#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 2.98 0.10 6.00 2.46 -1.26 -1.63 115.29 123.94 1gqo s HIS 2 Ca 0.00 -0.60 0.08 0.00 0.47 0.00 0.00 55.06 55.01 1gqo s HIS 2 Cb 0.00 -2.03 -0.04 0.00 -0.13 0.00 0.00 32.58 30.38 1gqo s HIS 2 CO 0.00 -0.29 -0.16 -0.06 -2.47 0.00 0.00 174.74 171.76 1gqo s PHE 3 N 0.92 2.60 -0.18 3.88 2.99 0.10 -1.03 117.98 127.27 1gqo s PHE 3 Ca -0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 56.93 56.61 1gqo s PHE 3 Cb -0.15 -1.39 -0.05 0.00 0.00 0.00 0.00 43.02 41.44 1gqo s PHE 3 CO 0.01 0.38 0.12 -1.17 -0.00 0.00 0.00 175.22 174.56 1gqo s LEU 4 N -2.08 4.16 -0.37 -0.37 0.20 -0.90 -1.21 118.68 118.12 1gqo s LEU 4 Ca 0.19 0.25 -0.03 0.00 0.69 0.00 0.00 54.13 55.23 1gqo s LEU 4 Cb -0.11 -2.06 0.09 0.00 -0.43 0.00 0.00 46.19 43.68 1gqo s LEU 4 CO 0.11 0.23 0.13 -0.63 -0.29 0.00 0.00 176.35 175.90 1gqo s ILE 5 N 0.03 3.21 -0.27 6.68 -1.09 -0.23 -0.63 121.20 128.90 1gqo s ILE 5 Ca 0.09 -1.78 -0.05 0.00 -2.23 0.00 0.00 60.65 56.67 1gqo s ILE 5 Cb -0.11 -3.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1gqo s ILE 5 CO -0.00 -0.47 0.03 -0.22 -1.23 0.00 0.00 174.94 173.04 1gqo s LEU 6 N 1.19 3.56 -0.11 2.97 0.20 -0.23 -1.80 118.68 124.45 1gqo s LEU 6 Ca 0.03 -0.71 0.01 0.00 0.69 0.00 0.00 54.13 54.15 1gqo s LEU 6 Cb -0.21 -1.81 -0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1gqo s LEU 6 CO -0.03 -0.15 -0.13 0.20 -0.29 0.00 0.00 176.35 175.95 1gqo s ASN 7 N 1.45 4.02 0.06 3.68 0.01 -0.53 -1.41 114.94 122.22 1gqo s ASN 7 Ca 0.02 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 51.88 1gqo s ASN 7 Cb -0.17 -1.44 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1gqo s ASN 7 CO -0.00 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.41 1gqo n GLY 8 N 3.25 0.70 3.76 0.66 0.00 0.16 -1.72 105.19 112.00 1gqo n GLY 8 Ca -0.18 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 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 1.08 3.49 0.00 1.61 0.04 -1.02 -2.68 135.00 137.53 1gqo s PRO 9 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1gqo s PRO 9 Cb 0.00 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1gqo s PRO 9 CO 0.00 -0.85 0.00 0.09 0.04 0.00 0.00 177.00 176.28 1gqo n ASN 10 N -0.66 0.00 0.20 6.66 3.02 -1.26 -4.54 115.26 118.68 1gqo n ASN 10 Ca 0.08 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.68 1gqo n ASN 10 Cb 0.46 -1.11 0.44 0.00 -0.61 0.00 0.00 39.78 38.95 1gqo n ASN 10 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1gqo h VAL 11 N 0.00 1.08 0.00 2.41 2.07 -1.88 -1.68 116.25 118.25 1gqo h VAL 11 Ca 0.00 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1gqo h VAL 11 Cb 0.00 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1gqo h VAL 11 CO 0.00 0.30 0.00 -0.55 0.02 0.00 0.00 177.57 177.34 1gqo h ASN 12 N 0.00 0.00 -0.05 0.57 -1.07 -1.88 -2.78 115.58 110.37 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 0.59 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.84 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 -2.82 1.71 -1.59 4.14 5.12 -0.63 -4.67 116.66 117.93 1gqo n ARG 13 Ca -0.01 -1.04 -0.56 0.00 -1.93 0.00 0.00 57.85 54.30 1gqo n ARG 13 Cb 0.13 -1.46 -0.08 0.00 -1.16 0.00 0.00 32.46 29.89 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 0.27 2.10 0.00 0.55 4.32 -1.05 -3.33 117.00 119.86 1gqo n LEU 14 Ca 0.18 0.85 0.00 0.00 -0.02 0.00 0.00 56.01 57.03 1gqo n LEU 14 Cb 0.36 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 1gqo n LEU 14 CO 0.16 -0.56 0.00 0.61 -1.22 0.00 0.00 177.39 176.38 1gqo n GLY 15 N 5.22 2.35 0.37 -0.72 0.00 -1.25 -4.15 105.19 107.01 1gqo n GLY 15 Ca 0.34 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1gqo n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gqo h SER 16 N 0.00 0.00 -5.73 1.61 4.64 -1.94 -3.43 113.55 108.70 1gqo h SER 16 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1gqo h SER 16 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 1gqo h SER 16 CO 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 175.61 1gqo s ARG 17 N -4.12 1.84 0.00 4.77 1.70 -1.26 -5.10 118.95 116.78 1gqo s ARG 17 Ca -0.01 -1.91 0.00 0.00 -0.47 0.00 0.00 55.73 53.34 1gqo s ARG 17 Cb 0.05 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1gqo s ARG 17 CO 0.16 -0.72 0.00 -0.85 -1.08 0.00 0.00 175.30 172.81 1gqo n GLU 18 N -0.60 0.00 0.18 3.89 0.28 -1.26 -4.90 120.64 118.23 1gqo n GLU 18 Ca 0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.10 1gqo n GLU 18 Cb 0.62 0.00 0.29 0.00 1.43 0.00 0.00 31.44 33.78 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 0.16 0.00 -0.66 3.44 0.11 -1.89 -2.47 132.00 130.69 1gqo h PRO 19 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1gqo h PRO 19 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1gqo h PRO 19 CO 0.00 0.39 0.18 1.05 -0.21 0.00 0.00 178.00 179.42 1gqo h GLU 20 N 0.00 1.05 0.00 1.05 -0.00 -1.90 1.21 114.58 115.98 1gqo h GLU 20 Ca -0.00 -0.24 -0.12 0.00 -0.00 0.00 0.00 59.36 58.99 1gqo h GLU 20 Cb 0.97 -0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 29.55 1gqo h GLU 20 CO 0.05 0.92 -1.39 0.28 -0.00 0.00 0.00 179.01 178.88 1gqo n VAL 21 N -4.31 0.98 0.15 -1.06 0.31 -1.23 -4.59 118.33 108.57 1gqo n VAL 21 Ca 0.04 -0.65 0.03 0.00 -0.01 0.00 0.00 64.34 63.75 1gqo n VAL 21 Cb 0.24 -0.58 -0.04 0.00 -0.91 0.00 0.00 33.84 32.55 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 -2.79 0.00 0.00 3.52 0.99 -0.93 -4.11 117.46 114.14 1gqo n PHE 22 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 1gqo n PHE 22 Cb 0.76 -0.05 0.00 0.00 -1.00 0.00 0.00 39.48 39.19 1gqo n PHE 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1gqo n GLY 23 N 1.55 -1.80 0.98 1.37 0.00 0.42 -4.74 105.19 102.97 1gqo n GLY 23 Ca 0.00 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.63 1gqo n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqo n ARG 24 N -1.18 2.26 -1.71 1.61 1.74 -1.26 -4.38 116.66 113.74 1gqo n ARG 24 Ca 0.00 -2.08 -0.31 0.00 -0.77 0.00 0.00 57.85 54.69 1gqo n ARG 24 Cb 0.00 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1gqo n ARG 24 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1gqo s GLN 25 N -1.37 3.10 0.60 5.56 0.00 -1.26 -4.79 119.66 121.50 1gqo s GLN 25 Ca 0.32 0.81 0.06 0.00 -0.00 0.00 0.00 55.36 56.55 1gqo s GLN 25 Cb 0.19 -2.02 0.09 0.00 0.00 0.00 0.00 33.01 31.27 1gqo s GLN 25 CO 0.27 -0.95 0.83 0.95 0.00 0.00 0.00 175.29 176.39 1gqo s THR 26 N -3.13 2.26 0.22 3.63 -4.23 -1.26 -3.95 115.64 109.17 1gqo s THR 26 Ca 0.57 -0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 60.18 1gqo s THR 26 Cb -0.13 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.34 1gqo s THR 26 CO 0.54 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 176.50 1gqo h LEU 27 N 0.00 0.77 -0.34 4.79 5.85 -1.83 -1.75 115.31 122.81 1gqo h LEU 27 Ca -0.33 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 1gqo h LEU 27 Cb 1.28 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1gqo h LEU 27 CO 0.42 0.98 0.21 0.74 -0.34 0.00 0.00 178.44 180.45 1gqo h THR 28 N 0.66 1.11 -0.23 1.05 2.02 -1.94 -1.32 112.91 114.25 1gqo h THR 28 Ca 0.09 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1gqo h THR 28 Cb 0.74 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 1gqo h THR 28 CO 0.06 0.11 -0.12 0.44 0.37 0.00 0.00 175.52 176.37 1gqo h ASP 29 N 0.45 -0.41 -0.63 4.18 3.32 -1.77 -1.17 116.42 120.39 1gqo h ASP 29 Ca 0.12 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.34 1gqo h ASP 29 Cb -0.01 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1gqo h ASP 29 CO -0.02 -0.16 0.33 0.40 -1.72 0.00 0.00 179.24 178.06 1gqo h ILE 30 N -0.10 0.92 -0.49 0.35 2.04 -1.12 -1.85 117.51 117.25 1gqo h ILE 30 Ca 0.13 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1gqo h ILE 30 Cb 0.29 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1gqo h ILE 30 CO -0.30 0.11 0.20 -0.33 0.00 0.00 0.00 178.15 177.83 1gqo h GLU 31 N 0.60 0.74 -0.20 2.37 5.08 -0.76 -1.15 114.58 121.26 1gqo h GLU 31 Ca 0.29 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1gqo h GLU 31 Cb 0.23 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1gqo h GLU 31 CO -0.21 0.65 -0.06 1.15 -1.00 0.00 0.00 179.01 179.55 1gqo h THR 32 N 0.66 0.79 -0.49 1.13 2.02 -0.82 -0.92 112.91 115.28 1gqo h THR 32 Ca 0.17 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1gqo h THR 32 Cb 0.19 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1gqo h THR 32 CO -0.01 0.00 0.29 0.44 0.37 0.00 0.00 175.52 176.60 1gqo h ASP 33 N -0.01 0.59 -0.50 4.18 3.32 -1.15 -2.42 116.42 120.44 1gqo h ASP 33 Ca 0.10 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1gqo h ASP 33 Cb 0.16 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1gqo h ASP 33 CO -0.21 0.48 0.31 -0.07 -1.72 0.00 0.00 179.24 178.03 1gqo h LEU 34 N 0.65 0.59 -0.58 1.55 3.38 -0.78 -0.43 115.31 119.69 1gqo h LEU 34 Ca 0.17 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.22 1gqo h LEU 34 Cb 0.01 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.51 1gqo h LEU 34 CO -0.03 0.46 -0.06 -0.26 0.09 0.00 0.00 178.44 178.64 1gqo h PHE 35 N 0.67 -0.15 -0.29 1.13 0.05 -0.92 0.93 116.94 118.37 1gqo h PHE 35 Ca 0.18 0.05 -0.10 0.00 3.82 0.00 0.00 57.97 61.91 1gqo h PHE 35 Cb -0.03 0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 1gqo h PHE 35 CO -0.03 -0.20 -0.25 1.96 -0.18 0.00 0.00 178.31 179.61 1gqo h GLN 36 N 0.06 0.56 -0.33 1.51 4.20 -1.10 0.14 115.11 120.15 1gqo h GLN 36 Ca 0.30 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 1gqo h GLN 36 Cb 0.47 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1gqo h GLN 36 CO -0.54 0.77 -0.21 0.35 -0.67 0.00 0.00 178.83 178.53 1gqo h PHE 37 N 0.49 0.85 -0.27 2.96 3.57 -0.01 -1.83 116.94 122.70 1gqo h PHE 37 Ca 0.07 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 1gqo h PHE 37 Cb 0.70 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1gqo h PHE 37 CO 0.03 0.95 -0.05 0.00 -2.23 0.00 0.00 178.31 177.01 1gqo h ALA 38 N 0.76 0.37 -0.80 2.41 0.00 0.18 -1.52 119.26 120.66 1gqo h ALA 38 Ca 0.07 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.86 1gqo h ALA 38 Cb 0.76 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1gqo h ALA 38 CO 0.06 0.17 0.37 0.93 0.00 0.00 0.00 179.25 180.77 1gqo h GLU 39 N 0.27 0.51 0.00 0.00 3.07 -0.46 -1.03 114.58 116.95 1gqo h GLU 39 Ca 0.07 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 1gqo h GLU 39 Cb 0.51 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1gqo h GLU 39 CO 0.02 0.34 -0.36 0.00 -1.40 0.00 0.00 179.01 177.61 1gqo h ALA 40 N 1.56 1.13 -0.32 3.43 0.00 -0.70 -1.85 119.26 122.51 1gqo h ALA 40 Ca 0.44 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gqo h ALA 40 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1gqo h ALA 40 CO -0.39 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1gqo n LEU 41 N -3.71 3.03 -2.98 0.00 4.77 -0.50 -4.97 117.00 112.63 1gqo n LEU 41 Ca -0.01 -1.28 -0.13 0.00 -0.03 0.00 0.00 56.01 54.56 1gqo n LEU 41 Cb 0.45 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1gqo n LEU 41 CO 0.37 0.64 0.06 1.41 -1.33 0.00 0.00 177.39 178.54 1gqo n HIS 42 N 1.22 -1.90 -4.10 -1.77 8.25 -0.54 -5.06 115.22 111.31 1gqo n HIS 42 Ca 0.18 0.75 -0.09 0.00 -0.26 0.00 0.00 57.72 58.30 1gqo n HIS 42 Cb 0.54 -4.26 -0.10 0.00 1.12 0.00 0.00 29.99 27.29 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 -3.31 0.40 0.07 1.59 -4.36 -0.95 -4.69 121.20 109.96 1gqo s ILE 43 Ca 0.16 -1.70 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 1gqo s ILE 43 Cb -0.02 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.28 1gqo s ILE 43 CO 0.61 -0.85 0.06 -1.10 0.24 0.00 0.00 174.94 173.90 1gqo s GLN 44 N -3.43 2.84 0.02 0.37 -0.21 -0.65 -4.33 119.66 114.28 1gqo s GLN 44 Ca 0.05 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.77 1gqo s GLN 44 Cb 0.04 -2.71 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 1gqo s GLN 44 CO -0.06 0.57 -0.11 -0.51 -2.12 0.00 0.00 175.29 173.06 1gqo s LEU 45 N -2.29 2.12 -0.04 2.90 1.43 -1.26 -0.72 118.68 120.82 1gqo s LEU 45 Ca 0.28 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1gqo s LEU 45 Cb -0.12 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 1gqo s LEU 45 CO 0.20 0.03 -0.23 -0.89 0.23 0.00 0.00 176.35 175.69 1gqo s THR 46 N -0.68 1.88 -0.08 5.49 2.01 -0.35 -4.94 115.64 118.97 1gqo s THR 46 Ca 0.01 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 1gqo s THR 46 Cb -0.06 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1gqo s THR 46 CO 0.00 0.53 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.10 1gqo s PHE 47 N -0.34 3.14 -0.15 4.92 0.40 -1.26 -1.07 117.98 123.62 1gqo s PHE 47 Ca 0.03 0.17 -0.08 0.00 -0.60 0.00 0.00 56.93 56.45 1gqo s PHE 47 Cb -0.11 -1.77 0.05 0.00 0.51 0.00 0.00 43.02 41.70 1gqo s PHE 47 CO 0.01 0.46 0.36 0.12 0.70 0.00 0.00 175.22 176.87 1gqo s PHE 48 N -0.90 -0.51 -0.02 0.36 5.36 -0.75 -4.98 117.98 116.54 1gqo s PHE 48 Ca 0.14 1.13 0.04 0.00 -0.96 0.00 0.00 56.93 57.28 1gqo s PHE 48 Cb -0.11 0.20 -0.01 0.00 -0.34 0.00 0.00 43.02 42.76 1gqo s PHE 48 CO 0.03 -0.30 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.19 1gqo s GLN 49 N 1.30 1.36 0.03 10.12 -0.44 -1.26 -1.45 119.66 129.32 1gqo s GLN 49 Ca -0.09 -0.54 -0.12 0.00 -2.50 0.00 0.00 55.36 52.10 1gqo s GLN 49 Cb -0.09 -1.27 0.01 0.00 -1.64 0.00 0.00 33.01 30.03 1gqo s GLN 49 CO -0.11 0.29 0.26 0.45 0.50 0.00 0.00 175.29 176.69 1gqo s SER 50 N -0.21 -0.08 0.00 6.67 0.15 -0.70 -5.00 113.70 114.53 1gqo s SER 50 Ca 0.03 -0.21 0.26 0.00 0.70 0.00 0.00 55.95 56.73 1gqo s SER 50 Cb -0.08 0.32 0.70 0.00 -1.71 0.00 0.00 66.02 65.26 1gqo s SER 50 CO 0.00 -0.57 1.54 0.59 1.20 0.00 0.00 173.24 176.00 1gqo n ASN 51 N 0.73 0.64 -4.70 5.45 3.02 -1.26 -2.43 115.26 116.70 1gqo n ASN 51 Ca -0.19 -0.44 -0.36 0.00 -0.03 0.00 0.00 54.58 53.56 1gqo n ASN 51 Cb 0.59 0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.81 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 -2.79 3.38 0.21 3.10 3.76 -1.26 -4.64 115.29 117.05 1gqo s HIS 52 Ca 0.17 0.31 -0.10 0.00 -0.15 0.00 0.00 55.06 55.30 1gqo s HIS 52 Cb 0.18 -2.22 0.30 0.00 1.11 0.00 0.00 32.58 31.95 1gqo s HIS 52 CO 0.61 0.20 1.71 1.49 -0.85 0.00 0.00 174.74 177.91 1gqo h GLU 53 N 6.98 0.29 -0.57 1.40 4.81 -2.01 -1.49 114.58 123.99 1gqo h GLU 53 Ca -0.40 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.88 1gqo h GLU 53 Cb 1.16 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1gqo h GLU 53 CO 0.72 0.19 0.38 0.78 -0.73 0.00 0.00 179.01 180.35 1gqo h GLY 54 N 0.30 0.66 1.54 1.92 0.00 -1.99 -1.05 103.07 104.45 1gqo h GLY 54 Ca 0.32 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 1gqo h GLY 54 CO -0.38 0.16 -0.71 -0.55 0.00 0.00 0.00 176.54 175.06 1gqo h ASP 55 N 0.53 0.53 -0.35 0.19 3.32 -1.70 -1.22 116.42 117.72 1gqo h ASP 55 Ca 0.25 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1gqo h ASP 55 Cb 0.30 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1gqo h ASP 55 CO -0.07 1.08 -0.21 -0.07 -1.72 0.00 0.00 179.24 178.25 1gqo h LEU 56 N 0.31 0.79 -0.70 1.55 3.38 -0.97 -0.92 115.31 118.76 1gqo h LEU 56 Ca -0.03 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1gqo h LEU 56 Cb 1.28 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1gqo h LEU 56 CO 0.12 1.04 0.37 0.40 0.09 0.00 0.00 178.44 180.47 1gqo h ILE 57 N 0.54 1.22 -0.37 1.22 2.04 -1.18 -0.69 117.51 120.30 1gqo h ILE 57 Ca 0.07 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1gqo h ILE 57 Cb 0.76 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1gqo h ILE 57 CO 0.06 0.25 0.20 0.44 0.00 0.00 0.00 178.15 179.10 1gqo h ASP 58 N 0.96 0.46 -0.36 1.72 3.32 -1.14 -1.03 116.42 120.36 1gqo h ASP 58 Ca 0.24 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1gqo h ASP 58 Cb 0.06 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1gqo h ASP 58 CO -0.04 0.42 0.04 0.00 -1.72 0.00 0.00 179.24 177.94 1gqo h ALA 59 N 1.06 1.25 -0.40 3.45 0.00 -1.03 -2.27 119.26 121.32 1gqo h ALA 59 Ca 0.13 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1gqo h ALA 59 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1gqo h ALA 59 CO -0.02 0.51 -0.20 0.82 0.00 0.00 0.00 179.25 180.36 1gqo h ILE 60 N 0.66 1.28 -0.44 0.00 2.04 -0.27 -1.39 117.51 119.39 1gqo h ILE 60 Ca 0.14 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 1gqo h ILE 60 Cb 0.35 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1gqo h ILE 60 CO 0.01 0.45 0.26 0.45 0.00 0.00 0.00 178.15 179.31 1gqo h HIS 61 N 0.65 0.58 0.00 1.37 3.86 -1.06 -2.93 115.15 117.63 1gqo h HIS 61 Ca 0.09 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1gqo h HIS 61 Cb 0.76 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1gqo h HIS 61 CO 0.06 0.42 0.00 0.93 0.86 0.00 0.00 177.93 180.20 1gqo h GLU 62 N 0.58 0.00 -0.79 2.45 5.08 -1.29 -3.32 114.58 117.29 1gqo h GLU 62 Ca 0.16 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1gqo h GLU 62 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1gqo h GLU 62 CO -0.03 0.00 0.31 0.00 -1.00 0.00 0.00 179.01 178.29 1gqo h ALA 63 N 2.20 1.06 -1.11 3.43 0.00 -1.05 -3.26 119.26 120.53 1gqo h ALA 63 Ca 0.00 -0.20 0.33 0.00 0.00 0.00 0.00 54.91 55.04 1gqo h ALA 63 Cb 0.66 -0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.02 1gqo h ALA 63 CO 0.00 0.66 0.69 1.49 0.00 0.00 0.00 179.25 182.10 1gqo h GLU 64 N 1.15 0.29 -0.54 0.00 4.57 -1.69 -0.17 114.58 118.19 1gqo h GLU 64 Ca 0.26 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1gqo h GLU 64 Cb 0.22 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1gqo h GLU 64 CO -0.02 0.19 0.00 0.39 -1.18 0.00 0.00 179.01 178.39 1gqo n GLU 65 N -4.77 2.45 0.00 1.92 1.02 -1.23 -4.59 120.64 115.44 1gqo n GLU 65 Ca 0.31 -2.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1gqo n GLU 65 Cb 1.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 1.35 0.35 -4.32 3.49 7.27 -0.24 -5.13 117.38 120.15 1gqo n GLN 66 Ca 0.21 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.03 1gqo n GLN 66 Cb 0.55 -0.57 -0.09 0.00 2.41 0.00 0.00 30.24 32.55 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 -1.13 2.56 -1.53 3.69 1.51 -0.26 -4.88 117.35 117.31 1gqo s TYR 67 Ca 0.00 -0.52 0.14 0.00 -1.01 0.00 0.00 57.07 55.68 1gqo s TYR 67 Cb 0.00 -1.67 0.23 0.00 -0.11 0.00 0.00 41.96 40.40 1gqo s TYR 67 CO 0.00 0.39 1.10 -1.13 -1.11 0.00 0.00 175.55 174.80 1gqo n SER 68 N -1.04 2.59 -3.64 2.29 3.41 -0.19 -4.74 113.62 112.30 1gqo n SER 68 Ca -0.03 -1.76 -0.02 0.00 -0.26 0.00 0.00 58.87 56.79 1gqo n SER 68 Cb 0.64 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.11 -0.16 -0.01 5.00 0.00 -1.26 -4.47 107.32 105.31 1gqo s GLY 69 Ca 0.22 2.03 0.04 0.00 0.00 0.00 0.00 44.72 47.00 1gqo s GLY 69 CO 0.19 0.70 -0.12 -0.42 0.00 0.00 0.00 173.10 173.45 1gqo s ILE 70 N -1.92 0.94 -0.33 0.90 1.01 -0.63 -2.11 121.20 119.06 1gqo s ILE 70 Ca 0.11 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 1gqo s ILE 70 Cb -0.01 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.70 1gqo s ILE 70 CO -0.03 0.27 0.11 -0.69 0.00 0.00 0.00 174.94 174.59 1gqo s VAL 71 N -0.20 3.88 -0.23 2.92 1.01 0.19 -1.77 120.40 126.20 1gqo s VAL 71 Ca 0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1gqo s VAL 71 Cb -0.05 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1gqo s VAL 71 CO -0.00 -0.12 -0.06 -0.22 0.00 0.00 0.00 175.10 174.70 1gqo s LEU 72 N 1.44 2.91 -0.46 3.92 2.96 -0.40 -1.06 118.68 127.98 1gqo s LEU 72 Ca -0.00 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1gqo s LEU 72 Cb -0.19 -1.70 0.12 0.00 0.50 0.00 0.00 46.19 44.93 1gqo s LEU 72 CO 0.03 -0.05 0.26 0.21 -1.32 0.00 0.00 176.35 175.48 1gqo s ASN 73 N 1.42 5.26 0.00 3.68 3.84 -0.50 -0.94 114.94 127.71 1gqo s ASN 73 Ca 0.04 -2.22 0.23 0.00 0.21 0.00 0.00 52.86 51.13 1gqo s ASN 73 Cb -0.15 -1.84 0.92 0.00 -0.55 0.00 0.00 41.25 39.63 1gqo s ASN 73 CO -0.05 -0.51 1.65 -0.81 -2.79 0.00 0.00 177.10 174.60 1gqo n PRO 74 N 4.35 1.62 0.00 0.43 -0.04 -1.26 0.36 135.00 140.46 1gqo n PRO 74 Ca -0.00 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1gqo n PRO 74 Cb 0.40 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.11 -0.31 0.03 0.55 0.00 -1.26 -2.82 105.19 102.49 1gqo n GLY 75 Ca 0.17 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.18 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo n ALA 76 N 2.23 1.35 0.29 4.61 0.00 -1.26 -2.71 120.51 125.02 1gqo n ALA 76 Ca 0.00 0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1gqo n ALA 76 Cb 0.00 -1.17 0.88 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.87 0.00 3.38 -1.90 -1.63 115.31 114.29 1gqo h LEU 77 Ca 0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1gqo h LEU 77 Cb 0.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.77 1gqo h LEU 77 CO 0.00 0.05 0.34 -1.28 0.09 0.00 0.00 178.44 177.64 1gqo h SER 78 N 0.00 0.23 1.40 -0.43 0.87 -1.68 -0.02 113.55 113.92 1gqo h SER 78 Ca -0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1gqo h SER 78 Cb 0.26 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1gqo h SER 78 CO 0.01 -0.04 0.00 0.45 -0.53 0.00 0.00 176.83 176.72 1gqo h HIS 79 N 0.35 0.00 0.00 2.24 3.86 -1.44 0.31 115.15 120.46 1gqo h HIS 79 Ca 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1gqo h HIS 79 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1gqo h HIS 79 CO -0.18 0.00 0.00 2.48 0.86 0.00 0.00 177.93 181.09 1gqo n TYR 80 N -2.61 0.00 -2.86 2.45 0.18 -0.89 -4.62 117.16 108.82 1gqo n TYR 80 Ca 0.04 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.38 1gqo n TYR 80 Cb 0.40 0.01 -0.01 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 6.81 0.52 9.48 0.15 -0.07 -4.73 113.70 125.85 1gqo s SER 81 Ca 0.00 -2.39 0.29 0.00 0.70 0.00 0.00 55.95 54.55 1gqo s SER 81 Cb 0.00 -2.44 1.40 0.00 -1.71 0.00 0.00 66.02 63.27 1gqo s SER 81 CO 0.00 -1.00 2.03 1.88 1.20 0.00 0.00 173.24 177.35 1gqo h TYR 82 N 8.16 0.00 -0.00 3.44 -1.99 -1.91 -2.28 116.97 122.39 1gqo h TYR 82 Ca 0.25 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.98 1gqo h TYR 82 Cb 0.95 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.68 1gqo h TYR 82 CO 1.18 0.12 0.00 0.00 -0.00 0.00 0.00 178.16 179.46 1gqo h ALA 83 N 1.88 0.00 -0.32 3.88 0.00 -1.98 -1.72 119.26 121.00 1gqo h ALA 83 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1gqo h ALA 83 Cb 0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1gqo h ALA 83 CO 0.02 -0.45 0.01 0.82 0.00 0.00 0.00 179.25 179.65 1gqo h ILE 84 N -0.10 1.18 -0.12 0.00 2.04 -1.81 -2.13 117.51 116.57 1gqo h ILE 84 Ca 0.00 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.18 1gqo h ILE 84 Cb 0.10 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1gqo h ILE 84 CO -0.00 0.25 -0.07 -0.09 0.00 0.00 0.00 178.15 178.24 1gqo h ARG 85 N 0.47 -0.06 -0.08 2.37 2.43 -1.11 -2.00 114.38 116.40 1gqo h ARG 85 Ca 0.10 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1gqo h ARG 85 Cb 0.29 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1gqo h ARG 85 CO 0.01 -0.04 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.67 1gqo h ASP 86 N -0.07 0.15 -0.08 -3.80 5.19 -0.89 -2.37 116.42 114.54 1gqo h ASP 86 Ca 0.07 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1gqo h ASP 86 Cb 0.17 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1gqo h ASP 86 CO -0.16 0.46 0.04 0.00 -3.12 0.00 0.00 179.24 176.46 1gqo h ALA 87 N 1.55 0.09 -0.69 3.45 0.00 -1.06 -1.59 119.26 121.03 1gqo h ALA 87 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gqo h ALA 87 Cb 0.63 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1gqo h ALA 87 CO 0.05 -0.43 0.45 0.28 0.00 0.00 0.00 179.25 179.60 1gqo h VAL 88 N 0.08 1.15 0.00 0.00 2.07 -1.02 -2.19 116.25 116.34 1gqo h VAL 88 Ca 0.03 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1gqo h VAL 88 Cb 0.01 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1gqo h VAL 88 CO -0.03 0.16 -0.06 0.28 0.02 0.00 0.00 177.57 177.95 1gqo h SER 89 N 0.90 0.00 -0.07 0.57 0.02 -1.02 -2.64 113.55 111.31 1gqo h SER 89 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1gqo h SER 89 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1gqo h SER 89 CO -0.07 0.06 0.00 -1.54 -1.14 0.00 0.00 176.83 174.14 1gqo n SER 90 N -3.31 1.53 -4.57 3.07 3.41 -0.63 -4.88 113.62 108.23 1gqo n SER 90 Ca -0.01 -1.57 -0.25 0.00 -0.26 0.00 0.00 58.87 56.78 1gqo n SER 90 Cb 0.24 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.92 2.49 -0.89 -1.33 -4.36 -1.00 -5.04 121.20 109.16 1gqo s ILE 91 Ca 0.36 -2.13 0.22 0.00 -0.26 0.00 0.00 60.65 58.85 1gqo s ILE 91 Cb 0.20 -2.67 -0.17 0.00 1.25 0.00 0.00 42.46 41.07 1gqo s ILE 91 CO 0.31 -0.24 1.01 -1.54 0.24 0.00 0.00 174.94 174.72 1gqo n SER 92 N -0.84 0.78 -4.79 4.36 3.41 -1.26 -4.94 113.62 110.34 1gqo n SER 92 Ca -0.05 -0.67 -0.35 0.00 -0.26 0.00 0.00 58.87 57.55 1gqo n SER 92 Cb 0.62 0.86 -0.03 0.00 -0.26 0.00 0.00 64.21 65.40 1gqo n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqo s LEU 93 N -3.21 3.91 0.10 1.04 1.43 -1.26 -5.01 118.68 115.67 1gqo s LEU 93 Ca 0.07 1.97 -0.31 0.00 -1.03 0.00 0.00 54.13 54.84 1gqo s LEU 93 Cb 0.16 -4.47 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 1gqo s LEU 93 CO 0.82 -0.74 1.33 -2.16 0.23 0.00 0.00 176.35 175.83 1gqo s PRO 94 N -3.06 4.36 -0.09 1.29 0.04 -1.26 -4.91 135.00 131.37 1gqo s PRO 94 Ca 0.65 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.71 1gqo s PRO 94 Cb -0.18 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 1gqo s PRO 94 CO 0.22 -0.38 -0.23 0.08 0.04 0.00 0.00 177.00 176.73 1gqo s VAL 95 N 1.10 2.22 -0.14 -0.36 1.01 -1.26 -1.60 120.40 121.37 1gqo s VAL 95 Ca 0.63 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1gqo s VAL 95 Cb -0.34 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1gqo s VAL 95 CO 0.30 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 175.14 1gqo s VAL 96 N 0.10 3.00 -0.01 2.92 1.01 -0.73 -0.99 120.40 125.71 1gqo s VAL 96 Ca -0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1gqo s VAL 96 Cb -0.16 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 1gqo s VAL 96 CO 0.06 0.52 0.43 -0.70 0.00 0.00 0.00 175.10 175.42 1gqo s GLU 97 N 0.45 4.01 -0.02 2.72 2.12 -0.41 -1.28 118.70 126.29 1gqo s GLU 97 Ca -0.10 0.45 0.01 0.00 0.36 0.00 0.00 54.97 55.70 1gqo s GLU 97 Cb -0.16 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1gqo s GLU 97 CO 0.05 0.61 -0.04 0.08 -0.54 0.00 0.00 175.26 175.42 1gqo s VAL 98 N -0.85 0.38 -0.01 3.70 1.01 -0.11 -1.58 120.40 122.94 1gqo s VAL 98 Ca 0.24 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1gqo s VAL 98 Cb -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1gqo s VAL 98 CO 0.14 0.14 -0.05 -1.00 0.00 0.00 0.00 175.10 174.33 1gqo s HIS 99 N 0.31 0.46 -0.06 5.22 3.76 -0.85 -4.09 115.29 120.04 1gqo s HIS 99 Ca -0.03 -0.09 -0.25 0.00 -0.15 0.00 0.00 55.06 54.54 1gqo s HIS 99 Cb -0.07 -0.33 -0.24 0.00 1.11 0.00 0.00 32.58 33.05 1gqo s HIS 99 CO -0.00 -0.03 1.00 -0.07 -0.85 0.00 0.00 174.74 174.79 1gqo h LEU 100 N 6.20 0.20-10.47 0.89 4.07 -1.88 -3.00 115.31 111.33 1gqo h LEU 100 Ca -0.30 -0.80 -0.49 0.00 0.08 0.00 0.00 57.88 56.38 1gqo h LEU 100 Cb 1.18 -0.06 0.09 0.00 1.08 0.00 0.00 40.66 42.96 1gqo h LEU 100 CO 0.50 0.97 0.39 -0.94 -1.08 0.00 0.00 178.44 178.27 1gqo s SER 101 N -6.30 5.00 -0.92 -0.43 1.04 -1.26 -1.99 113.70 108.85 1gqo s SER 101 Ca -0.16 1.16 -0.21 0.00 0.48 0.00 0.00 55.95 57.22 1gqo s SER 101 Cb 0.00 -1.90 0.09 0.00 0.10 0.00 0.00 66.02 64.32 1gqo s SER 101 CO 0.74 -1.63 1.21 0.21 0.98 0.00 0.00 173.24 174.75 1gqo s ASN 102 N -4.22 6.51 0.38 7.02 3.84 -1.26 -2.32 114.94 124.89 1gqo s ASN 102 Ca 0.59 -1.66 0.07 0.00 0.21 0.00 0.00 52.86 52.07 1gqo s ASN 102 Cb -0.12 -2.46 0.80 0.00 -0.55 0.00 0.00 41.25 38.91 1gqo s ASN 102 CO 0.52 -1.28 1.98 -0.07 -2.79 0.00 0.00 177.10 175.46 1gqo h LEU 103 N 11.38 0.60 -2.35 3.21 3.38 -1.92 -2.47 115.31 127.13 1gqo h LEU 103 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1gqo h LEU 103 Cb 1.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gqo h LEU 103 CO 1.22 0.39 0.00 1.88 0.09 0.00 0.00 178.44 182.02 1gqo h TYR 104 N 0.68 0.00 -0.02 1.13 -1.99 -1.89 -0.26 116.97 114.63 1gqo h TYR 104 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1gqo h TYR 104 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1gqo h TYR 104 CO -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 178.16 177.86 1gqo n ALA 105 N -2.01 3.16 -2.33 3.88 0.00 -0.93 -4.95 120.51 117.33 1gqo n ALA 105 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1gqo n ALA 105 Cb 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.15 3.88 -1.65 0.00 1.74 -0.11 -5.08 116.66 115.59 1gqo n ARG 106 Ca 0.12 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.83 1gqo n ARG 106 Cb 0.46 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.97 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 0.96 0.18 5.56 4.71 -1.26 -4.91 120.64 125.88 1gqo n GLU 107 Ca 0.00 0.38 0.04 0.00 -0.01 0.00 0.00 57.16 57.57 1gqo n GLU 107 Cb 0.00 -2.38 0.44 0.00 -1.01 0.00 0.00 31.44 28.49 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 0.39 0.09 0.00 3.49 4.81 -1.96 -0.17 114.58 121.24 1gqo h GLU 108 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1gqo h GLU 108 Cb 1.35 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1gqo h GLU 108 CO 0.51 0.27 0.00 0.27 -0.73 0.00 0.00 179.01 179.34 1gqo h PHE 109 N 0.08 0.00 -0.17 0.92 -5.15 -1.97 -2.21 116.94 108.44 1gqo h PHE 109 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 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 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 1gqo n ARG 110 N -2.90 1.70 -0.06 6.09 1.74 -0.07 -3.99 116.66 119.16 1gqo n ARG 110 Ca -0.00 -1.05 0.12 0.00 -0.77 0.00 0.00 57.85 56.15 1gqo n ARG 110 Cb 0.20 -1.38 0.34 0.00 -1.02 0.00 0.00 32.46 30.61 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 0.28 0.16 -4.39 -1.55 8.25 -0.83 -4.72 115.22 112.42 1gqo n HIS 111 Ca 0.16 -0.08 -0.19 0.00 -0.26 0.00 0.00 57.72 57.34 1gqo n HIS 111 Cb 0.31 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.84 0.82 -0.19 -0.41 0.00 -1.26 -5.02 119.66 111.77 1gqo s GLN 112 Ca 0.34 -0.45 -0.06 0.00 -0.00 0.00 0.00 55.36 55.19 1gqo s GLN 112 Cb 0.20 -0.79 -0.03 0.00 0.00 0.00 0.00 33.01 32.39 1gqo s GLN 112 CO 0.30 0.21 0.03 0.45 0.00 0.00 0.00 175.29 176.28 1gqo s SER 113 N -0.48 5.24 0.00 12.60 0.15 -1.26 -4.13 113.70 125.83 1gqo s SER 113 Ca 0.03 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.88 1gqo s SER 113 Cb -0.05 -1.89 0.65 0.00 -1.71 0.00 0.00 66.02 63.01 1gqo s SER 113 CO -0.00 0.13 1.51 1.33 1.20 0.00 0.00 173.24 177.40 1gqo n VAL 114 N 3.85 0.00 -0.02 4.45 0.24 0.11 -3.90 118.33 123.05 1gqo n VAL 114 Ca -0.17 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 61.97 1gqo n VAL 114 Cb 0.52 0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.40 1.66 -0.24 1.34 5.41 -1.26 -4.57 119.36 120.32 1gqo n ILE 115 Ca 0.07 -0.72 0.09 0.00 1.00 0.00 0.00 62.75 63.18 1gqo n ILE 115 Cb 0.33 -1.34 0.35 0.00 -0.71 0.00 0.00 39.64 38.28 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 0.50 1.75 -0.24 -1.39 0.00 -1.91 -2.26 119.26 115.71 1gqo h ALA 116 Ca -0.39 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1gqo h ALA 116 Cb 2.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1gqo h ALA 116 CO 0.07 0.08 0.31 -1.35 0.00 0.00 0.00 179.25 178.35 1gqo h PRO 117 N 0.75 0.00 -0.01 0.00 0.11 -1.80 -2.39 132.00 128.66 1gqo h PRO 117 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1gqo h PRO 117 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1gqo h PRO 117 CO -0.15 0.00 -0.29 1.33 -0.21 0.00 0.00 178.00 178.68 1gqo n VAL 118 N -3.60 0.00 -2.21 3.15 0.24 -0.86 -4.99 118.33 110.06 1gqo n VAL 118 Ca 0.03 -0.36 -0.26 0.00 -2.04 0.00 0.00 64.34 61.71 1gqo n VAL 118 Cb 0.44 1.11 0.10 0.00 -1.47 0.00 0.00 33.84 34.02 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 -1.59 3.07 0.17 2.33 0.00 -0.90 -4.79 121.76 120.06 1gqo s ALA 119 Ca 0.09 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.84 1gqo s ALA 119 Cb 0.09 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.73 1gqo s ALA 119 CO 0.32 -1.55 1.64 0.87 0.00 0.00 0.00 175.76 177.04 1gqo h LYS 120 N -0.79 1.03 0.00 0.00 1.79 -1.34 -3.49 116.57 113.78 1gqo h LYS 120 Ca -0.43 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 57.72 1gqo h LYS 120 Cb 1.29 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1gqo h LYS 120 CO 0.53 1.01 0.00 0.41 -1.08 0.00 0.00 179.45 180.31 1gqo n GLY 121 N -0.44 -1.08 3.20 3.86 0.00 -1.25 -5.07 105.19 104.42 1gqo n GLY 121 Ca 0.03 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.54 0.59 -0.13 1.61 0.74 -1.26 -1.29 119.66 119.38 1gqo s GLN 122 Ca 0.00 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.26 1gqo s GLN 122 Cb 0.00 0.26 0.02 0.00 1.10 0.00 0.00 33.01 34.39 1gqo s GLN 122 CO 0.00 -0.15 -0.16 0.42 -0.55 0.00 0.00 175.29 174.85 1gqo s ILE 123 N -1.16 1.63 -0.02 -2.34 1.01 -0.62 -4.96 121.20 114.74 1gqo s ILE 123 Ca -0.12 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.86 1gqo s ILE 123 Cb -0.05 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1gqo s ILE 123 CO 0.03 0.47 -0.13 -0.69 0.00 0.00 0.00 174.94 174.62 1gqo s VAL 124 N 1.13 1.02 0.00 2.92 1.01 -1.26 -2.01 120.40 123.22 1gqo s VAL 124 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1gqo s VAL 124 Cb -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1gqo s VAL 124 CO -0.05 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1gqo n GLY 125 N 2.89 1.06 1.25 4.51 0.00 -0.98 -4.87 105.19 109.05 1gqo n GLY 125 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 3.64 0.00 0.99 4.77 -1.21 -4.56 117.00 120.63 1gqo n LEU 126 Ca 0.00 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 1gqo n LEU 126 Cb 0.00 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1gqo n LEU 126 CO 0.00 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1gqo n GLY 127 N 0.70 -0.70 0.34 -0.72 0.00 -0.84 -3.17 105.19 100.80 1gqo n GLY 127 Ca 0.18 -1.00 0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.90 1.46 -0.13 4.61 0.00 -1.89 0.33 119.26 122.74 1gqo h ALA 128 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1gqo h ALA 128 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 128 CO 0.00 -0.32 0.19 1.49 0.00 0.00 0.00 179.25 180.62 1gqo h GLU 129 N 0.00 0.00 -1.00 0.00 4.57 -1.98 -2.39 114.58 113.78 1gqo h GLU 129 Ca 0.04 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1gqo h GLU 129 Cb 0.59 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.09 1gqo h GLU 129 CO -0.00 0.00 0.63 0.78 -1.18 0.00 0.00 179.01 179.24 1gqo h GLY 130 N 0.00 1.69 1.00 1.92 0.00 -0.94 -0.83 103.07 105.91 1gqo h GLY 130 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1gqo h GLY 130 CO -0.00 0.08 0.15 -0.97 0.00 0.00 0.00 176.54 175.81 1gqo h TYR 131 N 0.92 0.29 -0.55 5.60 -1.99 -1.64 -0.75 116.97 118.86 1gqo h TYR 131 Ca 0.53 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 61.15 1gqo h TYR 131 Cb 0.63 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 1gqo h TYR 131 CO -0.00 0.18 -0.10 0.87 -0.00 0.00 0.00 178.16 179.11 1gqo h LYS 132 N 0.31 1.02 -0.56 4.88 1.57 -1.48 0.30 116.57 122.62 1gqo h LYS 132 Ca 0.09 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1gqo h LYS 132 Cb -0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1gqo h LYS 132 CO -0.02 1.06 0.22 -0.07 -0.57 0.00 0.00 179.45 180.07 1gqo h LEU 133 N 0.91 0.78 -0.90 2.94 3.38 -1.07 -0.01 115.31 121.34 1gqo h LEU 133 Ca 0.14 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1gqo h LEU 133 Cb 0.67 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1gqo h LEU 133 CO 0.05 0.74 -0.15 0.00 0.09 0.00 0.00 178.44 179.17 1gqo h ALA 134 N 1.07 1.07 -0.69 1.53 0.00 -0.80 -0.77 119.26 120.67 1gqo h ALA 134 Ca 0.19 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1gqo h ALA 134 Cb 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1gqo h ALA 134 CO -0.01 0.57 0.22 0.28 0.00 0.00 0.00 179.25 180.30 1gqo h VAL 135 N 0.58 1.25 -0.56 0.00 2.07 -0.31 -1.76 116.25 117.52 1gqo h VAL 135 Ca 0.10 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 1gqo h VAL 135 Cb 0.59 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1gqo h VAL 135 CO 0.04 0.34 0.06 0.03 0.02 0.00 0.00 177.57 178.05 1gqo h ARG 136 N 1.02 0.96 -0.32 1.57 3.08 -0.32 -1.37 114.38 119.00 1gqo h ARG 136 Ca 0.23 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1gqo h ARG 136 Cb 0.28 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1gqo h ARG 136 CO -0.01 0.93 0.13 -0.92 -1.07 0.00 0.00 179.97 179.03 1gqo h TYR 137 N 0.84 0.24 -0.55 3.04 3.20 -0.61 0.16 116.97 123.29 1gqo h TYR 137 Ca 0.17 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1gqo h TYR 137 Cb 0.46 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1gqo h TYR 137 CO 0.03 0.12 0.36 -0.07 -1.64 0.00 0.00 178.16 176.96 1gqo h LEU 138 N 0.28 0.56 -0.54 2.82 4.07 -1.12 0.39 115.31 121.77 1gqo h LEU 138 Ca 0.14 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 1gqo h LEU 138 Cb 0.09 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1gqo h LEU 138 CO -0.12 0.39 -0.67 -0.07 -1.08 0.00 0.00 178.44 176.88 1gqo h LEU 139 N 0.65 0.30 -0.21 1.67 3.38 -0.10 -1.57 115.31 119.43 1gqo h LEU 139 Ca 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gqo h LEU 139 Cb 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1gqo h LEU 139 CO -0.06 0.89 0.00 -1.54 0.09 0.00 0.00 178.44 177.82 1gqo n SER 140 N -3.83 0.51 -0.38 -0.43 3.41 -0.00 -5.11 113.62 107.79 1gqo n SER 140 Ca -0.03 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 1gqo n SER 140 Cb 0.67 -0.71 0.61 0.00 -0.26 0.00 0.00 64.21 64.52 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88