 3.84 -0.01 -1.09 114.94 127.23 1gqo s ASN 73 Ca 0.01 -2.54 0.25 0.00 0.21 0.00 0.00 52.86 50.79 1gqo s ASN 73 Cb -0.14 -1.69 1.39 0.00 -0.55 0.00 0.00 41.25 40.25 1gqo s ASN 73 CO -0.02 -0.35 1.91 -0.81 -2.79 0.00 0.00 177.10 175.04 1gqo n PRO 74 N 3.79 1.14 0.00 0.43 -0.04 -1.26 -0.41 135.00 138.65 1gqo n PRO 74 Ca 0.04 -0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1gqo n PRO 74 Cb 0.38 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1gqo n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gqo n GLY 75 N 0.95 0.08 0.10 0.55 0.00 -1.26 -2.78 105.19 102.82 1gqo n GLY 75 Ca 0.19 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.35 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo n ALA 76 N 2.97 1.74 -0.23 4.61 0.00 -1.26 -2.26 120.51 126.09 1gqo n ALA 76 Ca 0.00 0.04 0.24 0.00 0.00 0.00 0.00 53.44 53.72 1gqo n ALA 76 Cb 0.00 -1.37 0.61 0.00 0.00 0.00 0.00 19.45 18.69 1gqo n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gqo h LEU 77 N 0.00 0.22 -1.62 0.00 3.38 -1.90 -1.23 115.31 114.16 1gqo h LEU 77 Ca 0.00 0.03 0.42 0.00 0.09 0.00 0.00 57.88 58.41 1gqo h LEU 77 Cb 0.38 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.02 1gqo h LEU 77 CO 0.00 0.08 0.93 -1.28 0.09 0.00 0.00 178.44 178.25 1gqo h SER 78 N 0.21 0.19 0.32 -0.43 0.87 -1.61 -0.22 113.55 112.88 1gqo h SER 78 Ca 0.47 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1gqo h SER 78 Cb 1.48 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1gqo h SER 78 CO -0.11 -0.07 -0.29 1.41 -0.53 0.00 0.00 176.83 177.23 1gqo n HIS 79 N -4.45 0.00 -0.44 2.24 8.25 -0.47 -0.36 115.22 120.00 1gqo n HIS 79 Ca 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 1gqo n HIS 79 Cb 1.41 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 32.36 1gqo n HIS 79 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1gqo n TYR 80 N -0.88 0.00 -2.30 4.41 0.18 -0.72 -4.70 117.16 113.15 1gqo n TYR 80 Ca 0.11 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.55 1gqo n TYR 80 Cb 0.34 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.26 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gqo s SER 81 N 0.00 5.83 0.55 9.48 0.15 -0.17 -4.74 113.70 124.80 1gqo s SER 81 Ca 0.00 -1.33 0.33 0.00 0.70 0.00 0.00 55.95 55.65 1gqo s SER 81 Cb 0.00 -2.57 1.46 0.00 -1.71 0.00 0.00 66.02 63.20 1gqo s SER 81 CO 0.00 -2.15 2.03 1.88 1.20 0.00 0.00 173.24 176.20 1gqo h TYR 82 N 10.04 0.00 -0.29 3.44 -1.99 -1.91 -2.73 116.97 123.52 1gqo h TYR 82 Ca 0.20 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.79 1gqo h TYR 82 Cb 0.98 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 1gqo h TYR 82 CO 1.27 0.05 -0.38 0.00 -0.00 0.00 0.00 178.16 179.09 1gqo h ALA 83 N 1.95 0.79 -0.03 3.88 0.00 -1.98 -1.35 119.26 122.52 1gqo h ALA 83 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1gqo h ALA 83 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1gqo h ALA 83 CO 0.01 0.65 -0.58 0.82 0.00 0.00 0.00 179.25 180.15 1gqo h ILE 84 N 0.56 1.40 0.32 0.00 2.04 -1.86 -1.94 117.51 118.02 1gqo h ILE 84 Ca 0.05 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.95 1gqo h ILE 84 Cb 0.90 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1gqo h ILE 84 CO 0.08 0.57 -0.15 -0.09 0.00 0.00 0.00 178.15 178.55 1gqo h ARG 85 N 0.08 -0.41 -0.03 2.37 2.43 -1.28 -1.22 114.38 116.32 1gqo h ARG 85 Ca -0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1gqo h ARG 85 Cb 1.04 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1gqo h ARG 85 CO 0.08 -0.26 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.70 1gqo h ASP 86 N -0.45 0.04 -0.11 -3.80 5.19 -1.11 -2.40 116.42 113.78 1gqo h ASP 86 Ca -0.04 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1gqo h ASP 86 Cb 0.34 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 1gqo h ASP 86 CO 0.07 0.20 0.02 0.00 -3.12 0.00 0.00 179.24 176.41 1gqo h ALA 87 N 1.81 0.15 -0.76 3.45 0.00 -0.56 -2.13 119.26 121.22 1gqo h ALA 87 Ca 0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gqo h ALA 87 Cb 0.29 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1gqo h ALA 87 CO 0.02 -0.19 0.48 0.28 0.00 0.00 0.00 179.25 179.84 1gqo h VAL 88 N -0.04 1.10 0.00 0.00 2.07 -1.04 -1.42 116.25 116.92 1gqo h VAL 88 Ca 0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1gqo h VAL 88 Cb 0.29 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1gqo h VAL 88 CO 0.00 0.17 -0.07 0.28 0.02 0.00 0.00 177.57 177.98 1gqo h SER 89 N 0.93 0.00 0.13 0.57 0.02 -1.16 -2.90 113.55 111.15 1gqo h SER 89 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1gqo h SER 89 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1gqo h SER 89 CO -0.12 0.07 -0.11 -1.54 -1.14 0.00 0.00 176.83 173.99 1gqo n SER 90 N -3.31 1.06 -4.68 3.07 3.41 -0.54 -4.90 113.62 107.73 1gqo n SER 90 Ca -0.01 -1.10 -0.24 0.00 -0.26 0.00 0.00 58.87 57.26 1gqo n SER 90 Cb 0.25 0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 1gqo n SER 90 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1gqo s ILE 91 N -2.25 2.76 -0.56 -1.33 -4.36 -1.10 -5.06 121.20 109.30 1gqo s ILE 91 Ca 0.33 -1.84 0.22 0.00 -0.26 0.00 0.00 60.65 59.10 1gqo s ILE 91 Cb 0.20 -2.89 -0.20 0.00 1.25 0.00 0.00 42.46 40.83 1gqo s ILE 91 CO 0.42 -0.18 0.86 -1.54 0.24 0.00 0.00 174.94 174.75 1gqo n SER 92 N -1.05 0.57 -4.77 4.36 3.41 -1.26 -4.96 113.62 109.90 1gqo n SER 92 Ca -0.03 -0.35 -0.34 0.00 -0.26 0.00 0.00 58.87 57.89 1gqo n SER 92 Cb 0.62 1.13 0.03 0.00 -0.26 0.00 0.00 64.21 65.73 1gqo n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqo s LEU 93 N -3.86 3.55 0.07 1.04 1.43 -1.26 -5.02 118.68 114.63 1gqo s LEU 93 Ca 0.02 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 1gqo s LEU 93 Cb 0.15 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 1gqo s LEU 93 CO 0.84 -1.43 1.18 -2.16 0.23 0.00 0.00 176.35 175.02 1gqo s PRO 94 N -3.76 4.45 -0.11 1.29 0.04 -1.26 -4.90 135.00 130.75 1gqo s PRO 94 Ca 0.69 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.49 1gqo s PRO 94 Cb -0.21 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 1gqo s PRO 94 CO 0.35 -0.22 -0.17 0.08 0.04 0.00 0.00 177.00 177.08 1gqo s VAL 95 N 0.97 2.70 -0.16 -0.36 1.01 -1.26 -1.25 120.40 122.05 1gqo s VAL 95 Ca 0.58 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1gqo s VAL 95 Cb -0.29 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1gqo s VAL 95 CO 0.30 0.54 -0.19 -0.69 0.00 0.00 0.00 175.10 175.06 1gqo s VAL 96 N 0.23 2.28 0.03 2.92 1.01 -0.41 -1.16 120.40 125.30 1gqo s VAL 96 Ca -0.11 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 1gqo s VAL 96 Cb -0.16 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 1gqo s VAL 96 CO 0.06 0.53 0.66 -0.70 0.00 0.00 0.00 175.10 175.65 1gqo s GLU 97 N 1.04 4.38 -0.02 2.72 2.12 -1.00 -0.18 118.70 127.75 1gqo s GLU 97 Ca -0.01 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.19 1gqo s GLU 97 Cb -0.14 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1gqo s GLU 97 CO -0.06 0.39 -0.00 0.08 -0.54 0.00 0.00 175.26 175.13 1gqo s VAL 98 N -0.35 0.15 -0.05 3.70 1.01 -0.25 -1.34 120.40 123.28 1gqo s VAL 98 Ca 0.33 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1gqo s VAL 98 Cb -0.19 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1gqo s VAL 98 CO 0.20 0.11 -0.11 -1.00 0.00 0.00 0.00 175.10 174.30 1gqo s HIS 99 N 0.74 1.27 0.04 5.22 3.76 -0.76 -4.17 115.29 121.38 1gqo s HIS 99 Ca -0.07 -0.42 -0.19 0.00 -0.15 0.00 0.00 55.06 54.23 1gqo s HIS 99 Cb -0.10 -0.93 -0.16 0.00 1.11 0.00 0.00 32.58 32.50 1gqo s HIS 99 CO -0.01 -0.21 1.28 -0.07 -0.85 0.00 0.00 174.74 174.88 1gqo h LEU 100 N 6.81 0.51-10.43 0.89 4.07 -1.87 -2.33 115.31 112.95 1gqo h LEU 100 Ca -0.33 -0.57 -0.47 0.00 0.08 0.00 0.00 57.88 56.59 1gqo h LEU 100 Cb 1.18 -0.15 0.06 0.00 1.08 0.00 0.00 40.66 42.83 1gqo h LEU 100 CO 0.48 0.98 0.17 -0.94 -1.08 0.00 0.00 178.44 178.05 1gqo s SER 101 N -6.41 5.58 -0.84 -0.43 1.04 -1.26 -1.70 113.70 109.68 1gqo s SER 101 Ca -0.13 0.70 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 1gqo s SER 101 Cb 0.05 -1.69 0.04 0.00 0.10 0.00 0.00 66.02 64.52 1gqo s SER 101 CO 0.79 -1.07 1.36 0.21 0.98 0.00 0.00 173.24 175.51 1gqo s ASN 102 N -4.31 6.26 0.34 7.02 3.84 -1.26 -1.84 114.94 124.99 1gqo s ASN 102 Ca 0.54 -0.80 0.02 0.00 0.21 0.00 0.00 52.86 52.83 1gqo s ASN 102 Cb -0.11 -2.56 0.60 0.00 -0.55 0.00 0.00 41.25 38.63 1gqo s ASN 102 CO 0.45 -1.74 1.95 -0.07 -2.79 0.00 0.00 177.10 174.90 1gqo h LEU 103 N 13.04 0.66 -2.18 3.21 3.38 -1.91 -1.08 115.31 130.44 1gqo h LEU 103 Ca -0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1gqo h LEU 103 Cb 1.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1gqo h LEU 103 CO 1.33 0.56 -0.06 1.88 0.09 0.00 0.00 178.44 182.24 1gqo h TYR 104 N 0.74 0.00 -0.01 1.13 0.99 -1.90 0.17 116.97 118.09 1gqo h TYR 104 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1gqo h TYR 104 Cb 0.08 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.81 1gqo h TYR 104 CO 0.01 0.06 -0.15 0.00 -0.00 0.00 0.00 178.16 178.08 1gqo n ALA 105 N -2.30 2.86 -2.30 3.88 0.00 -0.41 -4.93 120.51 117.31 1gqo n ALA 105 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1gqo n ALA 105 Cb 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1gqo n ALA 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gqo n ARG 106 N -0.65 3.79 -1.71 0.00 1.74 0.58 -5.05 116.66 115.37 1gqo n ARG 106 Ca 0.15 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.82 1gqo n ARG 106 Cb 0.31 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.76 1gqo n ARG 106 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gqo n GLU 107 N 0.00 1.97 -0.21 5.56 4.71 -1.26 -4.90 120.64 126.50 1gqo n GLU 107 Ca 0.00 0.70 0.11 0.00 -0.01 0.00 0.00 57.16 57.97 1gqo n GLU 107 Cb 0.00 -2.41 0.41 0.00 -1.01 0.00 0.00 31.44 28.43 1gqo n GLU 107 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1gqo h GLU 108 N 2.12 0.61 0.00 3.49 4.81 -1.94 -0.44 114.58 123.22 1gqo h GLU 108 Ca -0.48 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 1gqo h GLU 108 Cb 1.29 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1gqo h GLU 108 CO 0.60 0.40 -0.10 0.27 -0.73 0.00 0.00 179.01 179.45 1gqo h PHE 109 N 0.63 0.00 0.00 0.92 -5.15 -1.97 -2.04 116.94 109.32 1gqo h PHE 109 Ca 0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 1gqo h PHE 109 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.80 1gqo h PHE 109 CO -0.00 0.10 0.00 0.54 -2.00 0.00 0.00 178.31 176.95 1gqo n ARG 110 N -4.06 0.80 0.00 6.09 1.74 -0.17 -4.04 116.66 117.02 1gqo n ARG 110 Ca -0.02 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.20 1gqo n ARG 110 Cb 0.19 -1.49 0.68 0.00 -1.02 0.00 0.00 32.46 30.82 1gqo n ARG 110 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gqo n HIS 111 N -0.99 0.00 -4.25 -1.55 8.25 -0.77 -4.75 115.22 111.17 1gqo n HIS 111 Ca 0.19 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.46 1gqo n HIS 111 Cb 0.09 -0.23 -0.15 0.00 1.12 0.00 0.00 29.99 30.81 1gqo n HIS 111 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1gqo s GLN 112 N -2.53 0.68 -0.21 -0.41 0.00 -1.26 -4.99 119.66 110.95 1gqo s GLN 112 Ca 0.28 -0.21 -0.07 0.00 -0.00 0.00 0.00 55.36 55.36 1gqo s GLN 112 Cb 0.20 -0.66 -0.03 0.00 0.00 0.00 0.00 33.01 32.51 1gqo s GLN 112 CO 0.47 0.08 0.05 0.45 0.00 0.00 0.00 175.29 176.35 1gqo s SER 113 N 0.18 5.29 0.06 12.60 0.15 -1.26 -4.27 113.70 126.45 1gqo s SER 113 Ca -0.02 -0.08 0.27 0.00 0.70 0.00 0.00 55.95 56.82 1gqo s SER 113 Cb -0.07 -1.92 0.97 0.00 -1.71 0.00 0.00 66.02 63.29 1gqo s SER 113 CO -0.00 0.07 1.78 1.33 1.20 0.00 0.00 173.24 177.62 1gqo n VAL 114 N 4.20 0.17 -0.01 4.45 0.24 0.52 -3.73 118.33 124.17 1gqo n VAL 114 Ca -0.16 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1gqo n VAL 114 Cb 0.52 -0.40 -0.14 0.00 -1.47 0.00 0.00 33.84 32.35 1gqo n VAL 114 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1gqo n ILE 115 N -1.73 1.66 -0.26 1.34 5.41 -1.26 -4.61 119.36 119.91 1gqo n ILE 115 Ca 0.06 -0.76 0.03 0.00 1.00 0.00 0.00 62.75 63.09 1gqo n ILE 115 Cb 0.37 -1.24 0.26 0.00 -0.71 0.00 0.00 39.64 38.32 1gqo n ILE 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gqo h ALA 116 N 0.73 1.53 -0.93 -1.39 0.00 -1.91 -1.55 119.26 115.75 1gqo h ALA 116 Ca -0.33 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 54.77 1gqo h ALA 116 Cb 2.02 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 1gqo h ALA 116 CO 0.08 0.36 0.62 -1.35 0.00 0.00 0.00 179.25 178.96 1gqo h PRO 117 N 0.98 0.35 -0.02 0.00 0.11 -1.81 -2.27 132.00 129.34 1gqo h PRO 117 Ca 0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1gqo h PRO 117 Cb 0.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1gqo h PRO 117 CO -0.11 0.23 -0.22 1.33 -0.21 0.00 0.00 178.00 179.02 1gqo n VAL 118 N -4.50 0.00 -2.13 3.15 0.24 -0.60 -4.98 118.33 109.52 1gqo n VAL 118 Ca 0.20 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1gqo n VAL 118 Cb 0.76 1.35 0.08 0.00 -1.47 0.00 0.00 33.84 34.56 1gqo n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gqo n ALA 119 N 0.61 -0.22 -0.03 2.33 0.00 -0.85 -4.76 120.51 117.58 1gqo n ALA 119 Ca 0.11 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 1gqo n ALA 119 Cb 0.49 0.10 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 1gqo n ALA 119 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gqo h LYS 120 N 0.00 0.01 0.00 0.00 1.79 -1.41 -3.49 116.57 113.46 1gqo h LYS 120 Ca -0.20 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.30 1gqo h LYS 120 Cb 0.68 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1gqo h LYS 120 CO 0.19 0.69 0.16 0.41 -1.08 0.00 0.00 179.45 179.81 1gqo n GLY 121 N 0.75 1.14 3.11 3.86 0.00 -1.25 -5.08 105.19 107.72 1gqo n GLY 121 Ca -0.09 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1gqo n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gqo s GLN 122 N -2.01 0.46 -0.10 1.61 0.74 -1.26 -2.38 119.66 116.71 1gqo s GLN 122 Ca 0.06 -0.28 -0.00 0.00 0.05 0.00 0.00 55.36 55.19 1gqo s GLN 122 Cb -0.01 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.32 1gqo s GLN 122 CO 0.02 -0.11 -0.07 0.42 -0.55 0.00 0.00 175.29 175.00 1gqo s ILE 123 N -1.14 0.92 0.01 -2.34 1.01 -0.45 -4.97 121.20 114.25 1gqo s ILE 123 Ca -0.12 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.32 1gqo s ILE 123 Cb -0.06 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1gqo s ILE 123 CO 0.02 0.35 -0.12 -0.69 0.00 0.00 0.00 174.94 174.49 1gqo s VAL 124 N 1.60 0.97 0.00 2.92 1.01 -1.26 -1.83 120.40 123.81 1gqo s VAL 124 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1gqo s VAL 124 Cb -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1gqo s VAL 124 CO -0.06 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1gqo n GLY 125 N 2.34 1.53 1.86 4.51 0.00 -0.77 -4.85 105.19 109.81 1gqo n GLY 125 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1gqo n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gqo n LEU 126 N 0.00 5.58 0.00 0.99 4.77 -1.22 -4.57 117.00 122.55 1gqo n LEU 126 Ca 0.00 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 1gqo n LEU 126 Cb 0.00 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1gqo n LEU 126 CO 0.00 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1gqo n GLY 127 N -0.23 0.88 0.25 -0.72 0.00 -0.69 -3.72 105.19 100.95 1gqo n GLY 127 Ca 0.37 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1gqo n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo h ALA 128 N -0.95 1.14 -0.77 4.61 0.00 -1.88 -2.33 119.26 119.08 1gqo h ALA 128 Ca 0.00 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1gqo h ALA 128 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1gqo h ALA 128 CO 0.00 0.19 0.54 1.49 0.00 0.00 0.00 179.25 181.48 1gqo h GLU 129 N 0.00 0.13 -0.96 0.00 4.57 -1.99 -0.92 114.58 115.41 1gqo h GLU 129 Ca -0.00 -0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.37 1gqo h GLU 129 Cb 0.51 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.98 1gqo h GLU 129 CO 0.02 0.08 0.61 0.78 -1.18 0.00 0.00 179.01 179.33 1gqo h GLY 130 N 0.13 1.29 1.13 1.92 0.00 -1.50 0.28 103.07 106.33 1gqo h GLY 130 Ca 0.38 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1gqo h GLY 130 CO -0.05 -0.02 0.15 -0.97 0.00 0.00 0.00 176.54 175.65 1gqo h TYR 131 N 0.58 1.12 -0.32 5.60 -1.99 -1.38 0.61 116.97 121.20 1gqo h TYR 131 Ca 0.52 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 61.07 1gqo h TYR 131 Cb 1.04 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 1gqo h TYR 131 CO -0.00 0.92 0.01 0.87 -0.00 0.00 0.00 178.16 179.96 1gqo h LYS 132 N 1.02 0.56 -0.69 4.88 1.57 -1.33 -0.63 116.57 121.95 1gqo h LYS 132 Ca 0.21 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1gqo h LYS 132 Cb 0.37 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1gqo h LYS 132 CO 0.00 0.68 0.45 -0.07 -0.57 0.00 0.00 179.45 179.94 1gqo h LEU 133 N 0.36 0.80 -0.60 2.94 3.38 -0.80 -0.09 115.31 121.31 1gqo h LEU 133 Ca 0.09 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1gqo h LEU 133 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1gqo h LEU 133 CO 0.01 0.59 0.13 0.00 0.09 0.00 0.00 178.44 179.27 1gqo h ALA 134 N 1.24 0.79 -0.72 1.53 0.00 -0.48 -0.88 119.26 120.75 1gqo h ALA 134 Ca 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1gqo h ALA 134 Cb -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1gqo h ALA 134 CO -0.05 0.51 0.38 0.28 0.00 0.00 0.00 179.25 180.36 1gqo h VAL 135 N 0.87 1.22 -0.52 0.00 2.07 -0.57 -0.61 116.25 118.71 1gqo h VAL 135 Ca 0.18 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1gqo h VAL 135 Cb 0.38 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1gqo h VAL 135 CO 0.01 0.25 0.23 0.03 0.02 0.00 0.00 177.57 178.10 1gqo h ARG 136 N 1.00 0.76 -0.27 1.57 3.08 -0.59 -0.23 114.38 119.70 1gqo h ARG 136 Ca 0.25 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1gqo h ARG 136 Cb 0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1gqo h ARG 136 CO -0.04 0.65 0.12 -0.92 -1.07 0.00 0.00 179.97 178.71 1gqo h TYR 137 N 0.69 0.22 -0.75 3.04 3.20 -0.49 0.01 116.97 122.89 1gqo h TYR 137 Ca 0.18 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1gqo h TYR 137 Cb 0.16 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1gqo h TYR 137 CO 0.00 0.12 0.48 -0.07 -1.64 0.00 0.00 178.16 177.04 1gqo h LEU 138 N 0.26 0.80 -0.62 2.82 4.07 -0.33 -2.33 115.31 119.98 1gqo h LEU 138 Ca 0.11 -0.01 0.03 0.00 0.08 0.00 0.00 57.88 58.10 1gqo h LEU 138 Cb 0.05 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.57 1gqo h LEU 138 CO -0.09 0.56 0.38 -0.07 -1.08 0.00 0.00 178.44 178.13 1gqo h LEU 139 N 0.94 0.62 -2.88 1.67 3.38 -0.33 -1.60 115.31 117.11 1gqo h LEU 139 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1gqo h LEU 139 Cb -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1gqo h LEU 139 CO -0.10 0.44 0.02 0.77 0.09 0.00 0.00 178.44 179.65 1gqo h SER 140 N 0.75 0.00 -0.02 -0.43 4.64 -0.49 -3.52 113.55 114.48 1gqo h SER 140 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1gqo h SER 140 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1gqo h SER 140 CO -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.86