#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 1.25 0.13 0.54 2.46 -1.26 -1.44 115.29 116.98 1gqo s HIS 2 Ca 0.00 -0.54 0.07 0.00 0.47 0.00 0.00 55.06 55.06 1gqo s HIS 2 Cb 0.00 -1.06 -0.04 0.00 -0.13 0.00 0.00 32.58 31.35 1gqo s HIS 2 CO 0.00 -0.40 -0.05 -0.06 -2.47 0.00 0.00 174.74 171.76 1gqo s PHE 3 N 1.46 2.80 -0.19 3.88 2.99 -0.37 -1.58 117.98 126.97 1gqo s PHE 3 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 56.93 56.71 1gqo s PHE 3 Cb -0.13 -1.42 -0.04 0.00 0.00 0.00 0.00 43.02 41.43 1gqo s PHE 3 CO -0.04 0.48 0.06 -1.17 -0.00 0.00 0.00 175.22 174.54 1gqo s LEU 4 N -2.53 3.77 -0.44 -0.37 0.20 -0.87 -1.42 118.68 117.02 1gqo s LEU 4 Ca 0.24 0.05 -0.10 0.00 0.69 0.00 0.00 54.13 55.01 1gqo s LEU 4 Cb -0.10 -1.96 0.09 0.00 -0.43 0.00 0.00 46.19 43.79 1gqo s LEU 4 CO 0.16 0.15 0.30 -0.63 -0.29 0.00 0.00 176.35 176.04 1gqo s ILE 5 N 0.52 4.35 -0.22 6.68 -1.09 -0.15 -1.09 121.20 130.19 1gqo s ILE 5 Ca 0.03 -1.46 -0.05 0.00 -2.23 0.00 0.00 60.65 56.94 1gqo s ILE 5 Cb -0.13 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1gqo s ILE 5 CO 0.01 -0.59 -0.00 -0.22 -1.23 0.00 0.00 174.94 172.91 1gqo s LEU 6 N 1.44 3.13 -0.10 2.97 0.20 0.32 -1.90 118.68 124.74 1gqo s LEU 6 Ca 0.04 -0.30 0.04 0.00 0.69 0.00 0.00 54.13 54.60 1gqo s LEU 6 Cb -0.24 -1.81 -0.01 0.00 -0.43 0.00 0.00 46.19 43.70 1gqo s LEU 6 CO 0.02 -0.01 -0.22 0.20 -0.29 0.00 0.00 176.35 176.05 1gqo s ASN 7 N 1.41 3.27 0.18 3.68 0.01 -0.42 -1.36 114.94 121.71 1gqo s ASN 7 Ca 0.05 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.70 1gqo s ASN 7 Cb -0.15 -1.33 0.00 0.00 0.41 0.00 0.00 41.25 40.19 1gqo s ASN 7 CO -0.00 0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1gqo n GLY 8 N 3.39 0.41 3.77 0.66 0.00 0.15 -1.57 105.19 112.00 1gqo n GLY 8 Ca -0.19 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 0.05 4.14 0.00 1.61 0.04 -0.94 -2.70 135.00 137.21 1gqo s PRO 9 Ca 0.00 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1gqo s PRO 9 Cb 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1gqo s PRO 9 CO 0.00 -0.54 0.00 0.09 0.04 0.00 0.00 177.00 176.59 1gqo n ASN 10 N 1.25 0.00 0.18 6.66 3.02 -1.26 -4.48 115.26 120.62 1gqo n ASN 10 Ca 0.04 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.61 1gqo n ASN 10 Cb 0.39 -0.76 0.35 0.00 -0.61 0.00 0.00 39.78 39.15 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 1.26 0.00 2.41 2.07 -1.89 -1.56 116.25 118.55 1gqo h VAL 11 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1gqo h VAL 11 Cb 0.00 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1gqo h VAL 11 CO 0.00 0.38 0.00 -0.55 0.02 0.00 0.00 177.57 177.42 1gqo h ASN 12 N 0.00 0.00 0.04 0.57 -1.07 -1.89 -2.50 115.58 110.72 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 0.69 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.94 1gqo h ASN 12 CO 0.05 0.00 -0.06 0.54 0.07 0.00 0.00 177.43 178.03 1gqo n ARG 13 N -2.91 1.54 -1.46 4.14 5.12 -0.59 -4.67 116.66 117.84 1gqo n ARG 13 Ca -0.02 -0.95 -0.41 0.00 -1.93 0.00 0.00 57.85 54.54 1gqo n ARG 13 Cb 0.13 -1.48 0.01 0.00 -1.16 0.00 0.00 32.46 29.96 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 0.10 0.15 0.00 0.55 4.32 -0.94 -2.87 117.00 118.30 1gqo n LEU 14 Ca 0.17 0.90 0.00 0.00 -0.02 0.00 0.00 56.01 57.06 1gqo n LEU 14 Cb 0.38 -1.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 1gqo n LEU 14 CO 0.19 -2.83 0.00 0.61 -1.22 0.00 0.00 177.39 174.14 1gqo n GLY 15 N 1.76 2.95 0.00 -0.72 0.00 -1.15 -4.13 105.19 103.90 1gqo n GLY 15 Ca 0.11 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 1.84 0.00 -3.47 1.61 3.41 -1.14 -4.77 113.62 111.11 1gqo n SER 16 Ca 0.00 0.47 -0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1gqo n SER 16 Cb 0.00 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 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 -2.95 1.08 -0.63 4.33 1.70 -1.26 -5.04 118.95 116.19 1gqo s ARG 17 Ca 0.00 -0.28 -0.04 0.00 -0.47 0.00 0.00 55.73 54.93 1gqo s ARG 17 Cb 0.00 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1gqo s ARG 17 CO 0.00 -0.45 0.43 -0.85 -1.08 0.00 0.00 175.30 173.35 1gqo n GLU 18 N -0.09 -0.97 0.29 3.89 0.28 -1.26 -4.66 120.64 118.12 1gqo n GLU 18 Ca -0.15 0.40 0.19 0.00 -0.16 0.00 0.00 57.16 57.44 1gqo n GLU 18 Cb 0.63 -1.52 0.98 0.00 1.43 0.00 0.00 31.44 32.96 1gqo n GLU 18 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1gqo h PRO 19 N -0.09 0.00 0.00 3.44 0.13 -1.89 0.50 132.00 134.09 1gqo h PRO 19 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1gqo h PRO 19 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1gqo h PRO 19 CO 0.28 0.00 -0.35 0.93 -0.23 0.00 0.00 178.00 178.62 1gqo h GLU 20 N 0.00 0.00 0.00 0.86 3.07 -1.88 -0.62 114.58 116.01 1gqo h GLU 20 Ca 0.03 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.67 1gqo h GLU 20 Cb 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1gqo h GLU 20 CO -0.00 0.35 -1.28 0.28 -1.40 0.00 0.00 179.01 176.97 1gqo n VAL 21 N -3.40 1.51 0.53 3.13 0.31 0.16 -4.76 118.33 115.82 1gqo n VAL 21 Ca 0.00 -0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.37 1gqo n VAL 21 Cb 0.54 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 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 -4.44 0.00 0.00 3.52 3.01 -0.54 -4.30 117.46 114.71 1gqo n PHE 22 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.16 1gqo n PHE 22 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 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 1.12 0.36 0.01 1.37 0.00 -0.24 -4.73 105.19 103.07 1gqo n GLY 23 Ca 0.04 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.32 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 0.64 0.21 -2.21 1.61 5.12 -1.26 -4.05 116.66 116.71 1gqo n ARG 24 Ca 0.00 -0.05 -0.40 0.00 -1.93 0.00 0.00 57.85 55.46 1gqo n ARG 24 Cb 0.00 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 29.76 1gqo n ARG 24 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1gqo s GLN 25 N -3.16 4.38 0.69 5.56 -0.21 -1.26 -4.58 119.66 121.08 1gqo s GLN 25 Ca 0.03 2.09 -0.05 0.00 0.02 0.00 0.00 55.36 57.45 1gqo s GLN 25 Cb 0.15 -3.05 0.07 0.00 1.00 0.00 0.00 33.01 31.18 1gqo s GLN 25 CO 0.87 -0.12 0.99 0.95 -2.12 0.00 0.00 175.29 175.86 1gqo s THR 26 N -1.17 2.32 0.24 -0.19 -4.23 -1.26 -2.93 115.64 108.41 1gqo s THR 26 Ca 0.49 -0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1gqo s THR 26 Cb -0.37 -2.97 0.22 0.00 1.34 0.00 0.00 72.50 70.72 1gqo s THR 26 CO 0.49 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.73 1gqo h LEU 27 N -0.53 1.04 -0.69 4.79 5.85 -1.82 -2.21 115.31 121.74 1gqo h LEU 27 Ca -0.44 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1gqo h LEU 27 Cb 1.31 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1gqo h LEU 27 CO 0.57 0.75 0.44 0.74 -0.34 0.00 0.00 178.44 180.60 1gqo h THR 28 N 1.23 1.11 -0.03 1.05 2.02 -1.93 0.26 112.91 116.62 1gqo h THR 28 Ca 0.34 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1gqo h THR 28 Cb -0.13 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 1gqo h THR 28 CO -0.08 0.16 -0.12 0.44 0.37 0.00 0.00 175.52 176.29 1gqo h ASP 29 N 0.87 -0.34 -0.65 4.18 5.19 -1.79 -0.92 116.42 122.96 1gqo h ASP 29 Ca 0.27 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.69 1gqo h ASP 29 Cb -0.01 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 1gqo h ASP 29 CO -0.10 -0.16 0.24 0.40 -3.12 0.00 0.00 179.24 176.50 1gqo h ILE 30 N -0.18 1.24 -0.46 0.35 2.04 -1.14 -1.93 117.51 117.42 1gqo h ILE 30 Ca 0.05 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1gqo h ILE 30 Cb 0.25 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1gqo h ILE 30 CO -0.14 0.31 0.20 -0.33 0.00 0.00 0.00 178.15 178.20 1gqo h GLU 31 N 0.98 0.68 -0.37 2.37 5.08 -0.31 -0.63 114.58 122.38 1gqo h GLU 31 Ca 0.22 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1gqo h GLU 31 Cb 0.23 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1gqo h GLU 31 CO -0.01 0.59 0.21 1.15 -1.00 0.00 0.00 179.01 179.95 1gqo h THR 32 N 0.60 1.03 -0.76 1.13 2.02 -0.91 -1.22 112.91 114.80 1gqo h THR 32 Ca 0.16 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1gqo h THR 32 Cb 0.15 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1gqo h THR 32 CO -0.02 0.08 0.47 0.44 0.37 0.00 0.00 175.52 176.86 1gqo h ASP 33 N 0.42 0.90 0.42 4.18 5.19 -1.12 -2.48 116.42 123.92 1gqo h ASP 33 Ca 0.15 -0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.40 1gqo h ASP 33 Cb 0.02 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1gqo h ASP 33 CO -0.08 0.69 -0.46 -0.07 -3.12 0.00 0.00 179.24 176.20 1gqo h LEU 34 N 1.03 0.06 -1.00 1.55 3.38 -0.83 0.51 115.31 120.02 1gqo h LEU 34 Ca 0.27 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 1gqo h LEU 34 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1gqo h LEU 34 CO -0.05 0.52 -0.47 -0.26 0.09 0.00 0.00 178.44 178.26 1gqo h PHE 35 N 0.05 0.07 -0.00 1.13 0.05 -0.79 0.39 116.94 117.84 1gqo h PHE 35 Ca 0.00 -0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.77 1gqo h PHE 35 Cb 0.84 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.77 1gqo h PHE 35 CO 0.00 0.52 -0.01 1.96 -0.18 0.00 0.00 178.31 180.61 1gqo h GLN 36 N 0.05 0.01 -0.27 1.51 4.20 -1.09 -1.88 115.11 117.63 1gqo h GLN 36 Ca 0.00 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.77 1gqo h GLN 36 Cb 0.85 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 1gqo h GLN 36 CO 0.06 0.59 -0.22 0.35 -0.67 0.00 0.00 178.83 178.94 1gqo h PHE 37 N -0.57 -0.59 -0.55 2.96 3.57 0.35 -1.82 116.94 120.30 1gqo h PHE 37 Ca 0.00 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1gqo h PHE 37 Cb 0.59 0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1gqo h PHE 37 CO 0.13 -0.30 0.27 0.00 -2.23 0.00 0.00 178.31 176.18 1gqo h ALA 38 N 0.89 0.71 -0.50 2.41 0.00 -0.12 -2.52 119.26 120.13 1gqo h ALA 38 Ca 0.15 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 38 Cb 0.44 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1gqo h ALA 38 CO -0.40 -0.09 -0.11 0.93 0.00 0.00 0.00 179.25 179.58 1gqo h GLU 39 N 0.51 0.96 0.00 0.00 3.07 -0.75 -0.77 114.58 117.61 1gqo h GLU 39 Ca 0.25 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1gqo h GLU 39 Cb 0.18 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1gqo h GLU 39 CO -0.18 1.03 0.03 0.00 -1.40 0.00 0.00 179.01 178.49 1gqo h ALA 40 N 0.90 1.02 -0.11 3.43 0.00 -0.93 -0.06 119.26 123.52 1gqo h ALA 40 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1gqo h ALA 40 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gqo h ALA 40 CO 0.05 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1gqo n LEU 41 N -2.29 2.23 -2.78 0.00 4.77 -0.76 -4.97 117.00 113.20 1gqo n LEU 41 Ca -0.01 -1.27 -0.16 0.00 -0.03 0.00 0.00 56.01 54.53 1gqo n LEU 41 Cb 0.07 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1gqo n LEU 41 CO 0.10 0.47 0.15 1.41 -1.33 0.00 0.00 177.39 178.19 1gqo n HIS 42 N 0.62 -1.96 -4.31 -1.77 8.25 -0.04 -5.03 115.22 110.99 1gqo n HIS 42 Ca 0.08 0.73 -0.18 0.00 -0.26 0.00 0.00 57.72 58.09 1gqo n HIS 42 Cb 0.33 -4.07 -0.09 0.00 1.12 0.00 0.00 29.99 27.27 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 -3.24 0.27 0.06 1.59 -4.36 -0.37 -4.54 121.20 110.62 1gqo s ILE 43 Ca 0.29 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.78 1gqo s ILE 43 Cb -0.13 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 1gqo s ILE 43 CO 0.54 0.00 -0.26 -1.10 0.24 0.00 0.00 174.94 174.36 1gqo s GLN 44 N -3.85 1.69 0.00 0.37 -0.21 -0.52 -4.38 119.66 112.76 1gqo s GLN 44 Ca 0.37 -1.14 0.04 0.00 0.02 0.00 0.00 55.36 54.65 1gqo s GLN 44 Cb 0.05 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.13 1gqo s GLN 44 CO 0.17 0.49 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.19 1gqo s LEU 45 N -1.38 2.06 -0.05 2.90 1.43 -1.26 -1.24 118.68 121.13 1gqo s LEU 45 Ca 0.12 -0.29 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 1gqo s LEU 45 Cb -0.10 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 1gqo s LEU 45 CO 0.03 0.13 -0.25 -0.89 0.23 0.00 0.00 176.35 175.60 1gqo s THR 46 N -0.44 2.03 -0.08 5.49 2.01 -0.51 -4.97 115.64 119.18 1gqo s THR 46 Ca 0.04 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 1gqo s THR 46 Cb -0.06 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1gqo s THR 46 CO -0.00 0.57 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.12 1gqo s PHE 47 N -0.22 3.10 -0.12 4.92 0.40 -1.26 -0.98 117.98 123.83 1gqo s PHE 47 Ca -0.02 0.14 -0.09 0.00 -0.60 0.00 0.00 56.93 56.36 1gqo s PHE 47 Cb -0.13 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1gqo s PHE 47 CO 0.03 0.42 0.30 0.12 0.70 0.00 0.00 175.22 176.79 1gqo s PHE 48 N -0.84 -0.36 -0.03 0.36 5.36 -0.80 -4.97 117.98 116.71 1gqo s PHE 48 Ca 0.13 0.85 0.03 0.00 -0.96 0.00 0.00 56.93 56.98 1gqo s PHE 48 Cb -0.11 0.12 -0.00 0.00 -0.34 0.00 0.00 43.02 42.68 1gqo s PHE 48 CO 0.02 -0.19 -0.13 -1.14 -1.46 0.00 0.00 175.22 172.32 1gqo s GLN 49 N 0.50 1.23 0.03 10.12 -0.44 -1.26 -1.30 119.66 128.54 1gqo s GLN 49 Ca -0.03 -0.44 -0.17 0.00 -2.50 0.00 0.00 55.36 52.22 1gqo s GLN 49 Cb -0.04 -1.13 0.03 0.00 -1.64 0.00 0.00 33.01 30.23 1gqo s GLN 49 CO -0.03 0.20 0.37 0.45 0.50 0.00 0.00 175.29 176.79 1gqo s SER 50 N -0.00 -0.24 0.00 6.67 0.15 -0.61 -5.00 113.70 114.68 1gqo s SER 50 Ca -0.01 0.00 0.28 0.00 0.70 0.00 0.00 55.95 56.92 1gqo s SER 50 Cb -0.08 0.39 1.05 0.00 -1.71 0.00 0.00 66.02 65.66 1gqo s SER 50 CO 0.01 -0.60 1.74 0.59 1.20 0.00 0.00 173.24 176.18 1gqo n ASN 51 N 0.71 1.48 -4.50 5.45 3.02 -1.26 -2.20 115.26 117.96 1gqo n ASN 51 Ca -0.19 -1.48 -0.37 0.00 -0.03 0.00 0.00 54.58 52.51 1gqo n ASN 51 Cb 0.59 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.01 3.13 0.20 3.10 3.76 -1.26 -4.69 115.29 117.52 1gqo s HIS 52 Ca 0.38 -0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 54.93 1gqo s HIS 52 Cb 0.21 -2.26 0.25 0.00 1.11 0.00 0.00 32.58 31.89 1gqo s HIS 52 CO 0.34 -0.27 1.71 1.49 -0.85 0.00 0.00 174.74 177.17 1gqo h GLU 53 N 8.13 0.26 -0.67 1.40 4.81 -2.01 -2.04 114.58 124.47 1gqo h GLU 53 Ca -0.37 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.95 1gqo h GLU 53 Cb 1.18 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1gqo h GLU 53 CO 0.58 0.17 0.44 0.78 -0.73 0.00 0.00 179.01 180.26 1gqo h GLY 54 N 0.27 0.70 1.08 1.92 0.00 -1.99 -2.29 103.07 102.75 1gqo h GLY 54 Ca 0.29 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1gqo h GLY 54 CO -0.36 0.11 -0.08 -0.55 0.00 0.00 0.00 176.54 175.66 1gqo h ASP 55 N 0.49 1.00 -0.35 0.19 3.32 -1.79 -1.21 116.42 118.07 1gqo h ASP 55 Ca 0.31 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1gqo h ASP 55 Cb 0.56 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1gqo h ASP 55 CO -0.10 1.11 0.10 -0.07 -1.72 0.00 0.00 179.24 178.56 1gqo h LEU 56 N 0.88 0.51 0.27 1.55 3.38 -1.39 -1.44 115.31 119.07 1gqo h LEU 56 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1gqo h LEU 56 Cb 0.64 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1gqo h LEU 56 CO 0.04 0.59 -0.20 0.40 0.09 0.00 0.00 178.44 179.37 1gqo h ILE 57 N 0.41 0.58 -0.56 1.22 2.04 -1.27 -0.05 117.51 119.88 1gqo h ILE 57 Ca 0.11 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1gqo h ILE 57 Cb 0.27 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1gqo h ILE 57 CO -0.00 0.00 0.15 0.44 0.00 0.00 0.00 178.15 178.74 1gqo h ASP 58 N -0.47 0.09 -0.66 1.72 3.32 -1.12 -1.28 116.42 118.02 1gqo h ASP 58 Ca -0.02 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1gqo h ASP 58 Cb 0.41 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1gqo h ASP 58 CO -0.00 0.06 0.23 0.00 -1.72 0.00 0.00 179.24 177.81 1gqo h ALA 59 N 1.42 0.86 -0.34 3.45 0.00 -1.20 -2.20 119.26 121.25 1gqo h ALA 59 Ca 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1gqo h ALA 59 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1gqo h ALA 59 CO -0.34 0.52 0.18 0.82 0.00 0.00 0.00 179.25 180.43 1gqo h ILE 60 N 0.95 1.14 0.06 0.00 2.04 -0.00 -0.87 117.51 120.83 1gqo h ILE 60 Ca 0.22 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1gqo h ILE 60 Cb 0.26 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1gqo h ILE 60 CO -0.01 0.15 -0.25 0.45 0.00 0.00 0.00 178.15 178.49 1gqo h HIS 61 N 0.43 -0.67 0.00 1.37 3.86 -1.15 -2.52 115.15 116.48 1gqo h HIS 61 Ca 0.12 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1gqo h HIS 61 Cb 0.07 0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 1gqo h HIS 61 CO -0.03 -0.35 -0.13 0.93 0.86 0.00 0.00 177.93 179.22 1gqo h GLU 62 N -0.42 0.00 -0.67 2.45 5.08 -1.25 -3.23 114.58 116.54 1gqo h GLU 62 Ca 0.05 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1gqo h GLU 62 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1gqo h GLU 62 CO -0.18 0.13 0.44 0.00 -1.00 0.00 0.00 179.01 178.40 1gqo h ALA 63 N 1.87 1.52 -1.09 3.43 0.00 -0.69 -3.12 119.26 121.18 1gqo h ALA 63 Ca -0.00 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.15 1gqo h ALA 63 Cb 0.51 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1gqo h ALA 63 CO 0.02 0.45 0.71 1.49 0.00 0.00 0.00 179.25 181.91 1gqo h GLU 64 N 0.91 0.30 -0.24 0.00 4.57 -1.66 0.45 114.58 118.91 1gqo h GLU 64 Ca 0.24 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1gqo h GLU 64 Cb -0.10 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1gqo h GLU 64 CO -0.05 0.20 0.00 0.39 -1.18 0.00 0.00 179.01 178.37 1gqo n GLU 65 N -4.58 2.19 0.00 1.92 1.02 -1.18 -4.57 120.64 115.44 1gqo n GLU 65 Ca 0.27 -1.78 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 1gqo n GLU 65 Cb 0.98 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 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 1.02 2.45 -4.56 3.49 7.27 -0.32 -5.13 117.38 121.60 1gqo n GLN 66 Ca 0.17 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.98 1gqo n GLN 66 Cb 0.50 -0.56 -0.11 0.00 2.41 0.00 0.00 30.24 32.49 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 2.37 -0.75 3.69 1.51 -0.00 -4.92 117.35 118.50 1gqo s TYR 67 Ca 0.00 -0.67 0.11 0.00 -1.01 0.00 0.00 57.07 55.50 1gqo s TYR 67 Cb 0.00 -1.57 0.34 0.00 -0.11 0.00 0.00 41.96 40.62 1gqo s TYR 67 CO 0.00 0.40 1.28 -1.13 -1.11 0.00 0.00 175.55 174.99 1gqo n SER 68 N -0.86 3.08 0.00 2.29 3.41 -0.61 -4.71 113.62 116.22 1gqo n SER 68 Ca -0.05 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1gqo n SER 68 Cb 0.66 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.27 1.89 3.07 5.00 0.00 -1.26 -4.49 105.19 109.68 1gqo n GLY 69 Ca 0.13 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 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 1.10 -0.26 -0.61 1.01 -0.54 -2.04 121.20 117.86 1gqo s ILE 70 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 1gqo s ILE 70 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1gqo s ILE 70 CO 0.00 0.33 0.07 -0.69 0.00 0.00 0.00 174.94 174.64 1gqo s VAL 71 N 0.07 4.19 -0.21 2.92 1.01 -0.25 -0.94 120.40 127.19 1gqo s VAL 71 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1gqo s VAL 71 Cb -0.09 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1gqo s VAL 71 CO 0.01 0.28 -0.15 -0.22 0.00 0.00 0.00 175.10 175.02 1gqo s LEU 72 N 1.58 2.60 -0.55 3.92 2.96 0.37 -0.52 118.68 129.05 1gqo s LEU 72 Ca 0.06 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 53.14 1gqo s LEU 72 Cb -0.16 -1.55 0.14 0.00 0.50 0.00 0.00 46.19 45.13 1gqo s LEU 72 CO 0.03 -0.05 0.38 0.21 -1.32 0.00 0.00 176.35 175.60 1gqo s ASN 73 N 1.28 5.43 -0.01 3.68 3.84 -0.46 -0.35 114.94 128.36 1gqo s ASN 73 Ca 0.02 -2.46 0.07 0.00 0.21 0.00 0.00 52.86 50.70 1gqo s ASN 73 Cb -0.15 -1.90 0.21 0.00 -0.55 0.00 0.00 41.25 38.87 1gqo s ASN 73 CO -0.09 -0.49 1.16 -0.81 -2.79 0.00 0.00 177.10 174.08 1gqo n PRO 74 N 4.06 1.60 0.00 0.43 -0.04 -1.26 0.32 135.00 140.11 1gqo n PRO 74 Ca 0.03 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 1gqo n PRO 74 Cb 0.40 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1gqo n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gqo n GLY 75 N 0.83 0.95 0.24 0.55 0.00 -1.26 -2.73 105.19 103.76 1gqo n GLY 75 Ca 0.08 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.89 1.00 0.00 4.61 0.00 -1.95 -2.01 119.26 120.02 1gqo h ALA 76 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gqo h ALA 76 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 76 CO 0.00 0.00 -0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1gqo h LEU 77 N 0.00 0.00 -1.67 0.00 3.38 -1.88 -2.14 115.31 112.99 1gqo h LEU 77 Ca 0.00 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.35 1gqo h LEU 77 Cb 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1gqo h LEU 77 CO 0.00 0.02 0.88 -1.28 0.09 0.00 0.00 178.44 178.14 1gqo h SER 78 N 0.00 0.18 0.59 -0.43 0.87 -1.50 0.40 113.55 113.66 1gqo h SER 78 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1gqo h SER 78 Cb 0.05 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1gqo h SER 78 CO 0.00 -0.02 -0.23 1.41 -0.53 0.00 0.00 176.83 177.45 1gqo n HIS 79 N -4.40 0.00 -0.92 2.24 8.25 -0.81 -0.68 115.22 118.90 1gqo n HIS 79 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1gqo n HIS 79 Cb 1.30 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 32.11 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 -1.29 0.00 -2.71 4.41 0.18 -1.01 -4.73 117.16 112.00 1gqo n TYR 80 Ca 0.09 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.44 1gqo n TYR 80 Cb 0.32 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.26 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gqo s SER 81 N 0.00 6.65 0.51 9.48 0.15 0.10 -4.78 113.70 125.81 1gqo s SER 81 Ca 0.00 -1.95 0.28 0.00 0.70 0.00 0.00 55.95 54.98 1gqo s SER 81 Cb 0.00 -2.50 1.35 0.00 -1.71 0.00 0.00 66.02 63.15 1gqo s SER 81 CO 0.00 -1.24 2.01 1.88 1.20 0.00 0.00 173.24 177.09 1gqo h TYR 82 N 8.88 0.00 -0.47 3.44 -1.99 -1.91 -2.39 116.97 122.52 1gqo h TYR 82 Ca 0.24 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.89 1gqo h TYR 82 Cb 0.98 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.69 1gqo h TYR 82 CO 1.25 0.13 -0.03 0.00 -0.00 0.00 0.00 178.16 179.52 1gqo h ALA 83 N 1.87 1.07 0.00 3.88 0.00 -1.99 -1.71 119.26 122.38 1gqo h ALA 83 Ca -0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.43 1gqo h ALA 83 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1gqo h ALA 83 CO 0.02 0.58 -0.93 0.82 0.00 0.00 0.00 179.25 179.74 1gqo h ILE 84 N 0.74 1.63 -0.22 0.00 2.04 -1.83 -1.78 117.51 118.10 1gqo h ILE 84 Ca 0.14 -3.24 0.05 0.00 1.00 0.00 0.00 64.86 62.81 1gqo h ILE 84 Cb 0.49 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 39.28 1gqo h ILE 84 CO 0.02 0.91 -0.11 -0.09 0.00 0.00 0.00 178.15 178.89 1gqo h ARG 85 N 0.00 -0.08 -0.19 2.37 2.43 -1.15 -2.03 114.38 115.72 1gqo h ARG 85 Ca -0.01 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1gqo h ARG 85 Cb 1.69 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 1gqo h ARG 85 CO 0.12 -0.06 -0.42 -0.44 -1.51 0.00 0.00 179.97 177.66 1gqo h ASP 86 N -0.09 0.48 -0.40 -3.80 3.32 -1.15 -2.22 116.42 112.56 1gqo h ASP 86 Ca 0.12 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1gqo h ASP 86 Cb 0.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1gqo h ASP 86 CO -0.27 0.85 0.26 0.00 -1.72 0.00 0.00 179.24 178.35 1gqo h ALA 87 N 1.17 0.51 -0.72 3.45 0.00 -0.65 -1.83 119.26 121.20 1gqo h ALA 87 Ca 0.03 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 87 Cb 0.90 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1gqo h ALA 87 CO 0.08 -0.05 0.41 0.28 0.00 0.00 0.00 179.25 179.96 1gqo h VAL 88 N 0.53 0.97 0.00 0.00 2.07 -1.12 -2.11 116.25 116.59 1gqo h VAL 88 Ca 0.15 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1gqo h VAL 88 Cb -0.04 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1gqo h VAL 88 CO -0.05 0.13 -0.20 0.28 0.02 0.00 0.00 177.57 177.76 1gqo h SER 89 N 0.74 0.00 0.13 0.57 0.02 -1.10 -2.91 113.55 111.00 1gqo h SER 89 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1gqo h SER 89 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1gqo h SER 89 CO -0.19 0.20 -0.06 -1.54 -1.14 0.00 0.00 176.83 174.10 1gqo n SER 90 N -3.84 0.76 -4.53 3.07 3.41 -0.71 -4.88 113.62 106.90 1gqo n SER 90 Ca -0.02 -1.03 -0.25 0.00 -0.26 0.00 0.00 58.87 57.32 1gqo n SER 90 Cb 0.30 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.19 2.86 -0.54 -1.33 -4.36 -1.10 -5.06 121.20 109.47 1gqo s ILE 91 Ca 0.36 -2.06 0.24 0.00 -0.26 0.00 0.00 60.65 58.93 1gqo s ILE 91 Cb 0.21 -2.47 0.11 0.00 1.25 0.00 0.00 42.46 41.56 1gqo s ILE 91 CO 0.40 -0.29 1.36 0.77 0.24 0.00 0.00 174.94 177.43 1gqo h SER 92 N 2.46 0.00 -3.98 4.36 4.64 -1.90 -3.48 113.55 115.66 1gqo h SER 92 Ca -0.44 -0.11 -0.49 0.00 -0.47 0.00 0.00 61.79 60.29 1gqo h SER 92 Cb 1.24 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1gqo h SER 92 CO 0.57 0.05 0.43 -0.76 -0.87 0.00 0.00 176.83 176.25 1gqo s LEU 93 N -4.78 4.09 0.20 5.97 1.43 -1.26 -5.02 118.68 119.31 1gqo s LEU 93 Ca 0.05 2.10 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 1gqo s LEU 93 Cb 0.11 -4.22 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 1gqo s LEU 93 CO 0.71 -0.62 1.45 -2.16 0.23 0.00 0.00 176.35 175.97 1gqo s PRO 94 N -2.58 4.28 -0.11 1.29 0.04 -1.26 -4.88 135.00 131.77 1gqo s PRO 94 Ca 0.60 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.91 1gqo s PRO 94 Cb -0.23 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.16 1gqo s PRO 94 CO 0.29 -0.46 -0.17 0.08 0.04 0.00 0.00 177.00 176.78 1gqo s VAL 95 N 0.53 1.63 -0.15 -0.36 1.01 -1.26 -1.47 120.40 120.32 1gqo s VAL 95 Ca 0.63 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1gqo s VAL 95 Cb -0.41 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1gqo s VAL 95 CO 0.37 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 175.16 1gqo s VAL 96 N 0.82 3.39 -0.13 2.92 1.01 -0.12 -1.36 120.40 126.95 1gqo s VAL 96 Ca -0.09 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1gqo s VAL 96 Cb -0.16 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1gqo s VAL 96 CO 0.01 0.50 0.73 -0.70 0.00 0.00 0.00 175.10 175.63 1gqo s GLU 97 N 0.54 4.34 -0.02 2.72 2.12 -0.71 -0.48 118.70 127.23 1gqo s GLU 97 Ca -0.06 0.86 0.07 0.00 0.36 0.00 0.00 54.97 56.20 1gqo s GLU 97 Cb -0.15 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1gqo s GLU 97 CO 0.03 -0.12 -0.22 0.08 -0.54 0.00 0.00 175.26 174.49 1gqo s VAL 98 N 1.46 1.74 -0.02 3.70 1.01 0.53 -1.37 120.40 127.45 1gqo s VAL 98 Ca 0.36 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1gqo s VAL 98 Cb -0.17 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1gqo s VAL 98 CO 0.15 0.49 -0.02 -1.00 0.00 0.00 0.00 175.10 174.71 1gqo s HIS 99 N -0.51 0.42 -0.09 5.22 3.76 -0.85 -4.16 115.29 119.08 1gqo s HIS 99 Ca 0.08 -0.07 -0.26 0.00 -0.15 0.00 0.00 55.06 54.66 1gqo s HIS 99 Cb -0.09 -0.40 -0.22 0.00 1.11 0.00 0.00 32.58 32.99 1gqo s HIS 99 CO -0.01 -0.09 0.92 -0.07 -0.85 0.00 0.00 174.74 174.64 1gqo h LEU 100 N 6.78 -0.02-10.37 0.89 4.07 -1.86 -1.77 115.31 113.03 1gqo h LEU 100 Ca -0.36 -0.74 -0.51 0.00 0.08 0.00 0.00 57.88 56.35 1gqo h LEU 100 Cb 1.16 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.97 1gqo h LEU 100 CO 0.49 0.76 0.42 -0.94 -1.08 0.00 0.00 178.44 178.08 1gqo s SER 101 N -5.95 6.19 -0.88 -0.43 1.04 -1.26 -1.22 113.70 111.18 1gqo s SER 101 Ca -0.17 1.40 -0.25 0.00 0.48 0.00 0.00 55.95 57.42 1gqo s SER 101 Cb -0.01 -2.44 0.02 0.00 0.10 0.00 0.00 66.02 63.70 1gqo s SER 101 CO 0.64 -0.90 1.50 0.21 0.98 0.00 0.00 173.24 175.67 1gqo s ASN 102 N -4.19 6.11 0.37 7.02 3.84 -1.26 -1.63 114.94 125.20 1gqo s ASN 102 Ca 0.55 -0.88 0.07 0.00 0.21 0.00 0.00 52.86 52.81 1gqo s ASN 102 Cb -0.11 -2.56 0.78 0.00 -0.55 0.00 0.00 41.25 38.81 1gqo s ASN 102 CO 0.54 -1.85 1.98 -0.07 -2.79 0.00 0.00 177.10 174.90 1gqo h LEU 103 N 13.85 0.62 -1.21 3.21 3.38 -1.91 -2.45 115.31 130.80 1gqo h LEU 103 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gqo h LEU 103 Cb 1.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1gqo h LEU 103 CO 1.34 0.40 0.00 1.88 0.09 0.00 0.00 178.44 182.15 1gqo h TYR 104 N 0.70 0.00 -0.07 1.13 0.99 -1.89 0.57 116.97 118.40 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 0.23 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.96 1gqo h TYR 104 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1gqo n ALA 105 N -1.81 2.48 -2.56 3.88 0.00 -0.92 -4.96 120.51 116.61 1gqo n ALA 105 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1gqo n ALA 105 Cb 0.14 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.10 3.67 -1.68 0.00 1.74 0.19 -5.07 116.66 116.61 1gqo n ARG 106 Ca 0.16 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1gqo n ARG 106 Cb 0.54 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.99 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 1.82 -0.35 5.56 4.71 -1.26 -4.88 120.64 126.23 1gqo n GLU 107 Ca 0.00 0.65 0.14 0.00 -0.01 0.00 0.00 57.16 57.94 1gqo n GLU 107 Cb 0.00 -2.31 0.34 0.00 -1.01 0.00 0.00 31.44 28.46 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 1.99 0.69 0.00 3.49 4.81 -1.95 0.91 114.58 124.52 1gqo h GLU 108 Ca -0.47 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1gqo h GLU 108 Cb 1.30 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1gqo h GLU 108 CO 0.59 0.46 -0.00 0.27 -0.73 0.00 0.00 179.01 179.60 1gqo h PHE 109 N 0.71 0.00 -0.00 0.92 -5.15 -1.97 -0.91 116.94 110.54 1gqo h PHE 109 Ca 0.60 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.37 1gqo h PHE 109 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.16 1gqo h PHE 109 CO -0.00 0.00 -0.00 0.54 -2.00 0.00 0.00 178.31 176.84 1gqo n ARG 110 N -4.08 0.94 -0.01 6.09 1.74 0.31 -3.97 116.66 117.68 1gqo n ARG 110 Ca -0.03 -0.07 0.13 0.00 -0.77 0.00 0.00 57.85 57.11 1gqo n ARG 110 Cb 0.09 -1.50 0.71 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.97 0.02 -4.06 -1.55 8.25 -0.35 -4.72 115.22 111.84 1gqo n HIS 111 Ca 0.22 -0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.53 1gqo n HIS 111 Cb 0.15 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.98 0.31 -0.12 -0.41 0.00 -1.26 -4.99 119.66 111.22 1gqo s GLN 112 Ca 0.38 -0.22 0.02 0.00 -0.00 0.00 0.00 55.36 55.54 1gqo s GLN 112 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 33.01 32.94 1gqo s GLN 112 CO 0.30 0.06 -0.19 0.45 0.00 0.00 0.00 175.29 175.92 1gqo s SER 113 N -0.33 3.52 0.00 12.60 0.15 -1.26 -4.26 113.70 124.11 1gqo s SER 113 Ca -0.01 -0.46 0.29 0.00 0.70 0.00 0.00 55.95 56.47 1gqo s SER 113 Cb -0.03 -1.51 1.18 0.00 -1.71 0.00 0.00 66.02 63.95 1gqo s SER 113 CO -0.00 0.15 1.84 1.33 1.20 0.00 0.00 173.24 177.76 1gqo n VAL 114 N 3.59 0.00 -0.05 4.45 0.24 0.14 -3.94 118.33 122.76 1gqo n VAL 114 Ca -0.19 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 1gqo n VAL 114 Cb 0.53 -0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.61 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 -1.10 1.55 -0.22 1.34 5.41 -1.26 -4.54 119.36 120.54 1gqo n ILE 115 Ca 0.13 -0.79 0.02 0.00 1.00 0.00 0.00 62.75 63.10 1gqo n ILE 115 Cb 0.29 -0.93 0.26 0.00 -0.71 0.00 0.00 39.64 38.55 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 0.87 1.51 -0.32 -1.39 0.00 -1.91 -2.59 119.26 115.42 1gqo h ALA 116 Ca -0.40 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1gqo h ALA 116 Cb 2.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1gqo h ALA 116 CO 0.06 0.43 0.26 -1.35 0.00 0.00 0.00 179.25 178.65 1gqo h PRO 117 N 0.98 0.00 -0.01 0.00 0.11 -1.80 -1.87 132.00 129.41 1gqo h PRO 117 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1gqo h PRO 117 Cb -0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1gqo h PRO 117 CO -0.08 0.00 -0.38 1.33 -0.21 0.00 0.00 178.00 178.67 1gqo n VAL 118 N -4.17 0.00 -2.43 3.15 0.24 -0.99 -4.98 118.33 109.14 1gqo n VAL 118 Ca 0.05 -0.31 -0.25 0.00 -2.04 0.00 0.00 64.34 61.79 1gqo n VAL 118 Cb 0.43 1.18 0.10 0.00 -1.47 0.00 0.00 33.84 34.09 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 -1.99 3.42 0.13 2.33 0.00 -0.70 -4.79 121.76 120.17 1gqo s ALA 119 Ca 0.13 -1.47 -0.14 0.00 0.00 0.00 0.00 51.96 50.47 1gqo s ALA 119 Cb 0.13 -2.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1gqo s ALA 119 CO 0.44 -1.49 1.59 0.87 0.00 0.00 0.00 175.76 177.16 1gqo h LYS 120 N -0.63 0.72 0.00 0.00 1.79 -1.49 -3.49 116.57 113.47 1gqo h LYS 120 Ca -0.40 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 57.86 1gqo h LYS 120 Cb 1.27 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1gqo h LYS 120 CO 0.44 0.79 0.00 0.41 -1.08 0.00 0.00 179.45 180.01 1gqo n GLY 121 N -0.40 0.78 3.41 3.86 0.00 -1.25 -5.07 105.19 106.52 1gqo n GLY 121 Ca -0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.20 0.68 -0.15 1.61 0.74 -1.26 -1.73 119.66 119.36 1gqo s GLN 122 Ca 0.00 0.54 0.01 0.00 0.05 0.00 0.00 55.36 55.96 1gqo s GLN 122 Cb 0.00 0.33 0.02 0.00 1.10 0.00 0.00 33.01 34.45 1gqo s GLN 122 CO 0.00 -0.12 -0.19 0.42 -0.55 0.00 0.00 175.29 174.85 1gqo s ILE 123 N -0.15 1.87 -0.01 -2.34 1.01 -0.47 -4.96 121.20 116.15 1gqo s ILE 123 Ca -0.03 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1gqo s ILE 123 Cb -0.03 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1gqo s ILE 123 CO 0.03 0.51 -0.20 -0.69 0.00 0.00 0.00 174.94 174.59 1gqo s VAL 124 N 1.12 1.57 0.00 2.92 1.01 -1.26 -2.00 120.40 123.76 1gqo s VAL 124 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1gqo s VAL 124 Cb -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1gqo s VAL 124 CO -0.07 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1gqo n GLY 125 N 2.51 0.85 1.65 4.51 0.00 -0.65 -4.81 105.19 109.25 1gqo n GLY 125 Ca -0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1gqo n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gqo n LEU 126 N 0.00 4.93 0.00 0.99 4.77 -1.18 -4.49 117.00 122.02 1gqo n LEU 126 Ca 0.00 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 1gqo n LEU 126 Cb 0.00 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1gqo n LEU 126 CO 0.00 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1gqo n GLY 127 N 1.02 0.07 0.22 -0.72 0.00 -0.36 -3.41 105.19 102.02 1gqo n GLY 127 Ca 0.26 -0.96 0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.57 1.00 -0.02 4.61 0.00 -1.89 -0.86 119.26 121.53 1gqo h ALA 128 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1gqo h ALA 128 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 128 CO 0.00 0.00 0.02 1.49 0.00 0.00 0.00 179.25 180.76 1gqo h GLU 129 N 0.00 0.00 -0.06 0.00 4.57 -1.97 -1.95 114.58 115.17 1gqo h GLU 129 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1gqo h GLU 129 Cb 0.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1gqo h GLU 129 CO 0.00 0.00 0.10 0.78 -1.18 0.00 0.00 179.01 178.71 1gqo h GLY 130 N 0.00 0.00 1.04 1.92 0.00 -1.20 -0.89 103.07 103.94 1gqo h GLY 130 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1gqo h GLY 130 CO -0.00 0.00 -0.33 -0.97 0.00 0.00 0.00 176.54 175.24 1gqo h TYR 131 N 0.00 0.98 -0.12 5.60 -1.99 -1.56 -1.78 116.97 118.10 1gqo h TYR 131 Ca 0.03 -0.29 -0.05 0.00 2.00 0.00 0.00 58.73 60.41 1gqo h TYR 131 Cb 0.24 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.76 1gqo h TYR 131 CO 0.00 1.08 -0.14 0.87 -0.00 0.00 0.00 178.16 179.97 1gqo h LYS 132 N 0.60 0.31 -0.93 4.88 1.57 -1.50 -0.18 116.57 121.31 1gqo h LYS 132 Ca 0.05 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1gqo h LYS 132 Cb 0.91 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1gqo h LYS 132 CO 0.08 0.72 0.61 -0.07 -0.57 0.00 0.00 179.45 180.23 1gqo h LEU 133 N -0.09 1.01 -0.53 2.94 3.38 -1.14 -0.65 115.31 120.22 1gqo h LEU 133 Ca 0.02 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1gqo h LEU 133 Cb 0.68 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1gqo h LEU 133 CO 0.03 0.69 -0.03 0.00 0.09 0.00 0.00 178.44 179.23 1gqo h ALA 134 N 1.46 0.72 -0.51 1.53 0.00 -0.97 -1.42 119.26 120.07 1gqo h ALA 134 Ca 0.37 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1gqo h ALA 134 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1gqo h ALA 134 CO -0.11 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.00 1gqo h VAL 135 N 0.83 1.24 -0.54 0.00 2.07 0.00 -1.76 116.25 118.10 1gqo h VAL 135 Ca 0.15 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1gqo h VAL 135 Cb 0.57 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1gqo h VAL 135 CO 0.03 0.35 0.19 0.03 0.02 0.00 0.00 177.57 178.20 1gqo h ARG 136 N 0.78 0.83 -0.04 1.57 3.08 -0.91 -0.90 114.38 118.78 1gqo h ARG 136 Ca 0.15 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1gqo h ARG 136 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1gqo h ARG 136 CO 0.02 0.74 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.70 1gqo h TYR 137 N 0.74 -0.09 -0.99 3.04 3.20 -0.97 -1.59 116.97 120.32 1gqo h TYR 137 Ca 0.18 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.10 1gqo h TYR 137 Cb 0.24 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 1gqo h TYR 137 CO 0.01 -0.06 0.65 -0.07 -1.64 0.00 0.00 178.16 177.05 1gqo h LEU 138 N -0.05 1.06 0.22 2.82 4.07 -0.97 -2.35 115.31 120.11 1gqo h LEU 138 Ca 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1gqo h LEU 138 Cb 0.09 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1gqo h LEU 138 CO -0.07 0.71 -0.10 -0.07 -1.08 0.00 0.00 178.44 177.83 1gqo h LEU 139 N 1.22 -0.24 -0.19 1.67 3.38 -0.55 -1.75 115.31 118.84 1gqo h LEU 139 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1gqo h LEU 139 Cb 0.05 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1gqo h LEU 139 CO -0.14 -0.17 0.18 -1.54 0.09 0.00 0.00 178.44 176.86 1gqo n SER 140 N -5.21 0.07 -0.73 -0.43 3.41 -0.65 -5.10 113.62 104.98 1gqo n SER 140 Ca -0.09 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.04 1gqo n SER 140 Cb 0.14 -0.38 0.30 0.00 -0.26 0.00 0.00 64.21 64.01 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88