#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 2.39 0.20 0.54 2.46 -1.26 -1.13 115.29 118.49 1gqo s HIS 2 Ca 0.00 -1.11 0.09 0.00 0.47 0.00 0.00 55.06 54.50 1gqo s HIS 2 Cb 0.00 -1.64 -0.04 0.00 -0.13 0.00 0.00 32.58 30.77 1gqo s HIS 2 CO 0.00 -0.51 -0.06 -0.06 -2.47 0.00 0.00 174.74 171.64 1gqo s PHE 3 N 0.73 2.67 -0.20 3.88 2.99 -0.50 -1.24 117.98 126.31 1gqo s PHE 3 Ca -0.10 -0.21 -0.07 0.00 0.00 0.00 0.00 56.93 56.54 1gqo s PHE 3 Cb -0.16 -1.28 -0.04 0.00 0.00 0.00 0.00 43.02 41.55 1gqo s PHE 3 CO 0.01 0.54 0.06 -1.17 -0.00 0.00 0.00 175.22 174.66 1gqo s LEU 4 N -3.02 3.68 -0.42 -0.37 0.20 -0.93 -1.37 118.68 116.45 1gqo s LEU 4 Ca 0.27 -0.01 -0.10 0.00 0.69 0.00 0.00 54.13 54.98 1gqo s LEU 4 Cb -0.08 -1.94 0.07 0.00 -0.43 0.00 0.00 46.19 43.81 1gqo s LEU 4 CO 0.17 0.12 0.26 -0.63 -0.29 0.00 0.00 176.35 175.98 1gqo s ILE 5 N 0.69 4.30 -0.24 6.68 -1.09 0.08 -1.51 121.20 130.12 1gqo s ILE 5 Ca 0.03 -1.35 -0.08 0.00 -2.23 0.00 0.00 60.65 57.03 1gqo s ILE 5 Cb -0.13 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1gqo s ILE 5 CO 0.02 -0.49 0.08 -0.22 -1.23 0.00 0.00 174.94 173.10 1gqo s LEU 6 N 1.44 3.59 -0.08 2.97 0.20 0.10 -1.71 118.68 125.19 1gqo s LEU 6 Ca 0.03 -0.12 0.04 0.00 0.69 0.00 0.00 54.13 54.77 1gqo s LEU 6 Cb -0.23 -1.95 -0.01 0.00 -0.43 0.00 0.00 46.19 43.57 1gqo s LEU 6 CO 0.03 0.01 -0.22 0.20 -0.29 0.00 0.00 176.35 176.08 1gqo s ASN 7 N 1.35 3.34 0.18 3.68 0.01 0.32 -1.68 114.94 122.13 1gqo s ASN 7 Ca 0.05 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1gqo s ASN 7 Cb -0.15 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.38 1gqo s ASN 7 CO 0.04 0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.46 1gqo n GLY 8 N 3.14 1.01 3.63 0.66 0.00 0.66 -1.47 105.19 112.81 1gqo n GLY 8 Ca -0.18 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 1gqo n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gqo n PRO 9 N -0.58 1.58 -0.09 1.61 -0.01 -0.97 -2.71 135.00 133.83 1gqo n PRO 9 Ca 0.00 0.56 0.00 0.00 -0.01 0.00 0.00 63.50 64.05 1gqo n PRO 9 Cb 0.00 -2.04 0.00 0.00 -0.01 0.00 0.00 33.50 31.45 1gqo n PRO 9 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1gqo n ASN 10 N 0.89 0.00 0.23 2.55 3.02 -1.26 -4.52 115.26 116.17 1gqo n ASN 10 Ca 0.08 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.71 1gqo n ASN 10 Cb 0.35 -0.91 0.57 0.00 -0.61 0.00 0.00 39.78 39.18 1gqo n ASN 10 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1gqo h VAL 11 N 0.00 0.86 0.00 2.41 2.07 -1.89 -0.70 116.25 119.00 1gqo h VAL 11 Ca 0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1gqo h VAL 11 Cb 0.00 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1gqo h VAL 11 CO 0.00 0.19 0.00 -0.55 0.02 0.00 0.00 177.57 177.23 1gqo h ASN 12 N 0.00 0.00 -0.23 0.57 -1.07 -1.88 -2.64 115.58 110.33 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 0.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.68 1gqo h ASN 12 CO 0.03 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.07 1gqo n ARG 13 N -2.52 2.06 -1.66 4.14 5.12 -0.27 -4.70 116.66 118.83 1gqo n ARG 13 Ca 0.00 -1.59 -0.55 0.00 -1.93 0.00 0.00 57.85 53.79 1gqo n ARG 13 Cb 0.17 -1.45 -0.07 0.00 -1.16 0.00 0.00 32.46 29.96 1gqo n ARG 13 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1gqo n LEU 14 N 0.82 2.10 0.00 0.55 7.94 -1.00 -2.25 117.00 125.17 1gqo n LEU 14 Ca 0.17 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.16 1gqo n LEU 14 Cb 0.45 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1gqo n LEU 14 CO 0.14 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.35 1gqo n GLY 15 N 3.47 2.81 0.00 -3.96 0.00 -1.25 -4.26 105.19 101.99 1gqo n GLY 15 Ca 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1gqo n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqo n SER 16 N 0.45 0.00 0.00 1.61 3.41 -0.96 -4.90 113.62 113.24 1gqo n SER 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1gqo n SER 16 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1gqo n SER 16 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gqo n ARG 17 N -0.05 0.16 -0.04 4.33 1.85 -1.26 -5.20 116.66 116.45 1gqo n ARG 17 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 1gqo n ARG 17 Cb 0.00 -0.01 -0.03 0.00 -1.05 0.00 0.00 32.46 31.37 1gqo n ARG 17 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1gqo n ARG 24 N 0.00 0.17 -1.84 2.89 3.00 -1.26 -5.23 116.66 114.39 1gqo n ARG 24 Ca 0.00 0.06 -0.37 0.00 -0.01 0.00 0.00 57.85 57.53 1gqo n ARG 24 Cb 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 32.46 31.59 1gqo n ARG 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1gqo s GLN 25 N -2.15 2.73 0.54 5.56 -2.07 -1.26 -4.75 119.66 118.25 1gqo s GLN 25 Ca -0.11 2.00 0.02 0.00 -1.82 0.00 0.00 55.36 55.45 1gqo s GLN 25 Cb 0.04 -1.90 0.03 0.00 -1.09 0.00 0.00 33.01 30.09 1gqo s GLN 25 CO 0.15 -1.44 0.75 0.95 -1.32 0.00 0.00 175.29 174.38 1gqo s THR 26 N -1.45 2.71 0.24 3.63 -4.23 -1.26 -3.90 115.64 111.39 1gqo s THR 26 Ca 0.80 -0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1gqo s THR 26 Cb -0.35 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 70.65 1gqo s THR 26 CO 0.38 -0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.52 1gqo h LEU 27 N 0.14 0.99 -0.20 4.79 5.85 -1.81 -1.89 115.31 123.18 1gqo h LEU 27 Ca -0.42 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 1gqo h LEU 27 Cb 1.29 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1gqo h LEU 27 CO 0.51 0.88 0.12 0.74 -0.34 0.00 0.00 178.44 180.35 1gqo h THR 28 N 1.05 1.09 -0.34 1.05 2.02 -1.94 -0.37 112.91 115.47 1gqo h THR 28 Ca 0.24 -0.23 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1gqo h THR 28 Cb 0.20 0.88 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 1gqo h THR 28 CO -0.02 0.09 -0.24 0.44 0.37 0.00 0.00 175.52 176.15 1gqo h ASP 29 N 0.23 -0.80 -0.50 4.18 3.32 -1.77 -1.92 116.42 119.17 1gqo h ASP 29 Ca 0.07 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1gqo h ASP 29 Cb 0.04 0.39 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 1gqo h ASP 29 CO -0.01 -0.27 0.29 0.40 -1.72 0.00 0.00 179.24 177.93 1gqo h ILE 30 N -0.20 1.16 -0.45 0.35 2.04 -1.01 -1.60 117.51 117.80 1gqo h ILE 30 Ca 0.17 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1gqo h ILE 30 Cb 0.47 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1gqo h ILE 30 CO -0.45 0.18 -0.10 -0.33 0.00 0.00 0.00 178.15 177.44 1gqo h GLU 31 N 0.73 0.81 -0.45 2.37 5.08 -0.34 -1.51 114.58 121.27 1gqo h GLU 31 Ca 0.19 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1gqo h GLU 31 Cb 0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1gqo h GLU 31 CO -0.03 0.88 0.09 1.15 -1.00 0.00 0.00 179.01 180.10 1gqo h THR 32 N 0.73 1.24 -0.63 1.13 2.02 -0.89 -1.11 112.91 115.41 1gqo h THR 32 Ca 0.12 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 1gqo h THR 32 Cb 0.59 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1gqo h THR 32 CO 0.04 0.30 0.26 0.44 0.37 0.00 0.00 175.52 176.93 1gqo h ASP 33 N 0.60 0.87 0.16 4.18 3.32 -1.14 -1.93 116.42 122.48 1gqo h ASP 33 Ca 0.14 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1gqo h ASP 33 Cb 0.35 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1gqo h ASP 33 CO 0.01 0.80 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.94 1gqo h LEU 34 N 0.89 0.25 0.20 1.55 3.38 -1.15 -0.13 115.31 120.29 1gqo h LEU 34 Ca 0.21 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gqo h LEU 34 Cb 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1gqo h LEU 34 CO -0.02 0.57 -0.09 0.15 0.09 0.00 0.00 178.44 179.13 1gqo h PHE 35 N 0.22 -0.24 -0.61 1.13 3.57 -0.75 0.34 116.94 120.60 1gqo h PHE 35 Ca 0.03 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.64 1gqo h PHE 35 Cb 0.68 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 1gqo h PHE 35 CO 0.01 -0.07 0.11 1.96 -2.23 0.00 0.00 178.31 178.09 1gqo h GLN 36 N -0.36 0.22 -0.44 1.11 4.20 -0.82 -0.62 115.11 118.39 1gqo h GLN 36 Ca -0.03 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1gqo h GLN 36 Cb 0.28 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1gqo h GLN 36 CO 0.04 0.15 -0.18 0.35 -0.67 0.00 0.00 178.83 178.53 1gqo h PHE 37 N 0.23 0.97 -0.03 2.96 3.57 -0.58 -1.60 116.94 122.47 1gqo h PHE 37 Ca 0.32 -0.21 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1gqo h PHE 37 Cb 0.50 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1gqo h PHE 37 CO -0.27 0.97 0.01 0.00 -2.23 0.00 0.00 178.31 176.79 1gqo h ALA 38 N 1.03 0.04 -0.14 2.41 0.00 0.62 -1.40 119.26 121.82 1gqo h ALA 38 Ca 0.11 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 38 Cb 0.71 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1gqo h ALA 38 CO 0.05 -0.40 -0.15 0.93 0.00 0.00 0.00 179.25 179.68 1gqo h GLU 39 N -0.08 -0.17 -0.67 0.00 3.07 -1.15 -0.37 114.58 115.21 1gqo h GLU 39 Ca 0.01 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.08 1gqo h GLU 39 Cb 0.12 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1gqo h GLU 39 CO -0.00 -0.11 0.50 0.00 -1.40 0.00 0.00 179.01 177.99 1gqo h ALA 40 N 0.89 2.60 -0.47 3.43 0.00 -0.89 -0.59 119.26 124.23 1gqo h ALA 40 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gqo h ALA 40 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gqo h ALA 40 CO -0.25 -0.84 0.00 1.28 0.00 0.00 0.00 179.25 179.44 1gqo n LEU 41 N -4.25 3.43 -2.74 0.00 4.77 -0.36 -4.96 117.00 112.88 1gqo n LEU 41 Ca 0.13 -2.10 -0.20 0.00 -0.03 0.00 0.00 56.01 53.80 1gqo n LEU 41 Cb 0.76 -0.35 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1gqo n LEU 41 CO 0.37 0.81 -0.01 1.41 -1.33 0.00 0.00 177.39 178.63 1gqo n HIS 42 N 0.81 -1.76 -4.40 -1.77 8.25 -0.23 -5.00 115.22 111.12 1gqo n HIS 42 Ca 0.17 0.45 -0.24 0.00 -0.26 0.00 0.00 57.72 57.85 1gqo n HIS 42 Cb 0.55 -4.20 -0.09 0.00 1.12 0.00 0.00 29.99 27.37 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 -3.12 2.88 0.00 1.59 -4.36 -0.29 -4.28 121.20 113.62 1gqo s ILE 43 Ca 0.26 -2.20 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 1gqo s ILE 43 Cb -0.12 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 1gqo s ILE 43 CO 0.32 -0.39 -0.00 -1.10 0.24 0.00 0.00 174.94 174.01 1gqo s GLN 44 N -3.58 2.77 0.02 0.37 -0.21 -0.28 -4.16 119.66 114.59 1gqo s GLN 44 Ca 0.31 -0.62 0.04 0.00 0.02 0.00 0.00 55.36 55.10 1gqo s GLN 44 Cb -0.06 -2.66 -0.02 0.00 1.00 0.00 0.00 33.01 31.28 1gqo s GLN 44 CO 0.17 0.62 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.33 1gqo s LEU 45 N -1.57 2.11 -0.08 2.90 1.43 -1.26 -1.41 118.68 120.81 1gqo s LEU 45 Ca 0.20 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1gqo s LEU 45 Cb -0.11 -0.53 -0.00 0.00 0.03 0.00 0.00 46.19 45.57 1gqo s LEU 45 CO 0.10 0.05 -0.21 -0.89 0.23 0.00 0.00 176.35 175.64 1gqo s THR 46 N -0.62 1.79 -0.13 5.49 2.01 -0.47 -4.97 115.64 118.73 1gqo s THR 46 Ca 0.02 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1gqo s THR 46 Cb -0.06 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1gqo s THR 46 CO 0.00 0.50 0.05 -0.36 -0.69 0.00 0.00 174.62 174.12 1gqo s PHE 47 N 0.25 3.28 -0.05 4.92 0.40 -1.26 -0.74 117.98 124.78 1gqo s PHE 47 Ca -0.13 0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1gqo s PHE 47 Cb -0.16 -1.92 0.03 0.00 0.51 0.00 0.00 43.02 41.48 1gqo s PHE 47 CO 0.06 0.41 0.12 0.12 0.70 0.00 0.00 175.22 176.63 1gqo s PHE 48 N -0.46 -0.13 -0.03 0.36 5.36 -0.70 -4.96 117.98 117.42 1gqo s PHE 48 Ca 0.09 0.38 0.05 0.00 -0.96 0.00 0.00 56.93 56.50 1gqo s PHE 48 Cb -0.12 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.49 1gqo s PHE 48 CO 0.02 -0.12 -0.20 -1.14 -1.46 0.00 0.00 175.22 172.32 1gqo s GLN 49 N 0.80 1.85 -0.02 10.12 -0.44 -1.26 -0.53 119.66 130.18 1gqo s GLN 49 Ca -0.06 -0.70 -0.18 0.00 -2.50 0.00 0.00 55.36 51.92 1gqo s GLN 49 Cb -0.08 -1.66 0.03 0.00 -1.64 0.00 0.00 33.01 29.66 1gqo s GLN 49 CO -0.04 0.34 0.38 0.45 0.50 0.00 0.00 175.29 176.93 1gqo s SER 50 N -0.20 -0.28 0.00 6.67 0.15 -0.54 -4.99 113.70 114.51 1gqo s SER 50 Ca 0.01 0.21 0.28 0.00 0.70 0.00 0.00 55.95 57.15 1gqo s SER 50 Cb -0.10 0.36 1.16 0.00 -1.71 0.00 0.00 66.02 65.73 1gqo s SER 50 CO 0.01 -0.47 1.81 0.59 1.20 0.00 0.00 173.24 176.38 1gqo n ASN 51 N 1.22 0.89 -4.61 5.45 3.02 -1.26 -2.29 115.26 117.68 1gqo n ASN 51 Ca -0.21 -1.04 -0.39 0.00 -0.03 0.00 0.00 54.58 52.91 1gqo n ASN 51 Cb 0.56 0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 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 -2.24 3.26 0.27 3.10 3.76 -1.26 -4.67 115.29 117.50 1gqo s HIS 52 Ca 0.34 0.49 -0.02 0.00 -0.15 0.00 0.00 55.06 55.72 1gqo s HIS 52 Cb 0.20 -2.61 0.58 0.00 1.11 0.00 0.00 32.58 31.86 1gqo s HIS 52 CO 0.42 -0.23 1.67 1.49 -0.85 0.00 0.00 174.74 177.24 1gqo h GLU 53 N 8.08 0.25 -0.78 1.40 4.81 -2.01 -1.85 114.58 124.48 1gqo h GLU 53 Ca -0.31 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1gqo h GLU 53 Cb 1.16 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1gqo h GLU 53 CO 0.67 0.16 0.52 0.78 -0.73 0.00 0.00 179.01 180.41 1gqo h GLY 54 N 0.26 1.10 1.10 1.92 0.00 -1.99 -1.97 103.07 103.48 1gqo h GLY 54 Ca 0.48 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 47.28 1gqo h GLY 54 CO -0.58 0.36 -0.25 -0.55 0.00 0.00 0.00 176.54 175.53 1gqo h ASP 55 N 1.01 1.01 -0.28 0.19 3.32 -1.75 -1.50 116.42 118.41 1gqo h ASP 55 Ca 0.30 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1gqo h ASP 55 Cb -0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1gqo h ASP 55 CO -0.08 1.20 0.09 -0.07 -1.72 0.00 0.00 179.24 178.66 1gqo h LEU 56 N 0.82 0.40 -0.28 1.55 3.38 -1.29 -1.14 115.31 118.75 1gqo h LEU 56 Ca 0.10 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1gqo h LEU 56 Cb 0.83 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1gqo h LEU 56 CO 0.07 0.49 0.06 0.40 0.09 0.00 0.00 178.44 179.55 1gqo h ILE 57 N 0.29 0.88 -0.48 1.22 2.04 -1.31 -0.06 117.51 120.09 1gqo h ILE 57 Ca 0.09 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1gqo h ILE 57 Cb 0.22 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1gqo h ILE 57 CO -0.00 0.03 0.21 0.44 0.00 0.00 0.00 178.15 178.82 1gqo h ASP 58 N 0.17 0.26 -0.63 1.72 3.32 -1.20 -1.70 116.42 118.36 1gqo h ASP 58 Ca 0.13 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1gqo h ASP 58 Cb 0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1gqo h ASP 58 CO -0.16 0.18 0.36 0.00 -1.72 0.00 0.00 179.24 177.90 1gqo h ALA 59 N 1.29 0.81 -0.03 3.45 0.00 -0.91 -1.75 119.26 122.12 1gqo h ALA 59 Ca 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1gqo h ALA 59 Cb 0.18 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1gqo h ALA 59 CO -0.19 0.32 0.01 0.82 0.00 0.00 0.00 179.25 180.21 1gqo h ILE 60 N 0.86 1.16 -0.36 0.00 2.04 -0.53 0.00 117.51 120.69 1gqo h ILE 60 Ca 0.22 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1gqo h ILE 60 Cb 0.03 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 1gqo h ILE 60 CO -0.04 0.13 -0.10 0.45 0.00 0.00 0.00 178.15 178.59 1gqo h HIS 61 N -0.14 -0.23 0.00 1.37 3.86 -1.20 -2.54 115.15 116.27 1gqo h HIS 61 Ca 0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1gqo h HIS 61 Cb 0.20 0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1gqo h HIS 61 CO -0.01 -0.17 0.00 0.93 0.86 0.00 0.00 177.93 179.54 1gqo h GLU 62 N -0.02 0.00 -0.61 2.45 5.08 -1.04 -3.29 114.58 117.16 1gqo h GLU 62 Ca 0.18 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1gqo h GLU 62 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1gqo h GLU 62 CO -0.38 0.00 0.18 0.00 -1.00 0.00 0.00 179.01 177.81 1gqo h ALA 63 N 2.23 1.17 -1.13 3.43 0.00 -0.54 -3.18 119.26 121.23 1gqo h ALA 63 Ca 0.00 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.02 1gqo h ALA 63 Cb 0.45 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 1gqo h ALA 63 CO 0.00 0.58 0.74 1.49 0.00 0.00 0.00 179.25 182.05 1gqo h GLU 64 N 0.90 0.26 -0.35 0.00 4.57 -1.69 0.14 114.58 118.41 1gqo h GLU 64 Ca 0.20 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1gqo h GLU 64 Cb 0.27 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1gqo h GLU 64 CO -0.01 0.17 0.00 0.39 -1.18 0.00 0.00 179.01 178.39 1gqo n GLU 65 N -4.58 2.28 0.00 1.92 1.02 -1.20 -4.53 120.64 115.55 1gqo n GLU 65 Ca 0.28 -1.95 0.00 0.00 -0.02 0.00 0.00 57.16 55.48 1gqo n GLU 65 Cb 1.06 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.00 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 1.15 2.09 -4.57 3.49 7.27 0.19 -5.13 117.38 121.87 1gqo n GLN 66 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.99 1gqo n GLN 66 Cb 0.52 -0.54 -0.11 0.00 2.41 0.00 0.00 30.24 32.52 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 -0.78 2.40 -1.03 3.69 1.51 0.25 -4.90 117.35 118.49 1gqo s TYR 67 Ca 0.00 -0.67 0.10 0.00 -1.01 0.00 0.00 57.07 55.49 1gqo s TYR 67 Cb 0.00 -1.61 0.20 0.00 -0.11 0.00 0.00 41.96 40.44 1gqo s TYR 67 CO 0.00 0.42 1.06 -1.13 -1.11 0.00 0.00 175.55 174.79 1gqo n SER 68 N -0.88 2.42 -3.65 2.29 3.41 -0.37 -4.72 113.62 112.12 1gqo n SER 68 Ca -0.05 -1.76 -0.02 0.00 -0.26 0.00 0.00 58.87 56.79 1gqo n SER 68 Cb 0.66 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.94 -0.05 -0.06 5.00 0.00 -1.26 -4.47 107.32 105.55 1gqo s GLY 69 Ca 0.17 2.38 0.03 0.00 0.00 0.00 0.00 44.72 47.31 1gqo s GLY 69 CO 0.14 0.86 -0.16 -0.42 0.00 0.00 0.00 173.10 173.52 1gqo s ILE 70 N -1.56 1.38 -0.36 0.90 1.01 -0.32 -2.19 121.20 120.06 1gqo s ILE 70 Ca 0.11 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 1gqo s ILE 70 Cb -0.01 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.26 1gqo s ILE 70 CO -0.05 0.41 0.20 -0.69 0.00 0.00 0.00 174.94 174.80 1gqo s VAL 71 N 0.42 4.64 -0.30 2.92 1.01 -0.57 -2.13 120.40 126.39 1gqo s VAL 71 Ca -0.12 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1gqo s VAL 71 Cb -0.15 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1gqo s VAL 71 CO 0.04 -0.14 0.05 -0.22 0.00 0.00 0.00 175.10 174.83 1gqo s LEU 72 N 1.58 3.83 -0.56 3.92 2.96 -0.16 0.01 118.68 130.26 1gqo s LEU 72 Ca 0.03 -0.92 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 1gqo s LEU 72 Cb -0.18 -1.81 0.15 0.00 0.50 0.00 0.00 46.19 44.84 1gqo s LEU 72 CO 0.07 -0.22 0.39 0.21 -1.32 0.00 0.00 176.35 175.48 1gqo s ASN 73 N 1.41 5.44 0.00 3.68 3.84 -0.68 -0.78 114.94 127.85 1gqo s ASN 73 Ca 0.00 -2.48 0.32 0.00 0.21 0.00 0.00 52.86 50.90 1gqo s ASN 73 Cb -0.18 -1.90 1.81 0.00 -0.55 0.00 0.00 41.25 40.43 1gqo s ASN 73 CO 0.01 -0.48 2.17 -0.81 -2.79 0.00 0.00 177.10 175.20 1gqo n PRO 74 N 4.03 1.07 0.00 0.43 -0.04 -1.26 -0.24 135.00 138.99 1gqo n PRO 74 Ca 0.03 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1gqo n PRO 74 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 1.02 0.11 0.07 0.55 0.00 -1.26 -2.83 105.19 102.85 1gqo n GLY 75 Ca 0.23 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 4.19 1.40 0.26 4.61 0.00 -1.26 -1.76 120.51 127.96 1gqo n ALA 76 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1gqo n ALA 76 Cb 0.00 -1.24 0.68 0.00 0.00 0.00 0.00 19.45 18.89 1gqo n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gqo h LEU 77 N 0.00 0.00 -1.04 0.00 3.38 -1.90 -1.54 115.31 114.21 1gqo h LEU 77 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1gqo h LEU 77 Cb 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1gqo h LEU 77 CO 0.00 0.00 0.63 -1.28 0.09 0.00 0.00 178.44 177.88 1gqo h SER 78 N 0.00 0.91 0.84 -0.43 0.87 -1.51 -0.57 113.55 113.67 1gqo h SER 78 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1gqo h SER 78 Cb 0.14 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1gqo h SER 78 CO 0.00 0.49 -0.02 1.41 -0.53 0.00 0.00 176.83 178.18 1gqo n HIS 79 N -4.60 0.00 -0.68 2.24 8.25 -0.58 -0.54 115.22 119.31 1gqo n HIS 79 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1gqo n HIS 79 Cb 0.35 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.43 0.00 -2.71 4.41 0.18 -1.03 -4.66 117.16 111.92 1gqo n TYR 80 Ca 0.09 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.45 1gqo n TYR 80 Cb 0.31 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.25 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 6.68 0.48 9.48 0.15 -0.25 -4.78 113.70 125.46 1gqo s SER 81 Ca 0.00 -2.02 0.27 0.00 0.70 0.00 0.00 55.95 54.90 1gqo s SER 81 Cb 0.00 -2.51 1.08 0.00 -1.71 0.00 0.00 66.02 62.88 1gqo s SER 81 CO 0.00 -1.22 1.89 1.88 1.20 0.00 0.00 173.24 176.98 1gqo h TYR 82 N 8.74 0.00 -0.58 3.44 -1.99 -1.92 -2.43 116.97 122.22 1gqo h TYR 82 Ca 0.26 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 1gqo h TYR 82 Cb 0.97 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 1gqo h TYR 82 CO 1.26 0.16 0.14 0.00 -0.00 0.00 0.00 178.16 179.72 1gqo h ALA 83 N 1.84 0.77 -0.27 3.88 0.00 -1.99 -0.53 119.26 122.95 1gqo h ALA 83 Ca -0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1gqo h ALA 83 Cb 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1gqo h ALA 83 CO 0.02 0.48 -0.58 0.82 0.00 0.00 0.00 179.25 179.99 1gqo h ILE 84 N 0.84 1.27 -0.25 0.00 2.04 -1.85 -2.65 117.51 116.91 1gqo h ILE 84 Ca 0.18 -1.76 0.06 0.00 1.00 0.00 0.00 64.86 64.34 1gqo h ILE 84 Cb 0.36 1.67 -0.08 0.00 -0.74 0.00 0.00 36.82 38.03 1gqo h ILE 84 CO 0.00 0.57 -0.40 -0.09 0.00 0.00 0.00 178.15 178.24 1gqo h ARG 85 N 0.65 -0.38 0.00 2.37 2.43 -1.22 -1.56 114.38 116.67 1gqo h ARG 85 Ca 0.01 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1gqo h ARG 85 Cb 1.19 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1gqo h ARG 85 CO 0.13 -0.26 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.75 1gqo h ASP 86 N -0.40 0.00 -0.16 -3.80 5.19 -1.03 -1.79 116.42 114.43 1gqo h ASP 86 Ca 0.11 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 1gqo h ASP 86 Cb 0.59 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1gqo h ASP 86 CO -0.46 0.14 0.04 0.00 -3.12 0.00 0.00 179.24 175.83 1gqo h ALA 87 N 1.86 0.21 -0.62 3.45 0.00 -0.97 -1.97 119.26 121.21 1gqo h ALA 87 Ca -0.00 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.84 1gqo h ALA 87 Cb 0.30 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1gqo h ALA 87 CO 0.02 -0.15 0.29 0.28 0.00 0.00 0.00 179.25 179.69 1gqo h VAL 88 N 0.06 0.87 0.00 0.00 2.07 -0.59 -1.47 116.25 117.19 1gqo h VAL 88 Ca 0.05 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1gqo h VAL 88 Cb 0.27 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1gqo h VAL 88 CO 0.00 0.10 -0.07 0.28 0.02 0.00 0.00 177.57 177.90 1gqo h SER 89 N 0.53 0.00 0.24 0.57 0.02 -0.97 -2.86 113.55 111.07 1gqo h SER 89 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1gqo h SER 89 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1gqo h SER 89 CO -0.24 0.07 -0.17 -1.54 -1.14 0.00 0.00 176.83 173.81 1gqo n SER 90 N -3.37 0.88 -4.59 3.07 3.41 -0.56 -4.86 113.62 107.61 1gqo n SER 90 Ca -0.01 -0.87 -0.25 0.00 -0.26 0.00 0.00 58.87 57.48 1gqo n SER 90 Cb 0.23 0.05 -0.08 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 -2.42 3.21 -0.52 -1.33 -4.36 -1.08 -5.06 121.20 109.65 1gqo s ILE 91 Ca 0.28 -1.86 0.23 0.00 -0.26 0.00 0.00 60.65 59.05 1gqo s ILE 91 Cb 0.20 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 1gqo s ILE 91 CO 0.48 -0.26 1.15 -1.54 0.24 0.00 0.00 174.94 175.01 1gqo n SER 92 N -0.43 0.70 -4.78 4.36 3.41 -1.26 -4.94 113.62 110.67 1gqo n SER 92 Ca -0.08 0.08 -0.33 0.00 -0.26 0.00 0.00 58.87 58.27 1gqo n SER 92 Cb 0.57 0.45 0.02 0.00 -0.26 0.00 0.00 64.21 64.99 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 -4.44 3.52 0.07 1.04 1.43 -1.26 -5.01 118.68 114.03 1gqo s LEU 93 Ca 0.03 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 1gqo s LEU 93 Cb 0.13 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1gqo s LEU 93 CO 0.76 -1.37 1.15 -2.16 0.23 0.00 0.00 176.35 174.96 1gqo s PRO 94 N -3.87 4.48 -0.06 1.29 0.04 -1.26 -4.91 135.00 130.70 1gqo s PRO 94 Ca 0.67 1.70 0.04 0.00 0.04 0.00 0.00 61.00 63.46 1gqo s PRO 94 Cb -0.20 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 1gqo s PRO 94 CO 0.36 -0.18 -0.20 0.08 0.04 0.00 0.00 177.00 177.10 1gqo s VAL 95 N 0.87 1.72 -0.14 -0.36 1.01 -1.26 -1.17 120.40 121.07 1gqo s VAL 95 Ca 0.56 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1gqo s VAL 95 Cb -0.28 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1gqo s VAL 95 CO 0.30 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 175.10 1gqo s VAL 96 N 0.15 3.37 -0.13 2.92 1.01 -0.91 -0.74 120.40 126.07 1gqo s VAL 96 Ca -0.09 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1gqo s VAL 96 Cb -0.14 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1gqo s VAL 96 CO 0.05 0.51 0.34 -0.70 0.00 0.00 0.00 175.10 175.30 1gqo s GLU 97 N 0.32 4.20 0.01 2.72 2.12 -0.36 -0.99 118.70 126.73 1gqo s GLU 97 Ca -0.08 0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.50 1gqo s GLU 97 Cb -0.15 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 1gqo s GLU 97 CO 0.05 0.30 -0.14 0.08 -0.54 0.00 0.00 175.26 175.01 1gqo s VAL 98 N 0.24 1.11 -0.05 3.70 1.01 0.04 -1.53 120.40 124.92 1gqo s VAL 98 Ca 0.20 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1gqo s VAL 98 Cb -0.14 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.31 1gqo s VAL 98 CO 0.07 0.18 0.09 -1.00 0.00 0.00 0.00 175.10 174.43 1gqo s HIS 99 N -0.56 -0.05 0.00 5.22 3.76 -0.88 -4.21 115.29 118.58 1gqo s HIS 99 Ca 0.04 0.32 -0.25 0.00 -0.15 0.00 0.00 55.06 55.02 1gqo s HIS 99 Cb -0.06 -0.25 -0.18 0.00 1.11 0.00 0.00 32.58 33.19 1gqo s HIS 99 CO 0.00 -0.16 1.33 -0.07 -0.85 0.00 0.00 174.74 175.00 1gqo h LEU 100 N 7.66 -0.08-10.40 0.89 4.07 -1.88 -2.36 115.31 113.21 1gqo h LEU 100 Ca -0.34 -0.33 -0.50 0.00 0.08 0.00 0.00 57.88 56.79 1gqo h LEU 100 Cb 1.12 0.02 0.08 0.00 1.08 0.00 0.00 40.66 42.96 1gqo h LEU 100 CO 0.35 0.30 0.40 -0.94 -1.08 0.00 0.00 178.44 177.47 1gqo s SER 101 N -5.47 5.66 -0.96 -0.43 1.04 -1.26 -0.80 113.70 111.49 1gqo s SER 101 Ca -0.15 1.36 -0.24 0.00 0.48 0.00 0.00 55.95 57.40 1gqo s SER 101 Cb 0.02 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1gqo s SER 101 CO 0.64 -1.23 1.45 0.21 0.98 0.00 0.00 173.24 175.29 1gqo s ASN 102 N -4.14 6.36 0.27 7.02 3.84 -1.26 -2.56 114.94 124.48 1gqo s ASN 102 Ca 0.57 -1.23 -0.00 0.00 0.21 0.00 0.00 52.86 52.41 1gqo s ASN 102 Cb -0.12 -2.57 0.51 0.00 -0.55 0.00 0.00 41.25 38.53 1gqo s ASN 102 CO 0.54 -1.64 1.83 -0.07 -2.79 0.00 0.00 177.10 174.97 1gqo h LEU 103 N 13.14 0.86 -1.80 3.21 3.38 -1.92 -1.62 115.31 130.56 1gqo h LEU 103 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1gqo h LEU 103 Cb 1.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1gqo h LEU 103 CO 1.39 0.47 0.00 1.88 0.09 0.00 0.00 178.44 182.27 1gqo h TYR 104 N 0.95 0.00 -0.18 1.13 0.99 -1.88 0.15 116.97 118.12 1gqo h TYR 104 Ca 0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.20 1gqo h TYR 104 Cb 0.45 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.18 1gqo h TYR 104 CO -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.14 1gqo n ALA 105 N -1.85 2.44 -2.52 3.88 0.00 -0.61 -4.97 120.51 116.88 1gqo n ALA 105 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1gqo n ALA 105 Cb 0.05 -0.83 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 1.40 3.16 -1.42 0.00 1.74 0.04 -5.07 116.66 116.51 1gqo n ARG 106 Ca 0.16 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.87 1gqo n ARG 106 Cb 0.60 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.10 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 -0.07 0.52 -0.35 5.56 4.71 -1.26 -4.89 120.64 124.86 1gqo n GLU 107 Ca 0.00 0.22 -0.00 0.00 -0.01 0.00 0.00 57.16 57.36 1gqo n GLU 107 Cb 0.00 -1.93 0.15 0.00 -1.01 0.00 0.00 31.44 28.65 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 0.01 1.23 0.00 3.49 4.81 -1.96 -1.65 114.58 120.51 1gqo h GLU 108 Ca -0.47 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1gqo h GLU 108 Cb 1.37 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1gqo h GLU 108 CO 0.46 0.81 0.00 0.27 -0.73 0.00 0.00 179.01 179.83 1gqo h PHE 109 N 1.27 0.00 -0.05 0.92 -5.15 -1.97 -1.35 116.94 110.60 1gqo h PHE 109 Ca 0.37 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.14 1gqo h PHE 109 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.10 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 1.36 0.00 6.09 1.74 -0.62 -4.04 116.66 118.29 1gqo n ARG 110 Ca -0.02 -0.54 0.14 0.00 -0.77 0.00 0.00 57.85 56.67 1gqo n ARG 110 Cb 0.12 -1.40 0.56 0.00 -1.02 0.00 0.00 32.46 30.71 1gqo n ARG 110 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gqo n HIS 111 N -0.29 0.00 -3.93 -1.55 8.25 -0.51 -4.66 115.22 112.53 1gqo n HIS 111 Ca 0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.49 1gqo n HIS 111 Cb 0.21 -0.03 -0.15 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.11 0.15 -0.19 -0.41 0.00 -1.26 -4.99 119.66 110.86 1gqo s GLN 112 Ca 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 55.36 55.66 1gqo s GLN 112 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 33.01 32.95 1gqo s GLN 112 CO 0.38 -0.03 0.04 0.45 0.00 0.00 0.00 175.29 176.12 1gqo s SER 113 N 0.36 5.32 0.00 12.60 0.15 -1.26 -4.26 113.70 126.60 1gqo s SER 113 Ca -0.03 -0.02 0.26 0.00 0.70 0.00 0.00 55.95 56.86 1gqo s SER 113 Cb -0.05 -1.91 0.74 0.00 -1.71 0.00 0.00 66.02 63.09 1gqo s SER 113 CO -0.01 0.14 1.57 1.33 1.20 0.00 0.00 173.24 177.47 1gqo n VAL 114 N 3.75 0.00 0.08 4.45 0.24 0.30 -3.85 118.33 123.30 1gqo n VAL 114 Ca -0.17 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.34 61.94 1gqo n VAL 114 Cb 0.52 0.08 -0.14 0.00 -1.47 0.00 0.00 33.84 32.82 1gqo n VAL 114 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1gqo h ILE 115 N 0.14 1.21 -0.50 1.34 2.04 -1.85 -3.40 117.51 116.49 1gqo h ILE 115 Ca 0.00 -2.81 0.03 0.00 1.00 0.00 0.00 64.86 63.07 1gqo h ILE 115 Cb 0.49 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 1gqo h ILE 115 CO 0.00 0.83 0.33 0.00 0.00 0.00 0.00 178.15 179.31 1gqo h ALA 116 N 0.44 1.74 -0.29 1.87 0.00 -1.92 -2.17 119.26 118.94 1gqo h ALA 116 Ca -0.23 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.73 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 0.18 0.21 0.20 -1.35 0.00 0.00 0.00 179.25 178.50 1gqo h PRO 117 N 0.58 0.04 -0.01 0.00 0.11 -1.79 -2.70 132.00 128.23 1gqo h PRO 117 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1gqo h PRO 117 Cb 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1gqo h PRO 117 CO -0.05 0.03 -0.29 1.33 -0.21 0.00 0.00 178.00 178.80 1gqo n VAL 118 N -4.46 0.00 -2.27 3.15 0.24 -0.82 -4.99 118.33 109.18 1gqo n VAL 118 Ca 0.04 -0.35 -0.26 0.00 -2.04 0.00 0.00 64.34 61.73 1gqo n VAL 118 Cb 0.34 1.24 0.10 0.00 -1.47 0.00 0.00 33.84 34.05 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 -1.92 3.14 0.18 2.33 0.00 -1.02 -4.79 121.76 119.68 1gqo s ALA 119 Ca 0.16 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 1gqo s ALA 119 Cb 0.14 -2.45 0.08 0.00 0.00 0.00 0.00 23.12 20.89 1gqo s ALA 119 CO 0.40 -1.57 1.68 0.87 0.00 0.00 0.00 175.76 177.13 1gqo h LYS 120 N -0.78 1.01 0.00 0.00 1.79 -1.22 -3.49 116.57 113.88 1gqo h LYS 120 Ca -0.42 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 57.79 1gqo h LYS 120 Cb 1.28 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1gqo h LYS 120 CO 0.49 0.93 0.00 0.41 -1.08 0.00 0.00 179.45 180.21 1gqo n GLY 121 N -0.60 0.50 3.35 3.86 0.00 -1.25 -5.06 105.19 105.99 1gqo n GLY 121 Ca 0.04 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1gqo n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gqo s GLN 122 N -1.94 0.58 -0.15 1.61 0.74 -1.26 -1.22 119.66 118.02 1gqo s GLN 122 Ca 0.00 0.51 0.02 0.00 0.05 0.00 0.00 55.36 55.93 1gqo s GLN 122 Cb 0.00 0.28 0.01 0.00 1.10 0.00 0.00 33.01 34.40 1gqo s GLN 122 CO 0.00 -0.09 -0.20 0.42 -0.55 0.00 0.00 175.29 174.87 1gqo s ILE 123 N -0.05 2.21 -0.02 -2.34 1.01 -0.58 -4.95 121.20 116.49 1gqo s ILE 123 Ca -0.02 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1gqo s ILE 123 Cb -0.03 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 1gqo s ILE 123 CO 0.02 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.70 1gqo s VAL 124 N 0.90 0.89 0.00 2.92 1.01 -1.26 -2.07 120.40 122.78 1gqo s VAL 124 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1gqo s VAL 124 Cb -0.15 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1gqo s VAL 124 CO -0.03 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1gqo n GLY 125 N 2.95 1.25 1.41 4.51 0.00 -0.89 -4.88 105.19 109.54 1gqo n GLY 125 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 4.12 0.00 0.99 4.77 -1.21 -4.56 117.00 121.11 1gqo n LEU 126 Ca 0.00 -2.09 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 1gqo n LEU 126 Cb 0.00 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 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 0.60 -0.22 0.34 -0.72 0.00 0.02 -3.31 105.19 101.90 1gqo n GLY 127 Ca 0.19 -0.94 0.19 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.96 1.18 0.00 4.61 0.00 -1.95 0.46 119.26 122.61 1gqo h ALA 128 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 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 -0.18 -0.06 1.49 0.00 0.00 0.00 179.25 180.50 1gqo h GLU 129 N 0.00 0.00 -0.01 0.00 4.57 -1.97 -2.32 114.58 114.84 1gqo h GLU 129 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1gqo h GLU 129 Cb 0.35 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1gqo h GLU 129 CO 0.00 0.06 -0.12 0.78 -1.18 0.00 0.00 179.01 178.56 1gqo h GLY 130 N 0.51 0.02 1.00 1.92 0.00 -0.93 -1.23 103.07 104.36 1gqo h GLY 130 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1gqo h GLY 130 CO 0.01 0.01 0.35 -0.97 0.00 0.00 0.00 176.54 175.94 1gqo h TYR 131 N 0.02 0.92 -0.18 5.60 -1.99 -1.61 0.13 116.97 119.85 1gqo h TYR 131 Ca 0.00 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1gqo h TYR 131 Cb 0.22 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.66 1gqo h TYR 131 CO 0.00 0.66 -0.12 0.87 -0.00 0.00 0.00 178.16 179.57 1gqo h LYS 132 N 0.90 0.41 -0.66 4.88 1.57 -1.39 -0.83 116.57 121.45 1gqo h LYS 132 Ca 0.23 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1gqo h LYS 132 Cb 0.06 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1gqo h LYS 132 CO -0.03 0.73 0.37 -0.07 -0.57 0.00 0.00 179.45 179.87 1gqo h LEU 133 N 0.08 0.55 -0.53 2.94 3.38 -1.07 0.68 115.31 121.34 1gqo h LEU 133 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1gqo h LEU 133 Cb 0.63 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1gqo h LEU 133 CO 0.03 0.35 0.30 0.00 0.09 0.00 0.00 178.44 179.22 1gqo h ALA 134 N 1.34 0.68 -0.63 1.53 0.00 -0.53 -1.16 119.26 120.49 1gqo h ALA 134 Ca 0.30 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1gqo h ALA 134 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1gqo h ALA 134 CO -0.18 0.19 0.30 0.28 0.00 0.00 0.00 179.25 179.84 1gqo h VAL 135 N 0.71 1.21 -0.57 0.00 2.07 -0.06 -2.01 116.25 117.61 1gqo h VAL 135 Ca 0.19 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1gqo h VAL 135 Cb 0.03 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1gqo h VAL 135 CO -0.03 0.24 -0.01 0.03 0.02 0.00 0.00 177.57 177.82 1gqo h ARG 136 N 0.89 0.99 -0.29 1.57 3.08 -0.20 -2.48 114.38 117.94 1gqo h ARG 136 Ca 0.22 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1gqo h ARG 136 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1gqo h ARG 136 CO -0.03 0.98 0.12 -0.92 -1.07 0.00 0.00 179.97 179.04 1gqo h TYR 137 N 0.90 0.45 -0.65 3.04 3.20 -1.14 -2.50 116.97 120.27 1gqo h TYR 137 Ca 0.16 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.05 1gqo h TYR 137 Cb 0.54 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 1gqo h TYR 137 CO 0.04 0.44 0.43 -0.07 -1.64 0.00 0.00 178.16 177.35 1gqo h LEU 138 N 0.32 0.62 -0.80 2.82 4.07 -0.93 -2.16 115.31 119.25 1gqo h LEU 138 Ca 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1gqo h LEU 138 Cb 0.18 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 1gqo h LEU 138 CO -0.01 0.42 0.50 -0.07 -1.08 0.00 0.00 178.44 178.20 1gqo h LEU 139 N 0.72 0.95 0.00 1.67 3.38 -1.10 -2.67 115.31 118.25 1gqo h LEU 139 Ca 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1gqo h LEU 139 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1gqo h LEU 139 CO -0.08 0.72 0.00 -1.54 0.09 0.00 0.00 178.44 177.63 1gqo n SER 140 N -4.48 0.00 -0.90 -0.43 3.41 -0.82 -5.13 113.62 105.27 1gqo n SER 140 Ca 0.08 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 1gqo n SER 140 Cb 0.04 -0.34 0.15 0.00 -0.26 0.00 0.00 64.21 63.80 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88