#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 1.83 0.12 0.54 2.46 -1.26 -1.59 115.29 117.40 1gqo s HIS 2 Ca 0.00 -0.79 0.08 0.00 0.47 0.00 0.00 55.06 54.82 1gqo s HIS 2 Cb 0.00 -1.32 -0.04 0.00 -0.13 0.00 0.00 32.58 31.09 1gqo s HIS 2 CO 0.00 -0.40 -0.13 -0.06 -2.47 0.00 0.00 174.74 171.68 1gqo s PHE 3 N 0.84 2.65 -0.21 3.88 2.99 -0.07 -0.45 117.98 127.61 1gqo s PHE 3 Ca -0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 56.93 56.55 1gqo s PHE 3 Cb -0.15 -1.38 -0.04 0.00 0.00 0.00 0.00 43.02 41.45 1gqo s PHE 3 CO 0.01 0.43 0.07 -1.17 -0.00 0.00 0.00 175.22 174.56 1gqo s LEU 4 N -2.30 3.68 -0.46 -0.37 0.20 -0.68 -1.39 118.68 117.36 1gqo s LEU 4 Ca 0.21 -0.02 -0.15 0.00 0.69 0.00 0.00 54.13 54.85 1gqo s LEU 4 Cb -0.10 -1.95 0.06 0.00 -0.43 0.00 0.00 46.19 43.77 1gqo s LEU 4 CO 0.13 0.10 0.38 -0.63 -0.29 0.00 0.00 176.35 176.03 1gqo s ILE 5 N 0.82 5.23 -0.19 6.68 -1.09 -0.17 -0.59 121.20 131.88 1gqo s ILE 5 Ca 0.04 -0.99 -0.03 0.00 -2.23 0.00 0.00 60.65 57.43 1gqo s ILE 5 Cb -0.14 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1gqo s ILE 5 CO 0.02 -0.53 -0.06 -0.22 -1.23 0.00 0.00 174.94 172.93 1gqo s LEU 6 N 1.65 2.91 -0.11 2.97 0.20 0.98 -1.95 118.68 125.33 1gqo s LEU 6 Ca 0.04 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1gqo s LEU 6 Cb -0.23 -1.72 -0.00 0.00 -0.43 0.00 0.00 46.19 43.81 1gqo s LEU 6 CO 0.07 0.04 -0.22 0.20 -0.29 0.00 0.00 176.35 176.16 1gqo s ASN 7 N 1.10 3.25 0.37 3.68 0.01 -0.21 -1.27 114.94 121.87 1gqo s ASN 7 Ca 0.01 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1gqo s ASN 7 Cb -0.15 -1.45 0.00 0.00 0.41 0.00 0.00 41.25 40.06 1gqo s ASN 7 CO -0.01 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 1gqo n GLY 8 N 3.66 0.15 3.64 0.66 0.00 0.20 -1.77 105.19 111.74 1gqo n GLY 8 Ca -0.19 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.61 1.69 -0.50 1.61 -0.04 -0.96 -2.68 135.00 133.51 1gqo n PRO 9 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1gqo n PRO 9 Cb 0.00 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 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 1.00 0.00 0.21 3.54 3.02 -1.26 -4.54 115.26 117.23 1gqo n ASN 10 Ca 0.07 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.70 1gqo n ASN 10 Cb 0.34 -1.42 0.47 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.83 0.00 2.41 2.07 -1.88 -1.01 116.25 118.66 1gqo h VAL 11 Ca 0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1gqo h VAL 11 Cb 0.00 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1gqo h VAL 11 CO 0.00 0.28 0.00 -0.55 0.02 0.00 0.00 177.57 177.32 1gqo h ASN 12 N 0.00 0.00 -0.13 0.57 -1.07 -1.87 -2.70 115.58 110.38 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 0.66 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 1gqo h ASN 12 CO 0.04 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.08 1gqo n ARG 13 N -2.99 1.74 -1.64 4.14 5.12 -0.38 -4.67 116.66 117.98 1gqo n ARG 13 Ca -0.01 -1.10 -0.54 0.00 -1.93 0.00 0.00 57.85 54.27 1gqo n ARG 13 Cb 0.18 -1.42 -0.06 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.33 1.96 0.00 0.55 7.99 -1.02 -1.57 117.00 125.24 1gqo n LEU 14 Ca 0.17 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 57.27 1gqo n LEU 14 Cb 0.35 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.48 1gqo n LEU 14 CO 0.14 -0.80 0.00 0.61 -1.51 0.00 0.00 177.39 175.83 1gqo n GLY 15 N 3.15 1.44 0.00 -0.72 0.00 -1.20 -4.05 105.19 103.82 1gqo n GLY 15 Ca 0.21 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 0.05 0.00 -3.61 1.61 3.41 -0.61 -4.85 113.62 109.62 1gqo n SER 16 Ca 0.00 -0.13 -0.01 0.00 -0.26 0.00 0.00 58.87 58.47 1gqo n SER 16 Cb 0.00 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.36 0.25 -0.42 4.33 1.70 -1.26 -5.11 118.95 116.08 1gqo s ARG 17 Ca 0.17 -0.12 -0.26 0.00 -0.47 0.00 0.00 55.73 55.06 1gqo s ARG 17 Cb 0.10 0.10 0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1gqo s ARG 17 CO 0.20 -0.11 0.53 -0.85 -1.08 0.00 0.00 175.30 173.99 1gqo n GLU 18 N -0.26 -1.49 0.02 3.89 0.28 -1.26 -4.74 120.64 117.08 1gqo n GLU 18 Ca -0.03 1.04 0.05 0.00 -0.16 0.00 0.00 57.16 58.05 1gqo n GLU 18 Cb 0.60 -1.63 0.21 0.00 1.43 0.00 0.00 31.44 32.06 1gqo n GLU 18 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1gqo n PRO 19 N -0.54 0.02 0.10 3.44 -0.02 -1.26 -1.66 135.00 135.08 1gqo n PRO 19 Ca -0.11 0.38 -0.23 0.00 -2.02 0.00 0.00 63.50 61.52 1gqo n PRO 19 Cb 0.55 -1.54 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 1gqo n PRO 19 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gqo h GLU 20 N 0.00 0.43 0.17 -0.52 3.07 -1.91 -1.42 114.58 114.41 1gqo h GLU 20 Ca 0.00 -0.74 -0.33 0.00 -0.50 0.00 0.00 59.36 57.78 1gqo h GLU 20 Cb 0.15 0.28 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1gqo h GLU 20 CO 0.00 1.35 -1.66 0.28 -1.40 0.00 0.00 179.01 177.58 1gqo h VAL 21 N 0.12 0.97 -0.23 3.13 2.07 -1.88 -3.39 116.25 117.04 1gqo h VAL 21 Ca -0.31 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 64.72 1gqo h VAL 21 Cb 2.12 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.66 1gqo h VAL 21 CO 0.21 0.82 0.00 0.49 0.02 0.00 0.00 177.57 179.11 1gqo n PHE 22 N -3.68 0.44 -0.61 1.57 3.01 -0.66 -4.16 117.46 113.36 1gqo n PHE 22 Ca -0.24 -0.62 0.08 0.00 1.01 0.00 0.00 57.45 57.68 1gqo n PHE 22 Cb 1.03 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 40.37 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 -0.06 -2.33 0.11 1.37 0.00 -0.53 -4.64 105.19 99.11 1gqo n GLY 23 Ca 0.12 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.59 0.00 -7.29 1.61 -0.00 -1.94 -3.38 114.38 102.79 1gqo h ARG 24 Ca -0.04 0.00 -0.51 0.00 -0.50 0.00 0.00 59.98 58.93 1gqo h ARG 24 Cb 0.58 0.00 0.16 0.00 0.00 0.00 0.00 29.97 30.71 1gqo h ARG 24 CO 0.02 0.66 0.26 -0.65 0.00 0.00 0.00 179.97 180.27 1gqo s GLN 25 N -2.90 1.56 0.40 0.04 -0.21 -1.26 -4.77 119.66 112.52 1gqo s GLN 25 Ca 0.03 1.28 0.08 0.00 0.02 0.00 0.00 55.36 56.77 1gqo s GLN 25 Cb 0.08 -1.81 -0.02 0.00 1.00 0.00 0.00 33.01 32.27 1gqo s GLN 25 CO 0.77 -2.17 0.39 0.95 -2.12 0.00 0.00 175.29 173.11 1gqo s THR 26 N -2.79 2.89 0.24 -0.19 -4.23 -1.26 -3.21 115.64 107.10 1gqo s THR 26 Ca 0.64 -1.29 -0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1gqo s THR 26 Cb -0.20 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.82 1gqo s THR 26 CO 0.57 -0.03 1.88 0.25 -0.54 0.00 0.00 174.62 176.74 1gqo h LEU 27 N 1.01 1.11 -0.76 4.79 5.85 -1.82 -2.39 115.31 123.10 1gqo h LEU 27 Ca -0.42 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1gqo h LEU 27 Cb 1.27 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1gqo h LEU 27 CO 0.56 0.87 0.49 0.74 -0.34 0.00 0.00 178.44 180.76 1gqo h THR 28 N 1.26 1.21 -0.03 1.05 2.02 -1.93 0.90 112.91 117.38 1gqo h THR 28 Ca 0.32 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1gqo h THR 28 Cb -0.00 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1gqo h THR 28 CO -0.05 0.20 -0.15 0.44 0.37 0.00 0.00 175.52 176.33 1gqo h ASP 29 N 1.04 -0.44 -0.95 4.18 5.19 -1.86 -0.34 116.42 123.25 1gqo h ASP 29 Ca 0.28 0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.78 1gqo h ASP 29 Cb -0.08 0.19 -0.05 0.00 0.18 0.00 0.00 39.33 39.56 1gqo h ASP 29 CO -0.06 -0.20 0.62 0.40 -3.12 0.00 0.00 179.24 176.88 1gqo h ILE 30 N -0.23 1.19 -0.53 0.35 2.04 -0.95 -1.43 117.51 117.94 1gqo h ILE 30 Ca 0.06 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1gqo h ILE 30 Cb 0.31 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1gqo h ILE 30 CO -0.16 0.22 0.34 -0.08 0.00 0.00 0.00 178.15 178.47 1gqo h GLU 31 N 1.23 0.70 -0.31 2.37 4.81 -0.03 -0.59 114.58 122.76 1gqo h GLU 31 Ca 0.37 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1gqo h GLU 31 Cb -0.05 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1gqo h GLU 31 CO -0.11 0.48 0.20 1.15 -0.73 0.00 0.00 179.01 180.01 1gqo h THR 32 N 0.71 1.09 -0.80 0.32 2.02 -0.36 -0.90 112.91 114.98 1gqo h THR 32 Ca 0.19 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1gqo h THR 32 Cb -0.06 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1gqo h THR 32 CO -0.04 0.09 0.43 0.44 0.37 0.00 0.00 175.52 176.81 1gqo h ASP 33 N 0.41 1.01 0.34 4.18 3.32 -1.13 -1.01 116.42 123.55 1gqo h ASP 33 Ca 0.11 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1gqo h ASP 33 Cb -0.03 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1gqo h ASP 33 CO -0.02 0.82 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.02 1gqo h LEU 34 N 1.12 0.00 -0.07 1.55 3.38 -0.67 -2.05 115.31 118.56 1gqo h LEU 34 Ca 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1gqo h LEU 34 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1gqo h LEU 34 CO -0.04 0.23 -0.12 -0.26 0.09 0.00 0.00 178.44 178.33 1gqo h PHE 35 N 0.00 0.26 -0.14 1.13 0.05 -0.24 0.27 116.94 118.27 1gqo h PHE 35 Ca -0.00 -0.09 0.05 0.00 3.82 0.00 0.00 57.97 61.75 1gqo h PHE 35 Cb 0.46 -0.05 -0.06 0.00 2.00 0.00 0.00 35.95 38.30 1gqo h PHE 35 CO 0.00 0.71 -0.28 1.96 -0.18 0.00 0.00 178.31 180.52 1gqo h GLN 36 N -0.26 -0.33 -0.90 1.51 4.20 -0.98 -1.94 115.11 116.41 1gqo h GLN 36 Ca 0.01 0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.90 1gqo h GLN 36 Cb 0.69 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.44 1gqo h GLN 36 CO 0.03 -0.22 0.49 0.35 -0.67 0.00 0.00 178.83 178.81 1gqo h PHE 37 N -0.34 0.86 -0.35 2.96 3.57 -1.35 -2.10 116.94 120.19 1gqo h PHE 37 Ca 0.10 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1gqo h PHE 37 Cb 0.50 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1gqo h PHE 37 CO -0.38 0.19 -0.11 0.00 -2.23 0.00 0.00 178.31 175.78 1gqo h ALA 38 N 1.59 0.48 -0.63 2.41 0.00 0.27 -2.87 119.26 120.51 1gqo h ALA 38 Ca 0.50 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1gqo h ALA 38 Cb 0.74 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1gqo h ALA 38 CO -0.38 0.35 0.40 0.93 0.00 0.00 0.00 179.25 180.55 1gqo h GLU 39 N 0.47 0.77 0.00 0.00 3.07 -1.08 -1.85 114.58 115.97 1gqo h GLU 39 Ca 0.08 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1gqo h GLU 39 Cb 0.63 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1gqo h GLU 39 CO 0.04 0.51 -0.13 0.00 -1.40 0.00 0.00 179.01 178.03 1gqo h ALA 40 N 1.27 1.02 -0.46 3.43 0.00 -1.38 -2.80 119.26 120.34 1gqo h ALA 40 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gqo h ALA 40 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gqo h ALA 40 CO -0.09 0.17 0.00 1.47 0.00 0.00 0.00 179.25 180.79 1gqo n LEU 41 N -3.28 4.43 -4.06 0.00 -0.00 -0.87 -4.98 117.00 108.24 1gqo n LEU 41 Ca 0.00 -2.69 -0.44 0.00 -0.00 0.00 0.00 56.01 52.89 1gqo n LEU 41 Cb 0.38 -0.54 0.02 0.00 -0.00 0.00 0.00 43.42 43.28 1gqo n LEU 41 CO 0.31 0.72 -0.16 1.41 -0.00 0.00 0.00 177.39 179.66 1gqo n HIS 42 N 0.37 -1.31 -3.86 1.47 8.25 -0.75 -4.97 115.22 114.43 1gqo n HIS 42 Ca 0.23 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.67 1gqo n HIS 42 Cb 0.90 -2.58 -0.08 0.00 1.12 0.00 0.00 29.99 29.35 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 -3.59 0.13 0.04 1.59 -4.36 -0.99 -4.62 121.20 109.41 1gqo s ILE 43 Ca 0.45 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 59.79 1gqo s ILE 43 Cb -0.25 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 1gqo s ILE 43 CO 0.92 -0.60 -0.07 -1.10 0.24 0.00 0.00 174.94 174.33 1gqo s GLN 44 N -3.39 2.45 -0.01 0.37 -0.21 -0.62 -4.32 119.66 113.93 1gqo s GLN 44 Ca 0.01 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 54.61 1gqo s GLN 44 Cb 0.03 -2.46 -0.01 0.00 1.00 0.00 0.00 33.01 31.58 1gqo s GLN 44 CO -0.08 0.57 -0.08 -0.51 -2.12 0.00 0.00 175.29 173.06 1gqo s LEU 45 N -1.73 1.99 -0.04 2.90 1.43 -1.26 -0.90 118.68 121.08 1gqo s LEU 45 Ca 0.19 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1gqo s LEU 45 Cb -0.11 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1gqo s LEU 45 CO 0.10 0.10 -0.20 -0.89 0.23 0.00 0.00 176.35 175.70 1gqo s THR 46 N -0.16 1.62 -0.12 5.49 2.01 -0.49 -4.97 115.64 119.02 1gqo s THR 46 Ca 0.03 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1gqo s THR 46 Cb -0.04 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1gqo s THR 46 CO -0.00 0.46 0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 1gqo s PHE 47 N -0.09 3.23 -0.08 4.92 0.40 -1.26 -1.00 117.98 124.10 1gqo s PHE 47 Ca -0.02 0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 56.43 1gqo s PHE 47 Cb -0.12 -1.89 0.03 0.00 0.51 0.00 0.00 43.02 41.55 1gqo s PHE 47 CO 0.02 0.39 0.19 0.12 0.70 0.00 0.00 175.22 176.64 1gqo s PHE 48 N -0.52 -0.22 -0.01 0.36 5.36 -0.82 -4.98 117.98 117.14 1gqo s PHE 48 Ca 0.10 0.55 0.01 0.00 -0.96 0.00 0.00 56.93 56.63 1gqo s PHE 48 Cb -0.12 0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.60 1gqo s PHE 48 CO 0.02 -0.14 -0.03 -1.14 -1.46 0.00 0.00 175.22 172.47 1gqo s GLN 49 N 0.55 0.35 0.04 10.12 -0.44 -1.26 -1.05 119.66 127.97 1gqo s GLN 49 Ca -0.04 -0.09 -0.15 0.00 -2.50 0.00 0.00 55.36 52.59 1gqo s GLN 49 Cb -0.05 -0.39 0.02 0.00 -1.64 0.00 0.00 33.01 30.96 1gqo s GLN 49 CO -0.03 0.02 0.33 0.45 0.50 0.00 0.00 175.29 176.57 1gqo s SER 50 N 0.25 -0.18 0.00 6.67 0.15 -0.73 -4.98 113.70 114.89 1gqo s SER 50 Ca -0.02 -0.10 0.24 0.00 0.70 0.00 0.00 55.95 56.77 1gqo s SER 50 Cb -0.05 0.37 0.35 0.00 -1.71 0.00 0.00 66.02 64.98 1gqo s SER 50 CO -0.00 -0.61 1.31 0.59 1.20 0.00 0.00 173.24 175.73 1gqo n ASN 51 N 0.65 1.36 -4.60 5.45 3.02 -1.26 -2.26 115.26 117.62 1gqo n ASN 51 Ca -0.19 -1.08 -0.39 0.00 -0.03 0.00 0.00 54.58 52.89 1gqo n ASN 51 Cb 0.59 0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 40.02 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 -2.58 3.23 0.24 3.10 3.76 -1.26 -4.58 115.29 117.20 1gqo s HIS 52 Ca 0.19 0.28 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1gqo s HIS 52 Cb 0.18 -2.51 0.42 0.00 1.11 0.00 0.00 32.58 31.79 1gqo s HIS 52 CO 0.59 -0.22 1.74 1.49 -0.85 0.00 0.00 174.74 177.49 1gqo h GLU 53 N 8.26 0.45 -0.73 1.40 4.81 -2.01 -1.15 114.58 125.61 1gqo h GLU 53 Ca -0.33 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1gqo h GLU 53 Cb 1.17 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1gqo h GLU 53 CO 0.61 0.30 0.39 0.78 -0.73 0.00 0.00 179.01 180.36 1gqo h GLY 54 N 0.46 1.10 1.11 1.92 0.00 -1.99 -2.11 103.07 103.56 1gqo h GLY 54 Ca 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1gqo h GLY 54 CO -0.38 0.11 0.56 -0.55 0.00 0.00 0.00 176.54 176.29 1gqo h ASP 55 N 0.69 1.04 -0.42 0.19 3.32 -1.63 0.97 116.42 120.58 1gqo h ASP 55 Ca 0.35 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1gqo h ASP 55 Cb 0.30 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1gqo h ASP 55 CO -0.23 0.77 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.90 1gqo h LEU 56 N 1.21 0.81 0.12 1.55 3.38 -1.24 -1.73 115.31 119.41 1gqo h LEU 56 Ca 0.32 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1gqo h LEU 56 Cb -0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1gqo h LEU 56 CO -0.06 0.98 -0.16 0.40 0.09 0.00 0.00 178.44 179.68 1gqo h ILE 57 N 0.63 0.63 -0.43 1.22 2.04 -1.29 -0.84 117.51 119.46 1gqo h ILE 57 Ca 0.11 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.06 1gqo h ILE 57 Cb 0.62 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 1gqo h ILE 57 CO 0.04 0.00 -0.22 0.44 0.00 0.00 0.00 178.15 178.41 1gqo h ASP 58 N -0.33 -0.74 -0.89 1.72 3.32 -0.66 -0.95 116.42 117.88 1gqo h ASP 58 Ca 0.02 0.17 0.07 0.00 0.02 0.00 0.00 57.03 57.30 1gqo h ASP 58 Cb 0.34 0.40 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 1gqo h ASP 58 CO -0.07 -0.25 0.58 0.00 -1.72 0.00 0.00 179.24 177.78 1gqo h ALA 59 N 1.13 1.56 0.12 3.45 0.00 -1.14 -1.83 119.26 122.55 1gqo h ALA 59 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1gqo h ALA 59 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gqo h ALA 59 CO -0.51 0.30 -0.06 0.82 0.00 0.00 0.00 179.25 179.80 1gqo h ILE 60 N 0.97 1.05 -0.64 0.00 2.04 -0.16 0.46 117.51 121.23 1gqo h ILE 60 Ca 0.39 -1.13 0.13 0.00 1.00 0.00 0.00 64.86 65.25 1gqo h ILE 60 Cb 0.25 1.71 -0.10 0.00 -0.74 0.00 0.00 36.82 37.94 1gqo h ILE 60 CO -0.15 0.25 0.06 0.45 0.00 0.00 0.00 178.15 178.77 1gqo h HIS 61 N -0.74 0.08 0.00 1.37 3.86 -0.94 -2.48 115.15 116.30 1gqo h HIS 61 Ca -0.02 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1gqo h HIS 61 Cb 0.54 0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1gqo h HIS 61 CO 0.09 -0.12 0.00 0.93 0.86 0.00 0.00 177.93 179.69 1gqo h GLU 62 N 0.18 0.00 -0.44 2.45 5.08 -1.23 -3.29 114.58 117.34 1gqo h GLU 62 Ca 0.34 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 1gqo h GLU 62 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1gqo h GLU 62 CO -0.50 0.00 0.14 0.00 -1.00 0.00 0.00 179.01 177.65 1gqo h ALA 63 N 2.22 1.44 -1.13 3.43 0.00 -0.41 -3.23 119.26 121.57 1gqo h ALA 63 Ca 0.00 -0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.09 1gqo h ALA 63 Cb 0.79 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1gqo h ALA 63 CO 0.00 0.42 0.79 1.49 0.00 0.00 0.00 179.25 181.96 1gqo h GLU 64 N 0.62 0.09 -0.67 0.00 4.57 -1.69 0.24 114.58 117.74 1gqo h GLU 64 Ca 0.15 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1gqo h GLU 64 Cb 0.18 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1gqo h GLU 64 CO -0.01 0.06 0.00 0.39 -1.18 0.00 0.00 179.01 178.27 1gqo n GLU 65 N -4.30 3.06 0.00 1.92 1.02 -1.22 -4.62 120.64 116.49 1gqo n GLU 65 Ca 0.25 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 1gqo n GLU 65 Cb 1.14 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 1.38 1.31 -4.48 3.49 7.27 0.64 -5.13 117.38 121.86 1gqo n GLN 66 Ca 0.24 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 57.03 1gqo n GLN 66 Cb 0.69 -0.45 -0.09 0.00 2.41 0.00 0.00 30.24 32.81 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 -0.76 2.39 -0.62 3.69 1.51 -0.01 -4.89 117.35 118.66 1gqo s TYR 67 Ca 0.00 -0.71 0.06 0.00 -1.01 0.00 0.00 57.07 55.42 1gqo s TYR 67 Cb 0.00 -1.81 0.16 0.00 -0.11 0.00 0.00 41.96 40.20 1gqo s TYR 67 CO 0.00 0.30 1.06 -1.13 -1.11 0.00 0.00 175.55 174.67 1gqo n SER 68 N -1.13 2.35 0.00 2.29 3.41 0.41 -4.75 113.62 116.19 1gqo n SER 68 Ca -0.06 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1gqo n SER 68 Cb 0.66 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1gqo n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqo n GLY 69 N 0.17 1.08 3.15 5.00 0.00 -1.26 -4.44 105.19 108.88 1gqo n GLY 69 Ca 0.06 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1gqo n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqo s ILE 70 N -2.00 1.55 -0.37 -0.61 1.01 -0.91 -1.69 121.20 118.19 1gqo s ILE 70 Ca 0.00 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1gqo s ILE 70 Cb 0.00 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.18 1gqo s ILE 70 CO 0.00 0.44 0.16 -0.69 0.00 0.00 0.00 174.94 174.86 1gqo s VAL 71 N 0.14 3.91 -0.20 2.92 1.01 0.24 -1.84 120.40 126.58 1gqo s VAL 71 Ca -0.07 -1.26 -0.05 0.00 0.00 0.00 0.00 61.98 60.60 1gqo s VAL 71 Cb -0.13 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1gqo s VAL 71 CO 0.03 -0.31 0.00 -0.22 0.00 0.00 0.00 175.10 174.61 1gqo s LEU 72 N 1.40 3.27 -0.48 3.92 2.96 -0.37 -0.01 118.68 129.36 1gqo s LEU 72 Ca 0.01 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1gqo s LEU 72 Cb -0.21 -1.83 0.13 0.00 0.50 0.00 0.00 46.19 44.78 1gqo s LEU 72 CO 0.02 0.06 0.24 0.21 -1.32 0.00 0.00 176.35 175.56 1gqo s ASN 73 N 1.00 4.76 0.00 3.68 3.84 -0.40 -0.72 114.94 127.10 1gqo s ASN 73 Ca 0.02 -2.62 0.24 0.00 0.21 0.00 0.00 52.86 50.71 1gqo s ASN 73 Cb -0.14 -1.71 1.12 0.00 -0.55 0.00 0.00 41.25 39.97 1gqo s ASN 73 CO 0.02 -0.34 1.76 -0.81 -2.79 0.00 0.00 177.10 174.94 1gqo n PRO 74 N 3.69 1.41 0.00 0.43 -0.04 -1.26 0.63 135.00 139.85 1gqo n PRO 74 Ca 0.04 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 1gqo n PRO 74 Cb 0.37 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.04 0.25 0.32 0.55 0.00 -1.26 -2.81 105.19 103.27 1gqo n GLY 75 Ca 0.18 -0.92 0.20 0.00 0.00 0.00 0.00 46.02 45.47 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo h ALA 76 N -0.65 1.13 -0.91 4.61 0.00 -1.95 -2.46 119.26 119.02 1gqo h ALA 76 Ca 0.00 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.16 1gqo h ALA 76 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1gqo h ALA 76 CO 0.00 0.01 0.66 -0.07 0.00 0.00 0.00 179.25 179.85 1gqo h LEU 77 N 0.00 0.01 -0.96 0.00 3.38 -1.90 -0.44 115.31 115.40 1gqo h LEU 77 Ca -0.00 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.28 1gqo h LEU 77 Cb 0.08 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.66 1gqo h LEU 77 CO 0.00 0.00 0.35 -1.28 0.09 0.00 0.00 178.44 177.61 1gqo h SER 78 N 0.01 0.11 0.55 -0.43 0.87 -1.60 0.11 113.55 113.17 1gqo h SER 78 Ca 0.44 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.22 1gqo h SER 78 Cb 1.73 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.97 1gqo h SER 78 CO -0.01 -0.26 -0.01 1.41 -0.53 0.00 0.00 176.83 177.43 1gqo n HIS 79 N -5.24 0.00 -0.33 2.24 8.25 -0.17 -1.11 115.22 118.85 1gqo n HIS 79 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1gqo n HIS 79 Cb 0.92 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 -1.26 0.00 -2.26 4.41 0.18 -0.63 -4.73 117.16 112.87 1gqo n TYR 80 Ca 0.14 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.59 1gqo n TYR 80 Cb 0.24 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.16 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 5.71 0.51 9.48 0.15 0.29 -4.79 113.70 125.05 1gqo s SER 81 Ca 0.00 -1.27 0.33 0.00 0.70 0.00 0.00 55.95 55.72 1gqo s SER 81 Cb 0.00 -2.57 1.49 0.00 -1.71 0.00 0.00 66.02 63.23 1gqo s SER 81 CO 0.00 -2.26 1.99 1.88 1.20 0.00 0.00 173.24 176.05 1gqo h TYR 82 N 10.18 0.00 -0.05 3.44 -1.99 -1.91 -2.51 116.97 124.12 1gqo h TYR 82 Ca 0.19 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.67 1gqo h TYR 82 Cb 0.98 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.72 1gqo h TYR 82 CO 1.26 0.00 -0.94 0.00 -0.00 0.00 0.00 178.16 178.48 1gqo h ALA 83 N 2.05 0.23 -0.12 3.88 0.00 -1.99 -1.25 119.26 122.07 1gqo h ALA 83 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.12 1gqo h ALA 83 Cb 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1gqo h ALA 83 CO 0.00 0.71 -0.46 0.82 0.00 0.00 0.00 179.25 180.32 1gqo h ILE 84 N 0.41 1.33 -0.05 0.00 2.04 -1.89 -1.22 117.51 118.14 1gqo h ILE 84 Ca -0.10 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.12 1gqo h ILE 84 Cb 1.58 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1gqo h ILE 84 CO 0.18 0.49 0.03 -0.09 0.00 0.00 0.00 178.15 178.76 1gqo h ARG 85 N 0.23 0.06 0.00 2.37 2.43 -1.06 -1.03 114.38 117.39 1gqo h ARG 85 Ca 0.02 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1gqo h ARG 85 Cb 0.90 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1gqo h ARG 85 CO 0.07 0.11 -0.22 -0.44 -1.51 0.00 0.00 179.97 177.98 1gqo h ASP 86 N 0.00 0.00 -0.26 -3.80 5.19 -0.77 -2.64 116.42 114.14 1gqo h ASP 86 Ca 0.02 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1gqo h ASP 86 Cb 0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1gqo h ASP 86 CO -0.00 0.22 0.07 0.00 -3.12 0.00 0.00 179.24 176.40 1gqo h ALA 87 N 1.78 0.35 -0.76 3.45 0.00 0.00 -2.00 119.26 122.08 1gqo h ALA 87 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1gqo h ALA 87 Cb 0.51 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1gqo h ALA 87 CO 0.03 -0.00 0.43 0.28 0.00 0.00 0.00 179.25 179.98 1gqo h VAL 88 N 0.25 1.23 0.00 0.00 2.07 -1.22 -2.23 116.25 116.35 1gqo h VAL 88 Ca 0.08 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1gqo h VAL 88 Cb 0.28 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1gqo h VAL 88 CO 0.00 0.25 -0.29 0.28 0.02 0.00 0.00 177.57 177.83 1gqo h SER 89 N 1.05 0.00 -0.05 0.57 0.02 -1.32 -2.96 113.55 110.85 1gqo h SER 89 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1gqo h SER 89 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1gqo h SER 89 CO -0.04 0.29 0.00 -1.54 -1.14 0.00 0.00 176.83 174.40 1gqo n SER 90 N -4.17 0.82 -4.62 3.07 3.41 -0.76 -4.90 113.62 106.47 1gqo n SER 90 Ca -0.02 -1.42 -0.26 0.00 -0.26 0.00 0.00 58.87 56.91 1gqo n SER 90 Cb 0.34 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.94 2.36 -0.28 -1.33 -4.36 -1.12 -5.06 121.20 109.47 1gqo s ILE 91 Ca 0.36 -1.99 0.22 0.00 -0.26 0.00 0.00 60.65 58.98 1gqo s ILE 91 Cb 0.18 -2.83 -0.31 0.00 1.25 0.00 0.00 42.46 40.75 1gqo s ILE 91 CO 0.29 -0.13 0.58 -1.54 0.24 0.00 0.00 174.94 174.39 1gqo n SER 92 N -0.96 0.28 -4.75 4.36 3.41 -1.26 -4.97 113.62 109.73 1gqo n SER 92 Ca -0.04 -0.25 -0.36 0.00 -0.26 0.00 0.00 58.87 57.95 1gqo n SER 92 Cb 0.64 1.74 0.04 0.00 -0.26 0.00 0.00 64.21 66.37 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 -4.12 3.66 0.08 1.04 1.43 -1.26 -4.99 118.68 114.52 1gqo s LEU 93 Ca -0.04 2.44 -0.31 0.00 -1.03 0.00 0.00 54.13 55.20 1gqo s LEU 93 Cb 0.14 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 1gqo s LEU 93 CO 0.89 -1.65 1.21 -2.16 0.23 0.00 0.00 176.35 174.87 1gqo s PRO 94 N -3.31 4.43 -0.05 1.29 0.04 -1.26 -4.91 135.00 131.23 1gqo s PRO 94 Ca 0.78 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.67 1gqo s PRO 94 Cb -0.32 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.87 1gqo s PRO 94 CO 0.35 -0.25 -0.18 0.08 0.04 0.00 0.00 177.00 177.03 1gqo s VAL 95 N 0.93 2.70 -0.15 -0.36 1.01 -1.26 -2.14 120.40 121.13 1gqo s VAL 95 Ca 0.58 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1gqo s VAL 95 Cb -0.30 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1gqo s VAL 95 CO 0.30 0.58 -0.15 -0.69 0.00 0.00 0.00 175.10 175.14 1gqo s VAL 96 N -0.53 1.65 -0.17 2.92 1.01 -0.77 -1.34 120.40 123.17 1gqo s VAL 96 Ca 0.07 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 1gqo s VAL 96 Cb -0.11 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1gqo s VAL 96 CO 0.01 0.47 0.81 -0.70 0.00 0.00 0.00 175.10 175.69 1gqo s GLU 97 N 1.45 4.29 -0.04 2.72 2.12 -0.99 -1.24 118.70 127.02 1gqo s GLU 97 Ca 0.05 0.98 0.05 0.00 0.36 0.00 0.00 54.97 56.41 1gqo s GLU 97 Cb -0.13 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1gqo s GLU 97 CO -0.11 -0.31 -0.20 0.08 -0.54 0.00 0.00 175.26 174.18 1gqo s VAL 98 N 2.08 1.63 -0.01 3.70 1.01 0.10 -1.37 120.40 127.54 1gqo s VAL 98 Ca 0.37 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1gqo s VAL 98 Cb -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1gqo s VAL 98 CO 0.12 0.46 -0.12 -1.00 0.00 0.00 0.00 175.10 174.57 1gqo s HIS 99 N -0.07 1.13 -0.06 5.22 3.76 -0.63 -4.19 115.29 120.44 1gqo s HIS 99 Ca -0.03 -0.23 -0.17 0.00 -0.15 0.00 0.00 55.06 54.48 1gqo s HIS 99 Cb -0.12 -0.74 -0.13 0.00 1.11 0.00 0.00 32.58 32.70 1gqo s HIS 99 CO 0.02 -0.04 0.69 -0.07 -0.85 0.00 0.00 174.74 174.49 1gqo h LEU 100 N 5.96 -0.20-10.50 0.89 4.07 -1.87 -2.37 115.31 111.30 1gqo h LEU 100 Ca -0.33 -0.27 -0.49 0.00 0.08 0.00 0.00 57.88 56.87 1gqo h LEU 100 Cb 1.17 0.05 0.08 0.00 1.08 0.00 0.00 40.66 43.04 1gqo h LEU 100 CO 0.49 0.35 0.41 -0.94 -1.08 0.00 0.00 178.44 177.67 1gqo s SER 101 N -5.43 5.20 -0.92 -0.43 1.04 -1.26 -1.40 113.70 110.51 1gqo s SER 101 Ca -0.10 1.08 -0.21 0.00 0.48 0.00 0.00 55.95 57.20 1gqo s SER 101 Cb 0.00 -1.82 0.09 0.00 0.10 0.00 0.00 66.02 64.39 1gqo s SER 101 CO 0.37 -1.49 1.23 0.21 0.98 0.00 0.00 173.24 174.54 1gqo s ASN 102 N -4.36 6.50 0.32 7.02 3.84 -1.26 -2.30 114.94 124.69 1gqo s ASN 102 Ca 0.59 -1.60 0.05 0.00 0.21 0.00 0.00 52.86 52.11 1gqo s ASN 102 Cb -0.11 -2.47 0.69 0.00 -0.55 0.00 0.00 41.25 38.80 1gqo s ASN 102 CO 0.51 -1.32 1.85 -0.07 -2.79 0.00 0.00 177.10 175.29 1gqo h LEU 103 N 11.54 0.79 -2.51 3.21 3.38 -1.92 -2.04 115.31 127.76 1gqo h LEU 103 Ca 0.09 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gqo h LEU 103 Cb 1.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1gqo h LEU 103 CO 1.24 0.41 0.00 1.88 0.09 0.00 0.00 178.44 182.06 1gqo h TYR 104 N 0.84 0.00 -0.02 1.13 -1.99 -1.89 0.55 116.97 115.59 1gqo h TYR 104 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 1gqo h TYR 104 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.33 1gqo h TYR 104 CO -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 178.16 178.04 1gqo n ALA 105 N -2.01 2.75 -2.41 3.88 0.00 -0.77 -4.96 120.51 116.98 1gqo n ALA 105 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1gqo n ALA 105 Cb 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.84 3.60 -1.60 0.00 1.74 0.18 -5.06 116.66 116.37 1gqo n ARG 106 Ca 0.13 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 1gqo n ARG 106 Cb 0.53 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.00 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 1.17 -0.34 5.56 4.71 -1.26 -4.87 120.64 125.60 1gqo n GLU 107 Ca 0.00 0.43 0.06 0.00 -0.01 0.00 0.00 57.16 57.64 1gqo n GLU 107 Cb 0.00 -2.03 0.24 0.00 -1.01 0.00 0.00 31.44 28.64 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 1.19 0.99 0.00 3.49 4.81 -1.95 -0.72 114.58 122.38 1gqo h GLU 108 Ca -0.45 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1gqo h GLU 108 Cb 1.35 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1gqo h GLU 108 CO 0.55 0.65 0.00 0.27 -0.73 0.00 0.00 179.01 179.75 1gqo h PHE 109 N 1.02 0.00 -0.00 0.92 -5.15 -1.97 -1.14 116.94 110.62 1gqo h PHE 109 Ca 0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.23 1gqo h PHE 109 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.55 1gqo h PHE 109 CO -0.00 0.00 -0.07 0.54 -2.00 0.00 0.00 178.31 176.78 1gqo n ARG 110 N -3.01 0.87 -0.01 6.09 1.74 -0.28 -4.10 116.66 117.96 1gqo n ARG 110 Ca -0.02 -0.28 0.13 0.00 -0.77 0.00 0.00 57.85 56.91 1gqo n ARG 110 Cb 0.14 -1.49 0.73 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 -0.82 0.01 -4.19 -1.55 8.25 -0.43 -4.74 115.22 111.76 1gqo n HIS 111 Ca 0.17 -0.01 -0.17 0.00 -0.26 0.00 0.00 57.72 57.45 1gqo n HIS 111 Cb 0.26 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.22 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 0.52 -0.12 -0.41 0.00 -1.26 -5.00 119.66 111.40 1gqo s GLN 112 Ca 0.39 -0.19 -0.01 0.00 -0.00 0.00 0.00 55.36 55.55 1gqo s GLN 112 Cb 0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 33.01 32.66 1gqo s GLN 112 CO 0.30 0.10 -0.10 0.45 0.00 0.00 0.00 175.29 176.03 1gqo s SER 113 N 0.02 4.27 0.00 12.60 0.15 -1.26 -4.17 113.70 125.31 1gqo s SER 113 Ca 0.00 -0.23 0.24 0.00 0.70 0.00 0.00 55.95 56.66 1gqo s SER 113 Cb -0.04 -1.53 0.35 0.00 -1.71 0.00 0.00 66.02 63.09 1gqo s SER 113 CO -0.00 0.21 1.30 1.33 1.20 0.00 0.00 173.24 177.28 1gqo n VAL 114 N 3.26 0.00 -0.03 4.45 0.24 -0.27 -3.99 118.33 122.00 1gqo n VAL 114 Ca -0.18 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 1gqo n VAL 114 Cb 0.53 0.59 -0.14 0.00 -1.47 0.00 0.00 33.84 33.35 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 -1.05 1.60 0.05 1.34 5.41 -1.26 -4.52 119.36 120.93 1gqo n ILE 115 Ca 0.08 -0.78 0.06 0.00 1.00 0.00 0.00 62.75 63.11 1gqo n ILE 115 Cb 0.36 -1.08 0.48 0.00 -0.71 0.00 0.00 39.64 38.69 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 0.82 1.81 -0.06 -1.39 0.00 -1.92 -1.40 119.26 117.13 1gqo h ALA 116 Ca -0.36 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1gqo h ALA 116 Cb 2.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1gqo h ALA 116 CO 0.07 0.15 0.05 -1.35 0.00 0.00 0.00 179.25 178.17 1gqo h PRO 117 N 0.42 0.00 -0.01 0.00 0.11 -1.80 -2.42 132.00 128.29 1gqo h PRO 117 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1gqo h PRO 117 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1gqo h PRO 117 CO -0.03 0.00 -0.16 1.33 -0.21 0.00 0.00 178.00 178.93 1gqo n VAL 118 N -4.19 0.00 -2.21 3.15 0.24 -0.54 -4.99 118.33 109.79 1gqo n VAL 118 Ca -0.02 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.34 61.59 1gqo n VAL 118 Cb 0.15 1.23 0.18 0.00 -1.47 0.00 0.00 33.84 33.92 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 -1.49 2.77 0.06 2.33 0.00 -0.91 -4.75 121.76 119.77 1gqo s ALA 119 Ca 0.14 -1.55 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 1gqo s ALA 119 Cb 0.12 -2.42 -0.17 0.00 0.00 0.00 0.00 23.12 20.65 1gqo s ALA 119 CO 0.27 -2.22 1.25 0.87 0.00 0.00 0.00 175.76 175.94 1gqo h LYS 120 N -1.33 0.60 0.00 0.00 1.79 -1.49 -3.49 116.57 112.66 1gqo h LYS 120 Ca -0.40 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.58 1gqo h LYS 120 Cb 1.23 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1gqo h LYS 120 CO 0.33 1.11 0.00 0.41 -1.08 0.00 0.00 179.45 180.22 1gqo n GLY 121 N 0.70 0.77 3.28 3.86 0.00 -1.25 -5.08 105.19 107.48 1gqo n GLY 121 Ca -0.08 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.45 0.63 -0.12 1.61 0.74 -1.26 -2.34 119.66 117.46 1gqo s GLN 122 Ca 0.00 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.55 1gqo s GLN 122 Cb 0.00 0.29 0.02 0.00 1.10 0.00 0.00 33.01 34.42 1gqo s GLN 122 CO 0.00 -0.15 -0.14 0.42 -0.55 0.00 0.00 175.29 174.87 1gqo s ILE 123 N -0.74 1.48 0.01 -2.34 1.01 -0.47 -4.98 121.20 115.18 1gqo s ILE 123 Ca -0.08 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1gqo s ILE 123 Cb -0.04 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 1gqo s ILE 123 CO 0.03 0.44 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 1gqo s VAL 124 N 1.18 1.02 0.00 2.92 1.01 -1.26 -1.60 120.40 123.67 1gqo s VAL 124 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1gqo s VAL 124 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1gqo s VAL 124 CO -0.05 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1gqo n GLY 125 N 2.39 1.33 1.72 4.51 0.00 -0.89 -4.85 105.19 109.41 1gqo n GLY 125 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 5.14 0.00 0.99 4.77 -1.16 -4.52 117.00 122.23 1gqo n LEU 126 Ca 0.00 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 1gqo n LEU 126 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1gqo n LEU 126 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1gqo n GLY 127 N 0.19 0.88 0.24 -0.72 0.00 -0.49 -3.59 105.19 101.70 1gqo n GLY 127 Ca 0.29 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.93 1.66 -1.12 4.61 0.00 -1.94 -0.82 119.26 120.72 1gqo h ALA 128 Ca 0.00 -0.12 0.31 0.00 0.00 0.00 0.00 54.91 55.10 1gqo h ALA 128 Cb 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 1gqo h ALA 128 CO 0.00 0.16 0.75 1.49 0.00 0.00 0.00 179.25 181.65 1gqo h GLU 129 N 0.00 0.24 -0.84 0.00 4.57 -1.99 -1.97 114.58 114.59 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 0.25 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1gqo h GLU 129 CO 0.02 0.16 0.57 0.78 -1.18 0.00 0.00 179.01 179.36 1gqo h GLY 130 N 0.25 0.55 1.03 1.92 0.00 -1.20 0.48 103.07 106.11 1gqo h GLY 130 Ca 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.80 1gqo h GLY 130 CO -0.24 0.00 0.42 -0.97 0.00 0.00 0.00 176.54 175.76 1gqo h TYR 131 N 0.27 1.19 -0.20 5.60 -1.99 -1.56 -1.48 116.97 118.81 1gqo h TYR 131 Ca 0.42 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 61.03 1gqo h TYR 131 Cb 1.23 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 39.59 1gqo h TYR 131 CO -0.00 0.85 -0.14 0.87 -0.00 0.00 0.00 178.16 179.74 1gqo h LYS 132 N 1.19 0.45 -0.80 4.88 1.57 -1.21 0.16 116.57 122.81 1gqo h LYS 132 Ca 0.29 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1gqo h LYS 132 Cb 0.09 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1gqo h LYS 132 CO -0.04 0.77 0.33 -0.07 -0.57 0.00 0.00 179.45 179.87 1gqo h LEU 133 N 0.13 1.09 -0.80 2.94 3.38 -0.85 0.05 115.31 121.26 1gqo h LEU 133 Ca 0.04 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1gqo h LEU 133 Cb 0.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1gqo h LEU 133 CO 0.04 0.96 -0.15 0.00 0.09 0.00 0.00 178.44 179.38 1gqo h ALA 134 N 1.17 0.98 -0.58 1.53 0.00 -1.05 -1.60 119.26 119.71 1gqo h ALA 134 Ca 0.27 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1gqo h ALA 134 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1gqo h ALA 134 CO -0.02 0.60 0.07 0.28 0.00 0.00 0.00 179.25 180.18 1gqo h VAL 135 N 0.67 1.25 -0.56 0.00 2.07 -0.51 -1.95 116.25 117.22 1gqo h VAL 135 Ca 0.11 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1gqo h VAL 135 Cb 0.62 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1gqo h VAL 135 CO 0.04 0.36 0.15 0.03 0.02 0.00 0.00 177.57 178.18 1gqo h ARG 136 N 0.89 0.89 -0.66 1.57 3.08 -0.52 -1.47 114.38 118.16 1gqo h ARG 136 Ca 0.18 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1gqo h ARG 136 Cb 0.42 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1gqo h ARG 136 CO 0.01 0.82 0.40 -0.92 -1.07 0.00 0.00 179.97 179.21 1gqo h TYR 137 N 0.79 0.74 -0.64 3.04 3.20 -1.25 -0.25 116.97 122.61 1gqo h TYR 137 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1gqo h TYR 137 Cb 0.32 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1gqo h TYR 137 CO 0.02 0.41 0.29 -0.07 -1.64 0.00 0.00 178.16 177.17 1gqo h LEU 138 N 0.77 0.86 -0.45 2.82 4.07 -0.82 -2.00 115.31 120.57 1gqo h LEU 138 Ca 0.27 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 1gqo h LEU 138 Cb 0.05 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1gqo h LEU 138 CO -0.12 0.77 0.20 -0.07 -1.08 0.00 0.00 178.44 178.14 1gqo h LEU 139 N 0.89 0.61 0.00 1.67 3.38 -1.14 0.18 115.31 120.90 1gqo h LEU 139 Ca 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gqo h LEU 139 Cb 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gqo h LEU 139 CO -0.02 0.59 0.00 -1.54 0.09 0.00 0.00 178.44 177.56 1gqo n SER 140 N -4.62 0.00 -0.33 -0.43 3.41 -0.12 -5.12 113.62 106.42 1gqo n SER 140 Ca 0.01 0.41 0.04 0.00 -0.26 0.00 0.00 58.87 59.07 1gqo n SER 140 Cb 0.13 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88