#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 3.17 0.14 0.54 2.46 -1.26 0.18 115.29 120.52 1gqo s HIS 2 Ca 0.00 -2.21 0.09 0.00 0.47 0.00 0.00 55.06 53.41 1gqo s HIS 2 Cb 0.00 -1.92 -0.04 0.00 -0.13 0.00 0.00 32.58 30.49 1gqo s HIS 2 CO 0.00 -0.87 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.18 1gqo s PHE 3 N 1.14 2.55 -0.19 3.88 2.99 -0.53 -1.30 117.98 126.52 1gqo s PHE 3 Ca -0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 56.93 56.49 1gqo s PHE 3 Cb -0.19 -1.32 -0.05 0.00 0.00 0.00 0.00 43.02 41.47 1gqo s PHE 3 CO -0.06 0.43 0.19 -1.17 -0.00 0.00 0.00 175.22 174.61 1gqo s LEU 4 N -2.36 4.21 -0.44 -0.37 0.20 -1.03 -1.51 118.68 117.39 1gqo s LEU 4 Ca 0.20 0.33 -0.07 0.00 0.69 0.00 0.00 54.13 55.28 1gqo s LEU 4 Cb -0.10 -2.20 0.11 0.00 -0.43 0.00 0.00 46.19 43.58 1gqo s LEU 4 CO 0.11 0.14 0.28 -0.63 -0.29 0.00 0.00 176.35 175.97 1gqo s ILE 5 N 0.46 3.84 -0.25 6.68 -1.09 -0.25 -1.54 121.20 129.05 1gqo s ILE 5 Ca 0.11 -1.88 -0.07 0.00 -2.23 0.00 0.00 60.65 56.58 1gqo s ILE 5 Cb -0.12 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1gqo s ILE 5 CO 0.01 -0.73 0.07 -0.22 -1.23 0.00 0.00 174.94 172.84 1gqo s LEU 6 N 1.28 3.45 -0.05 2.97 0.20 0.00 -1.95 118.68 124.57 1gqo s LEU 6 Ca 0.07 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 54.70 1gqo s LEU 6 Cb -0.25 -1.92 -0.02 0.00 -0.43 0.00 0.00 46.19 43.58 1gqo s LEU 6 CO -0.02 -0.04 -0.21 0.20 -0.29 0.00 0.00 176.35 175.99 1gqo s ASN 7 N 1.61 3.45 0.31 3.68 0.01 0.08 -1.92 114.94 122.16 1gqo s ASN 7 Ca 0.06 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1gqo s ASN 7 Cb -0.15 -0.78 0.00 0.00 0.41 0.00 0.00 41.25 40.73 1gqo s ASN 7 CO 0.03 0.29 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 1gqo n GLY 8 N 2.66 0.62 3.77 0.66 0.00 0.10 -1.50 105.19 111.51 1gqo n GLY 8 Ca -0.17 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1gqo n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gqo s PRO 9 N -1.23 3.83 0.00 1.61 0.04 -1.00 -2.63 135.00 135.61 1gqo s PRO 9 Ca 0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1gqo s PRO 9 Cb 0.00 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1gqo s PRO 9 CO 0.00 -0.70 0.00 0.09 0.04 0.00 0.00 177.00 176.43 1gqo n ASN 10 N 0.01 0.00 0.26 6.66 3.02 -1.26 -4.49 115.26 119.45 1gqo n ASN 10 Ca 0.04 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.70 1gqo n ASN 10 Cb 0.41 -0.70 0.69 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.71 0.00 2.41 2.07 -1.87 0.17 116.25 119.73 1gqo h VAL 11 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1gqo h VAL 11 Cb 0.00 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1gqo h VAL 11 CO 0.00 0.12 0.00 -0.55 0.02 0.00 0.00 177.57 177.16 1gqo h ASN 12 N 0.00 0.00 -0.05 0.57 -1.07 -1.88 -2.85 115.58 110.30 1gqo h ASN 12 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1gqo h ASN 12 Cb 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 1gqo h ASN 12 CO 0.02 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.06 1gqo n ARG 13 N -2.30 2.05 -1.64 4.14 5.12 0.05 -4.67 116.66 119.40 1gqo n ARG 13 Ca -0.00 -1.54 -0.56 0.00 -1.93 0.00 0.00 57.85 53.82 1gqo n ARG 13 Cb 0.11 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 29.88 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 0.85 1.75 0.00 0.55 4.32 -1.07 -1.46 117.00 121.94 1gqo n LEU 14 Ca 0.16 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.26 1gqo n LEU 14 Cb 0.49 -1.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 1gqo n LEU 14 CO 0.16 -0.87 0.00 0.61 -1.22 0.00 0.00 177.39 176.06 1gqo n GLY 15 N 3.17 0.63 0.10 -0.72 0.00 -1.23 -4.04 105.19 103.10 1gqo n GLY 15 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 1gqo n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqo n SER 16 N 0.00 1.08 -4.04 1.61 7.64 -0.54 -5.00 113.62 114.37 1gqo n SER 16 Ca 0.00 -0.93 -0.11 0.00 1.01 0.00 0.00 58.87 58.84 1gqo n SER 16 Cb 0.00 0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 63.82 1gqo n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gqo s ARG 17 N -2.88 1.40 0.00 1.43 1.70 -1.26 -5.06 118.95 114.28 1gqo s ARG 17 Ca 0.12 -1.48 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 1gqo s ARG 17 Cb 0.17 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1gqo s ARG 17 CO 0.76 -0.53 0.00 -0.85 -1.08 0.00 0.00 175.30 173.60 1gqo n GLU 18 N -0.34 0.00 0.23 3.89 0.28 -1.26 -4.66 120.64 118.77 1gqo n GLU 18 Ca 0.01 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.16 1gqo n GLU 18 Cb 0.64 0.00 0.79 0.00 1.43 0.00 0.00 31.44 34.30 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 0.00 0.00 0.26 3.44 0.13 -1.94 -1.98 132.00 131.91 1gqo h PRO 19 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1gqo h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1gqo h PRO 19 CO 0.00 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 178.58 1gqo h GLU 20 N 0.00 -0.33 0.41 0.86 3.07 -1.86 -1.82 114.58 114.91 1gqo h GLU 20 Ca 0.00 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1gqo h GLU 20 Cb 0.11 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 1gqo h GLU 20 CO 0.00 -0.22 -0.44 0.28 -1.40 0.00 0.00 179.01 177.23 1gqo h VAL 21 N -0.73 0.12 -0.01 3.13 2.07 -1.88 -3.24 116.25 115.71 1gqo h VAL 21 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1gqo h VAL 21 Cb 0.27 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1gqo h VAL 21 CO 0.06 0.00 -0.30 0.49 0.02 0.00 0.00 177.57 177.83 1gqo n PHE 22 N -5.52 0.00 -0.10 1.57 3.01 -0.76 -4.34 117.46 111.32 1gqo n PHE 22 Ca -0.11 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.37 1gqo n PHE 22 Cb 0.42 -0.12 -0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 1.36 -1.59 0.18 1.37 0.00 -0.68 -4.71 105.19 101.11 1gqo n GLY 23 Ca 0.11 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.10 -0.34 -4.96 1.61 2.47 -1.94 -3.40 114.38 107.72 1gqo h ARG 24 Ca -0.00 0.02 -0.49 0.00 -1.26 0.00 0.00 59.98 58.25 1gqo h ARG 24 Cb 0.10 0.08 0.16 0.00 -1.65 0.00 0.00 29.97 28.65 1gqo h ARG 24 CO 0.00 -0.20 -1.07 0.00 0.56 0.00 0.00 179.97 179.27 1gqo n GLN 25 N -5.01 0.00 -3.84 0.04 10.64 -1.26 -4.52 117.38 113.43 1gqo n GLN 25 Ca -0.05 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.90 1gqo n GLN 25 Cb 0.15 -0.83 -0.05 0.00 -0.86 0.00 0.00 30.24 28.66 1gqo n GLN 25 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1gqo s THR 26 N -1.65 2.81 0.33 -0.39 -4.23 -1.26 -3.50 115.64 107.74 1gqo s THR 26 Ca 0.44 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1gqo s THR 26 Cb -0.36 -3.03 0.25 0.00 1.34 0.00 0.00 72.50 70.70 1gqo s THR 26 CO 0.57 -0.07 1.97 0.25 -0.54 0.00 0.00 174.62 176.81 1gqo h LEU 27 N 1.26 0.79 -0.55 4.79 5.85 -1.82 -1.83 115.31 123.80 1gqo h LEU 27 Ca -0.43 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1gqo h LEU 27 Cb 1.26 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1gqo h LEU 27 CO 0.61 0.60 0.24 0.74 -0.34 0.00 0.00 178.44 180.30 1gqo h THR 28 N 0.92 1.21 -0.20 1.05 2.02 -1.94 0.07 112.91 116.04 1gqo h THR 28 Ca 0.24 -0.63 0.06 0.00 0.77 0.00 0.00 66.41 66.84 1gqo h THR 28 Cb -0.05 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 66.89 1gqo h THR 28 CO -0.05 0.25 -0.29 0.44 0.37 0.00 0.00 175.52 176.24 1gqo h ASP 29 N 0.75 -0.92 -0.75 4.18 3.32 -1.75 -1.23 116.42 120.01 1gqo h ASP 29 Ca 0.19 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1gqo h ASP 29 Cb 0.16 0.41 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1gqo h ASP 29 CO -0.02 -0.33 0.45 0.40 -1.72 0.00 0.00 179.24 178.03 1gqo h ILE 30 N -0.33 1.21 -0.69 0.35 2.04 -1.05 -2.18 117.51 116.86 1gqo h ILE 30 Ca 0.12 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.56 1gqo h ILE 30 Cb 0.51 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1gqo h ILE 30 CO -0.38 0.22 0.41 -0.33 0.00 0.00 0.00 178.15 178.07 1gqo h GLU 31 N 1.02 0.77 -0.38 2.37 5.08 -0.55 -1.61 114.58 121.28 1gqo h GLU 31 Ca 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1gqo h GLU 31 Cb -0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1gqo h GLU 31 CO -0.05 0.51 0.18 1.15 -1.00 0.00 0.00 179.01 179.80 1gqo h THR 32 N 0.79 1.17 -0.50 1.13 2.02 -0.82 0.29 112.91 117.00 1gqo h THR 32 Ca 0.29 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 1gqo h THR 32 Cb 0.08 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1gqo h THR 32 CO -0.13 0.18 0.22 -0.78 0.37 0.00 0.00 175.52 175.38 1gqo h ASP 33 N 0.48 0.66 -0.12 4.18 1.82 -1.13 -1.24 116.42 121.07 1gqo h ASP 33 Ca 0.13 -0.14 -0.10 0.00 -0.39 0.00 0.00 57.03 56.53 1gqo h ASP 33 Cb 0.12 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 1gqo h ASP 33 CO -0.02 0.62 -0.23 -0.07 -1.61 0.00 0.00 179.24 177.93 1gqo h LEU 34 N 0.66 0.56 -0.42 2.28 3.38 -1.12 0.60 115.31 121.24 1gqo h LEU 34 Ca 0.17 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1gqo h LEU 34 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1gqo h LEU 34 CO -0.02 0.78 -0.14 0.15 0.09 0.00 0.00 178.44 179.30 1gqo h PHE 35 N 0.49 0.96 -0.69 1.13 3.57 -0.38 0.28 116.94 122.29 1gqo h PHE 35 Ca 0.07 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 1gqo h PHE 35 Cb 0.67 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1gqo h PHE 35 CO 0.02 0.98 0.29 1.96 -2.23 0.00 0.00 178.31 179.33 1gqo h GLN 36 N 0.66 1.02 -0.17 1.11 4.20 -0.69 -1.87 115.11 119.38 1gqo h GLN 36 Ca 0.10 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.50 1gqo h GLN 36 Cb 0.69 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1gqo h GLN 36 CO 0.05 0.84 -0.42 0.35 -0.67 0.00 0.00 178.83 178.98 1gqo h PHE 37 N 0.97 0.75 -0.61 2.96 3.57 0.54 -3.23 116.94 121.88 1gqo h PHE 37 Ca 0.23 -0.29 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1gqo h PHE 37 Cb 0.19 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1gqo h PHE 37 CO 0.01 1.05 0.08 0.00 -2.23 0.00 0.00 178.31 177.22 1gqo h ALA 38 N 0.56 0.82 -0.88 2.41 0.00 -0.04 -3.12 119.26 119.01 1gqo h ALA 38 Ca -0.01 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1gqo h ALA 38 Cb 1.03 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1gqo h ALA 38 CO 0.09 0.59 0.51 0.93 0.00 0.00 0.00 179.25 181.38 1gqo h GLU 39 N 0.93 0.80 0.00 0.00 3.07 -1.43 -1.55 114.58 116.40 1gqo h GLU 39 Ca 0.18 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1gqo h GLU 39 Cb 0.45 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1gqo h GLU 39 CO 0.02 0.53 0.00 0.00 -1.40 0.00 0.00 179.01 178.15 1gqo n ALA 40 N -2.38 2.22 -0.04 3.43 0.00 -1.18 -1.99 120.51 120.58 1gqo n ALA 40 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1gqo n ALA 40 Cb 0.33 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1gqo n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gqo n LEU 41 N -0.77 0.11 -2.90 0.00 4.77 -1.09 -5.07 117.00 112.05 1gqo n LEU 41 Ca 0.08 -0.41 -0.04 0.00 -0.03 0.00 0.00 56.01 55.61 1gqo n LEU 41 Cb 0.04 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1gqo n LEU 41 CO 0.06 0.03 0.22 1.41 -1.33 0.00 0.00 177.39 177.78 1gqo n HIS 42 N -0.62 -2.46 -3.98 -1.77 8.25 -0.64 -4.99 115.22 109.01 1gqo n HIS 42 Ca 0.00 0.92 -0.11 0.00 -0.26 0.00 0.00 57.72 58.27 1gqo n HIS 42 Cb 0.01 -3.82 -0.12 0.00 1.12 0.00 0.00 29.99 27.18 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 -3.10 0.17 0.14 1.59 -4.36 -0.84 -4.03 121.20 110.77 1gqo s ILE 43 Ca 0.12 -0.64 -0.01 0.00 -0.26 0.00 0.00 60.65 59.86 1gqo s ILE 43 Cb -0.02 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.40 1gqo s ILE 43 CO 0.65 -0.30 0.32 -1.10 0.24 0.00 0.00 174.94 174.75 1gqo s GLN 44 N -0.98 3.50 0.05 0.37 -0.21 0.47 -4.22 119.66 118.65 1gqo s GLN 44 Ca -0.09 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 54.96 1gqo s GLN 44 Cb -0.07 -2.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.00 1gqo s GLN 44 CO -0.00 0.50 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.04 1gqo s LEU 45 N -2.93 2.24 -0.05 2.90 1.43 -1.26 -1.45 118.68 119.56 1gqo s LEU 45 Ca 0.37 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1gqo s LEU 45 Cb -0.12 -0.36 -0.01 0.00 0.03 0.00 0.00 46.19 45.73 1gqo s LEU 45 CO 0.28 -0.11 -0.20 -0.89 0.23 0.00 0.00 176.35 175.66 1gqo s THR 46 N -1.20 1.62 -0.07 5.49 2.01 -0.57 -4.96 115.64 117.97 1gqo s THR 46 Ca -0.05 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1gqo s THR 46 Cb -0.09 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1gqo s THR 46 CO 0.01 0.46 0.02 -0.36 -0.69 0.00 0.00 174.62 174.06 1gqo s PHE 47 N -0.04 3.21 -0.11 4.92 0.40 -1.26 -1.09 117.98 124.01 1gqo s PHE 47 Ca -0.03 0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1gqo s PHE 47 Cb -0.12 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.67 1gqo s PHE 47 CO 0.03 0.50 0.26 0.12 0.70 0.00 0.00 175.22 176.82 1gqo s PHE 48 N -0.95 -0.33 -0.03 0.36 5.36 -0.82 -4.97 117.98 116.59 1gqo s PHE 48 Ca 0.15 0.79 0.04 0.00 -0.96 0.00 0.00 56.93 56.96 1gqo s PHE 48 Cb -0.11 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 1gqo s PHE 48 CO 0.04 -0.22 -0.16 -1.14 -1.46 0.00 0.00 175.22 172.28 1gqo s GLN 49 N 1.04 1.56 -0.03 10.12 -0.44 -1.26 -0.74 119.66 129.92 1gqo s GLN 49 Ca -0.07 -0.57 -0.17 0.00 -2.50 0.00 0.00 55.36 52.04 1gqo s GLN 49 Cb -0.09 -1.41 0.03 0.00 -1.64 0.00 0.00 33.01 29.91 1gqo s GLN 49 CO -0.07 0.27 0.36 0.45 0.50 0.00 0.00 175.29 176.80 1gqo s SER 50 N -0.09 -0.26 0.00 6.67 0.15 -0.56 -4.99 113.70 114.62 1gqo s SER 50 Ca -0.00 0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.11 1gqo s SER 50 Cb -0.10 0.37 0.76 0.00 -1.71 0.00 0.00 66.02 65.34 1gqo s SER 50 CO 0.01 -0.45 1.57 0.59 1.20 0.00 0.00 173.24 176.15 1gqo n ASN 51 N 1.31 1.09 -4.67 5.45 3.02 -1.26 -2.39 115.26 117.80 1gqo n ASN 51 Ca -0.21 -0.95 -0.37 0.00 -0.03 0.00 0.00 54.58 53.02 1gqo n ASN 51 Cb 0.56 0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.78 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 -2.46 3.34 0.19 3.10 3.76 -1.26 -4.62 115.29 117.34 1gqo s HIS 52 Ca 0.25 0.37 -0.15 0.00 -0.15 0.00 0.00 55.06 55.38 1gqo s HIS 52 Cb 0.19 -2.35 0.17 0.00 1.11 0.00 0.00 32.58 31.70 1gqo s HIS 52 CO 0.51 0.06 1.64 1.49 -0.85 0.00 0.00 174.74 177.59 1gqo h GLU 53 N 7.39 -0.00 -0.36 1.40 4.81 -2.01 -1.62 114.58 124.19 1gqo h GLU 53 Ca -0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1gqo h GLU 53 Cb 1.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1gqo h GLU 53 CO 0.69 -0.00 0.17 0.78 -0.73 0.00 0.00 179.01 179.92 1gqo h GLY 54 N -0.00 0.53 1.75 1.92 0.00 -1.99 -1.72 103.07 103.56 1gqo h GLY 54 Ca 0.25 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1gqo h GLY 54 CO -0.54 0.22 -0.39 -0.55 0.00 0.00 0.00 176.54 175.28 1gqo h ASP 55 N 0.50 0.30 -0.17 0.19 3.32 -1.72 0.25 116.42 119.08 1gqo h ASP 55 Ca 0.13 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1gqo h ASP 55 Cb 0.05 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1gqo h ASP 55 CO -0.02 0.66 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.95 1gqo h LEU 56 N 0.24 0.42 -0.87 1.55 3.38 -1.25 -1.53 115.31 117.25 1gqo h LEU 56 Ca 0.02 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gqo h LEU 56 Cb 0.80 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1gqo h LEU 56 CO 0.06 0.80 0.53 0.40 0.09 0.00 0.00 178.44 180.32 1gqo h ILE 57 N 0.05 1.24 -0.06 1.22 2.04 -1.03 -0.93 117.51 120.04 1gqo h ILE 57 Ca 0.03 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1gqo h ILE 57 Cb 0.67 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1gqo h ILE 57 CO 0.04 0.25 0.03 0.44 0.00 0.00 0.00 178.15 178.91 1gqo h ASP 58 N 1.19 0.05 -0.82 1.72 3.32 -0.89 -2.17 116.42 118.83 1gqo h ASP 58 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1gqo h ASP 58 Cb -0.06 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1gqo h ASP 58 CO -0.06 0.04 0.42 0.00 -1.72 0.00 0.00 179.24 177.92 1gqo h ALA 59 N 1.03 1.19 -0.34 3.45 0.00 -0.83 -2.02 119.26 121.75 1gqo h ALA 59 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gqo h ALA 59 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1gqo h ALA 59 CO -0.01 0.63 0.15 0.82 0.00 0.00 0.00 179.25 180.84 1gqo h ILE 60 N 1.16 1.17 -0.76 0.00 2.04 -0.95 -1.60 117.51 118.56 1gqo h ILE 60 Ca 0.29 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1gqo h ILE 60 Cb 0.07 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1gqo h ILE 60 CO -0.04 0.18 0.46 0.45 0.00 0.00 0.00 178.15 179.20 1gqo h HIS 61 N 0.40 1.01 0.00 1.37 3.86 -1.08 -3.03 115.15 117.68 1gqo h HIS 61 Ca 0.11 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1gqo h HIS 61 Cb 0.14 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1gqo h HIS 61 CO -0.01 0.68 -0.03 0.93 0.86 0.00 0.00 177.93 180.36 1gqo h GLU 62 N 1.05 0.00 -0.40 2.45 5.08 -1.27 -3.32 114.58 118.17 1gqo h GLU 62 Ca 0.27 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1gqo h GLU 62 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1gqo h GLU 62 CO -0.05 0.00 0.05 0.00 -1.00 0.00 0.00 179.01 178.00 1gqo h ALA 63 N 2.43 1.34 -0.96 3.43 0.00 -1.16 -3.25 119.26 121.10 1gqo h ALA 63 Ca 0.00 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 54.95 1gqo h ALA 63 Cb 0.78 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1gqo h ALA 63 CO 0.00 0.46 0.64 1.49 0.00 0.00 0.00 179.25 181.84 1gqo h GLU 64 N 0.59 0.33 -0.67 0.00 4.57 -1.71 0.13 114.58 117.82 1gqo h GLU 64 Ca 0.13 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1gqo h GLU 64 Cb 0.30 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1gqo h GLU 64 CO 0.01 0.22 0.00 0.39 -1.18 0.00 0.00 179.01 178.44 1gqo n GLU 65 N -4.50 2.89 0.00 1.92 1.02 -1.23 -4.57 120.64 116.18 1gqo n GLU 65 Ca 0.21 -2.49 0.00 0.00 -0.02 0.00 0.00 57.16 54.86 1gqo n GLU 65 Cb 0.81 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 1.31 1.81 -4.49 3.49 7.27 0.22 -5.13 117.38 121.87 1gqo n GLN 66 Ca 0.23 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.07 1gqo n GLN 66 Cb 0.66 -0.40 -0.11 0.00 2.41 0.00 0.00 30.24 32.80 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 -0.62 2.14 -1.35 3.69 1.51 0.14 -4.92 117.35 117.93 1gqo s TYR 67 Ca 0.00 -0.71 0.13 0.00 -1.01 0.00 0.00 57.07 55.48 1gqo s TYR 67 Cb 0.00 -1.31 0.25 0.00 -0.11 0.00 0.00 41.96 40.79 1gqo s TYR 67 CO 0.00 0.31 1.14 -1.13 -1.11 0.00 0.00 175.55 174.76 1gqo n SER 68 N -0.71 2.68 -3.63 2.29 3.41 -0.42 -4.72 113.62 112.52 1gqo n SER 68 Ca -0.05 -1.81 -0.03 0.00 -0.26 0.00 0.00 58.87 56.72 1gqo n SER 68 Cb 0.65 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.05 -0.10 -0.06 5.00 0.00 -1.26 -4.39 107.32 105.47 1gqo s GLY 69 Ca 0.22 2.27 0.02 0.00 0.00 0.00 0.00 44.72 47.23 1gqo s GLY 69 CO 0.18 0.86 -0.09 -0.42 0.00 0.00 0.00 173.10 173.63 1gqo s ILE 70 N -1.58 0.90 -0.33 0.90 1.01 -0.63 -2.45 121.20 119.02 1gqo s ILE 70 Ca 0.09 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 1gqo s ILE 70 Cb -0.01 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1gqo s ILE 70 CO -0.05 0.30 0.27 -0.69 0.00 0.00 0.00 174.94 174.77 1gqo s VAL 71 N 0.77 5.26 -0.12 2.92 1.01 -0.59 -1.00 120.40 128.65 1gqo s VAL 71 Ca -0.13 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1gqo s VAL 71 Cb -0.15 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1gqo s VAL 71 CO 0.02 0.02 -0.20 -0.22 0.00 0.00 0.00 175.10 174.72 1gqo s LEU 72 N 1.81 1.96 -0.42 3.92 2.96 0.34 -0.82 118.68 128.43 1gqo s LEU 72 Ca 0.08 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1gqo s LEU 72 Cb -0.17 -1.29 0.11 0.00 0.50 0.00 0.00 46.19 45.34 1gqo s LEU 72 CO 0.11 0.07 0.15 0.21 -1.32 0.00 0.00 176.35 175.57 1gqo s ASN 73 N 0.76 4.65 0.00 3.68 3.84 -0.81 -0.94 114.94 126.12 1gqo s ASN 73 Ca -0.10 -2.50 0.27 0.00 0.21 0.00 0.00 52.86 50.74 1gqo s ASN 73 Cb -0.16 -1.65 1.22 0.00 -0.55 0.00 0.00 41.25 40.11 1gqo s ASN 73 CO 0.01 -0.33 1.83 -0.81 -2.79 0.00 0.00 177.10 175.00 1gqo n PRO 74 N 3.81 1.42 0.00 0.43 -0.04 -1.26 0.01 135.00 139.37 1gqo n PRO 74 Ca 0.04 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1gqo n PRO 74 Cb 0.38 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 1.07 0.08 0.12 0.55 0.00 -1.26 -2.75 105.19 103.00 1gqo n GLY 75 Ca 0.19 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 3.09 1.41 0.32 4.61 0.00 -1.26 -1.99 120.51 126.69 1gqo n ALA 76 Ca 0.00 0.11 0.20 0.00 0.00 0.00 0.00 53.44 53.75 1gqo n ALA 76 Cb 0.00 -1.33 1.11 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.31 0.00 3.38 -1.89 -1.36 115.31 114.13 1gqo h LEU 77 Ca 0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1gqo h LEU 77 Cb 0.21 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.86 1gqo h LEU 77 CO 0.00 0.00 0.66 -1.28 0.09 0.00 0.00 178.44 177.91 1gqo h SER 78 N 0.00 0.48 0.57 -0.43 0.87 -1.56 -1.13 113.55 112.35 1gqo h SER 78 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1gqo h SER 78 Cb 0.08 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1gqo h SER 78 CO -0.00 0.09 -0.30 1.41 -0.53 0.00 0.00 176.83 177.50 1gqo n HIS 79 N -4.66 0.00 -0.69 2.24 8.25 -0.51 -0.41 115.22 119.44 1gqo n HIS 79 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1gqo n HIS 79 Cb 0.87 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 -1.34 0.00 -2.61 4.41 0.18 -1.02 -4.69 117.16 112.10 1gqo n TYR 80 Ca 0.08 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.43 1gqo n TYR 80 Cb 0.33 0.01 -0.01 0.00 -0.38 0.00 0.00 39.34 39.29 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 6.76 0.30 9.48 0.15 -0.46 -4.77 113.70 125.16 1gqo s SER 81 Ca 0.00 -2.21 0.25 0.00 0.70 0.00 0.00 55.95 54.69 1gqo s SER 81 Cb 0.00 -2.56 1.03 0.00 -1.71 0.00 0.00 66.02 62.78 1gqo s SER 81 CO 0.00 -1.23 1.75 1.88 1.20 0.00 0.00 173.24 176.84 1gqo h TYR 82 N 8.17 0.00 -0.15 3.44 -1.99 -1.92 -2.09 116.97 122.43 1gqo h TYR 82 Ca 0.37 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.90 1gqo h TYR 82 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.64 1gqo h TYR 82 CO 1.36 0.00 -0.70 0.00 -0.00 0.00 0.00 178.16 178.82 1gqo h ALA 83 N 2.24 0.50 -0.06 3.88 0.00 -1.98 -1.68 119.26 122.14 1gqo h ALA 83 Ca 0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 54.91 54.14 1gqo h ALA 83 Cb 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1gqo h ALA 83 CO 0.00 0.71 -0.78 0.82 0.00 0.00 0.00 179.25 180.00 1gqo h ILE 84 N 0.44 1.38 -0.13 0.00 2.04 -1.77 -2.04 117.51 117.43 1gqo h ILE 84 Ca -0.03 -2.21 0.04 0.00 1.00 0.00 0.00 64.86 63.67 1gqo h ILE 84 Cb 1.29 2.18 -0.05 0.00 -0.74 0.00 0.00 36.82 39.50 1gqo h ILE 84 CO 0.13 0.66 -0.18 -0.09 0.00 0.00 0.00 178.15 178.68 1gqo h ARG 85 N 0.28 -0.22 0.00 2.37 2.43 -1.30 -1.00 114.38 116.94 1gqo h ARG 85 Ca -0.04 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1gqo h ARG 85 Cb 1.38 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1gqo h ARG 85 CO 0.14 -0.14 -0.28 -0.44 -1.51 0.00 0.00 179.97 177.73 1gqo h ASP 86 N -0.22 0.00 -0.09 -3.80 5.19 -1.12 -2.11 116.42 114.26 1gqo h ASP 86 Ca 0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1gqo h ASP 86 Cb 0.37 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1gqo h ASP 86 CO -0.26 0.28 0.02 0.00 -3.12 0.00 0.00 179.24 176.15 1gqo h ALA 87 N 1.72 0.12 -0.31 3.45 0.00 -0.54 -1.64 119.26 122.07 1gqo h ALA 87 Ca -0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1gqo h ALA 87 Cb 0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1gqo h ALA 87 CO 0.04 -0.23 0.05 0.28 0.00 0.00 0.00 179.25 179.38 1gqo h VAL 88 N -0.08 0.83 0.00 0.00 2.07 -0.77 -1.77 116.25 116.53 1gqo h VAL 88 Ca 0.03 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1gqo h VAL 88 Cb 0.28 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1gqo h VAL 88 CO 0.00 0.03 -0.05 0.28 0.02 0.00 0.00 177.57 177.85 1gqo h SER 89 N 0.16 0.00 0.01 0.57 0.02 -1.33 -3.16 113.55 109.81 1gqo h SER 89 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1gqo h SER 89 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1gqo h SER 89 CO -0.21 0.05 0.00 -1.54 -1.14 0.00 0.00 176.83 173.99 1gqo n SER 90 N -4.37 0.00 -4.47 3.07 3.41 -0.62 -4.86 113.62 105.78 1gqo n SER 90 Ca -0.03 -0.91 -0.24 0.00 -0.26 0.00 0.00 58.87 57.43 1gqo n SER 90 Cb 0.13 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.01 2.41 -0.55 -1.33 -4.36 -1.20 -5.06 121.20 109.10 1gqo s ILE 91 Ca 0.44 -2.38 0.23 0.00 -0.26 0.00 0.00 60.65 58.68 1gqo s ILE 91 Cb 0.20 -2.31 -0.09 0.00 1.25 0.00 0.00 42.46 41.51 1gqo s ILE 91 CO 0.34 -0.40 1.05 -1.54 0.24 0.00 0.00 174.94 174.63 1gqo n SER 92 N -0.62 0.62 -4.79 4.36 3.41 -1.26 -4.96 113.62 110.38 1gqo n SER 92 Ca -0.05 -0.09 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 1gqo n SER 92 Cb 0.60 0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 65.25 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 -4.15 3.83 0.20 1.04 1.43 -1.26 -5.01 118.68 114.75 1gqo s LEU 93 Ca 0.03 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 1gqo s LEU 93 Cb 0.14 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.72 1gqo s LEU 93 CO 0.79 -0.92 1.23 -2.16 0.23 0.00 0.00 176.35 175.53 1gqo s PRO 94 N -3.21 4.46 -0.03 1.29 0.04 -1.26 -4.88 135.00 131.40 1gqo s PRO 94 Ca 0.69 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.72 1gqo s PRO 94 Cb -0.19 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1gqo s PRO 94 CO 0.23 -0.13 -0.19 0.08 0.04 0.00 0.00 177.00 177.02 1gqo s VAL 95 N -0.08 1.56 -0.10 -0.36 1.01 -1.26 -1.61 120.40 119.56 1gqo s VAL 95 Ca 0.54 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1gqo s VAL 95 Cb -0.34 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.73 1gqo s VAL 95 CO 0.38 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 175.03 1gqo s VAL 96 N -0.26 1.82 -0.10 2.92 1.01 -0.17 -0.64 120.40 124.98 1gqo s VAL 96 Ca 0.02 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1gqo s VAL 96 Cb -0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1gqo s VAL 96 CO 0.01 0.51 0.48 -0.70 0.00 0.00 0.00 175.10 175.39 1gqo s GLU 97 N 0.52 4.31 -0.01 2.72 2.12 -0.99 -0.51 118.70 126.86 1gqo s GLU 97 Ca -0.15 0.46 0.03 0.00 0.36 0.00 0.00 54.97 55.67 1gqo s GLU 97 Cb -0.17 -3.42 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 1gqo s GLU 97 CO 0.06 0.21 -0.09 0.08 -0.54 0.00 0.00 175.26 174.97 1gqo s VAL 98 N 0.46 0.73 -0.02 3.70 1.01 -0.11 -1.37 120.40 124.80 1gqo s VAL 98 Ca 0.26 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1gqo s VAL 98 Cb -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1gqo s VAL 98 CO 0.11 0.21 -0.01 -1.00 0.00 0.00 0.00 175.10 174.41 1gqo s HIS 99 N -0.08 0.35 -0.05 5.22 3.76 -0.85 -4.15 115.29 119.50 1gqo s HIS 99 Ca 0.01 -0.03 -0.22 0.00 -0.15 0.00 0.00 55.06 54.67 1gqo s HIS 99 Cb -0.05 -0.39 -0.17 0.00 1.11 0.00 0.00 32.58 33.08 1gqo s HIS 99 CO -0.00 -0.11 0.93 -0.07 -0.85 0.00 0.00 174.74 174.64 1gqo h LEU 100 N 6.99 -0.14-10.40 0.89 4.07 -1.87 -2.76 115.31 112.09 1gqo h LEU 100 Ca -0.39 -0.43 -0.49 0.00 0.08 0.00 0.00 57.88 56.65 1gqo h LEU 100 Cb 1.15 0.04 0.06 0.00 1.08 0.00 0.00 40.66 42.98 1gqo h LEU 100 CO 0.48 0.44 0.27 -0.94 -1.08 0.00 0.00 178.44 177.62 1gqo s SER 101 N -5.57 5.83 -0.71 -0.43 1.04 -1.26 -1.85 113.70 110.75 1gqo s SER 101 Ca -0.14 1.01 -0.27 0.00 0.48 0.00 0.00 55.95 57.04 1gqo s SER 101 Cb 0.00 -2.03 0.01 0.00 0.10 0.00 0.00 66.02 64.10 1gqo s SER 101 CO 0.52 -0.99 1.49 0.21 0.98 0.00 0.00 173.24 175.46 1gqo s ASN 102 N -4.25 5.85 0.35 7.02 3.84 -1.26 -2.75 114.94 123.74 1gqo s ASN 102 Ca 0.54 -0.22 0.05 0.00 0.21 0.00 0.00 52.86 53.45 1gqo s ASN 102 Cb -0.11 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 38.70 1gqo s ASN 102 CO 0.49 -2.03 1.90 -0.07 -2.79 0.00 0.00 177.10 174.60 1gqo h LEU 103 N 14.26 0.45 -0.90 3.21 3.38 -1.91 -1.54 115.31 132.26 1gqo h LEU 103 Ca -0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1gqo h LEU 103 Cb 1.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1gqo h LEU 103 CO 1.26 0.51 0.00 -1.22 0.09 0.00 0.00 178.44 179.09 1gqo n TYR 104 N -4.30 0.76 0.85 1.13 4.02 -1.26 -0.89 117.16 117.47 1gqo n TYR 104 Ca 0.01 0.33 0.12 0.00 -0.01 0.00 0.00 57.90 58.35 1gqo n TYR 104 Cb 0.23 -1.03 0.18 0.00 -0.02 0.00 0.00 39.34 38.71 1gqo n TYR 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gqo n ALA 105 N -1.77 2.46 -2.41 -0.72 0.00 -0.58 -4.97 120.51 112.53 1gqo n ALA 105 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1gqo n ALA 105 Cb 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.25 3.52 -1.63 0.00 1.74 -0.07 -5.06 116.66 116.41 1gqo n ARG 106 Ca 0.16 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 1gqo n ARG 106 Cb 0.57 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.04 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 1.26 -0.00 5.56 4.71 -1.26 -4.90 120.64 126.01 1gqo n GLU 107 Ca 0.00 0.46 0.04 0.00 -0.01 0.00 0.00 57.16 57.65 1gqo n GLU 107 Cb 0.00 -2.17 0.42 0.00 -1.01 0.00 0.00 31.44 28.68 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 1.16 0.54 0.00 3.49 4.81 -1.96 -1.09 114.58 121.54 1gqo h GLU 108 Ca -0.47 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.71 1gqo h GLU 108 Cb 1.34 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1gqo h GLU 108 CO 0.55 0.36 -0.10 0.27 -0.73 0.00 0.00 179.01 179.36 1gqo h PHE 109 N 0.56 0.00 -0.02 0.92 -5.15 -1.97 -2.12 116.94 109.16 1gqo h PHE 109 Ca 0.15 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.92 1gqo h PHE 109 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.11 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 -4.14 1.10 -0.07 6.09 1.74 -0.41 -3.94 116.66 117.04 1gqo n ARG 110 Ca -0.03 -0.16 0.10 0.00 -0.77 0.00 0.00 57.85 57.00 1gqo n ARG 110 Cb 0.18 -1.30 0.39 0.00 -1.02 0.00 0.00 32.46 30.71 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 -0.62 0.18 -3.89 -1.55 8.25 -0.80 -4.71 115.22 112.08 1gqo n HIS 111 Ca 0.14 -0.09 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 1gqo n HIS 111 Cb 0.10 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.05 1gqo n HIS 111 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1gqo s GLN 112 N -1.82 0.16 -0.22 -0.41 0.74 -1.25 -5.01 119.66 111.86 1gqo s GLN 112 Ca 0.30 0.08 -0.10 0.00 0.05 0.00 0.00 55.36 55.69 1gqo s GLN 112 Cb 0.16 -0.34 -0.05 0.00 1.10 0.00 0.00 33.01 33.88 1gqo s GLN 112 CO 0.24 -0.11 0.13 0.45 -0.55 0.00 0.00 175.29 175.46 1gqo s SER 113 N 0.81 6.05 0.00 6.67 0.15 -1.26 -4.27 113.70 121.86 1gqo s SER 113 Ca -0.08 0.14 0.26 0.00 0.70 0.00 0.00 55.95 56.97 1gqo s SER 113 Cb -0.11 -2.08 0.70 0.00 -1.71 0.00 0.00 66.02 62.83 1gqo s SER 113 CO -0.02 0.12 1.55 1.33 1.20 0.00 0.00 173.24 177.42 1gqo n VAL 114 N 3.94 0.01 0.03 4.45 0.24 0.45 -3.82 118.33 123.63 1gqo n VAL 114 Ca -0.16 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 1gqo n VAL 114 Cb 0.52 0.04 -0.14 0.00 -1.47 0.00 0.00 33.84 32.79 1gqo n VAL 114 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1gqo h ILE 115 N 0.00 1.03 -0.87 1.34 2.04 -1.88 -3.41 117.51 115.77 1gqo h ILE 115 Ca 0.00 -2.76 0.12 0.00 1.00 0.00 0.00 64.86 63.22 1gqo h ILE 115 Cb 0.51 2.63 -0.08 0.00 -0.74 0.00 0.00 36.82 39.13 1gqo h ILE 115 CO 0.00 0.75 0.50 0.00 0.00 0.00 0.00 178.15 179.39 1gqo h ALA 116 N 0.63 1.29 -0.29 1.87 0.00 -1.91 -2.29 119.26 118.55 1gqo h ALA 116 Ca -0.26 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1gqo h ALA 116 Cb 1.99 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1gqo h ALA 116 CO 0.12 0.06 0.31 -1.35 0.00 0.00 0.00 179.25 178.39 1gqo h PRO 117 N 0.78 0.00 -0.19 0.00 0.11 -1.79 -0.94 132.00 129.98 1gqo h PRO 117 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1gqo h PRO 117 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1gqo h PRO 117 CO -0.29 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.83 1gqo n VAL 118 N -3.81 0.60 -2.93 3.15 0.24 -0.87 -5.00 118.33 109.72 1gqo n VAL 118 Ca 0.04 -0.80 -0.20 0.00 -2.04 0.00 0.00 64.34 61.34 1gqo n VAL 118 Cb 0.46 0.78 0.07 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.92 4.46 0.11 2.33 0.00 -0.36 -4.71 121.76 122.67 1gqo s ALA 119 Ca 0.17 -2.00 -0.15 0.00 0.00 0.00 0.00 51.96 49.97 1gqo s ALA 119 Cb 0.09 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 1gqo s ALA 119 CO 0.13 -0.95 1.51 0.87 0.00 0.00 0.00 175.76 177.32 1gqo h LYS 120 N 0.06 0.67 0.00 0.00 1.79 -1.16 -3.48 116.57 114.45 1gqo h LYS 120 Ca -0.32 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1gqo h LYS 120 Cb 1.28 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1gqo h LYS 120 CO 0.41 0.84 0.00 0.41 -1.08 0.00 0.00 179.45 180.04 1gqo n GLY 121 N -0.16 0.94 3.24 3.86 0.00 -1.25 -5.08 105.19 106.73 1gqo n GLY 121 Ca -0.02 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.76 0.64 -0.09 1.61 0.74 -1.26 -2.35 119.66 118.18 1gqo s GLN 122 Ca 0.00 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.32 1gqo s GLN 122 Cb 0.00 0.28 0.01 0.00 1.10 0.00 0.00 33.01 34.41 1gqo s GLN 122 CO 0.00 -0.17 -0.15 0.42 -0.55 0.00 0.00 175.29 174.84 1gqo s ILE 123 N -1.14 1.43 -0.02 -2.34 1.01 -0.47 -4.97 121.20 114.70 1gqo s ILE 123 Ca -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1gqo s ILE 123 Cb -0.05 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1gqo s ILE 123 CO 0.04 0.42 -0.00 -0.69 0.00 0.00 0.00 174.94 174.71 1gqo s VAL 124 N 0.81 0.13 0.00 2.92 1.01 -1.26 -2.00 120.40 122.01 1gqo s VAL 124 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1gqo s VAL 124 Cb -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1gqo s VAL 124 CO 0.02 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1gqo n GLY 125 N 3.65 0.78 2.02 4.51 0.00 -1.04 -4.85 105.19 110.26 1gqo n GLY 125 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 6.19 0.00 0.99 4.77 -1.19 -4.54 117.00 123.22 1gqo n LEU 126 Ca 0.00 -3.34 0.00 0.00 -0.03 0.00 0.00 56.01 52.64 1gqo n LEU 126 Cb 0.00 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1gqo n LEU 126 CO 0.00 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 1gqo n GLY 127 N -0.43 0.88 0.31 -0.72 0.00 -0.77 -3.23 105.19 101.24 1gqo n GLY 127 Ca 0.45 -0.68 0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.54 1.80 -0.86 4.61 0.00 -1.95 -0.87 119.26 121.46 1gqo h ALA 128 Ca 0.00 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1gqo h ALA 128 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1gqo h ALA 128 CO 0.00 -0.18 0.56 1.49 0.00 0.00 0.00 179.25 181.13 1gqo h GLU 129 N 0.00 0.48 -0.75 0.00 4.57 -1.98 -1.27 114.58 115.63 1gqo h GLU 129 Ca 0.06 -0.03 0.17 0.00 -1.18 0.00 0.00 59.36 58.38 1gqo h GLU 129 Cb 0.29 -0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 28.65 1gqo h GLU 129 CO -0.00 0.32 0.12 0.78 -1.18 0.00 0.00 179.01 179.05 1gqo h GLY 130 N 0.49 0.99 0.79 1.92 0.00 -1.13 0.15 103.07 106.29 1gqo h GLY 130 Ca 0.44 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.83 1gqo h GLY 130 CO -0.17 -0.25 0.40 -0.97 0.00 0.00 0.00 176.54 175.55 1gqo h TYR 131 N 0.20 0.75 -0.43 5.60 -1.99 -1.42 0.13 116.97 119.80 1gqo h TYR 131 Ca 0.43 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 61.09 1gqo h TYR 131 Cb 0.76 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.24 1gqo h TYR 131 CO -0.32 0.40 -0.08 0.87 -0.00 0.00 0.00 178.16 179.03 1gqo h LYS 132 N 0.77 0.82 -0.61 4.88 1.57 -0.88 -1.69 116.57 121.42 1gqo h LYS 132 Ca 0.28 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1gqo h LYS 132 Cb 0.09 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1gqo h LYS 132 CO -0.14 0.92 0.39 -0.07 -0.57 0.00 0.00 179.45 179.98 1gqo h LEU 133 N 0.65 0.71 -0.87 2.94 3.38 -0.92 0.35 115.31 121.55 1gqo h LEU 133 Ca 0.11 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1gqo h LEU 133 Cb 0.60 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1gqo h LEU 133 CO 0.04 0.54 0.09 0.00 0.09 0.00 0.00 178.44 179.20 1gqo h ALA 134 N 1.20 1.07 -0.56 1.53 0.00 -0.46 -2.25 119.26 119.79 1gqo h ALA 134 Ca 0.22 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1gqo h ALA 134 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1gqo h ALA 134 CO -0.04 0.60 0.13 0.28 0.00 0.00 0.00 179.25 180.21 1gqo h VAL 135 N 0.88 1.25 -0.85 0.00 2.07 -0.89 -1.86 116.25 116.85 1gqo h VAL 135 Ca 0.18 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1gqo h VAL 135 Cb 0.39 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 1gqo h VAL 135 CO 0.01 0.33 0.54 0.03 0.02 0.00 0.00 177.57 178.50 1gqo h ARG 136 N 0.81 0.98 -0.03 1.57 3.08 -0.70 -1.58 114.38 118.51 1gqo h ARG 136 Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1gqo h ARG 136 Cb 0.36 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1gqo h ARG 136 CO 0.00 0.65 0.02 -0.92 -1.07 0.00 0.00 179.97 178.65 1gqo h TYR 137 N 1.01 0.04 -1.00 3.04 3.20 -1.14 -2.70 116.97 119.41 1gqo h TYR 137 Ca 0.36 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.36 1gqo h TYR 137 Cb 0.10 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.27 1gqo h TYR 137 CO -0.03 0.05 0.63 -0.07 -1.64 0.00 0.00 178.16 177.10 1gqo h LEU 138 N 0.02 0.89 -1.82 2.82 4.07 -1.05 0.22 115.31 120.45 1gqo h LEU 138 Ca 0.01 0.06 0.16 0.00 0.08 0.00 0.00 57.88 58.19 1gqo h LEU 138 Cb 0.02 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.61 1gqo h LEU 138 CO -0.00 0.45 0.46 -0.07 -1.08 0.00 0.00 178.44 178.20 1gqo h LEU 139 N 0.94 0.16 -2.50 1.67 3.38 -0.95 0.49 115.31 118.51 1gqo h LEU 139 Ca 0.51 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.40 1gqo h LEU 139 Cb 0.57 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1gqo h LEU 139 CO -0.28 0.08 0.12 -1.54 0.09 0.00 0.00 178.44 176.91 1gqo n SER 140 N -4.41 3.65 0.00 -0.43 3.41 0.06 -5.13 113.62 110.77 1gqo n SER 140 Ca 0.13 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 1gqo n SER 140 Cb 0.61 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88