#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 2.95 0.20 0.54 2.46 -1.25 -0.67 115.29 119.51 1gqo s HIS 2 Ca 0.00 -0.47 0.10 0.00 0.47 0.00 0.00 55.06 55.17 1gqo s HIS 2 Cb 0.00 -1.94 -0.04 0.00 -0.13 0.00 0.00 32.58 30.47 1gqo s HIS 2 CO 0.00 -0.14 -0.21 -0.06 -2.47 0.00 0.00 174.74 171.86 1gqo s PHE 3 N 0.48 2.08 -0.21 3.88 2.99 0.37 -1.92 117.98 125.65 1gqo s PHE 3 Ca -0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 56.93 56.37 1gqo s PHE 3 Cb -0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 43.02 41.82 1gqo s PHE 3 CO 0.03 0.46 0.14 -1.17 -0.00 0.00 0.00 175.22 174.68 1gqo s LEU 4 N -2.84 4.17 -0.49 -0.37 0.20 -0.75 -1.58 118.68 117.01 1gqo s LEU 4 Ca 0.20 0.19 -0.13 0.00 0.69 0.00 0.00 54.13 55.08 1gqo s LEU 4 Cb -0.06 -2.09 0.11 0.00 -0.43 0.00 0.00 46.19 43.72 1gqo s LEU 4 CO 0.09 0.15 0.41 -0.63 -0.29 0.00 0.00 176.35 176.08 1gqo s ILE 5 N 0.55 4.84 -0.28 6.68 -1.09 0.93 -0.98 121.20 131.85 1gqo s ILE 5 Ca 0.08 -1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 56.92 1gqo s ILE 5 Cb -0.12 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 1gqo s ILE 5 CO -0.00 -0.74 0.17 -0.22 -1.23 0.00 0.00 174.94 172.92 1gqo s LEU 6 N 1.53 3.96 -0.08 2.97 0.20 -0.07 -1.58 118.68 125.60 1gqo s LEU 6 Ca 0.04 -0.06 0.04 0.00 0.69 0.00 0.00 54.13 54.84 1gqo s LEU 6 Cb -0.27 -2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 43.39 1gqo s LEU 6 CO 0.03 -0.06 -0.21 0.20 -0.29 0.00 0.00 176.35 176.02 1gqo s ASN 7 N 1.74 3.43 0.23 3.68 0.01 0.52 -1.17 114.94 123.39 1gqo s ASN 7 Ca 0.07 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1gqo s ASN 7 Cb -0.16 -1.11 0.00 0.00 0.41 0.00 0.00 41.25 40.40 1gqo s ASN 7 CO 0.10 0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.53 1gqo n GLY 8 N 3.07 0.97 3.77 0.66 0.00 0.34 -1.17 105.19 112.84 1gqo n GLY 8 Ca -0.18 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 1gqo n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gqo s PRO 9 N -1.12 4.09 0.00 1.61 0.04 -1.01 -2.83 135.00 135.78 1gqo s PRO 9 Ca 0.00 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1gqo s PRO 9 Cb 0.00 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1gqo s PRO 9 CO 0.00 -0.48 0.00 0.09 0.04 0.00 0.00 177.00 176.65 1gqo n ASN 10 N 0.41 0.00 0.08 6.66 3.02 -1.26 -4.41 115.26 119.76 1gqo n ASN 10 Ca 0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.55 1gqo n ASN 10 Cb 0.41 -0.36 0.23 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.29 -0.04 2.41 2.07 -1.90 -2.21 116.25 117.86 1gqo h VAL 11 Ca 0.00 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.12 1gqo h VAL 11 Cb 0.00 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1gqo h VAL 11 CO 0.00 0.43 0.14 -0.55 0.02 0.00 0.00 177.57 177.60 1gqo h ASN 12 N 0.25 0.00 -0.33 0.57 -1.07 -1.89 -2.64 115.58 110.48 1gqo h ASN 12 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.40 1gqo h ASN 12 Cb 0.75 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.00 1gqo h ASN 12 CO 0.06 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.10 1gqo n ARG 13 N -3.24 2.13 -1.72 4.14 5.12 -0.83 -4.66 116.66 117.60 1gqo n ARG 13 Ca -0.02 -1.71 -0.59 0.00 -1.93 0.00 0.00 57.85 53.59 1gqo n ARG 13 Cb 0.21 -1.44 -0.08 0.00 -1.16 0.00 0.00 32.46 29.99 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 0.92 2.14 0.00 0.55 7.99 -0.99 0.34 117.00 127.95 1gqo n LEU 14 Ca 0.18 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 57.27 1gqo n LEU 14 Cb 0.46 -1.09 0.00 0.00 -0.11 0.00 0.00 43.42 42.68 1gqo n LEU 14 CO 0.14 -0.53 0.00 0.61 -1.51 0.00 0.00 177.39 176.10 1gqo n GLY 15 N 4.11 1.46 0.47 -0.72 0.00 -1.25 -4.22 105.19 105.04 1gqo n GLY 15 Ca 0.27 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.62 1gqo n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gqo h SER 16 N 0.00 0.26 -0.43 1.61 4.64 -0.48 0.18 113.55 119.33 1gqo h SER 16 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1gqo h SER 16 Cb 0.00 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1gqo h SER 16 CO 0.00 -0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.45 1gqo n ARG 17 N -4.54 2.48 -4.05 4.77 5.12 -1.26 -4.91 116.66 114.26 1gqo n ARG 17 Ca 0.32 -2.25 -0.32 0.00 -1.93 0.00 0.00 57.85 53.67 1gqo n ARG 17 Cb 1.25 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 30.98 1gqo n ARG 17 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1gqo s GLU 18 N -1.44 3.08 -0.10 5.56 0.41 0.62 -5.08 118.70 121.75 1gqo s GLU 18 Ca 0.40 -0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 54.13 1gqo s GLU 18 Cb 0.23 -2.86 -0.03 0.00 -1.78 0.00 0.00 34.13 29.69 1gqo s GLU 18 CO 0.31 0.62 1.29 -2.14 -0.49 0.00 0.00 175.26 174.86 1gqo s PRO 19 N -2.05 4.28 0.26 0.39 0.02 -1.26 -4.94 135.00 131.70 1gqo s PRO 19 Ca 0.27 1.75 -0.02 0.00 0.02 0.00 0.00 61.00 63.02 1gqo s PRO 19 Cb -0.12 -3.68 0.55 0.00 0.02 0.00 0.00 34.50 31.26 1gqo s PRO 19 CO 0.18 -0.61 1.69 1.05 -0.33 0.00 0.00 177.00 178.99 1gqo h GLU 20 N 8.00 0.32 -3.01 5.54 9.09 -1.92 -3.13 114.58 129.48 1gqo h GLU 20 Ca -0.32 -0.02 -0.44 0.00 0.05 0.00 0.00 59.36 58.64 1gqo h GLU 20 Cb 1.14 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 28.17 1gqo h GLU 20 CO 0.93 0.21 2.49 1.55 0.05 0.00 0.00 179.01 184.24 1gqo n VAL 21 N -5.11 3.13 -0.16 -1.06 3.14 -1.26 -1.41 118.33 115.61 1gqo n VAL 21 Ca 0.17 -1.82 0.00 0.00 -2.96 0.00 0.00 64.34 59.73 1gqo n VAL 21 Cb 0.52 -2.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.03 1gqo n VAL 21 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1gqo n PHE 22 N 3.62 0.00 0.00 1.45 1.16 -1.18 -5.13 117.46 117.38 1gqo n PHE 22 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 56.13 1gqo n PHE 22 Cb 0.29 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.16 1gqo n PHE 22 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1gqo n GLY 23 N 0.00 2.51 3.56 4.97 0.00 -0.50 -5.11 105.19 110.62 1gqo n GLY 23 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1gqo n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gqo s ARG 24 N -5.17 0.74 -0.29 1.61 1.70 -1.26 -4.83 118.95 111.45 1gqo s ARG 24 Ca 0.00 0.22 -0.05 0.00 -0.47 0.00 0.00 55.73 55.43 1gqo s ARG 24 Cb 0.00 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 1gqo s ARG 24 CO 0.00 -0.22 0.04 -1.14 -1.08 0.00 0.00 175.30 172.90 1gqo s GLN 25 N -1.03 2.96 0.53 3.89 0.74 -1.26 -5.07 119.66 120.41 1gqo s GLN 25 Ca -0.04 -0.93 0.06 0.00 0.05 0.00 0.00 55.36 54.49 1gqo s GLN 25 Cb -0.01 -3.26 0.05 0.00 1.10 0.00 0.00 33.01 30.89 1gqo s GLN 25 CO 0.04 -0.45 0.73 0.95 -0.55 0.00 0.00 175.29 176.01 1gqo s THR 26 N 1.43 2.57 0.31 -0.34 -4.23 -1.26 -3.97 115.64 110.16 1gqo s THR 26 Ca 0.01 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1gqo s THR 26 Cb -0.17 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 71.16 1gqo s THR 26 CO 0.00 0.00 1.90 0.25 -0.54 0.00 0.00 174.62 176.24 1gqo h LEU 27 N 0.23 0.76 -0.42 4.79 5.85 -1.82 -2.33 115.31 122.36 1gqo h LEU 27 Ca -0.37 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1gqo h LEU 27 Cb 1.28 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1gqo h LEU 27 CO 0.45 0.66 0.17 0.74 -0.34 0.00 0.00 178.44 180.12 1gqo h THR 28 N 0.83 1.20 -0.29 1.05 2.02 -1.95 -0.78 112.91 115.00 1gqo h THR 28 Ca 0.20 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.82 1gqo h THR 28 Cb 0.12 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1gqo h THR 28 CO -0.02 0.22 -0.01 0.44 0.37 0.00 0.00 175.52 176.52 1gqo h ASP 29 N 0.54 -0.14 -0.92 4.18 3.32 -1.87 -1.64 116.42 119.90 1gqo h ASP 29 Ca 0.14 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.30 1gqo h ASP 29 Cb 0.19 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.80 1gqo h ASP 29 CO -0.01 -0.04 0.59 0.40 -1.72 0.00 0.00 179.24 178.47 1gqo h ILE 30 N 0.07 1.12 -0.39 0.35 2.04 -0.98 -1.98 117.51 117.74 1gqo h ILE 30 Ca 0.14 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1gqo h ILE 30 Cb 0.19 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 1gqo h ILE 30 CO -0.24 0.21 0.19 -0.08 0.00 0.00 0.00 178.15 178.22 1gqo h GLU 31 N 1.13 0.57 -0.09 2.37 4.57 -0.43 -2.07 114.58 120.63 1gqo h GLU 31 Ca 0.38 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1gqo h GLU 31 Cb 0.06 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1gqo h GLU 31 CO -0.14 0.50 0.00 1.15 -1.18 0.00 0.00 179.01 179.35 1gqo h THR 32 N 0.49 0.95 -0.84 0.32 2.02 -0.70 -0.64 112.91 114.51 1gqo h THR 32 Ca 0.13 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1gqo h THR 32 Cb 0.13 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1gqo h THR 32 CO -0.02 0.01 0.56 0.44 0.37 0.00 0.00 175.52 176.88 1gqo h ASP 33 N 0.03 0.96 0.09 4.18 3.32 -1.31 -0.18 116.42 123.52 1gqo h ASP 33 Ca 0.04 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1gqo h ASP 33 Cb 0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1gqo h ASP 33 CO -0.06 0.69 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.84 1gqo h LEU 34 N 1.13 0.26 0.04 1.55 3.38 -1.22 0.93 115.31 121.38 1gqo h LEU 34 Ca 0.31 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1gqo h LEU 34 Cb -0.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1gqo h LEU 34 CO -0.07 0.50 -0.02 0.15 0.09 0.00 0.00 178.44 179.10 1gqo h PHE 35 N 0.24 -0.05 -0.51 1.13 3.57 0.36 1.07 116.94 122.76 1gqo h PHE 35 Ca 0.04 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1gqo h PHE 35 Cb 0.56 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.21 1gqo h PHE 35 CO 0.01 0.55 -0.17 1.96 -2.23 0.00 0.00 178.31 178.43 1gqo h GLN 36 N -0.69 -0.05 0.22 1.11 4.20 -1.03 0.26 115.11 119.13 1gqo h GLN 36 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1gqo h GLN 36 Cb 0.62 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1gqo h GLN 36 CO 0.01 -0.03 -0.24 0.35 -0.67 0.00 0.00 178.83 178.25 1gqo h PHE 37 N -0.05 -0.63 -0.66 2.96 3.57 0.10 -2.95 116.94 119.28 1gqo h PHE 37 Ca 0.24 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1gqo h PHE 37 Cb 0.42 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1gqo h PHE 37 CO -0.46 -0.35 0.09 0.00 -2.23 0.00 0.00 178.31 175.36 1gqo h ALA 38 N 0.20 0.88 -0.31 2.41 0.00 0.22 -3.20 119.26 119.45 1gqo h ALA 38 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1gqo h ALA 38 Cb 0.47 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1gqo h ALA 38 CO -0.07 0.67 0.01 0.93 0.00 0.00 0.00 179.25 180.79 1gqo h GLU 39 N 1.03 0.10 -0.56 0.00 3.07 -0.51 -0.42 114.58 117.30 1gqo h GLU 39 Ca 0.20 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 59.15 1gqo h GLU 39 Cb 0.47 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1gqo h GLU 39 CO 0.02 0.07 0.38 0.00 -1.40 0.00 0.00 179.01 178.07 1gqo h ALA 40 N 1.26 2.05 -0.07 3.43 0.00 -1.54 0.32 119.26 124.71 1gqo h ALA 40 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gqo h ALA 40 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gqo h ALA 40 CO -0.23 -0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.12 1gqo n LEU 41 N -4.46 1.18 -1.81 0.00 7.99 -1.00 -4.96 117.00 113.93 1gqo n LEU 41 Ca 0.09 -0.45 -0.15 0.00 -0.01 0.00 0.00 56.01 55.49 1gqo n LEU 41 Cb 0.37 -0.04 -0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1gqo n LEU 41 CO 0.34 0.22 -0.18 1.41 -1.51 0.00 0.00 177.39 177.68 1gqo n HIS 42 N -0.04 -0.81 -4.52 -1.77 8.25 0.11 -5.02 115.22 111.41 1gqo n HIS 42 Ca 0.18 0.04 -0.26 0.00 -0.26 0.00 0.00 57.72 57.42 1gqo n HIS 42 Cb 0.28 -3.24 -0.10 0.00 1.12 0.00 0.00 29.99 28.05 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 -2.80 2.24 -0.03 1.59 -4.36 -0.24 -4.57 121.20 113.04 1gqo s ILE 43 Ca 0.03 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.31 1gqo s ILE 43 Cb -0.01 -2.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.92 1gqo s ILE 43 CO 0.03 -0.15 -0.06 -1.10 0.24 0.00 0.00 174.94 173.89 1gqo s GLN 44 N -3.65 2.65 0.09 0.37 -0.21 0.15 -4.29 119.66 114.77 1gqo s GLN 44 Ca 0.33 -0.64 0.07 0.00 0.02 0.00 0.00 55.36 55.14 1gqo s GLN 44 Cb 0.04 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1gqo s GLN 44 CO 0.17 0.63 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.28 1gqo s LEU 45 N -1.17 2.29 -0.04 2.90 1.43 -1.26 -0.48 118.68 122.34 1gqo s LEU 45 Ca 0.15 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1gqo s LEU 45 Cb -0.11 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 1gqo s LEU 45 CO 0.05 0.00 -0.16 -0.89 0.23 0.00 0.00 176.35 175.58 1gqo s THR 46 N -1.20 1.36 -0.10 5.49 2.01 -0.62 -4.93 115.64 117.66 1gqo s THR 46 Ca 0.03 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1gqo s THR 46 Cb -0.10 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1gqo s THR 46 CO 0.03 0.39 0.01 -0.36 -0.69 0.00 0.00 174.62 174.00 1gqo s PHE 47 N -0.01 3.17 -0.09 4.92 0.40 -1.26 -0.05 117.98 125.06 1gqo s PHE 47 Ca -0.02 0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.41 1gqo s PHE 47 Cb -0.11 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.64 1gqo s PHE 47 CO 0.02 0.41 0.21 0.12 0.70 0.00 0.00 175.22 176.68 1gqo s PHE 48 N -0.70 -0.27 -0.03 0.36 5.36 -0.61 -4.96 117.98 117.13 1gqo s PHE 48 Ca 0.11 0.68 0.04 0.00 -0.96 0.00 0.00 56.93 56.79 1gqo s PHE 48 Cb -0.12 0.02 -0.00 0.00 -0.34 0.00 0.00 43.02 42.58 1gqo s PHE 48 CO 0.02 -0.20 -0.14 -1.14 -1.46 0.00 0.00 175.22 172.31 1gqo s GLN 49 N 1.09 1.38 0.05 10.12 -0.44 -1.26 -0.35 119.66 130.25 1gqo s GLN 49 Ca -0.08 -0.47 -0.12 0.00 -2.50 0.00 0.00 55.36 52.19 1gqo s GLN 49 Cb -0.10 -1.24 0.01 0.00 -1.64 0.00 0.00 33.01 30.04 1gqo s GLN 49 CO -0.07 0.20 0.25 0.45 0.50 0.00 0.00 175.29 176.62 1gqo s SER 50 N 0.06 -0.04 0.00 6.67 0.15 -0.31 -5.00 113.70 115.22 1gqo s SER 50 Ca -0.02 -0.30 0.26 0.00 0.70 0.00 0.00 55.95 56.58 1gqo s SER 50 Cb -0.10 0.33 0.70 0.00 -1.71 0.00 0.00 66.02 65.25 1gqo s SER 50 CO 0.01 -0.61 1.53 0.59 1.20 0.00 0.00 173.24 175.96 1gqo n ASN 51 N 0.54 1.03 -4.63 5.45 3.02 -1.26 -2.41 115.26 116.99 1gqo n ASN 51 Ca -0.18 -0.87 -0.38 0.00 -0.03 0.00 0.00 54.58 53.12 1gqo n ASN 51 Cb 0.60 0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.84 1gqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gqo s HIS 52 N -2.54 3.29 0.20 3.10 3.76 -1.26 -4.63 115.29 117.21 1gqo s HIS 52 Ca 0.23 0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 55.41 1gqo s HIS 52 Cb 0.19 -2.46 0.26 0.00 1.11 0.00 0.00 32.58 31.68 1gqo s HIS 52 CO 0.54 -0.09 1.68 1.49 -0.85 0.00 0.00 174.74 177.51 1gqo h GLU 53 N 7.84 0.16 -0.31 1.40 4.81 -2.01 -1.92 114.58 124.55 1gqo h GLU 53 Ca -0.35 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1gqo h GLU 53 Cb 1.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1gqo h GLU 53 CO 0.65 0.11 0.14 0.78 -0.73 0.00 0.00 179.01 179.96 1gqo h GLY 54 N 0.16 0.45 1.28 1.92 0.00 -1.99 -1.45 103.07 103.46 1gqo h GLY 54 Ca 0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1gqo h GLY 54 CO -0.44 0.19 -0.18 -0.55 0.00 0.00 0.00 176.54 175.55 1gqo h ASP 55 N 0.43 0.84 -0.39 0.19 3.32 -1.77 -0.69 116.42 118.34 1gqo h ASP 55 Ca 0.11 -0.29 -0.14 0.00 0.02 0.00 0.00 57.03 56.73 1gqo h ASP 55 Cb 0.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1gqo h ASP 55 CO -0.01 1.01 -0.31 -0.07 -1.72 0.00 0.00 179.24 178.14 1gqo h LEU 56 N 0.73 0.96 0.14 1.55 3.38 -1.25 -1.51 115.31 119.31 1gqo h LEU 56 Ca 0.11 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1gqo h LEU 56 Cb 0.70 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1gqo h LEU 56 CO 0.05 1.18 -0.07 0.40 0.09 0.00 0.00 178.44 180.10 1gqo h ILE 57 N 0.77 0.91 -0.39 1.22 2.04 -1.13 -0.65 117.51 120.29 1gqo h ILE 57 Ca 0.08 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1gqo h ILE 57 Cb 0.88 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.92 1gqo h ILE 57 CO 0.08 0.05 -0.11 0.44 0.00 0.00 0.00 178.15 178.60 1gqo h ASP 58 N -0.28 -0.41 -0.77 1.72 3.32 -1.05 -1.77 116.42 117.18 1gqo h ASP 58 Ca -0.02 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1gqo h ASP 58 Cb 0.22 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1gqo h ASP 58 CO 0.03 -0.15 0.45 0.00 -1.72 0.00 0.00 179.24 177.86 1gqo h ALA 59 N 1.34 1.06 -0.13 3.45 0.00 -1.08 -1.29 119.26 122.62 1gqo h ALA 59 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1gqo h ALA 59 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gqo h ALA 59 CO -0.41 0.14 0.04 0.82 0.00 0.00 0.00 179.25 179.85 1gqo h ILE 60 N 0.81 1.17 -0.91 0.00 2.04 -0.68 0.04 117.51 119.99 1gqo h ILE 60 Ca 0.35 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1gqo h ILE 60 Cb 0.22 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1gqo h ILE 60 CO -0.19 0.16 0.54 0.45 0.00 0.00 0.00 178.15 179.11 1gqo h HIS 61 N 0.03 1.20 0.00 1.37 3.86 -1.02 -2.74 115.15 117.85 1gqo h HIS 61 Ca 0.04 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1gqo h HIS 61 Cb 0.21 -0.39 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1gqo h HIS 61 CO -0.00 0.80 -0.14 0.93 0.86 0.00 0.00 177.93 180.37 1gqo h GLU 62 N 1.25 0.00 -0.74 2.45 5.08 -1.01 -3.31 114.58 118.30 1gqo h GLU 62 Ca 0.32 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1gqo h GLU 62 Cb -0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1gqo h GLU 62 CO -0.06 0.14 0.49 0.00 -1.00 0.00 0.00 179.01 178.58 1gqo h ALA 63 N 1.86 1.58 -1.05 3.43 0.00 -0.67 -3.20 119.26 121.22 1gqo h ALA 63 Ca -0.00 -0.03 0.32 0.00 0.00 0.00 0.00 54.91 55.19 1gqo h ALA 63 Cb 0.93 -0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 1gqo h ALA 63 CO 0.02 0.34 0.63 1.49 0.00 0.00 0.00 179.25 181.73 1gqo h GLU 64 N 0.88 0.33 -0.60 0.00 4.57 -1.70 0.86 114.58 118.93 1gqo h GLU 64 Ca 0.30 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1gqo h GLU 64 Cb 0.08 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1gqo h GLU 64 CO -0.09 0.22 0.00 0.39 -1.18 0.00 0.00 179.01 178.35 1gqo n GLU 65 N -4.90 2.42 0.00 1.92 1.02 -1.21 -4.55 120.64 115.34 1gqo n GLU 65 Ca 0.31 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.30 1gqo n GLU 65 Cb 1.00 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 1.21 2.83 -4.53 3.49 7.27 0.15 -5.13 117.38 122.68 1gqo n GLN 66 Ca 0.20 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 57.02 1gqo n GLN 66 Cb 0.51 -0.46 -0.11 0.00 2.41 0.00 0.00 30.24 32.60 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 -0.49 2.29 -1.53 3.69 1.51 -0.34 -4.92 117.35 117.56 1gqo s TYR 67 Ca 0.00 -0.64 0.15 0.00 -1.01 0.00 0.00 57.07 55.57 1gqo s TYR 67 Cb 0.00 -1.42 0.31 0.00 -0.11 0.00 0.00 41.96 40.74 1gqo s TYR 67 CO 0.00 0.41 1.22 -1.13 -1.11 0.00 0.00 175.55 174.94 1gqo n SER 68 N -0.78 2.92 -3.64 2.29 3.41 -0.81 -4.74 113.62 112.28 1gqo n SER 68 Ca -0.05 -1.87 -0.02 0.00 -0.26 0.00 0.00 58.87 56.67 1gqo n SER 68 Cb 0.65 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.11 -0.11 -0.05 5.00 0.00 -1.26 -4.48 107.32 105.32 1gqo s GLY 69 Ca 0.27 2.20 0.03 0.00 0.00 0.00 0.00 44.72 47.21 1gqo s GLY 69 CO 0.21 0.79 -0.12 -0.42 0.00 0.00 0.00 173.10 173.56 1gqo s ILE 70 N -1.73 1.09 -0.32 0.90 1.01 -0.58 -1.82 121.20 119.75 1gqo s ILE 70 Ca 0.10 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1gqo s ILE 70 Cb -0.01 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1gqo s ILE 70 CO -0.04 0.33 0.16 -0.69 0.00 0.00 0.00 174.94 174.70 1gqo s VAL 71 N 0.42 4.64 -0.18 2.92 1.01 -0.16 -1.75 120.40 127.31 1gqo s VAL 71 Ca -0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1gqo s VAL 71 Cb -0.13 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1gqo s VAL 71 CO 0.02 0.05 -0.09 -0.22 0.00 0.00 0.00 175.10 174.86 1gqo s LEU 72 N 1.62 2.78 -0.49 3.92 2.96 -0.11 -0.89 118.68 128.45 1gqo s LEU 72 Ca 0.05 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1gqo s LEU 72 Cb -0.17 -1.67 0.13 0.00 0.50 0.00 0.00 46.19 44.98 1gqo s LEU 72 CO 0.07 0.07 0.25 0.21 -1.32 0.00 0.00 176.35 175.62 1gqo s ASN 73 N 0.92 4.69 0.00 3.68 3.84 -0.31 0.35 114.94 128.11 1gqo s ASN 73 Ca -0.02 -2.71 0.18 0.00 0.21 0.00 0.00 52.86 50.53 1gqo s ASN 73 Cb -0.15 -1.70 0.99 0.00 -0.55 0.00 0.00 41.25 39.84 1gqo s ASN 73 CO -0.00 -0.32 1.65 -0.81 -2.79 0.00 0.00 177.10 174.83 1gqo n PRO 74 N 3.57 1.17 0.00 0.43 -0.04 -1.26 -0.50 135.00 138.36 1gqo n PRO 74 Ca 0.05 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1gqo n PRO 74 Cb 0.36 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.86 0.76 0.24 0.55 0.00 -1.26 -2.92 105.19 103.42 1gqo n GLY 75 Ca 0.14 -0.78 0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.88 1.00 -0.12 4.61 0.00 -1.96 -2.06 119.26 119.85 1gqo h ALA 76 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 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 0.21 -0.07 0.00 0.00 0.00 179.25 179.39 1gqo h LEU 77 N 0.00 0.00 -1.73 0.00 3.38 -1.89 -1.70 115.31 113.37 1gqo h LEU 77 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 1gqo h LEU 77 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1gqo h LEU 77 CO 0.00 0.00 0.70 -1.28 0.09 0.00 0.00 178.44 177.95 1gqo h SER 78 N 0.00 0.20 0.42 -0.43 0.87 -1.52 -2.05 113.55 111.04 1gqo h SER 78 Ca 0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1gqo h SER 78 Cb 0.47 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1gqo h SER 78 CO -0.00 0.05 -0.50 1.41 -0.53 0.00 0.00 176.83 177.26 1gqo n HIS 79 N -4.39 0.00 -0.05 2.24 8.25 -0.64 -1.13 115.22 119.50 1gqo n HIS 79 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1gqo n HIS 79 Cb 0.98 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.88 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 -1.36 0.00 -2.21 4.41 -0.00 -1.05 -4.69 117.16 112.26 1gqo n TYR 80 Ca 0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.65 1gqo n TYR 80 Cb 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.63 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1gqo s SER 81 N 0.00 5.55 0.41 9.48 0.15 -0.80 -4.76 113.70 123.73 1gqo s SER 81 Ca 0.00 -1.50 0.29 0.00 0.70 0.00 0.00 55.95 55.44 1gqo s SER 81 Cb 0.00 -2.58 1.23 0.00 -1.71 0.00 0.00 66.02 62.97 1gqo s SER 81 CO 0.00 -2.47 1.86 1.88 1.20 0.00 0.00 173.24 175.71 1gqo h TYR 82 N 9.80 0.00 0.00 3.44 -1.99 -1.91 -1.84 116.97 124.47 1gqo h TYR 82 Ca 0.22 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.76 1gqo h TYR 82 Cb 0.95 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1gqo h TYR 82 CO 1.26 0.00 -0.89 0.00 -0.00 0.00 0.00 178.16 178.52 1gqo h ALA 83 N 2.13 0.53 -0.05 3.88 0.00 -1.99 -2.00 119.26 121.76 1gqo h ALA 83 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 54.91 53.93 1gqo h ALA 83 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1gqo h ALA 83 CO 0.00 1.08 -0.76 0.82 0.00 0.00 0.00 179.25 180.40 1gqo h ILE 84 N 0.01 1.41 0.40 0.00 2.04 -1.73 -2.22 117.51 117.42 1gqo h ILE 84 Ca -0.02 -2.25 -0.01 0.00 1.00 0.00 0.00 64.86 63.58 1gqo h ILE 84 Cb 1.57 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 1gqo h ILE 84 CO 0.12 0.67 -0.28 -0.09 0.00 0.00 0.00 178.15 178.57 1gqo h ARG 85 N 0.21 -0.64 -0.05 2.37 2.43 -1.11 -1.95 114.38 115.64 1gqo h ARG 85 Ca -0.03 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1gqo h ARG 85 Cb 1.33 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1gqo h ARG 85 CO 0.12 -0.43 -0.12 -0.44 -1.51 0.00 0.00 179.97 177.59 1gqo h ASP 86 N -0.66 0.07 -0.11 -3.80 5.19 -1.35 -2.21 116.42 113.55 1gqo h ASP 86 Ca -0.04 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1gqo h ASP 86 Cb 0.56 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 1gqo h ASP 86 CO 0.02 0.21 -0.04 0.00 -3.12 0.00 0.00 179.24 176.30 1gqo h ALA 87 N 1.80 0.06 -0.70 3.45 0.00 -0.87 -1.91 119.26 121.09 1gqo h ALA 87 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 87 Cb 0.27 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1gqo h ALA 87 CO 0.02 -0.50 0.44 0.28 0.00 0.00 0.00 179.25 179.49 1gqo h VAL 88 N -0.02 1.11 0.00 0.00 2.07 -0.80 -1.15 116.25 117.46 1gqo h VAL 88 Ca 0.06 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1gqo h VAL 88 Cb 0.11 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1gqo h VAL 88 CO -0.13 0.16 -0.13 0.28 0.02 0.00 0.00 177.57 177.77 1gqo h SER 89 N 0.87 0.00 0.07 0.57 0.02 -1.25 -2.85 113.55 110.97 1gqo h SER 89 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1gqo h SER 89 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1gqo h SER 89 CO -0.10 0.13 -0.03 -1.54 -1.14 0.00 0.00 176.83 174.14 1gqo n SER 90 N -3.46 0.79 -4.48 3.07 3.41 -0.44 -4.87 113.62 107.64 1gqo n SER 90 Ca -0.01 -1.13 -0.25 0.00 -0.26 0.00 0.00 58.87 57.21 1gqo n SER 90 Cb 0.29 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.11 2.62 -1.50 -1.33 -4.36 -1.08 -5.05 121.20 108.39 1gqo s ILE 91 Ca 0.39 -2.12 0.26 0.00 -0.26 0.00 0.00 60.65 58.92 1gqo s ILE 91 Cb 0.21 -2.32 0.16 0.00 1.25 0.00 0.00 42.46 41.76 1gqo s ILE 91 CO 0.38 -0.25 1.48 -1.54 0.24 0.00 0.00 174.94 175.25 1gqo n SER 92 N -0.22 0.90 -4.80 4.36 3.41 -1.26 -4.94 113.62 111.07 1gqo n SER 92 Ca -0.09 -0.72 -0.33 0.00 -0.26 0.00 0.00 58.87 57.48 1gqo n SER 92 Cb 0.58 0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.75 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 -2.67 3.50 0.16 1.04 1.43 -1.26 -5.03 118.68 115.85 1gqo s LEU 93 Ca 0.19 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.80 1gqo s LEU 93 Cb 0.19 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 1gqo s LEU 93 CO 0.59 -1.14 1.14 -2.16 0.23 0.00 0.00 176.35 175.01 1gqo s PRO 94 N -4.08 4.54 -0.03 1.29 0.04 -1.26 -4.89 135.00 130.61 1gqo s PRO 94 Ca 0.63 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.48 1gqo s PRO 94 Cb -0.16 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1gqo s PRO 94 CO 0.37 -0.02 -0.17 0.08 0.04 0.00 0.00 177.00 177.30 1gqo s VAL 95 N 0.04 1.38 -0.12 -0.36 1.01 -1.26 -1.53 120.40 119.55 1gqo s VAL 95 Ca 0.52 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1gqo s VAL 95 Cb -0.30 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1gqo s VAL 95 CO 0.34 0.39 -0.20 -0.69 0.00 0.00 0.00 175.10 174.95 1gqo s VAL 96 N -0.21 2.39 0.22 2.92 1.01 -0.72 -1.13 120.40 124.88 1gqo s VAL 96 Ca 0.02 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 1gqo s VAL 96 Cb -0.09 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.25 1gqo s VAL 96 CO 0.00 0.54 0.76 -0.70 0.00 0.00 0.00 175.10 175.71 1gqo s GLU 97 N 0.42 4.38 -0.01 2.72 2.12 -0.09 -0.94 118.70 127.31 1gqo s GLU 97 Ca -0.15 1.01 0.03 0.00 0.36 0.00 0.00 54.97 56.23 1gqo s GLU 97 Cb -0.17 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 1gqo s GLU 97 CO 0.06 0.44 -0.11 0.08 -0.54 0.00 0.00 175.26 175.19 1gqo s VAL 98 N -1.42 0.84 -0.00 3.70 1.01 0.16 -1.87 120.40 122.81 1gqo s VAL 98 Ca 0.42 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1gqo s VAL 98 Cb -0.19 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1gqo s VAL 98 CO 0.23 0.22 -0.07 -1.00 0.00 0.00 0.00 175.10 174.47 1gqo s HIS 99 N -0.29 0.65 -0.15 5.22 3.76 -0.09 -4.29 115.29 120.11 1gqo s HIS 99 Ca 0.04 -0.14 -0.27 0.00 -0.15 0.00 0.00 55.06 54.53 1gqo s HIS 99 Cb -0.04 -0.42 -0.24 0.00 1.11 0.00 0.00 32.58 32.99 1gqo s HIS 99 CO -0.00 -0.01 0.67 -0.07 -0.85 0.00 0.00 174.74 174.48 1gqo h LEU 100 N 5.87 0.00-10.38 0.89 4.07 -1.86 -2.22 115.31 111.69 1gqo h LEU 100 Ca -0.30 -0.90 -0.51 0.00 0.08 0.00 0.00 57.88 56.25 1gqo h LEU 100 Cb 1.19 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.99 1gqo h LEU 100 CO 0.49 1.03 0.41 -0.94 -1.08 0.00 0.00 178.44 178.36 1gqo s SER 101 N -6.26 6.01 -0.93 -0.43 1.04 -1.26 -1.50 113.70 110.37 1gqo s SER 101 Ca -0.19 1.39 -0.24 0.00 0.48 0.00 0.00 55.95 57.38 1gqo s SER 101 Cb -0.02 -2.38 0.03 0.00 0.10 0.00 0.00 66.02 63.76 1gqo s SER 101 CO 0.65 -1.01 1.49 0.21 0.98 0.00 0.00 173.24 175.56 1gqo s ASN 102 N -4.18 6.22 0.43 7.02 3.84 -1.26 -2.49 114.94 124.52 1gqo s ASN 102 Ca 0.56 -1.08 0.11 0.00 0.21 0.00 0.00 52.86 52.66 1gqo s ASN 102 Cb -0.11 -2.57 0.97 0.00 -0.55 0.00 0.00 41.25 38.99 1gqo s ASN 102 CO 0.54 -1.76 2.02 -0.07 -2.79 0.00 0.00 177.10 175.04 1gqo h LEU 103 N 13.59 0.39 -1.81 3.21 3.38 -1.92 -2.39 115.31 129.75 1gqo h LEU 103 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gqo h LEU 103 Cb 1.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1gqo h LEU 103 CO 1.36 0.26 0.00 1.88 0.09 0.00 0.00 178.44 182.04 1gqo h TYR 104 N 0.45 0.00 -0.01 1.13 -1.99 -1.89 -0.05 116.97 114.61 1gqo h TYR 104 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1gqo h TYR 104 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.99 1gqo h TYR 104 CO -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 178.16 178.04 1gqo n ALA 105 N -2.04 2.79 -2.60 3.88 0.00 -0.90 -4.94 120.51 116.70 1gqo n ALA 105 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1gqo n ALA 105 Cb 0.22 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.03 3.59 -1.55 0.00 1.74 -0.03 -5.07 116.66 115.37 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 0.39 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.90 1gqo n ARG 106 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gqo n GLU 107 N -0.00 0.79 -0.34 5.56 4.71 -1.26 -4.89 120.64 125.21 1gqo n GLU 107 Ca 0.00 0.32 0.08 0.00 -0.01 0.00 0.00 57.16 57.55 1gqo n GLU 107 Cb 0.00 -2.25 0.27 0.00 -1.01 0.00 0.00 31.44 28.45 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 0.21 0.89 0.00 3.49 4.81 -1.94 -2.06 114.58 119.99 1gqo h GLU 108 Ca -0.49 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1gqo h GLU 108 Cb 1.35 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1gqo h GLU 108 CO 0.50 0.59 -0.08 0.27 -0.73 0.00 0.00 179.01 179.56 1gqo h PHE 109 N 0.92 0.00 -0.00 0.92 -5.15 -1.97 -1.37 116.94 110.29 1gqo h PHE 109 Ca 0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.26 1gqo h PHE 109 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.72 1gqo h PHE 109 CO -0.00 0.08 -0.01 0.54 -2.00 0.00 0.00 178.31 176.92 1gqo n ARG 110 N -3.74 0.79 -0.11 6.09 1.74 -0.77 -3.97 116.66 116.69 1gqo n ARG 110 Ca -0.02 -0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.09 1gqo n ARG 110 Cb 0.18 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.07 0.30 -3.96 -1.55 8.25 -0.52 -4.75 115.22 111.92 1gqo n HIS 111 Ca 0.20 -0.15 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1gqo n HIS 111 Cb 0.18 0.00 -0.14 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 -1.70 0.15 -0.12 -0.41 0.00 -1.25 -5.02 119.66 111.30 1gqo s GLN 112 Ca 0.26 -0.05 0.00 0.00 -0.00 0.00 0.00 55.36 55.57 1gqo s GLN 112 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 33.01 32.97 1gqo s GLN 112 CO 0.20 0.03 -0.13 0.45 0.00 0.00 0.00 175.29 175.83 1gqo s SER 113 N 0.02 3.99 0.00 12.60 0.15 -1.26 -4.23 113.70 124.98 1gqo s SER 113 Ca 0.00 -0.32 0.27 0.00 0.70 0.00 0.00 55.95 56.60 1gqo s SER 113 Cb -0.01 -1.53 0.83 0.00 -1.71 0.00 0.00 66.02 63.60 1gqo s SER 113 CO -0.00 0.18 1.61 1.33 1.20 0.00 0.00 173.24 177.57 1gqo n VAL 114 N 3.39 0.00 -0.10 4.45 0.24 -0.28 -3.89 118.33 122.15 1gqo n VAL 114 Ca -0.18 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 1gqo n VAL 114 Cb 0.53 0.52 -0.15 0.00 -1.47 0.00 0.00 33.84 33.27 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 -0.18 1.44 -0.33 1.34 5.41 -1.26 -4.56 119.36 121.23 1gqo n ILE 115 Ca 0.15 -0.77 0.07 0.00 1.00 0.00 0.00 62.75 63.19 1gqo n ILE 115 Cb 0.37 -0.79 0.23 0.00 -0.71 0.00 0.00 39.64 38.73 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 0.71 1.39 -0.15 -1.39 0.00 -1.91 -1.40 119.26 116.51 1gqo h ALA 116 Ca -0.54 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1gqo h ALA 116 Cb 2.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1gqo h ALA 116 CO 0.00 0.09 0.15 -1.35 0.00 0.00 0.00 179.25 178.15 1gqo h PRO 117 N 0.83 0.00 -0.02 0.00 0.11 -1.80 -2.22 132.00 128.91 1gqo h PRO 117 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1gqo h PRO 117 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1gqo h PRO 117 CO -0.30 0.00 -0.19 1.33 -0.21 0.00 0.00 178.00 178.63 1gqo n VAL 118 N -3.89 0.00 -2.69 3.15 0.24 -0.54 -4.98 118.33 109.62 1gqo n VAL 118 Ca 0.01 -0.40 -0.22 0.00 -2.04 0.00 0.00 64.34 61.68 1gqo n VAL 118 Cb 0.27 1.30 0.08 0.00 -1.47 0.00 0.00 33.84 34.02 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 -1.82 3.96 0.18 2.33 0.00 -0.84 -4.73 121.76 120.85 1gqo s ALA 119 Ca 0.18 -1.74 -0.10 0.00 0.00 0.00 0.00 51.96 50.30 1gqo s ALA 119 Cb 0.15 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.44 1gqo s ALA 119 CO 0.34 -1.19 1.66 0.87 0.00 0.00 0.00 175.76 177.45 1gqo h LYS 120 N -0.25 1.04 0.00 0.00 1.79 -1.41 -3.48 116.57 114.25 1gqo h LYS 120 Ca -0.36 -0.29 0.06 0.00 -2.18 0.00 0.00 60.65 57.88 1gqo h LYS 120 Cb 1.28 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1gqo h LYS 120 CO 0.42 0.98 0.16 0.41 -1.08 0.00 0.00 179.45 180.34 1gqo n GLY 121 N -0.52 0.39 3.13 3.86 0.00 -1.25 -5.07 105.19 105.72 1gqo n GLY 121 Ca 0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 0.32 -0.16 1.61 0.74 -1.26 -0.91 119.66 118.00 1gqo s GLN 122 Ca 0.05 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.70 1gqo s GLN 122 Cb -0.00 0.15 0.02 0.00 1.10 0.00 0.00 33.01 34.28 1gqo s GLN 122 CO -0.00 -0.05 -0.15 0.42 -0.55 0.00 0.00 175.29 174.96 1gqo s ILE 123 N -0.10 1.67 -0.03 -2.34 1.01 -0.78 -4.97 121.20 115.66 1gqo s ILE 123 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.96 1gqo s ILE 123 Cb -0.02 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1gqo s ILE 123 CO 0.01 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.56 1gqo s VAL 124 N 1.44 1.33 0.00 2.92 1.01 -1.26 -0.92 120.40 124.92 1gqo s VAL 124 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1gqo s VAL 124 Cb -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1gqo s VAL 124 CO -0.11 0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1gqo n GLY 125 N 3.00 0.92 1.54 4.51 0.00 -0.83 -4.86 105.19 109.47 1gqo n GLY 125 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 4.53 0.00 0.99 4.77 -1.22 -4.58 117.00 121.48 1gqo n LEU 126 Ca 0.00 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1gqo n LEU 126 Cb 0.00 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1gqo n LEU 126 CO 0.00 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1gqo n GLY 127 N 0.44 -0.63 0.31 -0.72 0.00 -0.56 -3.53 105.19 100.51 1gqo n GLY 127 Ca 0.21 -1.10 0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.53 1.09 -0.11 4.61 0.00 -1.95 -1.03 119.26 121.34 1gqo h ALA 128 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1gqo h ALA 128 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gqo h ALA 128 CO 0.00 0.02 0.13 1.49 0.00 0.00 0.00 179.25 180.89 1gqo h GLU 129 N 0.00 0.00 -0.92 0.00 4.57 -1.98 -2.00 114.58 114.25 1gqo h GLU 129 Ca -0.00 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.35 1gqo h GLU 129 Cb 0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.64 1gqo h GLU 129 CO 0.00 0.00 0.50 0.78 -1.18 0.00 0.00 179.01 179.12 1gqo h GLY 130 N 0.00 1.57 0.82 1.92 0.00 -1.26 -0.84 103.07 105.28 1gqo h GLY 130 Ca 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.11 1gqo h GLY 130 CO -0.00 -0.08 -0.04 -0.97 0.00 0.00 0.00 176.54 175.46 1gqo h TYR 131 N 0.66 -0.09 -0.42 5.60 -1.99 -1.57 -0.61 116.97 118.55 1gqo h TYR 131 Ca 0.52 0.01 -0.06 0.00 2.00 0.00 0.00 58.73 61.20 1gqo h TYR 131 Cb 0.80 0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.56 1gqo h TYR 131 CO -0.06 -0.06 0.01 0.87 -0.00 0.00 0.00 178.16 178.91 1gqo h LYS 132 N -0.04 0.67 -0.53 4.88 1.57 -1.42 -0.89 116.57 120.81 1gqo h LYS 132 Ca 0.04 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1gqo h LYS 132 Cb 0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1gqo h LYS 132 CO -0.09 0.68 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.35 1gqo h LEU 133 N 0.63 0.93 -0.46 2.94 3.38 -1.05 -0.76 115.31 120.93 1gqo h LEU 133 Ca 0.13 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1gqo h LEU 133 Cb 0.39 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1gqo h LEU 133 CO 0.01 1.02 0.01 0.00 0.09 0.00 0.00 178.44 179.57 1gqo h ALA 134 N 1.07 0.61 -0.37 1.53 0.00 -0.76 -1.87 119.26 119.47 1gqo h ALA 134 Ca 0.15 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1gqo h ALA 134 Cb 0.58 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1gqo h ALA 134 CO 0.04 0.40 0.22 0.28 0.00 0.00 0.00 179.25 180.19 1gqo h VAL 135 N 0.65 1.04 -0.61 0.00 2.07 -0.93 -0.04 116.25 118.43 1gqo h VAL 135 Ca 0.13 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1gqo h VAL 135 Cb 0.49 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1gqo h VAL 135 CO 0.02 0.08 0.33 0.03 0.02 0.00 0.00 177.57 178.05 1gqo h ARG 136 N 0.44 0.59 -0.36 1.57 3.08 -0.87 -1.06 114.38 117.78 1gqo h ARG 136 Ca 0.15 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.22 1gqo h ARG 136 Cb 0.01 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 1gqo h ARG 136 CO -0.07 0.39 0.04 -0.92 -1.07 0.00 0.00 179.97 178.34 1gqo h TYR 137 N 0.61 0.06 -0.39 3.04 3.20 -0.75 -2.33 116.97 120.41 1gqo h TYR 137 Ca 0.27 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1gqo h TYR 137 Cb 0.17 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1gqo h TYR 137 CO -0.09 -0.02 0.23 -0.07 -1.64 0.00 0.00 178.16 176.58 1gqo h LEU 138 N 0.15 0.46 -2.82 2.82 4.07 -0.32 -0.72 115.31 118.95 1gqo h LEU 138 Ca 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1gqo h LEU 138 Cb 0.22 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1gqo h LEU 138 CO -0.25 0.36 0.03 -0.07 -1.08 0.00 0.00 178.44 177.43 1gqo h LEU 139 N 0.54 0.00 -2.62 1.67 3.38 -0.63 -0.18 115.31 117.46 1gqo h LEU 139 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gqo h LEU 139 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1gqo h LEU 139 CO -0.03 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 1gqo n SER 140 N -3.21 3.88 -0.34 -0.43 3.41 -0.28 -5.12 113.62 111.52 1gqo n SER 140 Ca -0.03 -2.13 0.04 0.00 -0.26 0.00 0.00 58.87 56.50 1gqo n SER 140 Cb 0.10 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 63.60 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88