#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 1.80 0.10 6.00 2.46 -1.25 0.11 115.29 124.52 1gqo s HIS 2 Ca 0.00 -0.95 0.09 0.00 0.47 0.00 0.00 55.06 54.67 1gqo s HIS 2 Cb 0.00 -1.39 -0.04 0.00 -0.13 0.00 0.00 32.58 31.02 1gqo s HIS 2 CO 0.00 -0.57 -0.24 -0.06 -2.47 0.00 0.00 174.74 171.40 1gqo s PHE 3 N 1.54 2.04 -0.16 3.88 2.99 -0.79 -0.82 117.98 126.65 1gqo s PHE 3 Ca 0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 56.93 56.47 1gqo s PHE 3 Cb -0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 43.02 41.71 1gqo s PHE 3 CO -0.08 0.24 0.18 -1.17 -0.00 0.00 0.00 175.22 174.38 1gqo s LEU 4 N -1.83 4.27 -0.44 -0.37 0.20 -0.80 -1.36 118.68 118.35 1gqo s LEU 4 Ca 0.10 0.38 -0.11 0.00 0.69 0.00 0.00 54.13 55.19 1gqo s LEU 4 Cb -0.10 -2.16 0.08 0.00 -0.43 0.00 0.00 46.19 43.58 1gqo s LEU 4 CO 0.04 0.23 0.31 -0.63 -0.29 0.00 0.00 176.35 176.01 1gqo s ILE 5 N -0.04 4.54 -0.28 6.68 -1.09 0.17 -0.35 121.20 130.84 1gqo s ILE 5 Ca 0.12 -1.34 -0.08 0.00 -2.23 0.00 0.00 60.65 57.12 1gqo s ILE 5 Cb -0.12 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1gqo s ILE 5 CO 0.01 -0.56 0.11 -0.22 -1.23 0.00 0.00 174.94 173.06 1gqo s LEU 6 N 1.49 3.77 -0.08 2.97 0.20 0.31 -1.34 118.68 126.00 1gqo s LEU 6 Ca 0.03 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1gqo s LEU 6 Cb -0.24 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 1gqo s LEU 6 CO 0.03 -0.10 -0.17 0.20 -0.29 0.00 0.00 176.35 176.01 1gqo s ASN 7 N 1.62 3.71 0.35 3.68 0.01 -0.18 -1.55 114.94 122.58 1gqo s ASN 7 Ca 0.06 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1gqo s ASN 7 Cb -0.16 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.43 1gqo s ASN 7 CO 0.05 0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.51 1gqo n GLY 8 N 2.87 0.72 3.66 0.66 0.00 0.15 -1.61 105.19 111.65 1gqo n GLY 8 Ca -0.18 -1.94 -0.44 0.00 0.00 0.00 0.00 46.02 43.47 1gqo n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gqo n PRO 9 N -0.87 1.89 -0.41 1.61 -0.04 -1.06 -2.29 135.00 133.83 1gqo n PRO 9 Ca 0.00 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1gqo n PRO 9 Cb 0.00 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 1gqo n PRO 9 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1gqo n ASN 10 N 1.29 0.00 -0.01 3.54 3.02 -1.26 -4.56 115.26 117.28 1gqo n ASN 10 Ca 0.08 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.59 1gqo n ASN 10 Cb 0.33 -0.94 0.19 0.00 -0.61 0.00 0.00 39.78 38.76 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 -0.99 2.41 2.07 -1.83 -1.27 116.25 117.90 1gqo h VAL 11 Ca 0.00 -1.23 0.29 0.00 0.82 0.00 0.00 66.70 66.58 1gqo h VAL 11 Cb 0.00 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1gqo h VAL 11 CO 0.00 0.40 0.73 -0.55 0.02 0.00 0.00 177.57 178.17 1gqo h ASN 12 N 0.48 0.00 -0.35 0.57 -1.07 -1.87 -2.14 115.58 111.20 1gqo h ASN 12 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.44 1gqo h ASN 12 Cb 0.64 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1gqo h ASN 12 CO 0.05 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.09 1gqo n ARG 13 N -4.19 1.81 -1.61 4.14 5.12 -0.48 -4.69 116.66 116.77 1gqo n ARG 13 Ca 0.21 -1.27 -0.53 0.00 -1.93 0.00 0.00 57.85 54.33 1gqo n ARG 13 Cb 1.07 -1.28 -0.07 0.00 -1.16 0.00 0.00 32.46 31.03 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 0.53 2.57 0.00 0.55 4.32 -0.81 -2.91 117.00 121.25 1gqo n LEU 14 Ca 0.12 0.83 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 1gqo n LEU 14 Cb 0.30 -1.24 0.00 0.00 -1.62 0.00 0.00 43.42 40.86 1gqo n LEU 14 CO 0.08 -0.43 0.00 0.61 -1.22 0.00 0.00 177.39 176.43 1gqo n GLY 15 N 5.06 3.57 0.21 -0.72 0.00 -1.25 -4.13 105.19 107.93 1gqo n GLY 15 Ca 0.31 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.51 1gqo n GLY 15 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1gqo h SER 16 N 0.00 0.00 0.00 1.61 0.87 -1.90 -3.51 113.55 110.62 1gqo h SER 16 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1gqo h SER 16 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1gqo h SER 16 CO 0.00 0.29 -1.04 -1.14 -0.53 0.00 0.00 176.83 174.41 1gqo n ARG 17 N -3.87 0.39 0.00 2.24 0.63 -1.26 -5.24 116.66 109.56 1gqo n ARG 17 Ca -0.02 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1gqo n ARG 17 Cb 0.37 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.11 1gqo n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gqo n GLY 23 N 1.98 -1.97 0.04 5.14 0.00 -1.26 -5.12 105.19 104.00 1gqo n GLY 23 Ca -0.17 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.14 -1.44 1.61 3.00 -1.26 -4.48 116.66 114.23 1gqo n ARG 24 Ca 0.00 0.07 -0.33 0.00 -0.01 0.00 0.00 57.85 57.58 1gqo n ARG 24 Cb 0.00 -1.62 0.08 0.00 0.00 0.00 0.00 32.46 30.93 1gqo n ARG 24 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1gqo s GLN 25 N -3.07 2.29 0.40 5.56 -1.52 -1.26 -4.91 119.66 117.14 1gqo s GLN 25 Ca 0.10 1.48 0.08 0.00 -1.95 0.00 0.00 55.36 55.07 1gqo s GLN 25 Cb 0.16 -1.88 -0.03 0.00 -0.22 0.00 0.00 33.01 31.04 1gqo s GLN 25 CO 0.64 -1.67 0.29 0.95 -0.25 0.00 0.00 175.29 175.26 1gqo s THR 26 N -2.38 2.73 0.24 -0.19 -4.23 -1.26 -3.85 115.64 106.70 1gqo s THR 26 Ca 0.68 -1.48 -0.07 0.00 -1.18 0.00 0.00 61.69 59.65 1gqo s THR 26 Cb -0.23 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.82 1gqo s THR 26 CO 0.47 -0.05 1.90 0.25 -0.54 0.00 0.00 174.62 176.66 1gqo h LEU 27 N 1.22 1.04 -0.40 4.79 5.85 -1.82 -1.48 115.31 124.51 1gqo h LEU 27 Ca -0.42 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1gqo h LEU 27 Cb 1.26 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1gqo h LEU 27 CO 0.61 0.73 0.23 0.74 -0.34 0.00 0.00 178.44 180.41 1gqo h THR 28 N 1.22 1.14 -0.11 1.05 2.02 -1.94 -0.78 112.91 115.50 1gqo h THR 28 Ca 0.35 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1gqo h THR 28 Cb -0.08 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 1gqo h THR 28 CO -0.10 0.15 -0.22 0.44 0.37 0.00 0.00 175.52 176.16 1gqo h ASP 29 N 0.52 -0.68 -0.65 4.18 3.32 -1.78 -0.57 116.42 120.75 1gqo h ASP 29 Ca 0.14 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.38 1gqo h ASP 29 Cb 0.04 0.30 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1gqo h ASP 29 CO -0.02 -0.27 0.32 0.40 -1.72 0.00 0.00 179.24 177.95 1gqo h ILE 30 N -0.29 0.88 -0.66 0.35 2.04 -0.81 -1.81 117.51 117.21 1gqo h ILE 30 Ca 0.10 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1gqo h ILE 30 Cb 0.43 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1gqo h ILE 30 CO -0.28 0.11 0.24 -0.08 0.00 0.00 0.00 178.15 178.13 1gqo h GLU 31 N 0.58 1.00 -0.33 2.37 4.81 -0.47 -0.73 114.58 121.81 1gqo h GLU 31 Ca 0.31 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1gqo h GLU 31 Cb 0.29 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1gqo h GLU 31 CO -0.24 0.85 0.20 1.15 -0.73 0.00 0.00 179.01 180.25 1gqo h THR 32 N 0.94 1.11 -0.89 0.32 2.02 -0.35 0.17 112.91 116.23 1gqo h THR 32 Ca 0.22 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1gqo h THR 32 Cb 0.25 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1gqo h THR 32 CO -0.01 0.11 0.54 0.44 0.37 0.00 0.00 175.52 176.97 1gqo h ASP 33 N 0.43 1.06 0.28 4.18 3.32 -1.23 -0.25 116.42 124.20 1gqo h ASP 33 Ca 0.12 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 1gqo h ASP 33 Cb 0.00 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1gqo h ASP 33 CO -0.02 0.80 -0.77 -0.07 -1.72 0.00 0.00 179.24 177.46 1gqo h LEU 34 N 1.22 0.48 0.39 1.55 3.38 -0.90 0.70 115.31 122.13 1gqo h LEU 34 Ca 0.32 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1gqo h LEU 34 Cb -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1gqo h LEU 34 CO -0.06 1.08 -0.22 -0.26 0.09 0.00 0.00 178.44 179.07 1gqo h PHE 35 N 0.26 -0.58 -0.98 1.13 0.04 -0.25 1.07 116.94 117.64 1gqo h PHE 35 Ca -0.04 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.83 1gqo h PHE 35 Cb 1.36 0.20 -0.08 0.00 2.20 0.00 0.00 35.95 39.63 1gqo h PHE 35 CO 0.05 -0.35 0.61 1.96 -0.60 0.00 0.00 178.31 179.98 1gqo h GLN 36 N -0.58 0.97 -0.60 1.51 4.20 -0.92 0.52 115.11 120.20 1gqo h GLN 36 Ca -0.04 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1gqo h GLN 36 Cb 0.47 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1gqo h GLN 36 CO 0.05 0.64 0.07 0.35 -0.67 0.00 0.00 178.83 179.27 1gqo h PHE 37 N 1.00 1.09 -0.01 2.96 3.57 0.11 -3.15 116.94 122.51 1gqo h PHE 37 Ca 0.47 -0.16 -0.25 0.00 3.53 0.00 0.00 57.97 61.55 1gqo h PHE 37 Cb 0.41 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.87 1gqo h PHE 37 CO -0.01 0.95 -1.00 0.00 -2.23 0.00 0.00 178.31 176.02 1gqo h ALA 38 N 1.01 0.22 -0.69 2.41 0.00 0.61 -3.23 119.26 119.59 1gqo h ALA 38 Ca 0.18 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1gqo h ALA 38 Cb 0.47 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1gqo h ALA 38 CO 0.02 0.73 0.42 0.93 0.00 0.00 0.00 179.25 181.35 1gqo h GLU 39 N 0.35 0.80 -0.77 0.00 3.07 -1.14 -1.59 114.58 115.29 1gqo h GLU 39 Ca -0.11 -0.05 0.13 0.00 -0.50 0.00 0.00 59.36 58.83 1gqo h GLU 39 Cb 1.64 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 29.32 1gqo h GLU 39 CO 0.19 0.53 0.51 0.00 -1.40 0.00 0.00 179.01 178.83 1gqo h ALA 40 N 1.30 1.99 -0.56 3.43 0.00 -1.59 -0.15 119.26 123.68 1gqo h ALA 40 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1gqo h ALA 40 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1gqo h ALA 40 CO -0.12 -0.18 0.00 1.47 0.00 0.00 0.00 179.25 180.42 1gqo n LEU 41 N -4.50 4.82 -3.66 0.00 -0.00 -0.94 -4.99 117.00 107.73 1gqo n LEU 41 Ca 0.14 -2.64 -0.21 0.00 -0.00 0.00 0.00 56.01 53.30 1gqo n LEU 41 Cb 0.46 -0.58 0.04 0.00 -0.00 0.00 0.00 43.42 43.34 1gqo n LEU 41 CO 0.32 0.74 -0.04 1.41 -0.00 0.00 0.00 177.39 179.82 1gqo n HIS 42 N 0.71 -1.95 -3.90 1.47 8.25 -0.07 -4.95 115.22 114.78 1gqo n HIS 42 Ca 0.25 0.85 -0.14 0.00 -0.26 0.00 0.00 57.72 58.42 1gqo n HIS 42 Cb 0.95 -4.49 -0.15 0.00 1.12 0.00 0.00 29.99 27.43 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 -3.63 0.08 0.29 1.59 -4.36 -0.68 -4.00 121.20 110.50 1gqo s ILE 43 Ca 0.01 0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.28 1gqo s ILE 43 Cb -0.00 -0.13 -0.09 0.00 1.25 0.00 0.00 42.46 43.49 1gqo s ILE 43 CO 0.80 0.07 0.70 -1.10 0.24 0.00 0.00 174.94 175.65 1gqo s GLN 44 N 0.42 3.99 0.01 0.37 -0.21 0.31 -4.19 119.66 120.37 1gqo s GLN 44 Ca -0.04 0.62 0.01 0.00 0.02 0.00 0.00 55.36 55.97 1gqo s GLN 44 Cb -0.06 -2.52 -0.01 0.00 1.00 0.00 0.00 33.01 31.42 1gqo s GLN 44 CO -0.01 0.21 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.82 1gqo s LEU 45 N -2.84 2.10 -0.02 2.90 1.43 -1.26 -1.88 118.68 119.11 1gqo s LEU 45 Ca 0.52 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1gqo s LEU 45 Cb -0.11 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 1gqo s LEU 45 CO 0.18 -0.06 -0.17 -0.89 0.23 0.00 0.00 176.35 175.64 1gqo s THR 46 N -0.59 1.37 0.00 5.49 2.01 -0.46 -4.96 115.64 118.51 1gqo s THR 46 Ca -0.04 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.27 1gqo s THR 46 Cb -0.05 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1gqo s THR 46 CO -0.00 0.39 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.90 1gqo s PHE 47 N -0.27 2.90 -0.13 4.92 0.40 -1.26 -0.65 117.98 123.89 1gqo s PHE 47 Ca 0.04 -0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.25 1gqo s PHE 47 Cb -0.08 -1.61 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1gqo s PHE 47 CO 0.00 0.38 0.31 0.12 0.70 0.00 0.00 175.22 176.74 1gqo s PHE 48 N -1.01 -0.41 -0.02 0.36 5.36 -0.45 -4.96 117.98 116.86 1gqo s PHE 48 Ca 0.17 0.94 0.04 0.00 -0.96 0.00 0.00 56.93 57.12 1gqo s PHE 48 Cb -0.11 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1gqo s PHE 48 CO 0.08 -0.24 -0.12 -1.14 -1.46 0.00 0.00 175.22 172.33 1gqo s GLN 49 N 0.94 1.09 0.03 10.12 -0.44 -1.26 -1.01 119.66 129.13 1gqo s GLN 49 Ca -0.06 -0.44 -0.16 0.00 -2.50 0.00 0.00 55.36 52.20 1gqo s GLN 49 Cb -0.07 -1.03 0.03 0.00 -1.64 0.00 0.00 33.01 30.30 1gqo s GLN 49 CO -0.07 0.24 0.35 0.45 0.50 0.00 0.00 175.29 176.76 1gqo s SER 50 N -0.16 -0.21 0.00 6.67 0.15 -0.63 -4.99 113.70 114.53 1gqo s SER 50 Ca 0.02 -0.06 0.27 0.00 0.70 0.00 0.00 55.95 56.88 1gqo s SER 50 Cb -0.06 0.38 0.87 0.00 -1.71 0.00 0.00 66.02 65.50 1gqo s SER 50 CO -0.00 -0.61 1.65 0.59 1.20 0.00 0.00 173.24 176.07 1gqo n ASN 51 N 0.66 0.54 -4.58 5.45 3.02 -1.26 -2.56 115.26 116.53 1gqo n ASN 51 Ca -0.19 -0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 1gqo n ASN 51 Cb 0.59 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.71 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 -2.74 3.19 0.21 3.10 3.76 -1.26 -4.67 115.29 116.88 1gqo s HIS 52 Ca 0.19 0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 55.37 1gqo s HIS 52 Cb 0.19 -2.97 0.28 0.00 1.11 0.00 0.00 32.58 31.19 1gqo s HIS 52 CO 0.57 -0.52 1.73 1.49 -0.85 0.00 0.00 174.74 177.16 1gqo h GLU 53 N 8.36 0.33 -0.12 1.40 4.81 -2.01 -0.76 114.58 126.59 1gqo h GLU 53 Ca -0.27 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1gqo h GLU 53 Cb 1.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1gqo h GLU 53 CO 0.79 0.22 0.08 0.78 -0.73 0.00 0.00 179.01 180.15 1gqo h GLY 54 N 0.34 0.15 1.39 1.92 0.00 -1.99 -2.05 103.07 102.83 1gqo h GLY 54 Ca 0.31 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.43 1gqo h GLY 54 CO -0.34 0.05 -0.45 -0.55 0.00 0.00 0.00 176.54 175.25 1gqo h ASP 55 N 0.15 0.71 0.02 0.19 3.32 -1.55 -1.58 116.42 117.68 1gqo h ASP 55 Ca 0.05 -0.34 -0.14 0.00 0.02 0.00 0.00 57.03 56.61 1gqo h ASP 55 Cb 0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1gqo h ASP 55 CO -0.01 1.06 -0.46 -0.07 -1.72 0.00 0.00 179.24 178.04 1gqo h LEU 56 N 0.53 0.56 -0.36 1.55 3.38 -1.17 -0.74 115.31 119.06 1gqo h LEU 56 Ca 0.03 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1gqo h LEU 56 Cb 0.99 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1gqo h LEU 56 CO 0.09 0.94 -0.15 0.40 0.09 0.00 0.00 178.44 179.82 1gqo h ILE 57 N 0.42 1.28 -0.31 1.22 2.04 -1.23 -1.89 117.51 119.03 1gqo h ILE 57 Ca 0.03 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 64.69 1gqo h ILE 57 Cb 0.97 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1gqo h ILE 57 CO 0.09 0.41 -0.10 0.44 0.00 0.00 0.00 178.15 178.99 1gqo h ASP 58 N 0.52 -0.36 -0.61 1.72 3.32 -1.11 -1.78 116.42 118.12 1gqo h ASP 58 Ca 0.08 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 1gqo h ASP 58 Cb 0.68 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 1gqo h ASP 58 CO 0.05 -0.13 0.20 0.00 -1.72 0.00 0.00 179.24 177.64 1gqo h ALA 59 N 1.26 1.13 -0.42 3.45 0.00 -1.07 -1.58 119.26 122.04 1gqo h ALA 59 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1gqo h ALA 59 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1gqo h ALA 59 CO -0.34 0.60 0.11 0.82 0.00 0.00 0.00 179.25 180.44 1gqo h ILE 60 N 0.95 1.22 -0.67 0.00 2.04 -1.05 0.12 117.51 120.12 1gqo h ILE 60 Ca 0.21 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 1gqo h ILE 60 Cb 0.27 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1gqo h ILE 60 CO -0.01 0.27 0.16 0.45 0.00 0.00 0.00 178.15 179.02 1gqo h HIS 61 N 0.53 1.13 0.00 1.37 3.86 -1.05 -2.97 115.15 118.02 1gqo h HIS 61 Ca 0.13 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1gqo h HIS 61 Cb 0.29 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1gqo h HIS 61 CO 0.02 0.93 0.00 0.39 0.86 0.00 0.00 177.93 180.12 1gqo n GLU 62 N -4.28 0.25 -0.07 2.45 1.02 -0.62 -3.56 120.64 115.84 1gqo n GLU 62 Ca 0.04 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1gqo n GLU 62 Cb 0.26 -1.81 0.34 0.00 -0.02 0.00 0.00 31.44 30.20 1gqo n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gqo h ALA 63 N 2.50 1.54 -0.61 0.62 0.00 -0.60 -3.25 119.26 119.46 1gqo h ALA 63 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1gqo h ALA 63 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1gqo h ALA 63 CO 0.00 0.38 0.42 1.49 0.00 0.00 0.00 179.25 181.54 1gqo h GLU 64 N 0.69 0.20 -0.57 0.00 4.57 -1.69 0.67 114.58 118.45 1gqo h GLU 64 Ca 0.18 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1gqo h GLU 64 Cb 0.02 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1gqo h GLU 64 CO -0.03 0.13 0.00 0.39 -1.18 0.00 0.00 179.01 178.32 1gqo n GLU 65 N -4.43 2.58 0.00 1.92 1.02 -1.23 -4.60 120.64 115.90 1gqo n GLU 65 Ca 0.11 -2.43 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 1gqo n GLU 65 Cb 0.53 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.53 1.69 -4.52 3.49 7.27 -0.15 -5.12 117.38 121.57 1gqo n GLN 66 Ca 0.22 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.03 1gqo n GLN 66 Cb 0.60 -0.53 -0.10 0.00 2.41 0.00 0.00 30.24 32.62 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 -0.81 2.48 -1.96 3.69 1.51 0.05 -4.94 117.35 117.37 1gqo s TYR 67 Ca 0.00 -0.56 0.17 0.00 -1.01 0.00 0.00 57.07 55.67 1gqo s TYR 67 Cb 0.00 -1.58 0.10 0.00 -0.11 0.00 0.00 41.96 40.37 1gqo s TYR 67 CO 0.00 0.50 0.99 -1.13 -1.11 0.00 0.00 175.55 174.80 1gqo n SER 68 N -0.91 2.20 -3.51 2.29 3.41 -0.00 -4.77 113.62 112.33 1gqo n SER 68 Ca -0.05 -1.60 -0.09 0.00 -0.26 0.00 0.00 58.87 56.87 1gqo n SER 68 Cb 0.65 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.71 1gqo n SER 68 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gqo s GLY 69 N -1.57 -0.45 -0.02 5.00 0.00 -1.26 -4.37 107.32 104.66 1gqo s GLY 69 Ca 0.18 1.12 0.05 0.00 0.00 0.00 0.00 44.72 46.07 1gqo s GLY 69 CO 0.27 0.42 -0.17 -0.42 0.00 0.00 0.00 173.10 173.20 1gqo s ILE 70 N -2.88 1.35 -0.27 0.90 1.01 -0.24 -1.91 121.20 119.15 1gqo s ILE 70 Ca 0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 1gqo s ILE 70 Cb -0.01 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1gqo s ILE 70 CO -0.08 0.39 0.08 -0.69 0.00 0.00 0.00 174.94 174.64 1gqo s VAL 71 N -0.26 4.17 -0.16 2.92 1.01 0.53 -2.04 120.40 126.56 1gqo s VAL 71 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1gqo s VAL 71 Cb -0.08 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 1gqo s VAL 71 CO 0.00 0.21 -0.15 -0.22 0.00 0.00 0.00 175.10 174.94 1gqo s LEU 72 N 1.56 2.50 -0.54 3.92 2.96 0.33 -0.53 118.68 128.88 1gqo s LEU 72 Ca 0.05 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1gqo s LEU 72 Cb -0.16 -1.57 0.14 0.00 0.50 0.00 0.00 46.19 45.10 1gqo s LEU 72 CO 0.03 0.08 0.31 0.21 -1.32 0.00 0.00 176.35 175.65 1gqo s ASN 73 N 0.86 4.62 0.00 3.68 3.84 -0.59 0.39 114.94 127.74 1gqo s ASN 73 Ca -0.04 -2.92 0.22 0.00 0.21 0.00 0.00 52.86 50.32 1gqo s ASN 73 Cb -0.15 -1.71 1.05 0.00 -0.55 0.00 0.00 41.25 39.89 1gqo s ASN 73 CO -0.01 -0.28 1.71 -0.81 -2.79 0.00 0.00 177.10 174.92 1gqo n PRO 74 N 3.28 1.35 0.00 0.43 -0.04 -1.26 0.32 135.00 139.08 1gqo n PRO 74 Ca 0.06 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 1gqo n PRO 74 Cb 0.34 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.98 0.17 0.20 0.55 0.00 -1.26 -2.57 105.19 103.26 1gqo n GLY 75 Ca 0.16 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.64 1.00 -0.04 4.61 0.00 -1.95 -2.19 119.26 120.05 1gqo h ALA 76 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 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 0.08 -0.07 0.00 0.00 0.00 179.25 179.26 1gqo h LEU 77 N 0.00 0.00 -0.84 0.00 3.38 -1.87 -1.55 115.31 114.43 1gqo h LEU 77 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 1gqo h LEU 77 Cb 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.70 1gqo h LEU 77 CO 0.00 0.00 0.22 -1.28 0.09 0.00 0.00 178.44 177.47 1gqo h SER 78 N 0.00 0.01 0.77 -0.43 0.87 -1.53 -0.99 113.55 112.24 1gqo h SER 78 Ca 0.02 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1gqo h SER 78 Cb 0.19 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1gqo h SER 78 CO -0.00 -0.11 0.00 1.41 -0.53 0.00 0.00 176.83 177.60 1gqo n HIS 79 N -5.20 0.00 -0.32 2.24 8.25 -0.58 -0.07 115.22 119.54 1gqo n HIS 79 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1gqo n HIS 79 Cb 0.61 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.42 0.00 -2.64 4.41 0.18 -1.08 -4.74 117.16 111.87 1gqo n TYR 80 Ca 0.09 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.45 1gqo n TYR 80 Cb 0.28 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.21 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 6.53 0.58 9.48 0.15 -0.40 -4.78 113.70 125.26 1gqo s SER 81 Ca 0.00 -1.59 0.36 0.00 0.70 0.00 0.00 55.95 55.42 1gqo s SER 81 Cb 0.00 -2.53 1.58 0.00 -1.71 0.00 0.00 66.02 63.36 1gqo s SER 81 CO 0.00 -1.41 2.06 1.88 1.20 0.00 0.00 173.24 176.98 1gqo h TYR 82 N 9.58 0.00 -0.21 3.44 -1.99 -1.91 -2.41 116.97 123.47 1gqo h TYR 82 Ca 0.19 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.72 1gqo h TYR 82 Cb 1.01 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.75 1gqo h TYR 82 CO 1.25 0.00 -0.65 0.00 -0.00 0.00 0.00 178.16 178.76 1gqo h ALA 83 N 2.00 0.37 -0.10 3.88 0.00 -1.98 -0.29 119.26 123.13 1gqo h ALA 83 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1gqo h ALA 83 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1gqo h ALA 83 CO 0.00 0.65 -0.44 0.82 0.00 0.00 0.00 179.25 180.28 1gqo h ILE 84 N 0.57 1.32 -0.05 0.00 2.04 -1.85 -1.59 117.51 117.95 1gqo h ILE 84 Ca -0.02 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.25 1gqo h ILE 84 Cb 1.27 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1gqo h ILE 84 CO 0.14 0.48 -0.04 -0.09 0.00 0.00 0.00 178.15 178.63 1gqo h ARG 85 N 0.20 -0.05 -0.05 2.37 2.43 -0.94 -1.38 114.38 116.97 1gqo h ARG 85 Ca 0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1gqo h ARG 85 Cb 0.87 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1gqo h ARG 85 CO 0.07 -0.03 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.88 1gqo h ASP 86 N -0.05 0.07 -0.31 -3.80 3.32 -0.97 -1.91 116.42 112.76 1gqo h ASP 86 Ca 0.04 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1gqo h ASP 86 Cb 0.10 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1gqo h ASP 86 CO -0.08 0.25 -0.01 0.00 -1.72 0.00 0.00 179.24 177.69 1gqo h ALA 87 N 1.75 0.42 -0.43 3.45 0.00 -0.28 -1.37 119.26 122.81 1gqo h ALA 87 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1gqo h ALA 87 Cb 0.36 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1gqo h ALA 87 CO 0.02 0.18 0.21 0.28 0.00 0.00 0.00 179.25 179.94 1gqo h VAL 88 N 0.35 0.97 0.00 0.00 2.07 -0.90 -1.57 116.25 117.16 1gqo h VAL 88 Ca 0.09 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1gqo h VAL 88 Cb 0.45 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1gqo h VAL 88 CO 0.02 0.08 -0.13 0.28 0.02 0.00 0.00 177.57 177.83 1gqo h SER 89 N 0.43 0.00 0.27 0.57 0.02 -1.24 -2.94 113.55 110.66 1gqo h SER 89 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1gqo h SER 89 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1gqo h SER 89 CO -0.13 0.13 0.00 -1.54 -1.14 0.00 0.00 176.83 174.15 1gqo n SER 90 N -3.77 0.00 -4.60 3.07 3.41 -0.53 -4.85 113.62 106.35 1gqo n SER 90 Ca -0.02 -0.56 -0.23 0.00 -0.26 0.00 0.00 58.87 57.80 1gqo n SER 90 Cb 0.24 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.28 3.14 -0.95 -1.33 -4.36 -1.11 -5.05 121.20 109.25 1gqo s ILE 91 Ca 0.37 -2.03 0.23 0.00 -0.26 0.00 0.00 60.65 58.96 1gqo s ILE 91 Cb 0.21 -2.71 -0.13 0.00 1.25 0.00 0.00 42.46 41.07 1gqo s ILE 91 CO 0.40 -0.36 1.10 -1.54 0.24 0.00 0.00 174.94 174.78 1gqo n SER 92 N -0.84 0.76 -4.79 4.36 3.41 -1.26 -4.97 113.62 110.28 1gqo n SER 92 Ca -0.06 -0.62 -0.33 0.00 -0.26 0.00 0.00 58.87 57.60 1gqo n SER 92 Cb 0.60 0.71 0.03 0.00 -0.26 0.00 0.00 64.21 65.28 1gqo n SER 92 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gqo s LEU 93 N -3.11 3.42 0.10 1.04 1.43 -1.26 -5.03 118.68 115.27 1gqo s LEU 93 Ca 0.09 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.73 1gqo s LEU 93 Cb 0.16 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.79 1gqo s LEU 93 CO 0.80 -1.34 1.09 -2.16 0.23 0.00 0.00 176.35 174.97 1gqo s PRO 94 N -4.21 4.55 0.02 1.29 0.04 -1.26 -4.88 135.00 130.54 1gqo s PRO 94 Ca 0.64 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.39 1gqo s PRO 94 Cb -0.17 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 1gqo s PRO 94 CO 0.41 -0.04 -0.21 0.08 0.04 0.00 0.00 177.00 177.28 1gqo s VAL 95 N 0.43 1.66 -0.11 -0.36 1.01 -1.26 -1.08 120.40 120.70 1gqo s VAL 95 Ca 0.52 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1gqo s VAL 95 Cb -0.27 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1gqo s VAL 95 CO 0.31 0.33 -0.13 -0.69 0.00 0.00 0.00 175.10 174.92 1gqo s VAL 96 N -0.66 1.33 -0.01 2.92 1.01 -0.86 -0.61 120.40 123.53 1gqo s VAL 96 Ca 0.08 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 1gqo s VAL 96 Cb -0.08 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1gqo s VAL 96 CO 0.01 0.41 0.67 -0.70 0.00 0.00 0.00 175.10 175.49 1gqo s GLU 97 N 1.21 4.40 -0.02 2.72 2.12 -0.57 -0.51 118.70 128.05 1gqo s GLU 97 Ca -0.03 0.86 0.06 0.00 0.36 0.00 0.00 54.97 56.22 1gqo s GLU 97 Cb -0.14 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1gqo s GLU 97 CO -0.04 0.26 -0.21 0.08 -0.54 0.00 0.00 175.26 174.81 1gqo s VAL 98 N 0.14 1.67 -0.01 3.70 1.01 0.16 -1.28 120.40 125.78 1gqo s VAL 98 Ca 0.35 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1gqo s VAL 98 Cb -0.19 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1gqo s VAL 98 CO 0.19 0.47 -0.09 -1.00 0.00 0.00 0.00 175.10 174.67 1gqo s HIS 99 N -0.40 0.80 -0.07 5.22 3.76 0.15 -4.21 115.29 120.54 1gqo s HIS 99 Ca 0.06 -0.16 -0.26 0.00 -0.15 0.00 0.00 55.06 54.55 1gqo s HIS 99 Cb -0.09 -0.53 -0.25 0.00 1.11 0.00 0.00 32.58 32.82 1gqo s HIS 99 CO -0.00 -0.03 0.96 -0.07 -0.85 0.00 0.00 174.74 174.75 1gqo h LEU 100 N 6.04 0.15-10.38 0.89 4.07 -1.86 -2.32 115.31 111.91 1gqo h LEU 100 Ca -0.31 -0.83 -0.49 0.00 0.08 0.00 0.00 57.88 56.33 1gqo h LEU 100 Cb 1.18 -0.05 0.06 0.00 1.08 0.00 0.00 40.66 42.93 1gqo h LEU 100 CO 0.49 0.96 0.29 -0.94 -1.08 0.00 0.00 178.44 178.17 1gqo s SER 101 N -6.28 5.94 -0.96 -0.43 1.04 -1.26 -1.45 113.70 110.31 1gqo s SER 101 Ca -0.17 1.09 -0.22 0.00 0.48 0.00 0.00 55.95 57.13 1gqo s SER 101 Cb -0.00 -2.14 0.08 0.00 0.10 0.00 0.00 66.02 64.05 1gqo s SER 101 CO 0.73 -0.93 1.31 0.21 0.98 0.00 0.00 173.24 175.54 1gqo s ASN 102 N -4.22 6.50 0.31 7.02 3.84 -1.26 -2.02 114.94 125.10 1gqo s ASN 102 Ca 0.53 -1.55 0.07 0.00 0.21 0.00 0.00 52.86 52.12 1gqo s ASN 102 Cb -0.11 -2.51 0.78 0.00 -0.55 0.00 0.00 41.25 38.86 1gqo s ASN 102 CO 0.49 -1.39 1.76 -0.07 -2.79 0.00 0.00 177.10 175.11 1gqo h LEU 103 N 11.99 0.74 -0.85 3.21 3.38 -1.91 -1.32 115.31 130.55 1gqo h LEU 103 Ca 0.13 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1gqo h LEU 103 Cb 1.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1gqo h LEU 103 CO 1.31 0.22 0.00 1.88 0.09 0.00 0.00 178.44 181.93 1gqo h TYR 104 N 0.70 0.00 -0.61 1.13 -1.99 -1.89 0.93 116.97 115.25 1gqo h TYR 104 Ca 0.60 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.33 1gqo h TYR 104 Cb 0.99 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.72 1gqo h TYR 104 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.15 1gqo n ALA 105 N -1.80 2.40 -2.79 3.88 0.00 -0.50 -4.95 120.51 116.74 1gqo n ALA 105 Ca 0.02 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1gqo n ALA 105 Cb 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.60 3.86 -1.66 0.00 1.74 0.32 -5.07 116.66 117.46 1gqo n ARG 106 Ca 0.23 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.92 1gqo n ARG 106 Cb 0.62 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.09 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 1.36 -0.21 5.56 4.71 -1.26 -4.88 120.64 125.92 1gqo n GLU 107 Ca 0.00 0.50 0.17 0.00 -0.01 0.00 0.00 57.16 57.82 1gqo n GLU 107 Cb 0.00 -2.27 0.50 0.00 -1.01 0.00 0.00 31.44 28.66 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 1.22 0.42 0.00 3.49 4.81 -1.95 0.44 114.58 123.00 1gqo h GLU 108 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1gqo h GLU 108 Cb 1.33 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1gqo h GLU 108 CO 0.55 0.28 0.00 1.97 -0.73 0.00 0.00 179.01 181.08 1gqo n PHE 109 N -4.50 0.63 1.16 0.92 1.16 -1.26 -1.38 117.46 114.20 1gqo n PHE 109 Ca 0.17 0.25 0.13 0.00 -1.87 0.00 0.00 57.45 56.13 1gqo n PHE 109 Cb 0.62 -0.91 0.39 0.00 -1.61 0.00 0.00 39.48 37.97 1gqo n PHE 109 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1gqo n ARG 110 N -2.08 0.43 -0.08 3.97 1.74 0.14 -4.05 116.66 116.73 1gqo n ARG 110 Ca 0.02 -0.22 0.04 0.00 -0.77 0.00 0.00 57.85 56.92 1gqo n ARG 110 Cb 0.21 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.09 0.20 -4.10 -1.55 8.25 -0.48 -4.75 115.22 111.70 1gqo n HIS 111 Ca 0.10 -0.10 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 1gqo n HIS 111 Cb 0.33 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.30 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 -1.80 0.36 -0.16 -0.41 0.00 -1.26 -5.02 119.66 111.37 1gqo s GLN 112 Ca 0.15 -0.14 -0.02 0.00 -0.00 0.00 0.00 55.36 55.35 1gqo s GLN 112 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 33.01 32.71 1gqo s GLN 112 CO 0.11 0.08 -0.09 0.45 0.00 0.00 0.00 175.29 175.84 1gqo s SER 113 N -0.02 4.24 0.00 12.60 0.15 -1.26 -4.15 113.70 125.26 1gqo s SER 113 Ca 0.01 -0.31 0.28 0.00 0.70 0.00 0.00 55.95 56.62 1gqo s SER 113 Cb -0.03 -1.68 1.06 0.00 -1.71 0.00 0.00 66.02 63.66 1gqo s SER 113 CO -0.00 0.10 1.75 1.33 1.20 0.00 0.00 173.24 177.62 1gqo n VAL 114 N 3.96 0.00 -0.09 4.45 0.24 0.89 -3.83 118.33 123.95 1gqo n VAL 114 Ca -0.18 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.34 61.79 1gqo n VAL 114 Cb 0.52 0.32 -0.14 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.28 1.52 -0.07 1.34 5.41 -1.26 -4.54 119.36 121.49 1gqo n ILE 115 Ca 0.17 -0.69 0.12 0.00 1.00 0.00 0.00 62.75 63.35 1gqo n ILE 115 Cb 0.32 -1.16 0.52 0.00 -0.71 0.00 0.00 39.64 38.61 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 0.39 2.04 -0.05 -1.39 0.00 -1.91 -1.99 119.26 116.36 1gqo h ALA 116 Ca -0.52 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.40 1gqo h ALA 116 Cb 2.03 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1gqo h ALA 116 CO -0.01 -0.17 0.04 -1.35 0.00 0.00 0.00 179.25 177.76 1gqo h PRO 117 N 0.37 0.00 -0.01 0.00 0.11 -1.80 -2.85 132.00 127.82 1gqo h PRO 117 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1gqo h PRO 117 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1gqo h PRO 117 CO -0.07 0.00 -0.43 1.33 -0.21 0.00 0.00 178.00 178.62 1gqo n VAL 118 N -4.36 0.00 -2.13 3.15 0.24 -0.75 -4.99 118.33 109.49 1gqo n VAL 118 Ca -0.02 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.73 1gqo n VAL 118 Cb 0.14 1.17 0.12 0.00 -1.47 0.00 0.00 33.84 33.80 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 -2.12 2.86 0.16 2.33 0.00 -1.08 -4.72 121.76 119.20 1gqo s ALA 119 Ca 0.13 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 1gqo s ALA 119 Cb 0.14 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.66 1gqo s ALA 119 CO 0.48 -1.76 1.58 0.87 0.00 0.00 0.00 175.76 176.92 1gqo h LYS 120 N -1.01 1.01 0.00 0.00 1.79 -1.15 -3.49 116.57 113.73 1gqo h LYS 120 Ca -0.43 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 57.64 1gqo h LYS 120 Cb 1.28 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1gqo h LYS 120 CO 0.51 1.08 0.00 0.41 -1.08 0.00 0.00 179.45 180.36 1gqo n GLY 121 N -0.21 0.60 3.28 3.86 0.00 -1.24 -5.06 105.19 106.41 1gqo n GLY 121 Ca 0.01 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.81 0.57 -0.12 1.61 0.74 -1.26 -1.51 119.66 118.88 1gqo s GLN 122 Ca 0.00 0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.65 1gqo s GLN 122 Cb 0.00 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.40 1gqo s GLN 122 CO 0.00 -0.12 -0.12 0.42 -0.55 0.00 0.00 175.29 174.92 1gqo s ILE 123 N -0.47 1.35 -0.04 -2.34 1.01 -0.41 -4.96 121.20 115.33 1gqo s ILE 123 Ca -0.06 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1gqo s ILE 123 Cb -0.04 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 1gqo s ILE 123 CO 0.03 0.42 -0.16 -0.69 0.00 0.00 0.00 174.94 174.54 1gqo s VAL 124 N 1.36 1.32 0.00 2.92 1.01 -1.26 -0.67 120.40 125.08 1gqo s VAL 124 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1gqo s VAL 124 Cb -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1gqo s VAL 124 CO -0.06 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1gqo n GLY 125 N 3.19 1.15 1.58 4.51 0.00 -0.86 -4.81 105.19 109.96 1gqo n GLY 125 Ca -0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 4.67 0.00 0.99 4.77 -1.20 -4.51 117.00 121.72 1gqo n LEU 126 Ca 0.00 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 1gqo n LEU 126 Cb 0.00 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 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 0.43 0.62 0.29 -0.72 0.00 -0.53 -3.41 105.19 101.88 1gqo n GLY 127 Ca 0.22 -0.84 0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.83 1.00 0.00 4.61 0.00 -1.94 -0.61 119.26 121.49 1gqo h ALA 128 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 179.25 180.72 1gqo h GLU 129 N 0.00 0.00 -0.58 0.00 4.57 -1.97 -1.65 114.58 114.95 1gqo h GLU 129 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1gqo h GLU 129 Cb 0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1gqo h GLU 129 CO 0.00 0.02 0.38 0.78 -1.18 0.00 0.00 179.01 179.02 1gqo h GLY 130 N 0.11 0.69 1.12 1.92 0.00 -1.16 0.24 103.07 105.99 1gqo h GLY 130 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1gqo h GLY 130 CO 0.00 0.17 -0.09 -0.97 0.00 0.00 0.00 176.54 175.65 1gqo h TYR 131 N 0.55 1.14 -0.47 5.60 -1.99 -1.50 -1.25 116.97 119.06 1gqo h TYR 131 Ca 0.25 -0.23 -0.09 0.00 2.00 0.00 0.00 58.73 60.66 1gqo h TYR 131 Cb 0.27 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 1gqo h TYR 131 CO -0.00 1.05 -0.05 0.87 -0.00 0.00 0.00 178.16 180.03 1gqo h LYS 132 N 0.92 0.86 -0.88 4.88 1.57 -1.32 0.02 116.57 122.61 1gqo h LYS 132 Ca 0.15 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1gqo h LYS 132 Cb 0.66 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1gqo h LYS 132 CO 0.05 0.93 0.54 -0.07 -0.57 0.00 0.00 179.45 180.33 1gqo h LEU 133 N 0.70 1.05 -0.23 2.94 3.38 -0.90 -0.54 115.31 121.72 1gqo h LEU 133 Ca 0.13 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1gqo h LEU 133 Cb 0.58 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1gqo h LEU 133 CO 0.03 0.80 -0.23 0.00 0.09 0.00 0.00 178.44 179.14 1gqo h ALA 134 N 1.38 0.34 -0.77 1.53 0.00 -0.84 -1.39 119.26 119.51 1gqo h ALA 134 Ca 0.32 -0.37 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1gqo h ALA 134 Cb -0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 1gqo h ALA 134 CO -0.06 0.30 0.34 0.28 0.00 0.00 0.00 179.25 180.11 1gqo h VAL 135 N 0.26 0.70 -0.66 0.00 2.07 -0.71 -1.88 116.25 116.03 1gqo h VAL 135 Ca 0.04 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1gqo h VAL 135 Cb 0.78 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1gqo h VAL 135 CO 0.06 0.09 0.23 0.03 0.02 0.00 0.00 177.57 178.00 1gqo h ARG 136 N 0.51 1.01 -0.24 1.57 3.08 -0.76 -2.10 114.38 117.44 1gqo h ARG 136 Ca 0.42 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.28 1gqo h ARG 136 Cb 0.60 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1gqo h ARG 136 CO -0.37 0.86 0.11 -0.92 -1.07 0.00 0.00 179.97 178.58 1gqo h TYR 137 N 0.95 0.20 -0.81 3.04 3.20 -0.67 -2.60 116.97 120.27 1gqo h TYR 137 Ca 0.22 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.15 1gqo h TYR 137 Cb 0.26 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 1gqo h TYR 137 CO 0.02 0.11 0.53 -0.07 -1.64 0.00 0.00 178.16 177.11 1gqo h LEU 138 N 0.23 0.82 -1.07 2.82 4.07 -0.99 -0.53 115.31 120.67 1gqo h LEU 138 Ca 0.10 -0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.09 1gqo h LEU 138 Cb 0.04 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.55 1gqo h LEU 138 CO -0.08 0.55 0.63 -0.07 -1.08 0.00 0.00 178.44 178.38 1gqo h LEU 139 N 0.94 1.05 0.00 1.67 3.38 -1.01 -0.94 115.31 120.40 1gqo h LEU 139 Ca 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1gqo h LEU 139 Cb 0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1gqo h LEU 139 CO -0.11 0.73 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 1gqo n SER 140 N -4.43 0.00 -0.47 -0.43 3.41 -0.21 -5.12 113.62 106.37 1gqo n SER 140 Ca 0.12 -1.02 0.14 0.00 -0.26 0.00 0.00 58.87 57.86 1gqo n SER 140 Cb 0.08 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.56 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88