#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 1.98 0.12 6.00 2.46 -1.25 -1.23 115.29 123.37 1gqo s HIS 2 Ca 0.00 -1.37 0.06 0.00 0.47 0.00 0.00 55.06 54.23 1gqo s HIS 2 Cb 0.00 -1.43 -0.04 0.00 -0.13 0.00 0.00 32.58 30.98 1gqo s HIS 2 CO 0.00 -0.69 -0.03 -0.06 -2.47 0.00 0.00 174.74 171.49 1gqo s PHE 3 N 1.54 2.87 -0.21 3.88 2.99 -0.18 -1.00 117.98 127.86 1gqo s PHE 3 Ca -0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 56.93 56.73 1gqo s PHE 3 Cb -0.17 -1.45 -0.04 0.00 0.00 0.00 0.00 43.02 41.36 1gqo s PHE 3 CO -0.07 0.48 0.08 -1.17 -0.00 0.00 0.00 175.22 174.54 1gqo s LEU 4 N -2.51 3.76 -0.48 -0.37 0.20 -0.66 -1.83 118.68 116.79 1gqo s LEU 4 Ca 0.25 0.00 -0.12 0.00 0.69 0.00 0.00 54.13 54.95 1gqo s LEU 4 Cb -0.11 -1.98 0.10 0.00 -0.43 0.00 0.00 46.19 43.78 1gqo s LEU 4 CO 0.17 0.09 0.37 -0.63 -0.29 0.00 0.00 176.35 176.07 1gqo s ILE 5 N 0.85 4.65 -0.31 6.68 -1.09 -0.37 -1.00 121.20 130.61 1gqo s ILE 5 Ca 0.04 -1.48 -0.09 0.00 -2.23 0.00 0.00 60.65 56.88 1gqo s ILE 5 Cb -0.13 -3.93 -0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1gqo s ILE 5 CO 0.02 -0.70 0.15 -0.22 -1.23 0.00 0.00 174.94 172.97 1gqo s LEU 6 N 1.49 4.14 -0.15 2.97 0.20 0.11 -1.86 118.68 125.58 1gqo s LEU 6 Ca 0.04 -0.58 -0.03 0.00 0.69 0.00 0.00 54.13 54.25 1gqo s LEU 6 Cb -0.26 -1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 43.48 1gqo s LEU 6 CO 0.02 -0.21 -0.06 0.20 -0.29 0.00 0.00 176.35 176.01 1gqo s ASN 7 N 1.60 4.60 0.48 3.68 0.01 0.81 -1.93 114.94 124.18 1gqo s ASN 7 Ca 0.04 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 1gqo s ASN 7 Cb -0.17 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.75 1gqo s ASN 7 CO 0.06 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 1gqo n GLY 8 N 3.52 0.03 3.62 0.66 0.00 0.64 -2.18 105.19 111.48 1gqo n GLY 8 Ca -0.18 -1.82 -0.46 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.75 1.58 -0.20 1.61 -0.04 -0.95 -2.40 135.00 133.85 1gqo n PRO 9 Ca 0.00 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1gqo n PRO 9 Cb 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 1.97 0.00 -0.00 3.54 3.02 -1.26 -4.51 115.26 118.02 1gqo n ASN 10 Ca 0.13 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.77 1gqo n ASN 10 Cb 0.28 -0.96 0.50 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.98 0.00 2.41 2.07 -1.85 -0.86 116.25 119.00 1gqo h VAL 11 Ca 0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1gqo h VAL 11 Cb 0.00 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1gqo h VAL 11 CO 0.00 0.07 -0.01 -0.55 0.02 0.00 0.00 177.57 177.10 1gqo h ASN 12 N 0.39 0.00 -0.19 0.57 -1.07 -1.89 -2.75 115.58 110.64 1gqo h ASN 12 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.56 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 -0.05 0.01 0.00 0.54 0.07 0.00 0.00 177.43 178.01 1gqo n ARG 13 N -3.37 1.65 -1.64 4.14 5.12 -0.33 -4.62 116.66 117.61 1gqo n ARG 13 Ca -0.03 -0.99 -0.48 0.00 -1.93 0.00 0.00 57.85 54.43 1gqo n ARG 13 Cb 0.10 -1.34 -0.04 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.24 2.59 0.00 0.55 4.32 -1.04 -3.35 117.00 120.31 1gqo n LEU 14 Ca 0.14 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.24 1gqo n LEU 14 Cb 0.28 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 1gqo n LEU 14 CO 0.11 -0.60 0.00 0.61 -1.22 0.00 0.00 177.39 176.29 1gqo n GLY 15 N 2.85 1.06 0.18 -0.72 0.00 -1.04 -4.03 105.19 103.48 1gqo n GLY 15 Ca 0.16 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 0.62 1.47 -3.60 1.61 3.41 -1.21 -4.90 113.62 111.03 1gqo n SER 16 Ca 0.00 -2.48 0.01 0.00 -0.26 0.00 0.00 58.87 56.14 1gqo n SER 16 Cb 0.06 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 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 -1.61 0.17 0.00 4.33 1.70 -1.26 -5.10 118.95 117.19 1gqo s ARG 17 Ca 0.16 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.33 1gqo s ARG 17 Cb 0.14 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 1gqo s ARG 17 CO 0.02 -0.08 0.00 -0.85 -1.08 0.00 0.00 175.30 173.31 1gqo n GLU 18 N -0.37 0.00 0.24 3.89 0.28 -1.26 -4.80 120.64 118.62 1gqo n GLU 18 Ca -0.06 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.05 1gqo n GLU 18 Cb 0.62 0.00 0.60 0.00 1.43 0.00 0.00 31.44 34.08 1gqo n GLU 18 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1gqo h PRO 19 N 0.26 0.00 0.00 3.44 0.11 -1.96 -2.54 132.00 131.30 1gqo h PRO 19 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1gqo h PRO 19 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1gqo h PRO 19 CO 0.00 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.13 1gqo n GLU 20 N -3.66 0.09 -0.09 1.05 -0.00 -1.26 0.38 120.64 117.15 1gqo n GLU 20 Ca -0.01 0.10 -0.12 0.00 -0.00 0.00 0.00 57.16 57.13 1gqo n GLU 20 Cb 0.31 -1.50 -0.10 0.00 -0.00 0.00 0.00 31.44 30.16 1gqo n GLU 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1gqo n VAL 21 N -1.44 1.12 -0.03 3.84 0.31 -0.98 -4.80 118.33 116.35 1gqo n VAL 21 Ca 0.07 -0.49 -0.02 0.00 -0.01 0.00 0.00 64.34 63.89 1gqo n VAL 21 Cb 0.24 -1.04 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 1gqo n VAL 21 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1gqo n PHE 22 N -2.94 0.00 0.00 3.52 3.01 -1.09 -4.31 117.46 115.64 1gqo n PHE 22 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.14 1gqo n PHE 22 Cb 0.91 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 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 2.47 2.92 0.24 1.37 0.00 0.16 -4.73 105.19 107.63 1gqo n GLY 23 Ca -0.09 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 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 0.74 -7.15 1.61 2.47 -1.94 -3.40 114.38 106.71 1gqo h ARG 24 Ca 0.00 -0.42 -0.41 0.00 -1.26 0.00 0.00 59.98 57.89 1gqo h ARG 24 Cb 0.00 0.03 0.21 0.00 -1.65 0.00 0.00 29.97 28.56 1gqo h ARG 24 CO 0.00 1.04 -0.02 1.14 0.56 0.00 0.00 179.97 182.70 1gqo s GLN 25 N -4.19 -1.71 0.37 0.04 -2.07 -1.26 -4.70 119.66 106.13 1gqo s GLN 25 Ca -0.09 0.41 0.08 0.00 -1.82 0.00 0.00 55.36 53.95 1gqo s GLN 25 Cb 0.11 -1.50 -0.06 0.00 -1.09 0.00 0.00 33.01 30.47 1gqo s GLN 25 CO 0.86 -4.14 0.01 0.95 -1.32 0.00 0.00 175.29 171.65 1gqo s THR 26 N -2.49 2.35 0.48 3.63 -4.23 -1.26 -2.50 115.64 111.62 1gqo s THR 26 Ca 0.69 -1.99 0.14 0.00 -1.18 0.00 0.00 61.69 59.35 1gqo s THR 26 Cb -0.18 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 71.05 1gqo s THR 26 CO 0.61 -0.13 2.07 0.25 -0.54 0.00 0.00 174.62 176.88 1gqo h LEU 27 N 1.79 0.05 -0.32 4.79 5.85 -1.82 -2.08 115.31 123.56 1gqo h LEU 27 Ca -0.43 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1gqo h LEU 27 Cb 1.25 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1gqo h LEU 27 CO 0.71 0.12 -0.01 0.74 -0.34 0.00 0.00 178.44 179.66 1gqo h THR 28 N 0.06 1.26 -0.22 1.05 2.02 -1.94 -1.39 112.91 113.75 1gqo h THR 28 Ca 0.01 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.29 1gqo h THR 28 Cb 0.14 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1gqo h THR 28 CO 0.01 0.32 -0.24 0.44 0.37 0.00 0.00 175.52 176.41 1gqo h ASP 29 N 0.37 -0.77 -0.48 4.18 3.32 -1.80 -0.02 116.42 121.22 1gqo h ASP 29 Ca 0.09 0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1gqo h ASP 29 Cb 0.45 0.36 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1gqo h ASP 29 CO 0.02 -0.28 0.28 0.40 -1.72 0.00 0.00 179.24 177.94 1gqo h ILE 30 N -0.26 1.05 -0.70 0.35 2.04 -1.07 -0.97 117.51 117.96 1gqo h ILE 30 Ca 0.13 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1gqo h ILE 30 Cb 0.46 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1gqo h ILE 30 CO -0.37 0.10 0.43 -0.08 0.00 0.00 0.00 178.15 178.23 1gqo h GLU 31 N 0.57 0.80 -0.38 2.37 4.81 -0.99 0.22 114.58 121.98 1gqo h GLU 31 Ca 0.19 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1gqo h GLU 31 Cb 0.01 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1gqo h GLU 31 CO -0.09 0.53 0.19 1.15 -0.73 0.00 0.00 179.01 180.07 1gqo h THR 32 N 0.82 0.99 -0.64 0.32 2.02 0.20 -1.84 112.91 114.78 1gqo h THR 32 Ca 0.29 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1gqo h THR 32 Cb 0.06 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1gqo h THR 32 CO -0.12 0.07 0.09 0.44 0.37 0.00 0.00 175.52 176.37 1gqo h ASP 33 N 0.39 1.03 0.43 4.18 5.19 -0.87 -2.39 116.42 124.38 1gqo h ASP 33 Ca 0.16 -0.27 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 1gqo h ASP 33 Cb 0.06 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1gqo h ASP 33 CO -0.11 1.04 -0.34 -0.07 -3.12 0.00 0.00 179.24 176.64 1gqo h LEU 34 N 0.98 0.00 -0.50 1.55 3.38 -0.47 -2.77 115.31 117.48 1gqo h LEU 34 Ca 0.19 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1gqo h LEU 34 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1gqo h LEU 34 CO 0.02 0.34 -0.06 0.15 0.09 0.00 0.00 178.44 178.98 1gqo h PHE 35 N 0.00 1.02 -0.21 1.13 3.57 -0.99 -2.10 116.94 119.37 1gqo h PHE 35 Ca -0.00 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.35 1gqo h PHE 35 Cb 0.65 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 1gqo h PHE 35 CO 0.00 0.97 -0.13 1.96 -2.23 0.00 0.00 178.31 178.88 1gqo h GLN 36 N 0.78 -0.12 -0.86 1.11 4.20 -1.16 -1.62 115.11 117.45 1gqo h GLN 36 Ca 0.13 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1gqo h GLN 36 Cb 0.60 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1gqo h GLN 36 CO 0.04 -0.08 0.51 0.35 -0.67 0.00 0.00 178.83 178.98 1gqo h PHE 37 N -0.12 1.15 -0.42 2.96 -0.00 -1.49 -3.08 116.94 115.94 1gqo h PHE 37 Ca 0.12 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.97 57.96 1gqo h PHE 37 Cb 0.29 -0.37 -0.01 0.00 -0.00 0.00 0.00 35.95 35.86 1gqo h PHE 37 CO -0.29 0.77 -0.21 0.00 -0.00 0.00 0.00 178.31 178.58 1gqo h ALA 38 N 1.36 0.83 0.06 2.41 0.00 -0.59 -1.41 119.26 121.93 1gqo h ALA 38 Ca 0.31 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1gqo h ALA 38 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1gqo h ALA 38 CO -0.06 0.64 -0.03 0.93 0.00 0.00 0.00 179.25 180.74 1gqo h GLU 39 N 0.73 -0.08 0.00 0.00 3.07 -1.39 1.54 114.58 118.45 1gqo h GLU 39 Ca 0.10 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1gqo h GLU 39 Cb 0.74 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1gqo h GLU 39 CO 0.06 0.29 0.09 0.00 -1.40 0.00 0.00 179.01 178.05 1gqo n ALA 40 N -2.33 0.85 -1.91 3.43 0.00 -1.17 -1.54 120.51 117.83 1gqo n ALA 40 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1gqo n ALA 40 Cb 0.22 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 18.92 1gqo n ALA 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1gqo n LEU 41 N -1.27 0.23 -1.91 0.00 -0.00 -0.53 -4.99 117.00 108.53 1gqo n LEU 41 Ca 0.00 -1.20 -0.16 0.00 -0.00 0.00 0.00 56.01 54.65 1gqo n LEU 41 Cb 0.09 -0.04 -0.04 0.00 -0.00 0.00 0.00 43.42 43.43 1gqo n LEU 41 CO 0.00 0.29 -0.18 1.41 -0.00 0.00 0.00 177.39 178.92 1gqo n HIS 42 N -0.14 -0.69 -4.50 1.47 8.25 -0.59 -4.95 115.22 114.07 1gqo n HIS 42 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 1gqo n HIS 42 Cb 0.70 -3.10 -0.11 0.00 1.12 0.00 0.00 29.99 28.60 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 -2.57 1.71 -0.10 1.59 -4.36 0.52 -4.74 121.20 113.25 1gqo s ILE 43 Ca 0.00 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 1gqo s ILE 43 Cb 0.00 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 1gqo s ILE 43 CO 0.00 -0.13 -0.10 -1.10 0.24 0.00 0.00 174.94 173.85 1gqo s GLN 44 N -3.75 3.04 0.01 0.37 -0.21 -0.37 -4.09 119.66 114.67 1gqo s GLN 44 Ca 0.33 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 55.15 1gqo s GLN 44 Cb 0.06 -2.61 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 1gqo s GLN 44 CO 0.15 0.45 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.07 1gqo s LEU 45 N -0.24 2.10 -0.10 2.90 1.43 -1.26 -1.01 118.68 122.49 1gqo s LEU 45 Ca 0.02 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1gqo s LEU 45 Cb -0.13 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.19 1gqo s LEU 45 CO 0.03 0.18 -0.15 -0.89 0.23 0.00 0.00 176.35 175.75 1gqo s THR 46 N -0.61 1.44 -0.06 5.49 2.01 -0.76 -4.98 115.64 118.18 1gqo s THR 46 Ca 0.07 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.39 1gqo s THR 46 Cb -0.08 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1gqo s THR 46 CO 0.00 0.43 0.18 -0.36 -0.69 0.00 0.00 174.62 174.19 1gqo s PHE 47 N 0.93 3.58 -0.20 4.92 0.40 -1.26 -1.24 117.98 125.12 1gqo s PHE 47 Ca -0.08 0.49 -0.09 0.00 -0.60 0.00 0.00 56.93 56.65 1gqo s PHE 47 Cb -0.15 -1.92 0.08 0.00 0.51 0.00 0.00 43.02 41.54 1gqo s PHE 47 CO -0.00 0.69 0.45 0.12 0.70 0.00 0.00 175.22 177.17 1gqo s PHE 48 N -1.18 -0.76 0.05 0.36 5.36 -0.78 -4.97 117.98 116.08 1gqo s PHE 48 Ca 0.22 1.51 0.08 0.00 -0.96 0.00 0.00 56.93 57.78 1gqo s PHE 48 Cb -0.13 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 42.87 1gqo s PHE 48 CO 0.11 -0.43 -0.23 -1.14 -1.46 0.00 0.00 175.22 172.08 1gqo s GLN 49 N 1.99 1.48 -0.09 10.12 -0.44 -1.26 -0.14 119.66 131.32 1gqo s GLN 49 Ca -0.06 -1.03 -0.29 0.00 -2.50 0.00 0.00 55.36 51.48 1gqo s GLN 49 Cb -0.10 -1.65 0.07 0.00 -1.64 0.00 0.00 33.01 29.69 1gqo s GLN 49 CO -0.14 0.42 0.67 0.45 0.50 0.00 0.00 175.29 177.19 1gqo s SER 50 N -1.30 -0.66 0.00 6.67 0.15 -0.93 -4.97 113.70 112.67 1gqo s SER 50 Ca 0.09 0.84 0.25 0.00 0.70 0.00 0.00 55.95 57.83 1gqo s SER 50 Cb -0.09 0.71 0.90 0.00 -1.71 0.00 0.00 66.02 65.83 1gqo s SER 50 CO 0.02 -0.53 1.65 0.59 1.20 0.00 0.00 173.24 176.17 1gqo n ASN 51 N 1.28 1.65 -4.67 5.45 3.02 -1.26 -2.23 115.26 118.50 1gqo n ASN 51 Ca -0.18 -1.60 -0.36 0.00 -0.03 0.00 0.00 54.58 52.41 1gqo n ASN 51 Cb 0.57 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.91 3.32 0.15 3.10 3.76 -1.26 -4.65 115.29 117.80 1gqo s HIS 52 Ca 0.36 0.19 -0.17 0.00 -0.15 0.00 0.00 55.06 55.29 1gqo s HIS 52 Cb 0.20 -2.19 0.03 0.00 1.11 0.00 0.00 32.58 31.73 1gqo s HIS 52 CO 0.31 0.14 1.76 1.49 -0.85 0.00 0.00 174.74 177.58 1gqo h GLU 53 N 7.07 0.26 -0.80 1.40 4.81 -2.01 -1.86 114.58 123.45 1gqo h GLU 53 Ca -0.39 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.91 1gqo h GLU 53 Cb 1.16 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.43 1gqo h GLU 53 CO 0.70 0.17 0.52 0.78 -0.73 0.00 0.00 179.01 180.45 1gqo h GLY 54 N 0.27 1.09 1.14 1.92 0.00 -1.99 -2.32 103.07 103.18 1gqo h GLY 54 Ca 0.14 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1gqo h GLY 54 CO -0.14 0.22 -0.06 -0.55 0.00 0.00 0.00 176.54 176.01 1gqo h ASP 55 N 0.81 1.01 -0.70 0.19 3.32 -1.76 -1.30 116.42 117.98 1gqo h ASP 55 Ca 0.36 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 55 Cb 0.33 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1gqo h ASP 55 CO -0.13 1.09 0.22 -0.07 -1.72 0.00 0.00 179.24 178.63 1gqo h LEU 56 N 0.91 1.03 -0.65 1.55 3.38 -1.19 -1.55 115.31 118.78 1gqo h LEU 56 Ca 0.15 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1gqo h LEU 56 Cb 0.62 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1gqo h LEU 56 CO 0.04 0.95 -0.07 0.40 0.09 0.00 0.00 178.44 179.85 1gqo h ILE 57 N 1.06 1.26 -0.25 1.22 2.04 -1.28 -0.63 117.51 120.93 1gqo h ILE 57 Ca 0.23 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1gqo h ILE 57 Cb 0.30 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1gqo h ILE 57 CO -0.01 0.43 0.12 0.44 0.00 0.00 0.00 178.15 179.13 1gqo h ASP 58 N 0.88 0.33 -0.65 1.72 3.32 -1.14 -2.26 116.42 118.61 1gqo h ASP 58 Ca 0.15 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 58 Cb 0.61 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1gqo h ASP 58 CO 0.04 0.35 0.25 0.00 -1.72 0.00 0.00 179.24 178.16 1gqo h ALA 59 N 0.99 1.17 -0.10 3.45 0.00 -0.95 -1.59 119.26 122.22 1gqo h ALA 59 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1gqo h ALA 59 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1gqo h ALA 59 CO -0.01 0.59 -0.04 0.82 0.00 0.00 0.00 179.25 180.61 1gqo h ILE 60 N 0.98 1.31 -0.29 0.00 2.04 -0.93 -1.37 117.51 119.26 1gqo h ILE 60 Ca 0.23 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1gqo h ILE 60 Cb 0.22 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1gqo h ILE 60 CO -0.02 0.29 0.01 0.45 0.00 0.00 0.00 178.15 178.88 1gqo h HIS 61 N -0.14 -0.00 0.00 1.37 3.86 -1.31 -2.71 115.15 116.21 1gqo h HIS 61 Ca 0.02 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1gqo h HIS 61 Cb 0.48 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1gqo h HIS 61 CO 0.06 -0.04 0.00 0.39 0.86 0.00 0.00 177.93 179.20 1gqo n GLU 62 N -5.15 0.22 0.08 2.45 1.02 -0.61 -3.79 120.64 114.86 1gqo n GLU 62 Ca -0.00 0.33 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 1gqo n GLU 62 Cb 0.15 -1.84 0.33 0.00 -0.02 0.00 0.00 31.44 30.06 1gqo n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gqo h ALA 63 N 2.39 1.40 -0.99 0.62 0.00 -0.90 -3.26 119.26 118.50 1gqo h ALA 63 Ca 0.00 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 54.88 1gqo h ALA 63 Cb 0.53 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1gqo h ALA 63 CO 0.00 0.42 0.59 1.49 0.00 0.00 0.00 179.25 181.74 1gqo h GLU 64 N 0.30 0.66 -0.17 0.00 4.57 -1.69 0.14 114.58 118.38 1gqo h GLU 64 Ca 0.06 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1gqo h GLU 64 Cb 0.44 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1gqo h GLU 64 CO 0.03 0.43 0.00 0.39 -1.18 0.00 0.00 179.01 178.68 1gqo n GLU 65 N -4.83 1.84 0.00 1.92 1.02 -1.23 -4.47 120.64 114.90 1gqo n GLU 65 Ca 0.24 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.12 1gqo n GLU 65 Cb 0.63 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.49 2.26 -4.53 3.49 7.27 0.00 -5.12 117.38 121.24 1gqo n GLN 66 Ca 0.17 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.99 1gqo n GLN 66 Cb 0.38 -0.64 -0.11 0.00 2.41 0.00 0.00 30.24 32.28 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 -1.02 2.24 -1.20 3.69 1.51 0.26 -4.88 117.35 117.95 1gqo s TYR 67 Ca 0.00 -0.74 0.10 0.00 -1.01 0.00 0.00 57.07 55.41 1gqo s TYR 67 Cb 0.00 -1.47 0.10 0.00 -0.11 0.00 0.00 41.96 40.49 1gqo s TYR 67 CO 0.00 0.30 0.87 -1.13 -1.11 0.00 0.00 175.55 174.48 1gqo n SER 68 N -0.80 1.96 -3.60 2.29 3.41 -0.17 -4.74 113.62 111.97 1gqo n SER 68 Ca -0.04 -1.49 -0.05 0.00 -0.26 0.00 0.00 58.87 57.03 1gqo n SER 68 Cb 0.66 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.85 -0.26 -0.03 5.00 0.00 -1.26 -4.46 107.32 105.46 1gqo s GLY 69 Ca 0.13 1.73 0.04 0.00 0.00 0.00 0.00 44.72 46.61 1gqo s GLY 69 CO 0.13 0.61 -0.13 -0.42 0.00 0.00 0.00 173.10 173.29 1gqo s ILE 70 N -2.23 1.09 -0.31 0.90 1.01 -0.85 -1.65 121.20 119.15 1gqo s ILE 70 Ca 0.09 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1gqo s ILE 70 Cb -0.01 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1gqo s ILE 70 CO -0.05 0.32 0.11 -0.69 0.00 0.00 0.00 174.94 174.63 1gqo s VAL 71 N 0.02 4.07 -0.16 2.92 1.01 -0.17 -1.86 120.40 126.23 1gqo s VAL 71 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1gqo s VAL 71 Cb -0.09 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1gqo s VAL 71 CO 0.01 -0.00 -0.18 -0.22 0.00 0.00 0.00 175.10 174.71 1gqo s LEU 72 N 1.50 2.30 -0.51 3.92 2.96 -0.16 -0.71 118.68 127.97 1gqo s LEU 72 Ca 0.02 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1gqo s LEU 72 Cb -0.18 -1.52 0.13 0.00 0.50 0.00 0.00 46.19 45.13 1gqo s LEU 72 CO 0.03 0.05 0.29 0.21 -1.32 0.00 0.00 176.35 175.61 1gqo s ASN 73 N 1.02 4.95 0.00 3.68 3.84 -0.81 -0.78 114.94 126.83 1gqo s ASN 73 Ca -0.02 -2.61 0.23 0.00 0.21 0.00 0.00 52.86 50.67 1gqo s ASN 73 Cb -0.15 -1.76 1.05 0.00 -0.55 0.00 0.00 41.25 39.84 1gqo s ASN 73 CO -0.05 -0.38 1.72 -0.81 -2.79 0.00 0.00 177.10 174.79 1gqo n PRO 74 N 3.75 1.41 0.00 0.43 -0.04 -1.26 -0.26 135.00 139.03 1gqo n PRO 74 Ca 0.04 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1gqo n PRO 74 Cb 0.38 -1.39 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 1.02 0.94 0.13 0.55 0.00 -1.26 -2.51 105.19 104.07 1gqo n GLY 75 Ca 0.17 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 3.96 0.93 0.29 4.61 0.00 -1.26 -2.08 120.51 126.96 1gqo n ALA 76 Ca 0.00 0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.73 1gqo n ALA 76 Cb 0.00 -1.13 0.86 0.00 0.00 0.00 0.00 19.45 19.17 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 0.00 -1.01 0.00 3.38 -1.86 -2.37 115.31 113.45 1gqo h LEU 77 Ca 0.00 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.23 1gqo h LEU 77 Cb 0.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.76 1gqo h LEU 77 CO 0.00 0.05 0.59 -1.28 0.09 0.00 0.00 178.44 177.89 1gqo h SER 78 N 0.00 0.65 1.14 -0.43 0.87 -1.59 -0.26 113.55 113.94 1gqo h SER 78 Ca -0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1gqo h SER 78 Cb 0.13 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1gqo h SER 78 CO 0.01 0.07 -0.15 1.41 -0.53 0.00 0.00 176.83 177.64 1gqo n HIS 79 N -4.91 0.51 -0.27 2.24 8.25 -0.89 -0.35 115.22 119.80 1gqo n HIS 79 Ca 0.28 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 1gqo n HIS 79 Cb 0.79 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.94 0.00 -2.56 4.41 0.18 -0.81 -4.70 117.16 111.74 1gqo n TYR 80 Ca 0.06 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.41 1gqo n TYR 80 Cb 0.40 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.35 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 6.78 0.54 9.48 0.15 -0.17 -4.75 113.70 125.72 1gqo s SER 81 Ca 0.00 -2.42 0.24 0.00 0.70 0.00 0.00 55.95 54.47 1gqo s SER 81 Cb 0.00 -2.58 1.50 0.00 -1.71 0.00 0.00 66.02 63.23 1gqo s SER 81 CO 0.00 -1.24 2.15 1.88 1.20 0.00 0.00 173.24 177.23 1gqo h TYR 82 N 7.65 0.00 0.00 3.44 -1.99 -1.91 -2.16 116.97 122.00 1gqo h TYR 82 Ca 0.44 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.09 1gqo h TYR 82 Cb 0.87 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1gqo h TYR 82 CO 1.42 0.06 -0.39 0.00 -0.00 0.00 0.00 178.16 179.26 1gqo h ALA 83 N 1.94 1.09 0.02 3.88 0.00 -1.99 -1.76 119.26 122.44 1gqo h ALA 83 Ca -0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 1gqo h ALA 83 Cb 0.14 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1gqo h ALA 83 CO 0.01 0.48 -0.97 0.82 0.00 0.00 0.00 179.25 179.59 1gqo h ILE 84 N 0.00 1.32 -0.22 0.00 2.04 -1.79 -2.37 117.51 116.49 1gqo h ILE 84 Ca -0.00 -2.25 0.05 0.00 1.00 0.00 0.00 64.86 63.66 1gqo h ILE 84 Cb 0.83 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.36 1gqo h ILE 84 CO 0.05 0.68 -0.10 -0.09 0.00 0.00 0.00 178.15 178.69 1gqo h ARG 85 N 0.24 -0.07 -0.08 2.37 2.43 -0.85 -1.12 114.38 117.30 1gqo h ARG 85 Ca -0.13 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 1gqo h ARG 85 Cb 1.64 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 1gqo h ARG 85 CO 0.19 -0.05 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.83 1gqo h ASP 86 N -0.07 0.16 -0.02 -3.80 3.32 -1.32 -1.88 116.42 112.80 1gqo h ASP 86 Ca 0.12 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1gqo h ASP 86 Cb 0.25 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1gqo h ASP 86 CO -0.26 0.49 -0.01 0.00 -1.72 0.00 0.00 179.24 177.74 1gqo h ALA 87 N 1.52 0.03 -0.94 3.45 0.00 -0.80 -2.24 119.26 120.28 1gqo h ALA 87 Ca 0.02 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1gqo h ALA 87 Cb 0.67 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1gqo h ALA 87 CO 0.05 -0.25 0.59 0.28 0.00 0.00 0.00 179.25 179.92 1gqo h VAL 88 N -0.35 1.00 0.00 0.00 2.07 -0.58 -1.79 116.25 116.60 1gqo h VAL 88 Ca 0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1gqo h VAL 88 Cb 0.43 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1gqo h VAL 88 CO 0.00 0.19 0.00 0.28 0.02 0.00 0.00 177.57 178.06 1gqo h SER 89 N 1.02 0.00 -0.52 0.57 0.02 -1.15 -3.02 113.55 110.47 1gqo h SER 89 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1gqo h SER 89 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1gqo h SER 89 CO -0.21 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 173.94 1gqo n SER 90 N -2.82 3.50 -4.59 3.07 3.41 -0.67 -4.91 113.62 110.60 1gqo n SER 90 Ca 0.00 -1.98 -0.24 0.00 -0.26 0.00 0.00 58.87 56.39 1gqo n SER 90 Cb 0.24 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.32 2.93 -1.12 -1.33 -4.36 -1.14 -5.07 121.20 109.79 1gqo s ILE 91 Ca 0.42 -2.07 0.24 0.00 -0.26 0.00 0.00 60.65 58.98 1gqo s ILE 91 Cb 0.23 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1gqo s ILE 91 CO 0.32 -0.33 1.29 -1.54 0.24 0.00 0.00 174.94 174.92 1gqo n SER 92 N -0.84 0.74 -4.79 4.36 3.41 -1.26 -4.96 113.62 110.28 1gqo n SER 92 Ca -0.05 -0.55 -0.36 0.00 -0.26 0.00 0.00 58.87 57.64 1gqo n SER 92 Cb 0.60 0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 64.95 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 -2.93 4.06 0.16 1.04 1.43 -1.26 -5.02 118.68 116.16 1gqo s LEU 93 Ca 0.12 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 54.93 1gqo s LEU 93 Cb 0.17 -4.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 1gqo s LEU 93 CO 0.72 -0.58 1.43 -2.16 0.23 0.00 0.00 176.35 175.99 1gqo s PRO 94 N -2.69 4.30 -0.02 1.29 0.04 -1.26 -4.92 135.00 131.73 1gqo s PRO 94 Ca 0.60 2.17 0.07 0.00 0.04 0.00 0.00 61.00 63.89 1gqo s PRO 94 Cb -0.21 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 1gqo s PRO 94 CO 0.26 -0.45 -0.23 0.08 0.04 0.00 0.00 177.00 176.70 1gqo s VAL 95 N 0.79 1.81 -0.13 -0.36 1.01 -1.26 -2.01 120.40 120.26 1gqo s VAL 95 Ca 0.64 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1gqo s VAL 95 Cb -0.39 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1gqo s VAL 95 CO 0.34 0.51 -0.22 -0.69 0.00 0.00 0.00 175.10 175.04 1gqo s VAL 96 N -0.51 2.00 0.00 2.92 1.01 -0.78 -1.03 120.40 124.01 1gqo s VAL 96 Ca 0.08 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1gqo s VAL 96 Cb -0.09 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1gqo s VAL 96 CO -0.01 0.54 0.55 -0.70 0.00 0.00 0.00 175.10 175.49 1gqo s GLU 97 N 0.70 4.24 -0.03 2.72 2.12 -0.72 -0.99 118.70 126.74 1gqo s GLU 97 Ca -0.10 0.67 0.02 0.00 0.36 0.00 0.00 54.97 55.91 1gqo s GLU 97 Cb -0.16 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.93 1gqo s GLU 97 CO 0.01 0.45 -0.07 0.08 -0.54 0.00 0.00 175.26 175.20 1gqo s VAL 98 N -0.45 0.66 -0.02 3.70 1.01 0.04 -1.47 120.40 123.87 1gqo s VAL 98 Ca 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1gqo s VAL 98 Cb -0.18 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 1gqo s VAL 98 CO 0.16 0.23 -0.11 -1.00 0.00 0.00 0.00 175.10 174.39 1gqo s HIS 99 N 0.46 1.03 -0.14 5.22 3.76 -0.84 -4.06 115.29 120.71 1gqo s HIS 99 Ca -0.07 -0.23 -0.28 0.00 -0.15 0.00 0.00 55.06 54.33 1gqo s HIS 99 Cb -0.11 -0.70 -0.25 0.00 1.11 0.00 0.00 32.58 32.63 1gqo s HIS 99 CO 0.01 -0.07 0.73 -0.07 -0.85 0.00 0.00 174.74 174.48 1gqo h LEU 100 N 6.15 0.00-10.44 0.89 4.07 -1.87 -2.51 115.31 111.61 1gqo h LEU 100 Ca -0.33 -0.96 -0.50 0.00 0.08 0.00 0.00 57.88 56.17 1gqo h LEU 100 Cb 1.17 -0.00 0.08 0.00 1.08 0.00 0.00 40.66 42.99 1gqo h LEU 100 CO 0.49 1.04 0.41 -0.94 -1.08 0.00 0.00 178.44 178.36 1gqo s SER 101 N -6.27 5.60 -0.95 -0.43 1.04 -1.26 -1.13 113.70 110.29 1gqo s SER 101 Ca -0.20 1.22 -0.24 0.00 0.48 0.00 0.00 55.95 57.22 1gqo s SER 101 Cb -0.02 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.05 1gqo s SER 101 CO 0.68 -1.25 1.48 0.21 0.98 0.00 0.00 173.24 175.34 1gqo s ASN 102 N -4.28 6.26 0.42 7.02 3.84 -1.26 -2.58 114.94 124.37 1gqo s ASN 102 Ca 0.57 -1.14 0.17 0.00 0.21 0.00 0.00 52.86 52.67 1gqo s ASN 102 Cb -0.11 -2.57 1.07 0.00 -0.55 0.00 0.00 41.25 39.09 1gqo s ASN 102 CO 0.52 -1.72 1.89 -0.07 -2.79 0.00 0.00 177.10 174.93 1gqo h LEU 103 N 13.48 0.39 -2.03 3.21 3.38 -1.91 -1.09 115.31 130.74 1gqo h LEU 103 Ca 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1gqo h LEU 103 Cb 1.02 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1gqo h LEU 103 CO 1.37 0.18 -0.09 1.88 0.09 0.00 0.00 178.44 181.87 1gqo h TYR 104 N 0.41 0.00 -0.03 1.13 0.99 -1.87 -1.15 116.97 116.44 1gqo h TYR 104 Ca 0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 1gqo h TYR 104 Cb 0.99 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.72 1gqo h TYR 104 CO -0.00 0.09 0.00 0.00 -0.00 0.00 0.00 178.16 178.25 1gqo n ALA 105 N -2.31 2.59 -2.44 3.88 0.00 -0.41 -4.94 120.51 116.88 1gqo n ALA 105 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1gqo n ALA 105 Cb 0.20 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.03 3.23 -1.47 0.00 1.74 -0.43 -5.07 116.66 114.63 1gqo n ARG 106 Ca 0.19 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.93 1gqo n ARG 106 Cb 0.30 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.83 1gqo n ARG 106 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1gqo s GLU 107 N 1.97 2.17 0.40 5.56 8.01 -1.26 -4.91 118.70 130.65 1gqo s GLU 107 Ca 0.00 1.81 0.12 0.00 0.01 0.00 0.00 54.97 56.91 1gqo s GLU 107 Cb 0.00 -1.83 0.94 0.00 -4.31 0.00 0.00 34.13 28.93 1gqo s GLU 107 CO 0.00 -1.82 1.95 1.49 0.01 0.00 0.00 175.26 176.89 1gqo h GLU 108 N -0.19 0.52 0.00 1.61 4.81 -1.95 -0.94 114.58 118.44 1gqo h GLU 108 Ca -0.48 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1gqo h GLU 108 Cb 1.30 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1gqo h GLU 108 CO 0.50 0.34 -0.03 0.27 -0.73 0.00 0.00 179.01 179.36 1gqo h PHE 109 N 0.53 0.00 -0.01 0.92 -5.15 -1.97 -2.05 116.94 109.22 1gqo h PHE 109 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 1gqo h PHE 109 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.72 1gqo h PHE 109 CO -0.00 0.03 -0.02 0.54 -2.00 0.00 0.00 178.31 176.86 1gqo n ARG 110 N -3.23 1.13 -0.00 6.09 1.74 -0.36 -4.10 116.66 117.93 1gqo n ARG 110 Ca -0.01 -0.35 0.15 0.00 -0.77 0.00 0.00 57.85 56.86 1gqo n ARG 110 Cb 0.21 -1.49 0.74 0.00 -1.02 0.00 0.00 32.46 30.89 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 -0.63 0.01 -4.47 -1.55 8.25 -0.77 -4.76 115.22 111.31 1gqo n HIS 111 Ca 0.20 -0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.44 1gqo n HIS 111 Cb 0.22 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.99 1.06 -0.12 -0.41 0.00 -1.26 -5.01 119.66 111.93 1gqo s GLN 112 Ca 0.42 -0.74 0.01 0.00 -0.00 0.00 0.00 55.36 55.05 1gqo s GLN 112 Cb 0.21 -1.08 -0.01 0.00 0.00 0.00 0.00 33.01 32.12 1gqo s GLN 112 CO 0.34 0.28 -0.16 0.45 0.00 0.00 0.00 175.29 176.20 1gqo s SER 113 N -0.99 3.78 0.00 12.60 0.15 -1.26 -4.25 113.70 123.73 1gqo s SER 113 Ca 0.03 -0.39 0.27 0.00 0.70 0.00 0.00 55.95 56.56 1gqo s SER 113 Cb -0.08 -1.56 0.83 0.00 -1.71 0.00 0.00 66.02 63.50 1gqo s SER 113 CO 0.01 0.16 1.61 1.33 1.20 0.00 0.00 173.24 177.55 1gqo n VAL 114 N 3.55 0.00 -0.03 4.45 0.24 0.53 -4.00 118.33 123.07 1gqo n VAL 114 Ca -0.18 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 1gqo n VAL 114 Cb 0.53 0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 33.10 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 -0.68 1.70 -0.32 1.34 5.41 -1.25 -4.57 119.36 120.99 1gqo n ILE 115 Ca 0.13 -0.43 0.10 0.00 1.00 0.00 0.00 62.75 63.55 1gqo n ILE 115 Cb 0.34 -1.85 0.27 0.00 -0.71 0.00 0.00 39.64 37.69 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 -0.14 1.46 -0.37 -1.39 0.00 -1.91 -2.28 119.26 114.63 1gqo h ALA 116 Ca -0.40 0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1gqo h ALA 116 Cb 1.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1gqo h ALA 116 CO -0.02 -0.06 0.48 -1.35 0.00 0.00 0.00 179.25 178.29 1gqo h PRO 117 N 0.69 0.00 -0.02 0.00 0.11 -1.80 -1.91 132.00 129.07 1gqo h PRO 117 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1gqo h PRO 117 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1gqo h PRO 117 CO -0.37 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.75 1gqo n VAL 118 N -3.52 0.01 -2.68 3.15 0.24 -0.86 -4.98 118.33 109.68 1gqo n VAL 118 Ca 0.06 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.65 1gqo n VAL 118 Cb 0.63 1.27 0.04 0.00 -1.47 0.00 0.00 33.84 34.31 1gqo n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gqo s ALA 119 N -1.09 3.96 0.20 2.33 0.00 -0.72 -4.72 121.76 121.73 1gqo s ALA 119 Ca 0.15 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 1gqo s ALA 119 Cb 0.11 -2.02 0.14 0.00 0.00 0.00 0.00 23.12 21.35 1gqo s ALA 119 CO 0.16 -0.75 1.85 0.87 0.00 0.00 0.00 175.76 177.89 1gqo h LYS 120 N 0.09 0.97 0.00 0.00 1.79 -1.36 -3.48 116.57 114.57 1gqo h LYS 120 Ca -0.41 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1gqo h LYS 120 Cb 1.29 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1gqo h LYS 120 CO 0.51 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.96 1gqo n GLY 121 N -1.20 -1.40 3.25 3.86 0.00 -1.25 -5.07 105.19 103.38 1gqo n GLY 121 Ca 0.06 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.25 0.41 -0.14 1.61 0.74 -1.26 -1.76 119.66 118.02 1gqo s GLN 122 Ca 0.00 0.54 0.02 0.00 0.05 0.00 0.00 55.36 55.97 1gqo s GLN 122 Cb 0.00 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.29 1gqo s GLN 122 CO 0.00 -0.07 -0.21 0.42 -0.55 0.00 0.00 175.29 174.89 1gqo s ILE 123 N 0.36 1.97 -0.02 -2.34 1.01 -0.54 -4.97 121.20 116.67 1gqo s ILE 123 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1gqo s ILE 123 Cb -0.03 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1gqo s ILE 123 CO -0.01 0.53 -0.00 -0.69 0.00 0.00 0.00 174.94 174.77 1gqo s VAL 124 N 0.91 0.12 0.00 2.92 1.01 -1.26 -1.99 120.40 122.11 1gqo s VAL 124 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1gqo s VAL 124 Cb -0.15 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1gqo s VAL 124 CO -0.03 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1gqo n GLY 125 N 3.67 0.87 1.47 4.51 0.00 -0.94 -4.86 105.19 109.90 1gqo n GLY 125 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 4.30 0.00 0.99 4.77 -1.21 -4.48 117.00 121.36 1gqo n LEU 126 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 1gqo n LEU 126 Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1gqo n LEU 126 CO 0.00 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1gqo n GLY 127 N 0.09 0.90 0.30 -0.72 0.00 -0.29 -3.79 105.19 101.69 1gqo n GLY 127 Ca 0.23 -0.83 0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.98 1.02 -0.27 4.61 0.00 -1.86 -2.66 119.26 119.12 1gqo h ALA 128 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 128 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gqo h ALA 128 CO 0.00 0.01 0.27 1.49 0.00 0.00 0.00 179.25 181.02 1gqo h GLU 129 N 0.00 0.00 -0.95 0.00 4.57 -1.99 -1.30 114.58 114.90 1gqo h GLU 129 Ca -0.00 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1gqo h GLU 129 Cb 0.33 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.84 1gqo h GLU 129 CO 0.00 0.00 0.61 0.78 -1.18 0.00 0.00 179.01 179.22 1gqo h GLY 130 N 0.00 1.46 1.01 1.92 0.00 -1.57 0.13 103.07 106.02 1gqo h GLY 130 Ca 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1gqo h GLY 130 CO -0.00 0.15 0.39 -0.97 0.00 0.00 0.00 176.54 176.11 1gqo h TYR 131 N 0.90 0.98 -0.39 5.60 -1.99 -1.46 -0.92 116.97 119.69 1gqo h TYR 131 Ca 0.47 -0.02 -0.15 0.00 2.00 0.00 0.00 58.73 61.02 1gqo h TYR 131 Cb 0.53 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 1gqo h TYR 131 CO -0.00 0.69 -0.34 0.87 -0.00 0.00 0.00 178.16 179.38 1gqo h LYS 132 N 0.98 0.91 -0.69 4.88 1.57 -0.96 -1.47 116.57 121.78 1gqo h LYS 132 Ca 0.25 -0.46 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1gqo h LYS 132 Cb 0.04 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1gqo h LYS 132 CO -0.04 1.12 0.44 -0.07 -0.57 0.00 0.00 179.45 180.33 1gqo h LEU 133 N 0.73 0.73 -0.20 2.94 3.38 -0.82 0.12 115.31 122.18 1gqo h LEU 133 Ca 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1gqo h LEU 133 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1gqo h LEU 133 CO 0.09 0.51 0.11 0.00 0.09 0.00 0.00 178.44 179.24 1gqo h ALA 134 N 1.29 0.26 -0.87 1.53 0.00 -0.97 -0.88 119.26 119.62 1gqo h ALA 134 Ca 0.27 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1gqo h ALA 134 Cb -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1gqo h ALA 134 CO -0.10 -0.22 0.52 0.28 0.00 0.00 0.00 179.25 179.74 1gqo h VAL 135 N 0.23 0.96 -0.54 0.00 2.07 -0.35 -0.77 116.25 117.86 1gqo h VAL 135 Ca 0.07 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1gqo h VAL 135 Cb 0.06 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1gqo h VAL 135 CO -0.01 0.16 0.30 0.03 0.02 0.00 0.00 177.57 178.07 1gqo h ARG 136 N 0.89 0.56 -0.70 1.57 3.08 -0.41 0.14 114.38 119.52 1gqo h ARG 136 Ca 0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1gqo h ARG 136 Cb 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1gqo h ARG 136 CO -0.22 0.37 0.45 -0.92 -1.07 0.00 0.00 179.97 178.58 1gqo h TYR 137 N 0.58 0.90 -0.63 3.04 3.20 -0.45 -0.16 116.97 123.45 1gqo h TYR 137 Ca 0.23 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 1gqo h TYR 137 Cb 0.10 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 1gqo h TYR 137 CO -0.08 0.58 0.13 -0.07 -1.64 0.00 0.00 178.16 177.08 1gqo h LEU 138 N 0.95 0.97 -0.87 2.82 4.07 -0.36 -2.09 115.31 120.80 1gqo h LEU 138 Ca 0.25 -0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.00 1gqo h LEU 138 Cb -0.08 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.35 1gqo h LEU 138 CO -0.05 0.97 0.56 -0.07 -1.08 0.00 0.00 178.44 178.77 1gqo h LEU 139 N 0.94 0.94 -0.33 1.67 3.38 -0.25 -2.16 115.31 119.49 1gqo h LEU 139 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1gqo h LEU 139 Cb 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1gqo h LEU 139 CO 0.01 0.65 0.00 -1.54 0.09 0.00 0.00 178.44 177.64 1gqo n SER 140 N -4.54 0.70 -0.35 -0.43 3.41 -0.12 -5.09 113.62 107.21 1gqo n SER 140 Ca 0.11 0.61 0.15 0.00 -0.26 0.00 0.00 58.87 59.48 1gqo n SER 140 Cb 0.08 -0.78 0.64 0.00 -0.26 0.00 0.00 64.21 63.89 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88