#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 2.16 0.09 0.54 2.46 -1.26 -0.33 115.29 118.95 1gqo s HIS 2 Ca 0.00 -1.26 0.06 0.00 0.47 0.00 0.00 55.06 54.33 1gqo s HIS 2 Cb 0.00 -1.57 -0.04 0.00 -0.13 0.00 0.00 32.58 30.84 1gqo s HIS 2 CO 0.00 -0.67 -0.07 -0.06 -2.47 0.00 0.00 174.74 171.46 1gqo s PHE 3 N 1.49 2.81 -0.26 3.88 2.99 0.26 -1.47 117.98 127.68 1gqo s PHE 3 Ca 0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 56.93 56.75 1gqo s PHE 3 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 43.02 41.37 1gqo s PHE 3 CO -0.10 0.44 0.15 -1.17 -0.00 0.00 0.00 175.22 174.54 1gqo s LEU 4 N -2.19 3.91 -0.55 -0.37 0.20 -0.76 -1.23 118.68 117.69 1gqo s LEU 4 Ca 0.22 -0.02 -0.14 0.00 0.69 0.00 0.00 54.13 54.88 1gqo s LEU 4 Cb -0.11 -2.07 0.13 0.00 -0.43 0.00 0.00 46.19 43.72 1gqo s LEU 4 CO 0.15 -0.00 0.49 -0.63 -0.29 0.00 0.00 176.35 176.06 1gqo s ILE 5 N 1.47 5.03 -0.24 6.68 -1.09 -0.20 -1.61 121.20 131.25 1gqo s ILE 5 Ca 0.07 -1.63 -0.08 0.00 -2.23 0.00 0.00 60.65 56.78 1gqo s ILE 5 Cb -0.15 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.46 1gqo s ILE 5 CO 0.07 -0.86 0.08 -0.22 -1.23 0.00 0.00 174.94 172.78 1gqo s LEU 6 N 1.44 3.55 -0.07 2.97 0.20 0.54 -1.97 118.68 125.35 1gqo s LEU 6 Ca 0.05 -0.14 0.05 0.00 0.69 0.00 0.00 54.13 54.77 1gqo s LEU 6 Cb -0.28 -1.95 -0.00 0.00 -0.43 0.00 0.00 46.19 43.53 1gqo s LEU 6 CO 0.01 0.00 -0.22 0.20 -0.29 0.00 0.00 176.35 176.05 1gqo s ASN 7 N 1.40 2.83 0.66 3.68 0.01 -0.26 -1.15 114.94 122.12 1gqo s ASN 7 Ca 0.05 -0.49 -0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1gqo s ASN 7 Cb -0.15 -1.01 0.04 0.00 0.41 0.00 0.00 41.25 40.55 1gqo s ASN 7 CO 0.04 0.18 0.25 0.61 -1.51 0.00 0.00 177.10 176.68 1gqo n GLY 8 N 3.25 0.02 3.69 0.66 0.00 0.46 -1.62 105.19 111.65 1gqo n GLY 8 Ca -0.19 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.50 2.00 -0.13 1.61 -0.04 -0.98 -2.40 135.00 133.56 1gqo n PRO 9 Ca 0.04 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1gqo n PRO 9 Cb 0.13 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 0.67 0.00 0.22 3.54 3.02 -1.26 -4.52 115.26 116.92 1gqo n ASN 10 Ca 0.06 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.67 1gqo n ASN 10 Cb 0.37 -1.08 0.51 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.02 0.00 2.41 2.07 -1.85 -0.66 116.25 119.24 1gqo h VAL 11 Ca 0.00 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1gqo h VAL 11 Cb 0.00 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1gqo h VAL 11 CO 0.00 0.22 -0.02 -0.55 0.02 0.00 0.00 177.57 177.25 1gqo h ASN 12 N 0.00 0.00 -0.07 0.57 -1.07 -1.88 -2.93 115.58 110.20 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 0.44 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.69 1gqo h ASN 12 CO 0.03 0.02 0.00 0.54 0.07 0.00 0.00 177.43 178.08 1gqo n ARG 13 N -3.52 1.54 -1.58 4.14 5.12 -0.25 -4.65 116.66 117.45 1gqo n ARG 13 Ca -0.03 -0.79 -0.39 0.00 -1.93 0.00 0.00 57.85 54.71 1gqo n ARG 13 Cb 0.10 -1.43 0.03 0.00 -1.16 0.00 0.00 32.46 30.01 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 -0.02 2.67 0.00 0.55 7.94 -1.11 -2.89 117.00 124.14 1gqo n LEU 14 Ca 0.18 0.88 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 1gqo n LEU 14 Cb 0.29 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 42.90 1gqo n LEU 14 CO 0.15 -1.96 0.00 0.61 -1.11 0.00 0.00 177.39 175.08 1gqo n GLY 15 N 1.35 0.87 0.00 -3.96 0.00 -1.26 -4.17 105.19 98.02 1gqo n GLY 15 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.47 -3.59 1.61 7.64 -1.14 -4.94 113.62 113.67 1gqo n SER 16 Ca 0.00 -0.21 0.02 0.00 1.01 0.00 0.00 58.87 59.69 1gqo n SER 16 Cb 0.00 0.20 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1gqo n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gqo s ARG 17 N -3.00 0.19 -0.40 1.43 1.70 -1.26 -5.07 118.95 112.55 1gqo s ARG 17 Ca 0.11 -0.10 -0.15 0.00 -0.47 0.00 0.00 55.73 55.12 1gqo s ARG 17 Cb 0.18 0.07 0.02 0.00 -0.57 0.00 0.00 34.95 34.65 1gqo s ARG 17 CO 0.69 -0.09 0.41 -0.85 -1.08 0.00 0.00 175.30 174.39 1gqo n GLU 18 N -0.43 -1.14 0.25 3.89 0.28 -1.26 -4.65 120.64 117.58 1gqo n GLU 18 Ca -0.07 0.73 0.16 0.00 -0.16 0.00 0.00 57.16 57.82 1gqo n GLU 18 Cb 0.62 -1.35 0.59 0.00 1.43 0.00 0.00 31.44 32.73 1gqo n GLU 18 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 1gqo h PRO 19 N 0.84 0.00 0.08 3.44 0.11 -1.96 -0.05 132.00 134.47 1gqo h PRO 19 Ca -0.40 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.47 1gqo h PRO 19 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1gqo h PRO 19 CO 0.19 0.00 -1.14 1.05 -0.21 0.00 0.00 178.00 177.89 1gqo h GLU 20 N 0.00 0.18 0.08 1.05 -0.00 -1.88 0.22 114.58 114.23 1gqo h GLU 20 Ca 0.00 -0.30 -0.21 0.00 -0.00 0.00 0.00 59.36 58.84 1gqo h GLU 20 Cb 0.57 0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.42 1gqo h GLU 20 CO 0.00 1.13 -1.07 0.28 -0.00 0.00 0.00 179.01 179.35 1gqo h VAL 21 N 0.06 1.20 0.00 -1.06 2.07 -1.84 -3.41 116.25 113.27 1gqo h VAL 21 Ca -0.09 -2.37 -0.33 0.00 0.82 0.00 0.00 66.70 64.73 1gqo h VAL 21 Cb 1.87 2.81 -0.06 0.00 -1.52 0.00 0.00 31.29 34.39 1gqo h VAL 21 CO 0.18 0.62 -2.04 0.49 0.02 0.00 0.00 177.57 176.84 1gqo n PHE 22 N -4.15 0.51 0.00 1.57 3.01 -0.05 -4.09 117.46 114.25 1gqo n PHE 22 Ca -0.22 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1gqo n PHE 22 Cb 0.78 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 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 1.65 -1.21 0.00 1.37 0.00 0.76 -4.79 105.19 102.98 1gqo n GLY 23 Ca -0.25 -2.14 0.01 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.03 5.84 -2.25 1.61 1.74 -1.26 -4.08 116.66 118.23 1gqo n ARG 24 Ca 0.00 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.64 1gqo n ARG 24 Cb 0.00 -0.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.76 1gqo n ARG 24 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1gqo s GLN 25 N -1.27 3.68 1.12 5.56 -1.52 -1.26 -4.72 119.66 121.25 1gqo s GLN 25 Ca 0.01 1.28 -0.17 0.00 -1.95 0.00 0.00 55.36 54.53 1gqo s GLN 25 Cb 0.02 -4.02 0.16 0.00 -0.22 0.00 0.00 33.01 28.95 1gqo s GLN 25 CO 0.12 -1.42 0.20 0.25 -0.25 0.00 0.00 175.29 174.19 1gqo n THR 26 N 6.73 0.00 0.18 -0.19 -2.24 -1.26 -4.49 114.28 113.02 1gqo n THR 26 Ca 0.18 -0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1gqo n THR 26 Cb 0.47 -0.61 0.35 0.00 -2.10 0.00 0.00 70.33 68.44 1gqo n THR 26 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1gqo h LEU 27 N -2.45 0.00 -0.43 3.22 5.85 -1.83 -1.60 115.31 118.08 1gqo h LEU 27 Ca -0.43 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 1gqo h LEU 27 Cb 1.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 1gqo h LEU 27 CO 0.29 0.39 0.01 0.74 -0.34 0.00 0.00 178.44 179.53 1gqo h THR 28 N 0.00 1.26 -0.15 1.05 2.02 -1.94 -0.84 112.91 114.31 1gqo h THR 28 Ca -0.00 -1.02 0.04 0.00 0.77 0.00 0.00 66.41 66.20 1gqo h THR 28 Cb 0.69 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1gqo h THR 28 CO 0.05 0.35 -0.08 0.44 0.37 0.00 0.00 175.52 176.65 1gqo h ASP 29 N 0.59 -0.25 -0.47 4.18 3.32 -1.74 -1.47 116.42 120.58 1gqo h ASP 29 Ca 0.12 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1gqo h ASP 29 Cb 0.48 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1gqo h ASP 29 CO 0.02 -0.10 0.22 0.40 -1.72 0.00 0.00 179.24 178.06 1gqo h ILE 30 N -0.06 0.94 -0.78 0.35 2.04 -0.88 -2.10 117.51 117.02 1gqo h ILE 30 Ca 0.09 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.81 1gqo h ILE 30 Cb 0.19 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1gqo h ILE 30 CO -0.19 0.08 0.51 -0.08 0.00 0.00 0.00 178.15 178.47 1gqo h GLU 31 N 0.45 1.00 -0.61 2.37 4.81 -0.74 0.55 114.58 122.40 1gqo h GLU 31 Ca 0.21 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1gqo h GLU 31 Cb 0.13 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1gqo h GLU 31 CO -0.16 0.66 0.30 1.15 -0.73 0.00 0.00 179.01 180.24 1gqo h THR 32 N 1.03 1.21 -0.19 0.32 2.02 -0.84 -1.88 112.91 114.58 1gqo h THR 32 Ca 0.29 -0.59 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1gqo h THR 32 Cb -0.08 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1gqo h THR 32 CO -0.08 0.24 -0.30 0.44 0.37 0.00 0.00 175.52 176.20 1gqo h ASP 33 N 0.84 0.38 0.28 4.18 3.32 -0.87 -2.95 116.42 121.60 1gqo h ASP 33 Ca 0.21 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1gqo h ASP 33 Cb 0.10 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1gqo h ASP 33 CO -0.03 0.67 -0.34 -0.07 -1.72 0.00 0.00 179.24 177.75 1gqo h LEU 34 N 0.33 0.09 -0.61 1.55 3.38 -0.10 -3.21 115.31 116.73 1gqo h LEU 34 Ca 0.04 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1gqo h LEU 34 Cb 0.69 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1gqo h LEU 34 CO 0.05 0.43 0.03 -0.26 0.09 0.00 0.00 178.44 178.78 1gqo h PHE 35 N 0.08 1.15 -0.95 1.13 0.05 -1.27 -2.87 116.94 114.26 1gqo h PHE 35 Ca 0.01 -0.19 0.00 0.00 3.82 0.00 0.00 57.97 61.61 1gqo h PHE 35 Cb 0.64 -0.30 -0.05 0.00 2.00 0.00 0.00 35.95 38.24 1gqo h PHE 35 CO 0.00 1.01 0.60 1.96 -0.18 0.00 0.00 178.31 181.69 1gqo h GLN 36 N 0.97 1.28 -0.58 1.51 4.20 -1.61 0.27 115.11 121.14 1gqo h GLN 36 Ca 0.18 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1gqo h GLN 36 Cb 0.53 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1gqo h GLN 36 CO 0.03 0.88 0.33 0.35 -0.67 0.00 0.00 178.83 179.74 1gqo h PHE 37 N 1.31 0.79 -0.06 2.96 3.57 -1.56 -2.72 116.94 121.23 1gqo h PHE 37 Ca 0.34 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1gqo h PHE 37 Cb -0.09 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 1gqo h PHE 37 CO 0.00 0.57 -0.05 0.00 -2.23 0.00 0.00 178.31 176.60 1gqo h ALA 38 N 1.15 0.01 -0.63 2.41 0.00 -1.14 -2.97 119.26 118.10 1gqo h ALA 38 Ca 0.21 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.33 1gqo h ALA 38 Cb 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1gqo h ALA 38 CO -0.03 -0.52 0.59 0.93 0.00 0.00 0.00 179.25 180.21 1gqo h GLU 39 N -0.06 0.00 -6.68 0.00 3.07 -0.16 -2.26 114.58 108.49 1gqo h GLU 39 Ca 0.04 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.41 1gqo h GLU 39 Cb 0.12 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1gqo h GLU 39 CO -0.10 0.00 -0.07 0.00 -1.40 0.00 0.00 179.01 177.44 1gqo s ALA 40 N -4.70 4.73 0.00 3.43 0.00 -1.12 -4.16 121.76 119.94 1gqo s ALA 40 Ca -0.04 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.71 1gqo s ALA 40 Cb 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1gqo s ALA 40 CO 0.60 -0.95 0.00 1.47 0.00 0.00 0.00 175.76 176.89 1gqo n LEU 41 N -2.30 0.00 -3.77 0.00 -0.00 -1.26 -3.68 117.00 105.99 1gqo n LEU 41 Ca 0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.94 1gqo n LEU 41 Cb 0.62 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.06 1gqo n LEU 41 CO 0.40 0.00 -0.12 1.41 -0.00 0.00 0.00 177.39 179.08 1gqo n HIS 42 N -1.41 -1.83 -4.17 1.47 8.25 -1.23 -4.77 115.22 111.54 1gqo n HIS 42 Ca 0.00 0.76 -0.30 0.00 -0.26 0.00 0.00 57.72 57.93 1gqo n HIS 42 Cb 0.00 -4.06 -0.09 0.00 1.12 0.00 0.00 29.99 26.96 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 -3.74 3.74 0.08 1.59 -4.36 -0.85 -3.76 121.20 113.90 1gqo s ILE 43 Ca 0.07 -1.13 0.05 0.00 -0.26 0.00 0.00 60.65 59.38 1gqo s ILE 43 Cb -0.02 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 1gqo s ILE 43 CO 0.84 0.10 -0.05 -1.10 0.24 0.00 0.00 174.94 174.97 1gqo s GLN 44 N -2.32 2.38 0.08 0.37 -0.21 0.55 -4.21 119.66 116.29 1gqo s GLN 44 Ca 0.24 -0.90 0.08 0.00 0.02 0.00 0.00 55.36 54.81 1gqo s GLN 44 Cb -0.11 -2.44 -0.03 0.00 1.00 0.00 0.00 33.01 31.43 1gqo s GLN 44 CO 0.17 0.54 -0.21 -0.51 -2.12 0.00 0.00 175.29 173.15 1gqo s LEU 45 N -2.13 2.24 -0.03 2.90 1.43 -1.26 -0.57 118.68 121.25 1gqo s LEU 45 Ca 0.23 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1gqo s LEU 45 Cb -0.11 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.15 1gqo s LEU 45 CO 0.15 0.12 -0.14 -0.89 0.23 0.00 0.00 176.35 175.81 1gqo s THR 46 N -0.98 1.20 -0.07 5.49 2.01 -0.37 -4.95 115.64 117.97 1gqo s THR 46 Ca 0.07 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1gqo s THR 46 Cb -0.09 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1gqo s THR 46 CO 0.03 0.35 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.84 1gqo s PHE 47 N 0.04 2.81 -0.15 4.92 0.40 -1.26 -1.03 117.98 123.71 1gqo s PHE 47 Ca -0.02 -0.14 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1gqo s PHE 47 Cb -0.10 -1.69 0.06 0.00 0.51 0.00 0.00 43.02 41.80 1gqo s PHE 47 CO 0.01 0.20 0.36 0.12 0.70 0.00 0.00 175.22 176.61 1gqo s PHE 48 N -0.62 -0.54 -0.01 0.36 5.36 -0.83 -4.97 117.98 116.72 1gqo s PHE 48 Ca 0.09 1.17 0.07 0.00 -0.96 0.00 0.00 56.93 57.30 1gqo s PHE 48 Cb -0.11 0.19 -0.02 0.00 -0.34 0.00 0.00 43.02 42.74 1gqo s PHE 48 CO 0.01 -0.33 -0.23 -1.14 -1.46 0.00 0.00 175.22 172.07 1gqo s GLN 49 N 1.58 1.84 -0.01 10.12 -0.44 -1.26 -1.10 119.66 130.40 1gqo s GLN 49 Ca -0.08 -0.87 -0.27 0.00 -2.50 0.00 0.00 55.36 51.64 1gqo s GLN 49 Cb -0.10 -1.82 0.06 0.00 -1.64 0.00 0.00 33.01 29.52 1gqo s GLN 49 CO -0.11 0.49 0.61 0.45 0.50 0.00 0.00 175.29 177.23 1gqo s SER 50 N -0.67 -0.57 0.00 6.67 0.15 -0.64 -4.98 113.70 113.66 1gqo s SER 50 Ca 0.09 0.51 0.25 0.00 0.70 0.00 0.00 55.95 57.50 1gqo s SER 50 Cb -0.09 0.52 0.59 0.00 -1.71 0.00 0.00 66.02 65.33 1gqo s SER 50 CO -0.00 -0.65 1.47 0.59 1.20 0.00 0.00 173.24 175.85 1gqo n ASN 51 N 0.75 0.58 -4.67 5.45 3.02 -1.26 -2.31 115.26 116.81 1gqo n ASN 51 Ca -0.19 -0.35 -0.37 0.00 -0.03 0.00 0.00 54.58 53.65 1gqo n ASN 51 Cb 0.58 0.20 -0.09 0.00 -0.61 0.00 0.00 39.78 39.86 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 -2.90 3.34 0.19 3.10 3.76 -1.26 -4.62 115.29 116.90 1gqo s HIS 52 Ca 0.14 0.31 -0.13 0.00 -0.15 0.00 0.00 55.06 55.23 1gqo s HIS 52 Cb 0.18 -2.30 0.18 0.00 1.11 0.00 0.00 32.58 31.75 1gqo s HIS 52 CO 0.66 0.08 1.73 1.49 -0.85 0.00 0.00 174.74 177.85 1gqo h GLU 53 N 7.39 0.28 -0.71 1.40 4.81 -2.01 -2.15 114.58 123.60 1gqo h GLU 53 Ca -0.38 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1gqo h GLU 53 Cb 1.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1gqo h GLU 53 CO 0.68 0.19 0.46 0.78 -0.73 0.00 0.00 179.01 180.39 1gqo h GLY 54 N 0.29 0.90 0.96 1.92 0.00 -1.99 -2.05 103.07 103.10 1gqo h GLY 54 Ca 0.24 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1gqo h GLY 54 CO -0.29 0.20 0.11 -0.55 0.00 0.00 0.00 176.54 176.02 1gqo h ASP 55 N 0.70 0.69 -0.73 0.19 3.32 -1.81 -0.70 116.42 118.08 1gqo h ASP 55 Ca 0.31 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1gqo h ASP 55 Cb 0.32 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1gqo h ASP 55 CO -0.10 0.74 0.20 -0.07 -1.72 0.00 0.00 179.24 178.29 1gqo h LEU 56 N 0.61 1.09 -0.26 1.55 3.38 -1.41 -1.34 115.31 118.93 1gqo h LEU 56 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1gqo h LEU 56 Cb 0.32 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1gqo h LEU 56 CO 0.00 1.03 0.16 0.40 0.09 0.00 0.00 178.44 180.12 1gqo h ILE 57 N 1.10 1.09 -0.83 1.22 2.04 -1.18 -0.21 117.51 120.74 1gqo h ILE 57 Ca 0.23 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1gqo h ILE 57 Cb 0.35 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1gqo h ILE 57 CO -0.00 0.09 0.54 0.44 0.00 0.00 0.00 178.15 179.22 1gqo h ASP 58 N 0.34 0.93 -0.43 1.72 3.32 -0.85 -1.28 116.42 120.17 1gqo h ASP 58 Ca 0.09 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 58 Cb -0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1gqo h ASP 58 CO -0.02 0.66 -0.08 0.00 -1.72 0.00 0.00 179.24 178.08 1gqo h ALA 59 N 1.32 0.60 0.09 3.45 0.00 -1.02 -2.23 119.26 121.46 1gqo h ALA 59 Ca 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gqo h ALA 59 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1gqo h ALA 59 CO -0.08 0.46 -0.04 0.82 0.00 0.00 0.00 179.25 180.40 1gqo h ILE 60 N 0.65 0.97 -0.39 0.00 2.04 -0.42 -0.95 117.51 119.41 1gqo h ILE 60 Ca 0.11 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.82 1gqo h ILE 60 Cb 0.61 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1gqo h ILE 60 CO 0.04 0.05 0.04 0.45 0.00 0.00 0.00 178.15 178.73 1gqo h HIS 61 N -0.22 0.05 0.00 1.37 3.86 -1.21 -2.48 115.15 116.51 1gqo h HIS 61 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1gqo h HIS 61 Cb 0.18 0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1gqo h HIS 61 CO -0.04 -0.04 0.00 0.93 0.86 0.00 0.00 177.93 179.64 1gqo h GLU 62 N 0.15 0.00 -0.95 2.45 5.08 -1.30 -3.28 114.58 116.73 1gqo h GLU 62 Ca 0.19 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 1gqo h GLU 62 Cb 0.25 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1gqo h GLU 62 CO -0.29 0.00 0.61 0.00 -1.00 0.00 0.00 179.01 178.33 1gqo h ALA 63 N 2.02 1.29 -1.07 3.43 0.00 -0.68 -3.22 119.26 121.03 1gqo h ALA 63 Ca 0.00 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.17 1gqo h ALA 63 Cb 0.59 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1gqo h ALA 63 CO 0.00 0.41 0.72 1.49 0.00 0.00 0.00 179.25 181.87 1gqo h GLU 64 N 1.12 0.22 -0.30 0.00 4.57 -1.70 0.37 114.58 118.87 1gqo h GLU 64 Ca 0.40 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1gqo h GLU 64 Cb 0.12 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1gqo h GLU 64 CO -0.16 0.15 0.00 0.39 -1.18 0.00 0.00 179.01 178.21 1gqo n GLU 65 N -4.45 2.24 0.00 1.92 1.02 -1.22 -4.61 120.64 115.54 1gqo n GLU 65 Ca 0.25 -1.87 0.00 0.00 -0.02 0.00 0.00 57.16 55.51 1gqo n GLU 65 Cb 1.00 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 1.10 1.37 -4.49 3.49 7.27 0.12 -5.12 117.38 121.12 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 0.51 -0.67 -0.10 0.00 2.41 0.00 0.00 30.24 32.39 1gqo n GLN 66 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1gqo s TYR 67 N -1.35 2.54 -1.19 3.69 1.51 -0.35 -4.87 117.35 117.33 1gqo s TYR 67 Ca 0.00 -0.65 0.10 0.00 -1.01 0.00 0.00 57.07 55.52 1gqo s TYR 67 Cb 0.00 -1.82 0.14 0.00 -0.11 0.00 0.00 41.96 40.16 1gqo s TYR 67 CO 0.00 0.38 0.94 -1.13 -1.11 0.00 0.00 175.55 174.63 1gqo n SER 68 N -1.04 2.14 -3.62 2.29 3.41 -0.54 -4.73 113.62 111.52 1gqo n SER 68 Ca -0.04 -1.59 -0.01 0.00 -0.26 0.00 0.00 58.87 56.97 1gqo n SER 68 Cb 0.66 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.90 -0.28 -0.03 5.00 0.00 -1.26 -4.39 107.32 105.46 1gqo s GLY 69 Ca 0.15 1.66 0.03 0.00 0.00 0.00 0.00 44.72 46.55 1gqo s GLY 69 CO 0.14 0.52 -0.11 -0.42 0.00 0.00 0.00 173.10 173.23 1gqo s ILE 70 N -2.08 0.94 -0.30 0.90 1.01 -0.77 -1.83 121.20 119.07 1gqo s ILE 70 Ca 0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 1gqo s ILE 70 Cb 0.01 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1gqo s ILE 70 CO -0.03 0.29 0.10 -0.69 0.00 0.00 0.00 174.94 174.61 1gqo s VAL 71 N 0.20 4.18 -0.17 2.92 1.01 -0.63 -0.98 120.40 126.93 1gqo s VAL 71 Ca -0.04 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1gqo s VAL 71 Cb -0.10 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1gqo s VAL 71 CO 0.01 0.09 -0.17 -0.22 0.00 0.00 0.00 175.10 174.80 1gqo s LEU 72 N 1.54 1.97 -0.46 3.92 2.96 -0.14 -0.34 118.68 128.13 1gqo s LEU 72 Ca 0.03 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1gqo s LEU 72 Cb -0.17 -1.36 0.12 0.00 0.50 0.00 0.00 46.19 45.29 1gqo s LEU 72 CO 0.04 -0.03 0.24 0.21 -1.32 0.00 0.00 176.35 175.49 1gqo s ASN 73 N 1.37 5.11 0.00 3.68 3.84 -0.30 -1.16 114.94 127.48 1gqo s ASN 73 Ca 0.05 -2.32 0.30 0.00 0.21 0.00 0.00 52.86 51.09 1gqo s ASN 73 Cb -0.13 -1.79 1.44 0.00 -0.55 0.00 0.00 41.25 40.21 1gqo s ASN 73 CO -0.12 -0.46 1.98 -0.81 -2.79 0.00 0.00 177.10 174.91 1gqo n PRO 74 N 4.17 0.72 0.00 0.43 -0.04 -1.26 -0.40 135.00 138.62 1gqo n PRO 74 Ca 0.02 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 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 1.22 -1.08 0.25 0.55 0.00 -1.26 -3.04 105.19 101.83 1gqo n GLY 75 Ca 0.16 -1.20 0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.34 1.00 -0.33 4.61 0.00 -1.96 -2.33 119.26 119.91 1gqo h ALA 76 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1gqo h ALA 76 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gqo h ALA 76 CO 0.00 0.00 0.40 -0.07 0.00 0.00 0.00 179.25 179.58 1gqo h LEU 77 N 0.00 0.00 -1.30 0.00 3.38 -1.91 -1.58 115.31 113.90 1gqo h LEU 77 Ca 0.00 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.27 1gqo h LEU 77 Cb 0.19 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.83 1gqo h LEU 77 CO 0.00 0.00 0.68 -1.28 0.09 0.00 0.00 178.44 177.93 1gqo h SER 78 N 0.00 0.44 0.07 -0.43 0.87 -1.61 -0.71 113.55 112.19 1gqo h SER 78 Ca 0.16 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1gqo h SER 78 Cb 0.96 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1gqo h SER 78 CO -0.00 0.02 -0.07 1.41 -0.53 0.00 0.00 176.83 177.66 1gqo n HIS 79 N -4.70 0.00 -0.54 2.24 8.25 -0.59 -0.11 115.22 119.76 1gqo n HIS 79 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1gqo n HIS 79 Cb 0.97 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 32.04 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 -0.18 0.00 -2.56 4.41 0.18 -0.80 -4.70 117.16 113.51 1gqo n TYR 80 Ca 0.17 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.53 1gqo n TYR 80 Cb 0.33 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.28 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 6.72 0.49 9.48 0.15 -0.34 -4.73 113.70 125.47 1gqo s SER 81 Ca 0.00 -2.29 0.27 0.00 0.70 0.00 0.00 55.95 54.63 1gqo s SER 81 Cb 0.00 -2.58 1.26 0.00 -1.71 0.00 0.00 66.02 62.99 1gqo s SER 81 CO 0.00 -1.29 1.98 1.88 1.20 0.00 0.00 173.24 177.00 1gqo h TYR 82 N 7.94 0.00 -0.40 3.44 -1.99 -1.93 -2.12 116.97 121.92 1gqo h TYR 82 Ca 0.41 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 61.02 1gqo h TYR 82 Cb 0.89 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1gqo h TYR 82 CO 1.40 0.16 -0.25 0.00 -0.00 0.00 0.00 178.16 179.47 1gqo h ALA 83 N 1.84 0.82 -0.32 3.88 0.00 -1.98 -0.81 119.26 122.68 1gqo h ALA 83 Ca -0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1gqo h ALA 83 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1gqo h ALA 83 CO 0.02 0.64 -0.38 0.82 0.00 0.00 0.00 179.25 180.35 1gqo h ILE 84 N 0.70 1.28 0.22 0.00 2.04 -1.78 -2.43 117.51 117.55 1gqo h ILE 84 Ca 0.09 -1.55 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1gqo h ILE 84 Cb 0.78 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1gqo h ILE 84 CO 0.06 0.51 -0.46 -0.09 0.00 0.00 0.00 178.15 178.17 1gqo h ARG 85 N 0.63 -0.74 -0.38 2.37 2.43 -1.15 -1.62 114.38 115.92 1gqo h ARG 85 Ca 0.05 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1gqo h ARG 85 Cb 0.93 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1gqo h ARG 85 CO 0.09 -0.49 0.26 -0.44 -1.51 0.00 0.00 179.97 177.87 1gqo h ASP 86 N -0.77 0.22 0.01 -3.80 3.32 -1.06 -2.22 116.42 112.12 1gqo h ASP 86 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1gqo h ASP 86 Cb 0.75 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1gqo h ASP 86 CO -0.20 0.15 -0.01 0.00 -1.72 0.00 0.00 179.24 177.46 1gqo h ALA 87 N 1.80 -0.01 -0.38 3.45 0.00 -0.92 -1.08 119.26 122.12 1gqo h ALA 87 Ca 0.17 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 87 Cb 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1gqo h ALA 87 CO -0.03 -0.40 0.17 0.28 0.00 0.00 0.00 179.25 179.27 1gqo h VAL 88 N -0.23 0.95 0.00 0.00 2.07 -0.93 -1.02 116.25 117.08 1gqo h VAL 88 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1gqo h VAL 88 Cb 0.23 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1gqo h VAL 88 CO 0.00 0.07 -0.05 0.28 0.02 0.00 0.00 177.57 177.89 1gqo h SER 89 N 0.36 0.00 0.01 0.57 0.02 -1.15 -3.02 113.55 110.34 1gqo h SER 89 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1gqo h SER 89 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1gqo h SER 89 CO -0.13 0.05 -0.00 -1.54 -1.14 0.00 0.00 176.83 174.06 1gqo n SER 90 N -3.55 0.55 -4.51 3.07 3.41 -0.39 -4.86 113.62 107.34 1gqo n SER 90 Ca -0.02 -1.16 -0.24 0.00 -0.26 0.00 0.00 58.87 57.18 1gqo n SER 90 Cb 0.16 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.01 2.59 -1.29 -1.33 -4.36 -1.14 -5.04 121.20 108.62 1gqo s ILE 91 Ca 0.44 -2.30 0.25 0.00 -0.26 0.00 0.00 60.65 58.78 1gqo s ILE 91 Cb 0.22 -2.44 0.09 0.00 1.25 0.00 0.00 42.46 41.57 1gqo s ILE 91 CO 0.36 -0.36 1.43 -1.54 0.24 0.00 0.00 174.94 175.07 1gqo n SER 92 N -0.69 0.75 -4.81 4.36 3.41 -1.26 -4.95 113.62 110.42 1gqo n SER 92 Ca -0.05 -0.55 -0.33 0.00 -0.26 0.00 0.00 58.87 57.68 1gqo n SER 92 Cb 0.60 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.76 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 -2.81 3.85 0.12 1.04 1.43 -1.26 -5.01 118.68 116.04 1gqo s LEU 93 Ca 0.16 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.74 1gqo s LEU 93 Cb 0.18 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.79 1gqo s LEU 93 CO 0.64 -0.60 1.22 -2.16 0.23 0.00 0.00 176.35 175.69 1gqo s PRO 94 N -3.33 4.45 -0.06 1.29 0.04 -1.26 -4.91 135.00 131.21 1gqo s PRO 94 Ca 0.64 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.58 1gqo s PRO 94 Cb -0.12 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1gqo s PRO 94 CO 0.19 -0.20 -0.21 0.08 0.04 0.00 0.00 177.00 176.90 1gqo s VAL 95 N 0.55 2.43 -0.13 -0.36 1.01 -1.26 -1.85 120.40 120.80 1gqo s VAL 95 Ca 0.57 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1gqo s VAL 95 Cb -0.32 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1gqo s VAL 95 CO 0.33 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 175.12 1gqo s VAL 96 N -0.26 1.78 -0.03 2.92 1.01 -0.15 -1.38 120.40 124.29 1gqo s VAL 96 Ca 0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 1gqo s VAL 96 Cb -0.13 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1gqo s VAL 96 CO 0.03 0.50 0.60 -0.70 0.00 0.00 0.00 175.10 175.53 1gqo s GLU 97 N 0.96 4.34 -0.02 2.72 2.12 -0.84 -0.97 118.70 127.00 1gqo s GLU 97 Ca -0.06 0.73 0.02 0.00 0.36 0.00 0.00 54.97 56.03 1gqo s GLU 97 Cb -0.15 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.88 1gqo s GLU 97 CO -0.03 0.30 -0.07 0.08 -0.54 0.00 0.00 175.26 175.00 1gqo s VAL 98 N 0.06 0.61 -0.02 3.70 1.01 -0.31 -1.00 120.40 124.44 1gqo s VAL 98 Ca 0.32 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1gqo s VAL 98 Cb -0.18 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 1gqo s VAL 98 CO 0.17 0.20 -0.09 -1.00 0.00 0.00 0.00 175.10 174.38 1gqo s HIS 99 N 0.31 0.91 -0.08 5.22 3.76 -0.67 -4.20 115.29 120.53 1gqo s HIS 99 Ca -0.04 -0.21 -0.19 0.00 -0.15 0.00 0.00 55.06 54.48 1gqo s HIS 99 Cb -0.09 -0.63 -0.15 0.00 1.11 0.00 0.00 32.58 32.83 1gqo s HIS 99 CO 0.00 -0.07 0.67 -0.07 -0.85 0.00 0.00 174.74 174.42 1gqo h LEU 100 N 6.22 -0.11-10.42 0.89 4.07 -1.87 -1.74 115.31 112.35 1gqo h LEU 100 Ca -0.32 -0.42 -0.47 0.00 0.08 0.00 0.00 57.88 56.74 1gqo h LEU 100 Cb 1.17 0.03 0.13 0.00 1.08 0.00 0.00 40.66 43.07 1gqo h LEU 100 CO 0.49 0.53 0.30 -0.94 -1.08 0.00 0.00 178.44 177.74 1gqo s SER 101 N -5.65 3.84 -0.80 -0.43 1.04 -1.26 -1.00 113.70 109.44 1gqo s SER 101 Ca -0.11 1.20 -0.21 0.00 0.48 0.00 0.00 55.95 57.30 1gqo s SER 101 Cb -0.00 -1.86 0.09 0.00 0.10 0.00 0.00 66.02 64.35 1gqo s SER 101 CO 0.42 -2.37 1.08 0.21 0.98 0.00 0.00 173.24 173.56 1gqo s ASN 102 N -3.84 6.39 0.34 7.02 3.84 -1.26 -2.02 114.94 125.41 1gqo s ASN 102 Ca 0.63 -1.47 0.04 0.00 0.21 0.00 0.00 52.86 52.26 1gqo s ASN 102 Cb -0.15 -2.42 0.67 0.00 -0.55 0.00 0.00 41.25 38.79 1gqo s ASN 102 CO 0.55 -1.29 1.95 -0.07 -2.79 0.00 0.00 177.10 175.45 1gqo h LEU 103 N 11.08 0.74 -2.38 3.21 3.38 -1.91 -2.08 115.31 127.36 1gqo h LEU 103 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1gqo h LEU 103 Cb 1.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1gqo h LEU 103 CO 1.17 0.49 -0.02 1.88 0.09 0.00 0.00 178.44 182.04 1gqo h TYR 104 N 0.84 0.00 -0.01 1.13 0.99 -1.90 0.28 116.97 118.31 1gqo h TYR 104 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 1gqo h TYR 104 Cb 0.19 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.92 1gqo h TYR 104 CO -0.00 0.02 -0.34 0.00 -0.00 0.00 0.00 178.16 177.85 1gqo n ALA 105 N -2.14 3.24 -2.56 3.88 0.00 -0.78 -4.94 120.51 117.20 1gqo n ALA 105 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1gqo n ALA 105 Cb 0.16 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.82 3.06 -1.47 0.00 1.74 1.00 -5.07 116.66 115.10 1gqo n ARG 106 Ca 0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 1gqo n ARG 106 Cb 0.35 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.81 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 -0.10 0.63 -0.09 5.56 4.71 -1.26 -4.85 120.64 125.23 1gqo n GLU 107 Ca 0.00 0.23 0.02 0.00 -0.01 0.00 0.00 57.16 57.41 1gqo n GLU 107 Cb 0.00 -1.61 0.34 0.00 -1.01 0.00 0.00 31.44 29.16 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 0.71 0.73 0.00 3.49 4.81 -1.95 -1.06 114.58 121.31 1gqo h GLU 108 Ca -0.42 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1gqo h GLU 108 Cb 1.39 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1gqo h GLU 108 CO 0.51 0.49 -0.00 0.27 -0.73 0.00 0.00 179.01 179.54 1gqo h PHE 109 N 0.75 0.00 -0.00 0.92 -5.15 -1.97 -1.18 116.94 110.31 1gqo h PHE 109 Ca 0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 1gqo h PHE 109 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.09 1gqo h PHE 109 CO 0.00 0.00 -0.21 0.54 -2.00 0.00 0.00 178.31 176.65 1gqo n ARG 110 N -3.42 0.39 -0.00 6.09 1.74 -0.40 -4.00 116.66 117.06 1gqo n ARG 110 Ca -0.03 -0.16 0.15 0.00 -0.77 0.00 0.00 57.85 57.04 1gqo n ARG 110 Cb 0.09 -1.50 0.88 0.00 -1.02 0.00 0.00 32.46 30.91 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 -1.17 0.00 -4.27 -1.55 8.25 -0.45 -4.73 115.22 111.31 1gqo n HIS 111 Ca 0.10 -0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.39 1gqo n HIS 111 Cb 0.31 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.00 0.73 -0.09 -0.41 0.00 -1.26 -5.01 119.66 111.62 1gqo s GLN 112 Ca 0.45 -0.57 0.00 0.00 -0.00 0.00 0.00 55.36 55.25 1gqo s GLN 112 Cb 0.21 -0.67 -0.03 0.00 0.00 0.00 0.00 33.01 32.52 1gqo s GLN 112 CO 0.35 0.17 -0.09 0.45 0.00 0.00 0.00 175.29 176.17 1gqo s SER 113 N -0.85 4.47 0.00 12.60 0.15 -1.26 -4.19 113.70 124.62 1gqo s SER 113 Ca -0.00 -0.12 0.25 0.00 0.70 0.00 0.00 55.95 56.77 1gqo s SER 113 Cb -0.06 -1.31 0.48 0.00 -1.71 0.00 0.00 66.02 63.42 1gqo s SER 113 CO 0.00 0.29 1.39 1.33 1.20 0.00 0.00 173.24 177.46 1gqo n VAL 114 N 2.71 0.00 -0.02 4.45 0.24 0.84 -4.07 118.33 122.48 1gqo n VAL 114 Ca -0.18 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.34 61.89 1gqo n VAL 114 Cb 0.53 0.49 -0.14 0.00 -1.47 0.00 0.00 33.84 33.24 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 -1.00 1.68 -0.01 1.34 5.41 -1.25 -4.49 119.36 121.03 1gqo n ILE 115 Ca 0.08 -0.72 0.07 0.00 1.00 0.00 0.00 62.75 63.19 1gqo n ILE 115 Cb 0.35 -1.38 0.47 0.00 -0.71 0.00 0.00 39.64 38.37 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 0.47 1.85 -0.44 -1.39 0.00 -1.92 -2.13 119.26 115.71 1gqo h ALA 116 Ca -0.39 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1gqo h ALA 116 Cb 2.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1gqo h ALA 116 CO 0.07 0.09 0.29 -1.35 0.00 0.00 0.00 179.25 178.35 1gqo h PRO 117 N 0.46 0.39 -0.11 0.00 0.11 -1.81 -1.91 132.00 129.14 1gqo h PRO 117 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1gqo h PRO 117 Cb 0.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1gqo h PRO 117 CO -0.05 0.26 0.00 1.33 -0.21 0.00 0.00 178.00 179.33 1gqo n VAL 118 N -4.48 0.13 -2.90 3.15 0.24 -0.81 -4.98 118.33 108.69 1gqo n VAL 118 Ca 0.05 -0.57 -0.21 0.00 -2.04 0.00 0.00 64.34 61.58 1gqo n VAL 118 Cb 0.21 1.31 0.07 0.00 -1.47 0.00 0.00 33.84 33.96 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 -1.65 4.40 0.23 2.33 0.00 -0.72 -4.73 121.76 121.61 1gqo s ALA 119 Ca 0.27 -2.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.20 1gqo s ALA 119 Cb 0.18 -1.63 0.23 0.00 0.00 0.00 0.00 23.12 21.90 1gqo s ALA 119 CO 0.27 -1.03 1.63 0.87 0.00 0.00 0.00 175.76 177.50 1gqo h LYS 120 N -0.03 0.64 0.00 0.00 1.79 -1.50 -3.48 116.57 113.99 1gqo h LYS 120 Ca -0.32 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 57.87 1gqo h LYS 120 Cb 1.28 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1gqo h LYS 120 CO 0.41 0.87 0.00 0.41 -1.08 0.00 0.00 179.45 180.05 1gqo n GLY 121 N -0.16 -1.40 3.17 3.86 0.00 -1.24 -5.08 105.19 104.34 1gqo n GLY 121 Ca -0.01 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.51 0.35 -0.09 1.61 0.74 -1.26 -1.98 119.66 117.50 1gqo s GLN 122 Ca 0.00 0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.80 1gqo s GLN 122 Cb 0.00 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.28 1gqo s GLN 122 CO 0.00 -0.05 -0.18 0.42 -0.55 0.00 0.00 175.29 174.93 1gqo s ILE 123 N 0.07 1.66 -0.01 -2.34 1.01 -0.17 -4.97 121.20 116.44 1gqo s ILE 123 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1gqo s ILE 123 Cb -0.02 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.98 1gqo s ILE 123 CO 0.01 0.47 -0.06 -0.69 0.00 0.00 0.00 174.94 174.66 1gqo s VAL 124 N 0.61 0.52 0.00 2.92 1.01 -1.26 -1.67 120.40 122.53 1gqo s VAL 124 Ca -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1gqo s VAL 124 Cb -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.76 1gqo s VAL 124 CO 0.04 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1gqo n GLY 125 N 3.08 1.14 1.16 4.51 0.00 -0.65 -4.82 105.19 109.60 1gqo n GLY 125 Ca -0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1gqo n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gqo n LEU 126 N 0.00 3.35 0.00 0.99 4.77 -1.18 -4.54 117.00 120.39 1gqo n LEU 126 Ca 0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 1gqo n LEU 126 Cb 0.00 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1gqo n LEU 126 CO 0.00 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1gqo n GLY 127 N 0.82 0.24 0.28 -0.72 0.00 -0.17 -3.62 105.19 102.02 1gqo n GLY 127 Ca 0.17 -0.91 0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.63 1.05 -0.36 4.61 0.00 -1.87 -1.30 119.26 120.77 1gqo h ALA 128 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1gqo h ALA 128 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gqo h ALA 128 CO 0.00 0.06 0.24 1.49 0.00 0.00 0.00 179.25 181.04 1gqo h GLU 129 N 0.00 0.26 -0.58 0.00 4.57 -1.99 -2.64 114.58 114.20 1gqo h GLU 129 Ca -0.00 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.28 1gqo h GLU 129 Cb 0.39 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1gqo h GLU 129 CO 0.01 0.17 0.40 0.78 -1.18 0.00 0.00 179.01 179.19 1gqo h GLY 130 N 0.27 0.46 0.88 1.92 0.00 -1.29 -1.49 103.07 103.82 1gqo h GLY 130 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1gqo h GLY 130 CO -0.03 0.07 -0.10 -0.97 0.00 0.00 0.00 176.54 175.51 1gqo h TYR 131 N 0.31 -0.27 -0.17 5.60 -1.99 -1.69 -0.57 116.97 118.20 1gqo h TYR 131 Ca 0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1gqo h TYR 131 Cb 0.66 0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.48 1gqo h TYR 131 CO -0.00 -0.16 0.10 0.87 -0.00 0.00 0.00 178.16 178.97 1gqo h LYS 132 N -0.24 0.21 -0.92 4.88 1.57 -1.45 -1.14 116.57 119.48 1gqo h LYS 132 Ca 0.00 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1gqo h LYS 132 Cb 0.22 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1gqo h LYS 132 CO -0.02 0.14 0.57 -0.07 -0.57 0.00 0.00 179.45 179.50 1gqo h LEU 133 N 0.21 0.88 -0.37 2.94 3.38 -1.14 0.26 115.31 121.48 1gqo h LEU 133 Ca 0.06 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1gqo h LEU 133 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1gqo h LEU 133 CO -0.02 0.53 0.06 0.00 0.09 0.00 0.00 178.44 179.09 1gqo h ALA 134 N 1.46 0.49 -0.76 1.53 0.00 -0.64 -1.51 119.26 119.82 1gqo h ALA 134 Ca 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1gqo h ALA 134 Cb 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1gqo h ALA 134 CO -0.21 0.19 0.38 0.28 0.00 0.00 0.00 179.25 179.89 1gqo h VAL 135 N 0.45 1.24 -0.61 0.00 2.07 0.37 -2.15 116.25 117.61 1gqo h VAL 135 Ca 0.11 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1gqo h VAL 135 Cb 0.36 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1gqo h VAL 135 CO 0.01 0.28 0.40 0.03 0.02 0.00 0.00 177.57 178.30 1gqo h ARG 136 N 1.07 0.81 -0.45 1.57 3.08 -0.38 -1.41 114.38 118.66 1gqo h ARG 136 Ca 0.26 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1gqo h ARG 136 Cb 0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1gqo h ARG 136 CO -0.04 0.55 0.30 -0.92 -1.07 0.00 0.00 179.97 178.79 1gqo h TYR 137 N 0.83 0.57 -0.89 3.04 3.20 -1.06 0.23 116.97 122.87 1gqo h TYR 137 Ca 0.22 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1gqo h TYR 137 Cb -0.08 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 37.95 1gqo h TYR 137 CO -0.03 0.36 0.58 -0.07 -1.64 0.00 0.00 178.16 177.36 1gqo h LEU 138 N 0.61 0.97 0.27 2.82 4.07 -0.88 -1.49 115.31 121.68 1gqo h LEU 138 Ca 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1gqo h LEU 138 Cb -0.07 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.45 1gqo h LEU 138 CO -0.04 0.67 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.80 1gqo h LEU 139 N 1.13 -0.30 -1.69 1.67 3.38 -1.08 -2.20 115.31 116.22 1gqo h LEU 139 Ca 0.35 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.59 1gqo h LEU 139 Cb -0.02 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1gqo h LEU 139 CO -0.11 -0.20 0.70 0.77 0.09 0.00 0.00 178.44 179.69 1gqo h SER 140 N -0.38 0.23 -0.01 -0.43 4.64 0.42 -3.51 113.55 114.50 1gqo h SER 140 Ca -0.04 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gqo h SER 140 Cb 0.29 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1gqo h SER 140 CO 0.06 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.08