#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 1.27 0.10 6.00 2.46 -1.25 0.23 115.29 124.09 1gqo s HIS 2 Ca 0.00 -0.70 0.10 0.00 0.47 0.00 0.00 55.06 54.93 1gqo s HIS 2 Cb 0.00 -1.11 -0.04 0.00 -0.13 0.00 0.00 32.58 31.30 1gqo s HIS 2 CO 0.00 -0.51 -0.25 -0.06 -2.47 0.00 0.00 174.74 171.45 1gqo s PHE 3 N 1.78 2.36 -0.23 3.88 2.99 0.10 -1.57 117.98 127.29 1gqo s PHE 3 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 56.93 56.49 1gqo s PHE 3 Cb -0.14 -1.32 -0.05 0.00 0.00 0.00 0.00 43.02 41.52 1gqo s PHE 3 CO -0.07 0.28 0.13 -1.17 -0.00 0.00 0.00 175.22 174.39 1gqo s LEU 4 N -1.79 4.03 -0.43 -0.37 0.20 -0.75 -1.31 118.68 118.26 1gqo s LEU 4 Ca 0.14 0.10 -0.14 0.00 0.69 0.00 0.00 54.13 54.92 1gqo s LEU 4 Cb -0.10 -2.07 0.05 0.00 -0.43 0.00 0.00 46.19 43.64 1gqo s LEU 4 CO 0.05 0.09 0.31 -0.63 -0.29 0.00 0.00 176.35 175.88 1gqo s ILE 5 N 0.90 4.98 -0.23 6.68 -1.09 -0.32 -1.03 121.20 131.10 1gqo s ILE 5 Ca 0.07 -0.94 -0.05 0.00 -2.23 0.00 0.00 60.65 57.49 1gqo s ILE 5 Cb -0.13 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 1gqo s ILE 5 CO 0.03 -0.42 0.01 -0.22 -1.23 0.00 0.00 174.94 173.11 1gqo s LEU 6 N 1.61 3.16 -0.06 2.97 0.20 0.20 -2.08 118.68 124.67 1gqo s LEU 6 Ca 0.04 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.59 1gqo s LEU 6 Cb -0.21 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 1gqo s LEU 6 CO 0.07 -0.02 -0.13 0.20 -0.29 0.00 0.00 176.35 176.18 1gqo s ASN 7 N 1.48 4.12 0.00 3.68 0.01 0.35 -1.49 114.94 123.09 1gqo s ASN 7 Ca 0.06 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1gqo s ASN 7 Cb -0.15 -1.00 0.00 0.00 0.41 0.00 0.00 41.25 40.51 1gqo s ASN 7 CO 0.00 0.32 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 1gqo n GLY 8 N 2.47 2.43 3.77 0.66 0.00 0.28 -2.27 105.19 112.52 1gqo n GLY 8 Ca -0.17 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1gqo n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gqo s PRO 9 N 3.60 4.17 0.00 1.61 0.01 -1.08 -2.70 135.00 140.60 1gqo s PRO 9 Ca 0.00 2.48 0.00 0.00 0.01 0.00 0.00 61.00 63.49 1gqo s PRO 9 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 34.50 31.49 1gqo s PRO 9 CO 0.00 -0.49 0.00 0.09 0.01 0.00 0.00 177.00 176.61 1gqo n ASN 10 N 1.16 0.00 0.19 2.53 3.02 -1.26 -4.50 115.26 116.40 1gqo n ASN 10 Ca 0.03 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.63 1gqo n ASN 10 Cb 0.39 -0.53 0.48 0.00 -0.61 0.00 0.00 39.78 39.52 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 1.13 0.00 2.41 2.07 -1.89 -0.74 116.25 119.23 1gqo h VAL 11 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1gqo h VAL 11 Cb 0.00 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1gqo h VAL 11 CO 0.00 0.18 0.00 -0.46 0.02 0.00 0.00 177.57 177.31 1gqo n ASN 12 N -4.34 0.57 -1.13 0.57 6.94 -1.26 -2.36 115.26 114.25 1gqo n ASN 12 Ca -0.02 0.73 0.09 0.00 -0.02 0.00 0.00 54.58 55.37 1gqo n ASN 12 Cb 0.23 -0.82 0.26 0.00 -2.36 0.00 0.00 39.78 37.09 1gqo n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gqo n ARG 13 N -2.23 2.52 -1.65 -3.83 5.12 -0.28 -4.72 116.66 111.58 1gqo n ARG 13 Ca -0.01 -2.14 -0.47 0.00 -1.93 0.00 0.00 57.85 53.30 1gqo n ARG 13 Cb 0.08 -1.52 -0.05 0.00 -1.16 0.00 0.00 32.46 29.81 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 1.14 2.79 0.00 0.55 4.32 -0.99 -3.14 117.00 121.67 1gqo n LEU 14 Ca 0.20 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 57.28 1gqo n LEU 14 Cb 0.54 -1.38 0.00 0.00 -1.62 0.00 0.00 43.42 40.97 1gqo n LEU 14 CO 0.14 -0.45 0.00 0.61 -1.22 0.00 0.00 177.39 176.48 1gqo n GLY 15 N 3.23 3.06 0.04 -0.72 0.00 -1.25 -4.17 105.19 105.39 1gqo n GLY 15 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1gqo n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqo n SER 16 N 1.22 0.00 0.00 1.61 7.64 -1.19 -4.43 113.62 118.47 1gqo n SER 16 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1gqo n SER 16 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1gqo n SER 16 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1gqo n ARG 17 N -0.39 0.00 -1.63 1.43 1.85 -1.26 -5.15 116.66 111.52 1gqo n ARG 17 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.36 1gqo n ARG 17 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 1gqo n ARG 17 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1gqo n GLU 18 N 0.00 1.81 -0.00 2.89 1.02 -1.26 -4.91 120.64 120.19 1gqo n GLU 18 Ca 0.00 0.62 0.10 0.00 -0.02 0.00 0.00 57.16 57.86 1gqo n GLU 18 Cb 0.00 -2.61 -0.13 0.00 -0.02 0.00 0.00 31.44 28.68 1gqo n GLU 18 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1gqo n PRO 19 N 7.10 0.30 0.17 3.49 -0.04 -1.26 -2.90 135.00 141.86 1gqo n PRO 19 Ca 0.28 -0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.73 1gqo n PRO 19 Cb 0.28 -1.48 0.26 0.00 -0.04 0.00 0.00 33.50 32.51 1gqo n PRO 19 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1gqo h GLU 20 N 0.00 0.00 0.00 0.54 4.81 -1.91 0.16 114.58 118.18 1gqo h GLU 20 Ca 0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1gqo h GLU 20 Cb 0.62 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1gqo h GLU 20 CO 0.00 0.44 -1.89 0.28 -0.73 0.00 0.00 179.01 177.11 1gqo n VAL 21 N -3.50 0.88 -0.07 0.32 0.31 -1.26 -4.83 118.33 110.17 1gqo n VAL 21 Ca 0.00 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 1gqo n VAL 21 Cb 0.57 -1.61 -0.15 0.00 -0.91 0.00 0.00 33.84 31.74 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 -3.59 0.33 0.00 3.52 3.01 -1.14 -4.45 117.46 115.13 1gqo n PHE 22 Ca -0.31 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1gqo n PHE 22 Cb 0.73 -1.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 1.68 2.77 0.41 1.37 0.00 0.56 -4.75 105.19 107.23 1gqo n GLY 23 Ca -0.28 -1.36 0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 1.58 -0.04 -0.93 1.61 5.12 -1.24 -4.52 116.66 118.24 1gqo n ARG 24 Ca 0.00 1.27 -0.32 0.00 -1.93 0.00 0.00 57.85 56.87 1gqo n ARG 24 Cb 0.00 -2.42 0.15 0.00 -1.16 0.00 0.00 32.46 29.02 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 -5.32 1.35 0.49 5.56 -1.52 -1.26 -4.75 119.66 114.22 1gqo s GLN 25 Ca -0.08 1.67 0.09 0.00 -1.95 0.00 0.00 55.36 55.09 1gqo s GLN 25 Cb 0.31 -1.75 0.04 0.00 -0.22 0.00 0.00 33.01 31.39 1gqo s GLN 25 CO 0.79 -2.41 0.64 0.95 -0.25 0.00 0.00 175.29 175.00 1gqo s THR 26 N -2.36 2.52 0.28 -0.19 -4.23 -1.26 -3.74 115.64 106.65 1gqo s THR 26 Ca 0.70 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1gqo s THR 26 Cb -0.26 -2.58 0.16 0.00 1.34 0.00 0.00 72.50 71.16 1gqo s THR 26 CO 0.54 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.69 1gqo h LEU 27 N 0.48 0.78 -0.12 4.79 5.85 -1.83 -1.81 115.31 123.45 1gqo h LEU 27 Ca -0.36 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1gqo h LEU 27 Cb 1.28 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1gqo h LEU 27 CO 0.45 0.76 -0.05 0.74 -0.34 0.00 0.00 178.44 180.00 1gqo h THR 28 N 0.81 0.82 -0.58 1.05 2.02 -1.94 -1.07 112.91 114.03 1gqo h THR 28 Ca 0.18 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.44 1gqo h THR 28 Cb 0.29 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1gqo h THR 28 CO -0.00 0.00 0.24 0.44 0.37 0.00 0.00 175.52 176.57 1gqo h ASP 29 N -0.04 0.27 -0.55 4.18 3.32 -1.81 -1.37 116.42 120.42 1gqo h ASP 29 Ca 0.07 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1gqo h ASP 29 Cb 0.14 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1gqo h ASP 29 CO -0.15 0.18 0.24 0.40 -1.72 0.00 0.00 179.24 178.18 1gqo h ILE 30 N 0.44 1.22 -0.34 0.35 2.04 -0.75 -1.86 117.51 118.61 1gqo h ILE 30 Ca 0.28 -0.65 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1gqo h ILE 30 Cb 0.30 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1gqo h ILE 30 CO -0.26 0.25 0.19 -0.08 0.00 0.00 0.00 178.15 178.26 1gqo h GLU 31 N 0.75 0.38 -0.38 2.37 4.81 -0.76 -0.96 114.58 120.79 1gqo h GLU 31 Ca 0.19 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1gqo h GLU 31 Cb 0.17 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1gqo h GLU 31 CO -0.02 0.25 0.17 1.15 -0.73 0.00 0.00 179.01 179.83 1gqo h THR 32 N 0.39 0.94 -0.53 0.32 2.02 -0.98 -1.28 112.91 113.79 1gqo h THR 32 Ca 0.14 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1gqo h THR 32 Cb 0.02 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1gqo h THR 32 CO -0.08 0.06 0.34 0.44 0.37 0.00 0.00 175.52 176.66 1gqo h ASP 33 N 0.35 0.58 -0.22 4.18 3.45 -0.79 -2.78 116.42 121.19 1gqo h ASP 33 Ca 0.17 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.53 1gqo h ASP 33 Cb 0.11 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 1gqo h ASP 33 CO -0.14 0.41 -0.15 -0.07 -1.57 0.00 0.00 179.24 177.72 1gqo h LEU 34 N 0.69 0.62 -1.31 1.55 3.38 -0.75 -2.35 115.31 117.14 1gqo h LEU 34 Ca 0.20 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1gqo h LEU 34 Cb -0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1gqo h LEU 34 CO -0.06 0.80 0.50 -0.26 0.09 0.00 0.00 178.44 179.50 1gqo h PHE 35 N 0.57 0.86 -0.01 1.13 0.05 -0.98 0.20 116.94 118.76 1gqo h PHE 35 Ca 0.10 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 1gqo h PHE 35 Cb 0.59 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 38.26 1gqo h PHE 35 CO 0.02 0.48 -0.02 1.96 -0.18 0.00 0.00 178.31 180.58 1gqo h GLN 36 N 0.87 0.02 -0.55 1.51 4.20 -1.39 -1.27 115.11 118.50 1gqo h GLN 36 Ca 0.31 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.07 1gqo h GLN 36 Cb 0.13 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1gqo h GLN 36 CO -0.10 0.62 0.37 0.35 -0.67 0.00 0.00 178.83 179.40 1gqo h PHE 37 N -0.57 0.49 -0.19 2.96 3.57 -1.20 0.16 116.94 122.16 1gqo h PHE 37 Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1gqo h PHE 37 Cb 0.62 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1gqo h PHE 37 CO 0.13 0.26 -0.05 0.00 -2.23 0.00 0.00 178.31 176.43 1gqo h ALA 38 N 1.70 0.26 -0.60 2.41 0.00 -0.59 -2.92 119.26 119.53 1gqo h ALA 38 Ca 0.24 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gqo h ALA 38 Cb 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1gqo h ALA 38 CO -0.07 0.04 0.40 0.93 0.00 0.00 0.00 179.25 180.55 1gqo h GLU 39 N 0.09 0.78 0.00 0.00 3.07 0.32 0.98 114.58 119.81 1gqo h GLU 39 Ca 0.05 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1gqo h GLU 39 Cb 0.49 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1gqo h GLU 39 CO 0.02 0.51 -0.22 0.00 -1.40 0.00 0.00 179.01 177.92 1gqo h ALA 40 N 1.63 0.99 -0.39 3.43 0.00 -0.79 -2.97 119.26 121.16 1gqo h ALA 40 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1gqo h ALA 40 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1gqo h ALA 40 CO -0.05 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1gqo n LEU 41 N -3.34 4.10 -3.85 0.00 4.77 -1.09 -4.94 117.00 112.66 1gqo n LEU 41 Ca 0.00 -2.70 -0.31 0.00 -0.03 0.00 0.00 56.01 52.98 1gqo n LEU 41 Cb 0.45 -0.51 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1gqo n LEU 41 CO 0.33 0.70 -0.16 1.41 -1.33 0.00 0.00 177.39 178.35 1gqo n HIS 42 N 0.14 -1.73 -4.30 -1.77 8.25 -0.92 -4.97 115.22 109.91 1gqo n HIS 42 Ca 0.21 0.52 -0.17 0.00 -0.26 0.00 0.00 57.72 58.03 1gqo n HIS 42 Cb 0.84 -3.47 -0.10 0.00 1.12 0.00 0.00 29.99 28.38 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 -3.69 1.49 -0.02 1.59 -4.36 0.34 -4.59 121.20 111.97 1gqo s ILE 43 Ca 0.28 -2.15 -0.00 0.00 -0.26 0.00 0.00 60.65 58.52 1gqo s ILE 43 Cb -0.11 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1gqo s ILE 43 CO 0.89 -0.66 0.04 -1.10 0.24 0.00 0.00 174.94 174.35 1gqo s GLN 44 N -3.69 2.96 -0.01 0.37 -0.21 0.13 -4.23 119.66 114.99 1gqo s GLN 44 Ca 0.20 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 55.10 1gqo s GLN 44 Cb 0.01 -2.79 -0.01 0.00 1.00 0.00 0.00 33.01 31.22 1gqo s GLN 44 CO 0.04 0.65 -0.09 -0.51 -2.12 0.00 0.00 175.29 173.26 1gqo s LEU 45 N -1.53 1.97 -0.05 2.90 1.43 -1.26 -0.72 118.68 121.42 1gqo s LEU 45 Ca 0.20 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 1gqo s LEU 45 Cb -0.12 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 1gqo s LEU 45 CO 0.11 0.11 -0.24 -0.89 0.23 0.00 0.00 176.35 175.66 1gqo s THR 46 N -0.14 1.97 -0.09 5.49 2.01 -0.43 -4.94 115.64 119.52 1gqo s THR 46 Ca 0.02 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 1gqo s THR 46 Cb -0.05 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1gqo s THR 46 CO -0.00 0.55 0.03 -0.36 -0.69 0.00 0.00 174.62 174.15 1gqo s PHE 47 N -0.20 3.26 -0.18 4.92 0.40 -1.26 -1.17 117.98 123.75 1gqo s PHE 47 Ca -0.02 0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.47 1gqo s PHE 47 Cb -0.13 -1.82 0.06 0.00 0.51 0.00 0.00 43.02 41.64 1gqo s PHE 47 CO 0.03 0.53 0.44 0.12 0.70 0.00 0.00 175.22 177.04 1gqo s PHE 48 N -0.92 -0.63 -0.01 0.36 5.36 -0.89 -4.99 117.98 116.27 1gqo s PHE 48 Ca 0.14 1.35 0.02 0.00 -0.96 0.00 0.00 56.93 57.48 1gqo s PHE 48 Cb -0.11 0.28 -0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1gqo s PHE 48 CO 0.03 -0.34 -0.06 -1.14 -1.46 0.00 0.00 175.22 172.25 1gqo s GLN 49 N 1.22 0.59 0.04 10.12 -0.44 -1.26 -0.50 119.66 129.43 1gqo s GLN 49 Ca -0.08 -0.21 -0.19 0.00 -2.50 0.00 0.00 55.36 52.37 1gqo s GLN 49 Cb -0.07 -0.58 0.04 0.00 -1.64 0.00 0.00 33.01 30.76 1gqo s GLN 49 CO -0.11 0.10 0.44 0.45 0.50 0.00 0.00 175.29 176.68 1gqo s SER 50 N 0.03 -0.33 0.00 6.67 0.15 -0.96 -4.99 113.70 114.27 1gqo s SER 50 Ca 0.00 0.08 0.24 0.00 0.70 0.00 0.00 55.95 56.97 1gqo s SER 50 Cb -0.05 0.44 0.32 0.00 -1.71 0.00 0.00 66.02 65.02 1gqo s SER 50 CO -0.00 -0.66 1.31 0.59 1.20 0.00 0.00 173.24 175.68 1gqo n ASN 51 N 0.55 2.26 -4.65 5.45 3.02 -1.26 -2.65 115.26 117.98 1gqo n ASN 51 Ca -0.19 -1.65 -0.36 0.00 -0.03 0.00 0.00 54.58 52.36 1gqo n ASN 51 Cb 0.60 0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.84 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 -2.21 3.29 0.19 3.10 3.76 -1.26 -4.69 115.29 117.47 1gqo s HIS 52 Ca 0.26 0.14 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 1gqo s HIS 52 Cb 0.19 -2.19 0.19 0.00 1.11 0.00 0.00 32.58 31.89 1gqo s HIS 52 CO 0.42 0.10 1.74 1.49 -0.85 0.00 0.00 174.74 177.64 1gqo h GLU 53 N 7.16 0.34 0.00 1.40 4.81 -2.01 -1.93 114.58 124.35 1gqo h GLU 53 Ca -0.38 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1gqo h GLU 53 Cb 1.17 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1gqo h GLU 53 CO 0.68 0.22 -0.03 0.78 -0.73 0.00 0.00 179.01 179.93 1gqo h GLY 54 N 0.35 0.00 1.24 1.92 0.00 -1.99 -2.08 103.07 102.51 1gqo h GLY 54 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.31 1gqo h GLY 54 CO -0.27 0.00 -1.11 -0.55 0.00 0.00 0.00 176.54 174.61 1gqo h ASP 55 N 0.00 0.88 -0.40 0.19 3.32 -1.77 -1.76 116.42 116.88 1gqo h ASP 55 Ca -0.00 -0.74 -0.02 0.00 0.02 0.00 0.00 57.03 56.29 1gqo h ASP 55 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1gqo h ASP 55 CO 0.00 1.54 0.16 -0.07 -1.72 0.00 0.00 179.24 179.16 1gqo h LEU 56 N 0.35 0.55 -0.77 1.55 3.38 -1.20 -1.98 115.31 117.18 1gqo h LEU 56 Ca -0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1gqo h LEU 56 Cb 1.77 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 1gqo h LEU 56 CO 0.21 0.56 0.46 0.40 0.09 0.00 0.00 178.44 180.16 1gqo h ILE 57 N 0.50 1.22 -0.43 1.22 2.04 -1.45 0.11 117.51 120.72 1gqo h ILE 57 Ca 0.13 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1gqo h ILE 57 Cb 0.18 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1gqo h ILE 57 CO -0.01 0.23 0.24 0.44 0.00 0.00 0.00 178.15 179.06 1gqo h ASP 58 N 1.06 0.52 -0.37 1.72 3.32 -1.16 -1.87 116.42 119.64 1gqo h ASP 58 Ca 0.28 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1gqo h ASP 58 Cb -0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1gqo h ASP 58 CO -0.05 0.45 0.18 0.00 -1.72 0.00 0.00 179.24 178.10 1gqo h ALA 59 N 1.10 0.47 -0.45 3.45 0.00 -1.02 -1.88 119.26 120.93 1gqo h ALA 59 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gqo h ALA 59 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1gqo h ALA 59 CO -0.03 0.02 0.22 0.82 0.00 0.00 0.00 179.25 180.29 1gqo h ILE 60 N 0.46 1.18 -0.76 0.00 2.04 -0.64 -1.17 117.51 118.61 1gqo h ILE 60 Ca 0.13 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1gqo h ILE 60 Cb 0.10 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1gqo h ILE 60 CO -0.02 0.19 0.50 0.45 0.00 0.00 0.00 178.15 179.28 1gqo h HIS 61 N 0.58 0.95 0.00 1.37 3.86 -1.19 -2.20 115.15 118.52 1gqo h HIS 61 Ca 0.15 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1gqo h HIS 61 Cb 0.10 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.25 1gqo h HIS 61 CO -0.01 0.59 -0.02 0.93 0.86 0.00 0.00 177.93 180.28 1gqo h GLU 62 N 1.02 0.00 -0.51 2.45 5.08 -1.25 -3.31 114.58 118.06 1gqo h GLU 62 Ca 0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1gqo h GLU 62 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1gqo h GLU 62 CO -0.07 0.00 0.10 0.00 -1.00 0.00 0.00 179.01 178.04 1gqo h ALA 63 N 2.40 1.22 -1.07 3.43 0.00 -0.54 -3.24 119.26 121.46 1gqo h ALA 63 Ca 0.00 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 54.99 1gqo h ALA 63 Cb 0.80 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1gqo h ALA 63 CO 0.00 0.53 0.70 1.49 0.00 0.00 0.00 179.25 181.97 1gqo h GLU 64 N 0.76 0.33 -0.37 0.00 4.57 -1.67 0.12 114.58 118.31 1gqo h GLU 64 Ca 0.16 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1gqo h GLU 64 Cb 0.31 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1gqo h GLU 64 CO 0.00 0.22 0.00 0.39 -1.18 0.00 0.00 179.01 178.44 1gqo n GLU 65 N -4.60 2.23 0.00 1.92 1.02 -1.22 -4.58 120.64 115.40 1gqo n GLU 65 Ca 0.26 -1.87 0.00 0.00 -0.02 0.00 0.00 57.16 55.53 1gqo n GLU 65 Cb 0.95 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 1.07 3.13 -4.61 3.49 7.27 0.25 -5.12 117.38 122.85 1gqo n GLN 66 Ca 0.18 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.98 1gqo n GLN 66 Cb 0.49 -0.55 -0.10 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 -0.62 2.22 -0.75 3.69 1.51 -0.16 -4.94 117.35 118.30 1gqo s TYR 67 Ca 0.00 -0.83 0.07 0.00 -1.01 0.00 0.00 57.07 55.30 1gqo s TYR 67 Cb 0.00 -1.60 0.13 0.00 -0.11 0.00 0.00 41.96 40.38 1gqo s TYR 67 CO 0.00 0.26 0.95 -1.13 -1.11 0.00 0.00 175.55 174.52 1gqo n SER 68 N -0.99 2.10 -3.61 2.29 3.41 -0.61 -4.77 113.62 111.44 1gqo n SER 68 Ca -0.07 -1.65 -0.06 0.00 -0.26 0.00 0.00 58.87 56.83 1gqo n SER 68 Cb 0.67 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 1gqo n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gqo s GLY 69 N -0.80 -0.12 0.00 5.00 0.00 -1.26 -4.40 107.32 105.74 1gqo s GLY 69 Ca 0.12 2.30 0.07 0.00 0.00 0.00 0.00 44.72 47.20 1gqo s GLY 69 CO 0.10 0.98 -0.20 -0.42 0.00 0.00 0.00 173.10 173.56 1gqo s ILE 70 N -1.28 1.62 -0.30 0.90 1.01 -0.72 -1.82 121.20 120.62 1gqo s ILE 70 Ca 0.04 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 1gqo s ILE 70 Cb -0.01 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1gqo s ILE 70 CO -0.04 0.38 0.07 -0.69 0.00 0.00 0.00 174.94 174.66 1gqo s VAL 71 N -0.58 3.85 -0.18 2.92 1.01 -0.20 -2.20 120.40 125.03 1gqo s VAL 71 Ca 0.08 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1gqo s VAL 71 Cb -0.08 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 1gqo s VAL 71 CO 0.00 0.05 -0.09 -0.22 0.00 0.00 0.00 175.10 174.84 1gqo s LEU 72 N 1.47 2.79 -0.53 3.92 2.96 0.68 -0.63 118.68 129.34 1gqo s LEU 72 Ca 0.02 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1gqo s LEU 72 Cb -0.17 -1.67 0.14 0.00 0.50 0.00 0.00 46.19 44.98 1gqo s LEU 72 CO 0.02 0.06 0.30 0.21 -1.32 0.00 0.00 176.35 175.62 1gqo s ASN 73 N 1.01 4.84 0.00 3.68 3.84 -0.55 0.23 114.94 127.99 1gqo s ASN 73 Ca -0.01 -2.74 0.31 0.00 0.21 0.00 0.00 52.86 50.63 1gqo s ASN 73 Cb -0.15 -1.75 1.61 0.00 -0.55 0.00 0.00 41.25 40.42 1gqo s ASN 73 CO -0.01 -0.34 2.07 -0.81 -2.79 0.00 0.00 177.10 175.22 1gqo n PRO 74 N 3.56 0.94 0.00 0.43 -0.04 -1.26 0.10 135.00 138.73 1gqo n PRO 74 Ca 0.05 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1gqo n PRO 74 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.12 1.11 0.18 0.55 0.00 -1.26 -2.94 105.19 103.95 1gqo n GLY 75 Ca 0.20 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.79 1.00 -0.00 4.61 0.00 -1.95 -2.60 119.26 119.52 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 0.01 -0.07 0.00 0.00 0.00 179.25 179.19 1gqo h LEU 77 N 0.00 0.00 -1.17 0.00 3.38 -1.90 -1.01 115.31 114.62 1gqo h LEU 77 Ca 0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.26 1gqo h LEU 77 Cb 0.33 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.96 1gqo h LEU 77 CO 0.00 0.00 0.64 -1.28 0.09 0.00 0.00 178.44 177.89 1gqo h SER 78 N 0.00 0.53 -0.06 -0.43 0.87 -1.65 0.15 113.55 112.96 1gqo h SER 78 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1gqo h SER 78 Cb 0.01 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1gqo h SER 78 CO -0.00 0.02 0.00 1.41 -0.53 0.00 0.00 176.83 177.73 1gqo n HIS 79 N -4.81 0.06 -0.38 2.24 8.25 -0.38 0.18 115.22 120.39 1gqo n HIS 79 Ca 0.28 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1gqo n HIS 79 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 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 0.33 0.00 -2.46 4.41 0.18 -0.92 -4.68 117.16 114.01 1gqo n TYR 80 Ca 0.18 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.58 1gqo n TYR 80 Cb 0.37 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.30 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 6.23 0.47 9.48 0.15 -0.01 -4.72 113.70 125.31 1gqo s SER 81 Ca 0.00 -1.25 0.27 0.00 0.70 0.00 0.00 55.95 55.67 1gqo s SER 81 Cb 0.00 -2.57 0.90 0.00 -1.71 0.00 0.00 66.02 62.64 1gqo s SER 81 CO 0.00 -1.75 1.81 1.88 1.20 0.00 0.00 173.24 176.38 1gqo h TYR 82 N 10.13 0.00 -0.13 3.44 0.99 -1.91 -2.57 116.97 126.92 1gqo h TYR 82 Ca 0.16 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.77 1gqo h TYR 82 Cb 1.01 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.73 1gqo h TYR 82 CO 1.26 0.10 -0.44 0.00 -0.00 0.00 0.00 178.16 179.07 1gqo h ALA 83 N 1.90 1.01 -0.08 3.88 0.00 -1.99 -1.15 119.26 122.83 1gqo h ALA 83 Ca -0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 54.26 1gqo h ALA 83 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gqo h ALA 83 CO 0.01 0.63 -0.80 0.82 0.00 0.00 0.00 179.25 179.90 1gqo h ILE 84 N 0.25 1.34 -0.32 0.00 2.04 -1.88 -2.00 117.51 116.94 1gqo h ILE 84 Ca 0.02 -2.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 1gqo h ILE 84 Cb 0.89 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1gqo h ILE 84 CO 0.07 0.66 0.18 -0.09 0.00 0.00 0.00 178.15 178.97 1gqo h ARG 85 N 0.36 0.45 -0.15 2.37 2.43 -1.19 -1.22 114.38 117.42 1gqo h ARG 85 Ca -0.05 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 1gqo h ARG 85 Cb 1.41 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1gqo h ARG 85 CO 0.15 0.37 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.30 1gqo h ASP 86 N 0.41 0.26 -0.75 -3.80 5.19 -1.14 -2.12 116.42 114.47 1gqo h ASP 86 Ca 0.11 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 1gqo h ASP 86 Cb 0.05 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.45 1gqo h ASP 86 CO -0.02 0.51 0.30 0.00 -3.12 0.00 0.00 179.24 176.92 1gqo h ALA 87 N 1.51 0.97 -0.23 3.45 0.00 -0.80 -1.46 119.26 122.70 1gqo h ALA 87 Ca 0.04 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1gqo h ALA 87 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1gqo h ALA 87 CO 0.04 0.59 -0.33 0.28 0.00 0.00 0.00 179.25 179.82 1gqo h VAL 88 N 1.07 1.29 -0.08 0.00 2.07 -0.67 -2.71 116.25 117.22 1gqo h VAL 88 Ca 0.25 -1.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 1gqo h VAL 88 Cb 0.21 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1gqo h VAL 88 CO -0.02 0.45 -0.48 0.28 0.02 0.00 0.00 177.57 177.82 1gqo h SER 89 N 0.42 0.21 0.06 0.57 0.02 -0.94 -3.11 113.55 110.78 1gqo h SER 89 Ca 0.05 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1gqo h SER 89 Cb 0.79 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1gqo h SER 89 CO 0.06 0.66 0.00 -1.54 -1.14 0.00 0.00 176.83 174.87 1gqo n SER 90 N -3.96 0.00 -4.52 3.07 3.41 -0.59 -4.82 113.62 106.20 1gqo n SER 90 Ca -0.02 -0.86 -0.24 0.00 -0.26 0.00 0.00 58.87 57.49 1gqo n SER 90 Cb 0.53 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 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 -2.06 2.52 -0.53 -1.33 -4.36 -1.18 -5.06 121.20 109.20 1gqo s ILE 91 Ca 0.43 -2.27 0.23 0.00 -0.26 0.00 0.00 60.65 58.79 1gqo s ILE 91 Cb 0.21 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1gqo s ILE 91 CO 0.36 -0.33 1.12 -1.54 0.24 0.00 0.00 174.94 174.79 1gqo n SER 92 N -0.72 0.66 -4.76 4.36 3.41 -1.26 -4.94 113.62 110.37 1gqo n SER 92 Ca -0.05 0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.22 1gqo n SER 92 Cb 0.61 0.55 0.03 0.00 -0.26 0.00 0.00 64.21 65.14 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 -4.32 3.64 0.14 1.04 1.43 -1.26 -5.01 118.68 114.35 1gqo s LEU 93 Ca 0.03 2.29 -0.30 0.00 -1.03 0.00 0.00 54.13 55.12 1gqo s LEU 93 Cb 0.13 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.69 1gqo s LEU 93 CO 0.77 -1.53 1.15 -2.16 0.23 0.00 0.00 176.35 174.81 1gqo s PRO 94 N -3.42 4.52 -0.07 1.29 0.04 -1.26 -4.90 135.00 131.20 1gqo s PRO 94 Ca 0.75 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.60 1gqo s PRO 94 Cb -0.28 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 30.96 1gqo s PRO 94 CO 0.33 -0.06 -0.24 0.08 0.04 0.00 0.00 177.00 177.15 1gqo s VAL 95 N 0.20 2.12 -0.14 -0.36 1.01 -1.26 -1.75 120.40 120.23 1gqo s VAL 95 Ca 0.53 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1gqo s VAL 95 Cb -0.30 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1gqo s VAL 95 CO 0.34 0.57 -0.14 -0.69 0.00 0.00 0.00 175.10 175.17 1gqo s VAL 96 N -0.04 2.94 -0.18 2.92 1.01 -0.93 -0.55 120.40 125.56 1gqo s VAL 96 Ca -0.07 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1gqo s VAL 96 Cb -0.15 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1gqo s VAL 96 CO 0.05 0.52 0.19 -0.70 0.00 0.00 0.00 175.10 175.15 1gqo s GLU 97 N 0.47 4.16 -0.02 2.72 2.12 -0.66 -0.23 118.70 127.26 1gqo s GLU 97 Ca -0.10 -0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.17 1gqo s GLU 97 Cb -0.16 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1gqo s GLU 97 CO 0.05 0.31 -0.16 0.08 -0.54 0.00 0.00 175.26 175.01 1gqo s VAL 98 N 0.29 1.23 -0.01 3.70 1.01 0.14 -0.94 120.40 125.82 1gqo s VAL 98 Ca 0.11 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1gqo s VAL 98 Cb -0.12 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1gqo s VAL 98 CO 0.00 0.35 -0.11 -1.00 0.00 0.00 0.00 175.10 174.34 1gqo s HIS 99 N -0.30 1.03 -0.02 5.22 3.76 -0.49 -4.14 115.29 120.35 1gqo s HIS 99 Ca 0.05 -0.20 -0.22 0.00 -0.15 0.00 0.00 55.06 54.54 1gqo s HIS 99 Cb -0.07 -0.67 -0.24 0.00 1.11 0.00 0.00 32.58 32.71 1gqo s HIS 99 CO -0.00 -0.02 1.05 -0.07 -0.85 0.00 0.00 174.74 174.85 1gqo h LEU 100 N 5.89 0.40-10.43 0.89 4.07 -1.86 -2.31 115.31 111.96 1gqo h LEU 100 Ca -0.32 -0.78 -0.46 0.00 0.08 0.00 0.00 57.88 56.39 1gqo h LEU 100 Cb 1.17 -0.12 0.05 0.00 1.08 0.00 0.00 40.66 42.83 1gqo h LEU 100 CO 0.49 1.13 0.05 -0.94 -1.08 0.00 0.00 178.44 178.10 1gqo s SER 101 N -6.59 5.57 -0.99 -0.43 1.04 -1.26 -1.19 113.70 109.86 1gqo s SER 101 Ca -0.14 0.44 -0.22 0.00 0.48 0.00 0.00 55.95 56.50 1gqo s SER 101 Cb 0.02 -1.48 0.07 0.00 0.10 0.00 0.00 66.02 64.73 1gqo s SER 101 CO 0.79 -0.99 1.36 0.21 0.98 0.00 0.00 173.24 175.59 1gqo s ASN 102 N -4.31 6.52 0.29 7.02 3.84 -1.26 -2.33 114.94 124.71 1gqo s ASN 102 Ca 0.53 -1.57 0.03 0.00 0.21 0.00 0.00 52.86 52.06 1gqo s ASN 102 Cb -0.10 -2.53 0.69 0.00 -0.55 0.00 0.00 41.25 38.76 1gqo s ASN 102 CO 0.42 -1.40 1.74 -0.07 -2.79 0.00 0.00 177.10 174.99 1gqo h LEU 103 N 12.19 0.52 -2.24 3.21 3.38 -1.92 -2.20 115.31 128.25 1gqo h LEU 103 Ca 0.17 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1gqo h LEU 103 Cb 1.02 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1gqo h LEU 103 CO 1.34 0.13 0.00 1.88 0.09 0.00 0.00 178.44 181.89 1gqo h TYR 104 N 0.56 0.00 -0.02 1.13 -1.99 -1.88 -0.14 116.97 114.63 1gqo h TYR 104 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 1gqo h TYR 104 Cb 0.92 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.65 1gqo h TYR 104 CO -0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 178.16 177.84 1gqo n ALA 105 N -1.96 3.02 -2.24 3.88 0.00 -0.83 -4.97 120.51 117.42 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 0.08 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 0.31 3.48 -1.49 0.00 1.74 -0.07 -5.07 116.66 115.56 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 0.47 0.00 0.06 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 0.64 -0.01 5.56 4.71 -1.26 -4.89 120.64 125.38 1gqo n GLU 107 Ca 0.00 0.26 0.01 0.00 -0.01 0.00 0.00 57.16 57.42 1gqo n GLU 107 Cb 0.00 -2.03 0.33 0.00 -1.01 0.00 0.00 31.44 28.73 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 0.14 0.56 0.00 3.49 4.81 -1.96 -1.55 114.58 120.07 1gqo h GLU 108 Ca -0.47 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 1gqo h GLU 108 Cb 1.36 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 1gqo h GLU 108 CO 0.48 0.50 -0.13 0.27 -0.73 0.00 0.00 179.01 179.40 1gqo h PHE 109 N 0.55 0.00 -0.04 0.92 -5.15 -1.97 -1.76 116.94 109.50 1gqo h PHE 109 Ca 0.13 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.90 1gqo h PHE 109 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.35 1gqo h PHE 109 CO 0.01 0.13 0.00 0.54 -2.00 0.00 0.00 178.31 176.99 1gqo n ARG 110 N -3.92 1.20 -0.03 6.09 1.74 -0.58 -3.94 116.66 117.21 1gqo n ARG 110 Ca -0.02 -0.30 0.12 0.00 -0.77 0.00 0.00 57.85 56.88 1gqo n ARG 110 Cb 0.22 -1.36 0.52 0.00 -1.02 0.00 0.00 32.46 30.83 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 -0.52 0.08 -4.30 -1.55 8.25 -0.66 -4.67 115.22 111.85 1gqo n HIS 111 Ca 0.16 -0.04 -0.18 0.00 -0.26 0.00 0.00 57.72 57.40 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 -1.92 0.74 -0.12 -0.41 0.00 -1.25 -5.01 119.66 111.69 1gqo s GLN 112 Ca 0.36 -0.53 -0.00 0.00 -0.00 0.00 0.00 55.36 55.18 1gqo s GLN 112 Cb 0.19 -0.70 -0.02 0.00 0.00 0.00 0.00 33.01 32.48 1gqo s GLN 112 CO 0.30 0.18 -0.11 0.45 0.00 0.00 0.00 175.29 176.10 1gqo s SER 113 N -0.74 4.18 0.01 12.60 0.15 -1.26 -4.23 113.70 124.40 1gqo s SER 113 Ca 0.01 -0.27 0.26 0.00 0.70 0.00 0.00 55.95 56.64 1gqo s SER 113 Cb -0.06 -1.56 0.61 0.00 -1.71 0.00 0.00 66.02 63.30 1gqo s SER 113 CO 0.00 0.19 1.49 1.33 1.20 0.00 0.00 173.24 177.45 1gqo n VAL 114 N 3.37 0.03 -0.06 4.45 0.24 0.13 -3.95 118.33 122.54 1gqo n VAL 114 Ca -0.18 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 1gqo n VAL 114 Cb 0.53 0.10 -0.15 0.00 -1.47 0.00 0.00 33.84 32.85 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 -1.56 1.53 -0.29 1.34 5.41 -1.26 -4.57 119.36 119.97 1gqo n ILE 115 Ca 0.06 -0.78 0.03 0.00 1.00 0.00 0.00 62.75 63.06 1gqo n ILE 115 Cb 0.35 -0.94 0.17 0.00 -0.71 0.00 0.00 39.64 38.51 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 0.77 1.17 -1.13 -1.39 0.00 -1.92 -2.75 119.26 114.02 1gqo h ALA 116 Ca -0.44 0.04 0.31 0.00 0.00 0.00 0.00 54.91 54.82 1gqo h ALA 116 Cb 2.10 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.69 1gqo h ALA 116 CO 0.04 0.06 0.74 -1.35 0.00 0.00 0.00 179.25 178.75 1gqo h PRO 117 N 0.76 0.25 -0.21 0.00 0.11 -1.80 -1.99 132.00 129.11 1gqo h PRO 117 Ca 0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1gqo h PRO 117 Cb 0.40 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1gqo h PRO 117 CO -0.26 0.16 0.00 1.33 -0.21 0.00 0.00 178.00 179.02 1gqo n VAL 118 N -4.54 0.35 -3.03 3.15 0.24 -1.04 -5.01 118.33 108.45 1gqo n VAL 118 Ca 0.28 -0.67 -0.19 0.00 -2.04 0.00 0.00 64.34 61.71 1gqo n VAL 118 Cb 1.06 1.06 0.06 0.00 -1.47 0.00 0.00 33.84 34.55 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 -1.30 4.69 0.26 2.33 0.00 -0.75 -4.72 121.76 122.26 1gqo s ALA 119 Ca 0.26 -2.10 0.03 0.00 0.00 0.00 0.00 51.96 50.16 1gqo s ALA 119 Cb 0.16 -1.48 0.35 0.00 0.00 0.00 0.00 23.12 22.14 1gqo s ALA 119 CO 0.23 -0.81 1.65 0.87 0.00 0.00 0.00 175.76 177.70 1gqo h LYS 120 N 0.22 0.37 0.00 0.00 1.79 -1.11 -3.49 116.57 114.34 1gqo h LYS 120 Ca -0.31 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1gqo h LYS 120 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1gqo h LYS 120 CO 0.41 0.73 0.00 0.41 -1.08 0.00 0.00 179.45 179.92 1gqo n GLY 121 N -0.09 -1.24 2.98 3.86 0.00 -1.25 -5.07 105.19 104.38 1gqo n GLY 121 Ca -0.02 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.89 0.25 -0.09 1.61 0.74 -1.26 -1.66 119.66 118.36 1gqo s GLN 122 Ca 0.00 -0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.09 1gqo s GLN 122 Cb 0.00 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.22 1gqo s GLN 122 CO 0.00 -0.05 -0.14 0.42 -0.55 0.00 0.00 175.29 174.98 1gqo s ILE 123 N -0.92 1.30 -0.02 -2.34 1.01 -0.11 -4.96 121.20 115.15 1gqo s ILE 123 Ca -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1gqo s ILE 123 Cb -0.06 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1gqo s ILE 123 CO -0.00 0.40 -0.02 -0.69 0.00 0.00 0.00 174.94 174.62 1gqo s VAL 124 N 0.84 0.27 0.00 2.92 1.01 -1.26 -1.39 120.40 122.79 1gqo s VAL 124 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1gqo s VAL 124 Cb -0.15 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1gqo s VAL 124 CO 0.01 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1gqo n GLY 125 N 3.63 0.77 1.65 4.51 0.00 -0.87 -4.83 105.19 110.06 1gqo n GLY 125 Ca -0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 5.34 0.00 0.99 4.77 -1.22 -4.54 117.00 122.34 1gqo n LEU 126 Ca 0.00 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 1gqo n LEU 126 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1gqo n LEU 126 CO 0.00 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1gqo n GLY 127 N -0.04 0.38 0.25 -0.72 0.00 -0.33 -3.41 105.19 101.32 1gqo n GLY 127 Ca 0.31 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.71 1.00 -0.24 4.61 0.00 -1.85 -1.33 119.26 120.74 1gqo h ALA 128 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1gqo h ALA 128 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gqo h ALA 128 CO 0.00 0.00 0.18 1.49 0.00 0.00 0.00 179.25 180.92 1gqo h GLU 129 N 0.00 0.00 -0.55 0.00 4.57 -1.97 -1.96 114.58 114.67 1gqo h GLU 129 Ca 0.00 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1gqo h GLU 129 Cb 0.34 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 1gqo h GLU 129 CO 0.00 0.00 0.37 0.78 -1.18 0.00 0.00 179.01 178.98 1gqo h GLY 130 N 0.00 0.56 1.00 1.92 0.00 -1.33 0.35 103.07 105.57 1gqo h GLY 130 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1gqo h GLY 130 CO -0.00 0.12 0.40 -0.97 0.00 0.00 0.00 176.54 176.09 1gqo h TYR 131 N 0.43 0.90 -0.23 5.60 -1.99 -1.55 -2.07 116.97 118.06 1gqo h TYR 131 Ca 0.24 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.93 1gqo h TYR 131 Cb 0.41 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1gqo h TYR 131 CO -0.00 0.62 -0.02 0.87 -0.00 0.00 0.00 178.16 179.62 1gqo h LYS 132 N 0.92 0.42 -0.74 4.88 1.57 -1.11 -0.88 116.57 121.64 1gqo h LYS 132 Ca 0.24 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1gqo h LYS 132 Cb -0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 1gqo h LYS 132 CO -0.04 0.62 0.47 -0.07 -0.57 0.00 0.00 179.45 179.86 1gqo h LEU 133 N 0.17 0.76 -0.25 2.94 3.38 -1.26 -0.57 115.31 120.49 1gqo h LEU 133 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1gqo h LEU 133 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1gqo h LEU 133 CO 0.02 0.52 -0.01 0.00 0.09 0.00 0.00 178.44 179.06 1gqo h ALA 134 N 1.32 0.34 -0.64 1.53 0.00 -1.23 -0.30 119.26 120.28 1gqo h ALA 134 Ca 0.30 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1gqo h ALA 134 Cb 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1gqo h ALA 134 CO -0.12 0.08 0.31 0.28 0.00 0.00 0.00 179.25 179.81 1gqo h VAL 135 N 0.21 0.88 -0.62 0.00 2.07 -0.80 -1.58 116.25 116.41 1gqo h VAL 135 Ca 0.07 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1gqo h VAL 135 Cb 0.44 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1gqo h VAL 135 CO 0.02 0.10 0.41 0.03 0.02 0.00 0.00 177.57 178.14 1gqo h ARG 136 N 0.56 0.80 0.04 1.57 3.08 -0.49 -0.87 114.38 119.07 1gqo h ARG 136 Ca 0.30 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1gqo h ARG 136 Cb 0.28 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1gqo h ARG 136 CO -0.23 0.53 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.23 1gqo h TYR 137 N 0.83 -0.11 -0.83 3.04 3.20 -0.84 0.87 116.97 123.12 1gqo h TYR 137 Ca 0.23 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.22 1gqo h TYR 137 Cb -0.08 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.15 1gqo h TYR 137 CO -0.03 -0.07 0.45 -0.07 -1.64 0.00 0.00 178.16 176.79 1gqo h LEU 138 N -0.10 0.58 -0.04 2.82 4.07 -0.92 -1.90 115.31 119.83 1gqo h LEU 138 Ca 0.00 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1gqo h LEU 138 Cb 0.10 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1gqo h LEU 138 CO -0.01 0.29 -0.17 -0.07 -1.08 0.00 0.00 178.44 177.40 1gqo h LEU 139 N 0.69 0.21 -1.37 1.67 3.38 -0.26 -3.12 115.31 116.51 1gqo h LEU 139 Ca 0.43 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1gqo h LEU 139 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1gqo h LEU 139 CO -0.31 0.83 0.37 0.77 0.09 0.00 0.00 178.44 180.19 1gqo h SER 140 N -0.40 0.00 -0.02 -0.43 4.64 0.13 -3.51 113.55 113.95 1gqo h SER 140 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1gqo h SER 140 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1gqo h SER 140 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99