#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 2.09 0.09 0.54 2.46 -1.25 0.46 115.29 119.67 1gqo s HIS 2 Ca 0.00 -0.88 0.06 0.00 0.47 0.00 0.00 55.06 54.71 1gqo s HIS 2 Cb 0.00 -1.45 -0.03 0.00 -0.13 0.00 0.00 32.58 30.97 1gqo s HIS 2 CO 0.00 -0.40 -0.17 -0.06 -2.47 0.00 0.00 174.74 171.64 1gqo s PHE 3 N 0.63 1.47 -0.18 3.88 2.99 -0.03 -1.24 117.98 125.49 1gqo s PHE 3 Ca -0.14 -0.46 -0.14 0.00 0.00 0.00 0.00 56.93 56.19 1gqo s PHE 3 Cb -0.16 -0.80 -0.04 0.00 0.00 0.00 0.00 43.02 42.01 1gqo s PHE 3 CO 0.04 0.13 0.33 -1.17 -0.00 0.00 0.00 175.22 174.55 1gqo s LEU 4 N -1.94 4.20 -0.43 -0.37 0.20 -0.74 -1.84 118.68 117.76 1gqo s LEU 4 Ca 0.03 0.48 -0.11 0.00 0.69 0.00 0.00 54.13 55.23 1gqo s LEU 4 Cb -0.09 -2.41 0.08 0.00 -0.43 0.00 0.00 46.19 43.33 1gqo s LEU 4 CO 0.03 0.02 0.29 -0.63 -0.29 0.00 0.00 176.35 175.78 1gqo s ILE 5 N 0.86 4.51 -0.21 6.68 -1.09 0.03 -0.83 121.20 131.16 1gqo s ILE 5 Ca 0.17 -1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 57.26 1gqo s ILE 5 Cb -0.14 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1gqo s ILE 5 CO 0.06 -0.52 -0.04 -0.22 -1.23 0.00 0.00 174.94 172.99 1gqo s LEU 6 N 1.49 2.98 -0.08 2.97 0.20 0.59 -1.70 118.68 125.12 1gqo s LEU 6 Ca 0.03 -0.33 0.05 0.00 0.69 0.00 0.00 54.13 54.56 1gqo s LEU 6 Cb -0.23 -1.75 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 1gqo s LEU 6 CO 0.03 0.02 -0.23 0.20 -0.29 0.00 0.00 176.35 176.08 1gqo s ASN 7 N 1.25 3.20 0.00 3.68 0.01 0.30 -1.70 114.94 121.68 1gqo s ASN 7 Ca 0.03 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 1gqo s ASN 7 Cb -0.14 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.35 1gqo s ASN 7 CO -0.01 0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1gqo n GLY 8 N 3.23 1.87 3.68 0.66 0.00 0.20 -1.50 105.19 113.33 1gqo n GLY 8 Ca -0.18 -2.01 -0.45 0.00 0.00 0.00 0.00 46.02 43.38 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 0.00 2.24 -0.39 1.61 -0.04 -1.01 -2.31 135.00 135.10 1gqo n PRO 9 Ca 0.00 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1gqo n PRO 9 Cb 0.00 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 3.00 0.00 0.26 3.54 3.02 -1.26 -4.44 115.26 119.38 1gqo n ASN 10 Ca 0.14 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 1gqo n ASN 10 Cb 0.31 -0.28 0.73 0.00 -0.61 0.00 0.00 39.78 39.93 1gqo n ASN 10 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1gqo h VAL 11 N 0.00 0.56 0.00 2.41 2.07 -1.83 -1.04 116.25 118.42 1gqo h VAL 11 Ca 0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1gqo h VAL 11 Cb 0.00 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1gqo h VAL 11 CO 0.00 0.11 0.00 -0.46 0.02 0.00 0.00 177.57 177.24 1gqo n ASN 12 N -3.65 0.62 -0.66 0.57 6.94 -1.26 -2.81 115.26 115.00 1gqo n ASN 12 Ca -0.02 0.63 0.13 0.00 -0.02 0.00 0.00 54.58 55.31 1gqo n ASN 12 Cb 0.23 -0.77 0.37 0.00 -2.36 0.00 0.00 39.78 37.25 1gqo n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gqo n ARG 13 N -2.17 1.91 -1.56 -3.83 5.12 -0.40 -4.72 116.66 111.01 1gqo n ARG 13 Ca 0.03 -1.33 -0.55 0.00 -1.93 0.00 0.00 57.85 54.07 1gqo n ARG 13 Cb 0.26 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.60 1.06 0.00 0.55 7.94 -1.12 -1.10 117.00 124.93 1gqo n LEU 14 Ca 0.17 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.21 1gqo n LEU 14 Cb 0.44 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.30 1gqo n LEU 14 CO 0.16 -1.34 0.00 0.61 -1.11 0.00 0.00 177.39 175.71 1gqo n GLY 15 N 2.23 3.02 2.54 -3.96 0.00 -1.23 -4.35 105.19 103.44 1gqo n GLY 15 Ca 0.19 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1gqo n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqo n SER 16 N 1.48 -3.36 0.00 1.61 7.64 -0.26 0.29 113.62 121.03 1gqo n SER 16 Ca 0.00 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1gqo n SER 16 Cb 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1gqo n SER 16 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gqo n ARG 17 N 1.38 0.00 -3.80 1.43 5.12 -1.26 -4.96 116.66 114.58 1gqo n ARG 17 Ca 0.04 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.60 1gqo n ARG 17 Cb 0.39 -1.87 -0.07 0.00 -1.16 0.00 0.00 32.46 29.75 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 0.00 3.79 0.02 5.56 8.01 0.15 -5.03 118.70 131.19 1gqo s GLU 18 Ca 0.00 -0.15 -0.04 0.00 0.01 0.00 0.00 54.97 54.79 1gqo s GLU 18 Cb 0.00 -3.29 -0.01 0.00 -4.31 0.00 0.00 34.13 26.51 1gqo s GLU 18 CO 0.00 0.56 1.07 -1.35 0.01 0.00 0.00 175.26 175.55 1gqo h PRO 19 N 5.73 -0.03 0.00 0.39 0.11 -1.86 -3.46 132.00 132.87 1gqo h PRO 19 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1gqo h PRO 19 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1gqo h PRO 19 CO 0.66 -0.02 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 1gqo n GLU 20 N -3.15 0.00 -2.54 1.05 0.00 -1.26 -4.89 120.64 109.85 1gqo n GLU 20 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1gqo n GLU 20 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.45 1gqo n GLU 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1gqo s VAL 21 N 0.00 3.92 0.00 3.84 0.11 -1.26 0.16 120.40 127.17 1gqo s VAL 21 Ca 0.00 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1gqo s VAL 21 Cb 0.00 -5.04 0.00 0.00 -1.53 0.00 0.00 36.38 29.81 1gqo s VAL 21 CO 0.00 -1.91 0.00 2.22 -3.33 0.00 0.00 175.10 172.08 1gqo n PHE 22 N 9.03 0.00 0.00 1.54 1.16 -1.26 -5.00 117.46 122.93 1gqo n PHE 22 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.92 1gqo n PHE 22 Cb 0.51 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 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 0.00 3.57 4.97 0.00 0.44 -4.63 105.19 109.54 1gqo n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -3.97 1.61 1.74 -1.26 -4.52 116.66 110.25 1gqo n ARG 24 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1gqo n ARG 24 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 1gqo n ARG 24 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1gqo s GLN 25 N 0.00 0.33 0.42 5.56 0.74 -1.26 -5.05 119.66 120.40 1gqo s GLN 25 Ca 0.00 0.02 0.08 0.00 0.05 0.00 0.00 55.36 55.50 1gqo s GLN 25 Cb 0.00 -0.45 0.01 0.00 1.10 0.00 0.00 33.01 33.67 1gqo s GLN 25 CO 0.00 -0.08 0.58 0.95 -0.55 0.00 0.00 175.29 176.18 1gqo s THR 26 N 0.75 3.03 0.19 -0.34 -4.23 -1.26 -3.53 115.64 110.26 1gqo s THR 26 Ca -0.08 -0.98 -0.10 0.00 -1.18 0.00 0.00 61.69 59.35 1gqo s THR 26 Cb -0.11 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.83 1gqo s THR 26 CO -0.01 -0.01 1.77 0.25 -0.54 0.00 0.00 174.62 176.08 1gqo h LEU 27 N 0.62 0.91 -0.45 4.79 5.85 -1.83 -1.53 115.31 123.67 1gqo h LEU 27 Ca -0.40 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.25 1gqo h LEU 27 Cb 1.28 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1gqo h LEU 27 CO 0.46 0.80 0.09 0.74 -0.34 0.00 0.00 178.44 180.19 1gqo h THR 28 N 0.96 0.76 -0.34 1.05 2.02 -1.94 0.61 112.91 116.04 1gqo h THR 28 Ca 0.24 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.40 1gqo h THR 28 Cb 0.14 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1gqo h THR 28 CO -0.03 0.04 -0.05 0.44 0.37 0.00 0.00 175.52 176.29 1gqo h ASP 29 N 0.23 -0.25 -0.50 4.18 3.32 -1.69 -1.28 116.42 120.43 1gqo h ASP 29 Ca 0.22 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.37 1gqo h ASP 29 Cb 0.27 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1gqo h ASP 29 CO -0.28 -0.08 0.33 0.40 -1.72 0.00 0.00 179.24 177.88 1gqo h ILE 30 N 0.03 1.12 -0.68 0.35 2.04 -0.25 -2.37 117.51 117.76 1gqo h ILE 30 Ca 0.16 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1gqo h ILE 30 Cb 0.24 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1gqo h ILE 30 CO -0.32 0.12 0.23 -0.33 0.00 0.00 0.00 178.15 177.85 1gqo h GLU 31 N 0.67 1.03 0.11 2.37 5.08 -0.25 -0.89 114.58 122.71 1gqo h GLU 31 Ca 0.18 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1gqo h GLU 31 Cb -0.08 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1gqo h GLU 31 CO -0.04 0.87 -0.06 1.15 -1.00 0.00 0.00 179.01 179.93 1gqo h THR 32 N 1.00 0.87 -0.87 1.13 2.02 -1.07 0.26 112.91 116.26 1gqo h THR 32 Ca 0.23 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.49 1gqo h THR 32 Cb 0.25 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1gqo h THR 32 CO -0.01 0.00 0.52 0.44 0.37 0.00 0.00 175.52 176.84 1gqo h ASP 33 N -0.16 0.78 -0.08 4.18 5.19 -1.23 -1.64 116.42 123.46 1gqo h ASP 33 Ca -0.01 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.28 1gqo h ASP 33 Cb 0.13 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1gqo h ASP 33 CO 0.02 0.46 -0.49 -0.07 -3.12 0.00 0.00 179.24 176.05 1gqo h LEU 34 N 0.90 0.70 -0.91 1.55 3.38 -0.36 -1.06 115.31 119.51 1gqo h LEU 34 Ca 0.40 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1gqo h LEU 34 Cb 0.30 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1gqo h LEU 34 CO -0.22 1.07 0.28 -0.26 0.09 0.00 0.00 178.44 179.40 1gqo h PHE 35 N 0.51 1.09 -0.22 1.13 0.04 0.13 -2.04 116.94 117.56 1gqo h PHE 35 Ca 0.02 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.60 1gqo h PHE 35 Cb 1.03 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1gqo h PHE 35 CO 0.05 0.83 -0.35 1.96 -0.60 0.00 0.00 178.31 180.20 1gqo h GLN 36 N 1.05 0.48 0.20 1.51 4.20 -0.94 -1.42 115.11 120.19 1gqo h GLN 36 Ca 0.24 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1gqo h GLN 36 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1gqo h GLN 36 CO -0.02 0.77 -0.10 0.35 -0.67 0.00 0.00 178.83 179.17 1gqo h PHE 37 N 0.41 -0.25 -0.43 2.96 3.57 -0.77 -2.95 116.94 119.48 1gqo h PHE 37 Ca 0.05 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1gqo h PHE 37 Cb 0.81 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1gqo h PHE 37 CO 0.03 -0.11 0.20 0.00 -2.23 0.00 0.00 178.31 176.20 1gqo h ALA 38 N 0.47 0.55 -0.96 2.41 0.00 -1.39 -2.24 119.26 118.10 1gqo h ALA 38 Ca -0.03 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.93 1gqo h ALA 38 Cb 0.25 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1gqo h ALA 38 CO 0.05 0.12 0.57 1.49 0.00 0.00 0.00 179.25 181.47 1gqo h GLU 39 N 0.55 0.76 0.00 0.00 4.22 -1.21 -0.07 114.58 118.83 1gqo h GLU 39 Ca 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1gqo h GLU 39 Cb 0.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1gqo h GLU 39 CO -0.02 0.50 0.00 0.00 -2.18 0.00 0.00 179.01 177.32 1gqo n ALA 40 N -2.36 2.09 -0.15 2.92 0.00 -0.88 -2.25 120.51 119.88 1gqo n ALA 40 Ca 0.20 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.61 1gqo n ALA 40 Cb 0.48 -1.38 0.13 0.00 0.00 0.00 0.00 19.45 18.68 1gqo n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gqo n LEU 41 N -1.48 2.81 -3.75 0.00 4.77 -0.17 -4.99 117.00 114.19 1gqo n LEU 41 Ca 0.06 -2.00 -0.28 0.00 -0.03 0.00 0.00 56.01 53.76 1gqo n LEU 41 Cb 0.27 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1gqo n LEU 41 CO 0.21 0.70 -0.12 1.41 -1.33 0.00 0.00 177.39 178.27 1gqo n HIS 42 N 0.39 -1.84 -4.34 -1.77 8.25 -0.45 -4.97 115.22 110.49 1gqo n HIS 42 Ca 0.10 0.59 -0.18 0.00 -0.26 0.00 0.00 57.72 57.98 1gqo n HIS 42 Cb 0.40 -3.67 -0.10 0.00 1.12 0.00 0.00 29.99 27.75 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 1.31 0.01 1.59 -4.36 -0.46 -4.40 121.20 111.25 1gqo s ILE 43 Ca 0.28 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1gqo s ILE 43 Cb -0.10 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.33 1gqo s ILE 43 CO 0.86 -0.43 -0.01 -1.10 0.24 0.00 0.00 174.94 174.50 1gqo s GLN 44 N -3.78 2.73 0.03 0.37 -0.21 0.17 -4.30 119.66 114.67 1gqo s GLN 44 Ca 0.26 -0.64 0.05 0.00 0.02 0.00 0.00 55.36 55.04 1gqo s GLN 44 Cb 0.04 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 1gqo s GLN 44 CO 0.08 0.62 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.22 1gqo s LEU 45 N -1.59 2.13 -0.05 2.90 1.43 -1.26 -0.85 118.68 121.40 1gqo s LEU 45 Ca 0.20 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1gqo s LEU 45 Cb -0.11 -0.62 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 1gqo s LEU 45 CO 0.10 0.07 -0.25 -0.89 0.23 0.00 0.00 176.35 175.61 1gqo s THR 46 N -0.70 2.04 -0.08 5.49 2.01 -0.77 -4.94 115.64 118.68 1gqo s THR 46 Ca 0.02 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 1gqo s THR 46 Cb -0.07 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1gqo s THR 46 CO 0.01 0.57 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.11 1gqo s PHE 47 N -0.29 3.03 -0.15 4.92 0.40 -1.26 -0.79 117.98 123.84 1gqo s PHE 47 Ca 0.00 0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.32 1gqo s PHE 47 Cb -0.13 -1.76 0.06 0.00 0.51 0.00 0.00 43.02 41.71 1gqo s PHE 47 CO 0.02 0.35 0.33 0.12 0.70 0.00 0.00 175.22 176.74 1gqo s PHE 48 N -0.74 -0.51 -0.03 0.36 5.36 -0.69 -4.97 117.98 116.76 1gqo s PHE 48 Ca 0.11 1.11 0.05 0.00 -0.96 0.00 0.00 56.93 57.24 1gqo s PHE 48 Cb -0.11 0.14 -0.01 0.00 -0.34 0.00 0.00 43.02 42.70 1gqo s PHE 48 CO 0.02 -0.34 -0.19 -1.14 -1.46 0.00 0.00 175.22 172.11 1gqo s GLN 49 N 1.78 1.77 0.03 10.12 -0.44 -1.26 -0.54 119.66 131.13 1gqo s GLN 49 Ca -0.06 -0.67 -0.20 0.00 -2.50 0.00 0.00 55.36 51.93 1gqo s GLN 49 Cb -0.10 -1.60 0.04 0.00 -1.64 0.00 0.00 33.01 29.71 1gqo s GLN 49 CO -0.11 0.33 0.45 0.45 0.50 0.00 0.00 175.29 176.91 1gqo s SER 50 N -0.19 -0.34 0.00 6.67 0.15 -0.56 -4.99 113.70 114.45 1gqo s SER 50 Ca 0.01 0.09 0.25 0.00 0.70 0.00 0.00 55.95 57.01 1gqo s SER 50 Cb -0.10 0.44 0.54 0.00 -1.71 0.00 0.00 66.02 65.19 1gqo s SER 50 CO 0.01 -0.66 1.43 0.59 1.20 0.00 0.00 173.24 175.82 1gqo n ASN 51 N 0.57 1.50 -4.64 5.45 3.02 -1.26 -2.41 115.26 117.49 1gqo n ASN 51 Ca -0.19 -1.22 -0.38 0.00 -0.03 0.00 0.00 54.58 52.76 1gqo n ASN 51 Cb 0.59 0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 39.89 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 -2.40 3.30 0.27 3.10 3.76 -1.26 -4.60 115.29 117.46 1gqo s HIS 52 Ca 0.25 0.47 -0.00 0.00 -0.15 0.00 0.00 55.06 55.62 1gqo s HIS 52 Cb 0.19 -2.52 0.58 0.00 1.11 0.00 0.00 32.58 31.95 1gqo s HIS 52 CO 0.50 -0.11 1.72 1.49 -0.85 0.00 0.00 174.74 177.48 1gqo h GLU 53 N 7.79 0.42 -0.70 1.40 4.81 -2.01 -2.16 114.58 124.13 1gqo h GLU 53 Ca -0.34 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1gqo h GLU 53 Cb 1.16 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1gqo h GLU 53 CO 0.67 0.28 0.32 0.78 -0.73 0.00 0.00 179.01 180.33 1gqo h GLY 54 N 0.43 1.08 1.88 1.92 0.00 -1.99 -1.74 103.07 104.66 1gqo h GLY 54 Ca 0.48 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 1gqo h GLY 54 CO -0.46 0.51 -0.50 -0.55 0.00 0.00 0.00 176.54 175.53 1gqo h ASP 55 N 1.00 0.13 -0.10 0.19 3.32 -1.81 -1.28 116.42 117.88 1gqo h ASP 55 Ca 0.24 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 1gqo h ASP 55 Cb 0.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1gqo h ASP 55 CO -0.03 0.61 -0.67 -0.07 -1.72 0.00 0.00 179.24 177.37 1gqo h LEU 56 N 0.10 0.84 0.66 1.55 3.38 -1.22 -2.43 115.31 118.19 1gqo h LEU 56 Ca 0.00 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1gqo h LEU 56 Cb 0.92 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1gqo h LEU 56 CO 0.07 1.28 -0.32 0.40 0.09 0.00 0.00 178.44 179.97 1gqo h ILE 57 N 0.53 0.34 -0.83 1.22 2.04 -1.22 -1.28 117.51 118.31 1gqo h ILE 57 Ca -0.02 -0.06 0.21 0.00 1.00 0.00 0.00 64.86 65.99 1gqo h ILE 57 Cb 1.27 0.36 -0.14 0.00 -0.74 0.00 0.00 36.82 37.57 1gqo h ILE 57 CO 0.14 0.01 0.11 0.44 0.00 0.00 0.00 178.15 178.85 1gqo h ASP 58 N -0.92 -0.20 -0.33 1.72 3.32 -1.26 -0.56 116.42 118.19 1gqo h ASP 58 Ca -0.09 0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1gqo h ASP 58 Cb 0.69 0.32 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1gqo h ASP 58 CO 0.15 -0.18 -0.07 0.00 -1.72 0.00 0.00 179.24 177.41 1gqo h ALA 59 N 1.76 1.08 -0.25 3.45 0.00 -1.30 -1.94 119.26 122.06 1gqo h ALA 59 Ca 0.49 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1gqo h ALA 59 Cb 0.94 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1gqo h ALA 59 CO -0.68 0.57 -0.41 0.82 0.00 0.00 0.00 179.25 179.56 1gqo h ILE 60 N 0.67 1.30 -0.80 0.00 2.04 0.07 -1.67 117.51 119.12 1gqo h ILE 60 Ca 0.12 -1.60 0.01 0.00 1.00 0.00 0.00 64.86 64.39 1gqo h ILE 60 Cb 0.52 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1gqo h ILE 60 CO 0.03 0.51 0.53 0.45 0.00 0.00 0.00 178.15 179.67 1gqo h HIS 61 N 0.45 1.00 0.00 1.37 3.86 -1.03 -2.32 115.15 118.49 1gqo h HIS 61 Ca 0.02 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1gqo h HIS 61 Cb 1.00 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1gqo h HIS 61 CO 0.08 0.62 0.00 0.39 0.86 0.00 0.00 177.93 179.88 1gqo n GLU 62 N -4.54 0.06 -0.23 2.45 1.02 -0.75 -3.89 120.64 114.77 1gqo n GLU 62 Ca 0.08 0.11 -0.08 0.00 -0.02 0.00 0.00 57.16 57.25 1gqo n GLU 62 Cb 0.02 -1.58 0.04 0.00 -0.02 0.00 0.00 31.44 29.91 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 2.78 0.88 -1.08 0.62 0.00 -0.71 -3.26 119.26 118.49 1gqo h ALA 63 Ca 0.00 -0.29 0.30 0.00 0.00 0.00 0.00 54.91 54.91 1gqo h ALA 63 Cb 0.49 -0.24 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 1gqo h ALA 63 CO 0.00 0.67 0.68 1.49 0.00 0.00 0.00 179.25 182.09 1gqo h GLU 64 N 1.01 0.35 -0.58 0.00 4.57 -1.70 0.44 114.58 118.69 1gqo h GLU 64 Ca 0.19 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1gqo h GLU 64 Cb 0.50 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1gqo h GLU 64 CO 0.02 0.23 0.00 0.39 -1.18 0.00 0.00 179.01 178.47 1gqo n GLU 65 N -4.72 2.44 0.00 1.92 1.02 -1.23 -4.59 120.64 115.48 1gqo n GLU 65 Ca 0.28 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.20 1gqo n GLU 65 Cb 0.96 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 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 1.32 1.71 -4.47 3.49 7.27 0.50 -5.13 117.38 122.07 1gqo n GLN 66 Ca 0.21 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.01 1gqo n GLN 66 Cb 0.53 -0.43 -0.10 0.00 2.41 0.00 0.00 30.24 32.66 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 -0.66 2.50 -1.72 3.69 1.51 0.13 -4.96 117.35 117.83 1gqo s TYR 67 Ca 0.00 -0.55 0.16 0.00 -1.01 0.00 0.00 57.07 55.66 1gqo s TYR 67 Cb 0.00 -1.62 0.27 0.00 -0.11 0.00 0.00 41.96 40.50 1gqo s TYR 67 CO 0.00 0.46 1.17 -1.13 -1.11 0.00 0.00 175.55 174.94 1gqo n SER 68 N -0.95 2.79 -3.63 2.29 3.41 -0.37 -4.69 113.62 112.47 1gqo n SER 68 Ca -0.04 -1.82 -0.03 0.00 -0.26 0.00 0.00 58.87 56.72 1gqo n SER 68 Cb 0.65 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.19 -0.13 -0.03 5.00 0.00 -1.26 -4.34 107.32 105.37 1gqo s GLY 69 Ca 0.25 2.16 0.02 0.00 0.00 0.00 0.00 44.72 47.16 1gqo s GLY 69 CO 0.21 0.80 -0.08 -0.42 0.00 0.00 0.00 173.10 173.61 1gqo s ILE 70 N -1.73 0.75 -0.34 0.90 1.01 -0.56 -1.79 121.20 119.44 1gqo s ILE 70 Ca 0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1gqo s ILE 70 Cb -0.01 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.82 1gqo s ILE 70 CO -0.05 0.24 0.12 -0.69 0.00 0.00 0.00 174.94 174.56 1gqo s VAL 71 N 0.25 3.90 -0.13 2.92 1.01 -0.01 -1.41 120.40 126.93 1gqo s VAL 71 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1gqo s VAL 71 Cb -0.09 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1gqo s VAL 71 CO 0.00 -0.17 -0.15 -0.22 0.00 0.00 0.00 175.10 174.56 1gqo s LEU 72 N 1.43 2.54 -0.43 3.92 2.96 -0.27 -0.30 118.68 128.52 1gqo s LEU 72 Ca -0.01 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1gqo s LEU 72 Cb -0.19 -1.56 0.12 0.00 0.50 0.00 0.00 46.19 45.06 1gqo s LEU 72 CO 0.03 0.14 0.19 0.21 -1.32 0.00 0.00 176.35 175.60 1gqo s ASN 73 N 0.51 4.11 0.00 3.68 3.84 -0.69 0.11 114.94 126.50 1gqo s ASN 73 Ca -0.10 -2.54 0.14 0.00 0.21 0.00 0.00 52.86 50.57 1gqo s ASN 73 Cb -0.16 -1.31 0.49 0.00 -0.55 0.00 0.00 41.25 39.73 1gqo s ASN 73 CO 0.04 -0.29 1.37 -0.81 -2.79 0.00 0.00 177.10 174.62 1gqo n PRO 74 N 3.70 1.67 0.00 0.43 -0.04 -1.26 0.60 135.00 140.11 1gqo n PRO 74 Ca 0.05 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 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 1.03 1.30 0.00 0.55 0.00 -1.26 -2.70 105.19 104.11 1gqo n GLY 75 Ca 0.13 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.62 1gqo n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqo n ALA 76 N 5.50 1.43 0.27 4.61 0.00 -1.26 -1.69 120.51 129.37 1gqo n ALA 76 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 53.44 53.57 1gqo n ALA 76 Cb 0.00 -1.15 0.66 0.00 0.00 0.00 0.00 19.45 18.96 1gqo n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1gqo h LEU 77 N 0.00 0.00 -0.74 0.00 3.38 -1.88 -2.08 115.31 114.00 1gqo h LEU 77 Ca 0.00 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1gqo h LEU 77 Cb 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 1gqo h LEU 77 CO 0.00 0.03 0.14 -1.28 0.09 0.00 0.00 178.44 177.42 1gqo h SER 78 N 0.00 -0.07 1.05 -0.43 0.87 -1.48 0.14 113.55 113.63 1gqo h SER 78 Ca -0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1gqo h SER 78 Cb 0.54 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1gqo h SER 78 CO 0.00 -0.08 0.00 1.41 -0.53 0.00 0.00 176.83 177.64 1gqo n HIS 79 N -5.20 0.51 -0.42 2.24 8.25 -0.78 -1.06 115.22 118.76 1gqo n HIS 79 Ca 0.14 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1gqo n HIS 79 Cb 0.47 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 -1.93 0.00 -2.89 4.41 0.18 -0.94 -4.56 117.16 111.43 1gqo n TYR 80 Ca 0.05 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.40 1gqo n TYR 80 Cb 0.33 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.26 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 6.40 0.40 9.48 0.15 -0.01 -4.79 113.70 125.34 1gqo s SER 81 Ca 0.00 -1.53 0.14 0.00 0.70 0.00 0.00 55.95 55.26 1gqo s SER 81 Cb 0.00 -2.41 0.83 0.00 -1.71 0.00 0.00 66.02 62.73 1gqo s SER 81 CO 0.00 -1.25 1.88 1.88 1.20 0.00 0.00 173.24 176.95 1gqo h TYR 82 N 9.22 0.00 -0.37 3.44 0.99 -1.90 -2.68 116.97 125.67 1gqo h TYR 82 Ca -0.05 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 1gqo h TYR 82 Cb 1.05 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.76 1gqo h TYR 82 CO 1.07 0.31 -0.02 0.00 -0.00 0.00 0.00 178.16 179.51 1gqo h ALA 83 N 1.69 1.28 -0.17 3.88 0.00 -1.98 -0.89 119.26 123.07 1gqo h ALA 83 Ca -0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1gqo h ALA 83 Cb 0.55 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gqo h ALA 83 CO 0.04 0.49 -0.62 0.82 0.00 0.00 0.00 179.25 179.97 1gqo h ILE 84 N 0.56 1.32 0.25 0.00 2.04 -1.89 -2.04 117.51 117.75 1gqo h ILE 84 Ca 0.11 -1.89 0.01 0.00 1.00 0.00 0.00 64.86 64.09 1gqo h ILE 84 Cb 0.39 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1gqo h ILE 84 CO 0.02 0.59 -0.30 -0.09 0.00 0.00 0.00 178.15 178.36 1gqo h ARG 85 N 0.43 -0.58 0.00 2.37 2.43 -1.10 -0.95 114.38 116.97 1gqo h ARG 85 Ca -0.01 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1gqo h ARG 85 Cb 1.19 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1gqo h ARG 85 CO 0.12 -0.38 -0.08 -0.44 -1.51 0.00 0.00 179.97 177.67 1gqo h ASP 86 N -0.60 0.00 0.17 -3.80 5.19 -1.03 -2.59 116.42 113.76 1gqo h ASP 86 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1gqo h ASP 86 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1gqo h ASP 86 CO -0.10 0.08 -0.08 0.00 -3.12 0.00 0.00 179.24 176.03 1gqo h ALA 87 N 1.92 -0.23 -0.64 3.45 0.00 -0.73 -2.10 119.26 120.93 1gqo h ALA 87 Ca -0.00 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.82 1gqo h ALA 87 Cb 0.16 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1gqo h ALA 87 CO 0.01 -0.44 0.26 0.28 0.00 0.00 0.00 179.25 179.36 1gqo h VAL 88 N -0.61 0.78 -0.10 0.00 2.07 -0.89 -1.96 116.25 115.54 1gqo h VAL 88 Ca -0.02 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1gqo h VAL 88 Cb 0.45 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1gqo h VAL 88 CO 0.04 0.08 -0.16 0.28 0.02 0.00 0.00 177.57 177.83 1gqo h SER 89 N 0.45 0.15 0.17 0.57 0.02 -1.31 -3.19 113.55 110.41 1gqo h SER 89 Ca 0.32 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1gqo h SER 89 Cb 0.39 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1gqo h SER 89 CO -0.30 0.33 -0.01 -1.54 -1.14 0.00 0.00 176.83 174.17 1gqo n SER 90 N -4.28 0.09 -4.64 3.07 3.41 -0.74 -4.84 113.62 105.70 1gqo n SER 90 Ca -0.01 -0.77 -0.23 0.00 -0.26 0.00 0.00 58.87 57.59 1gqo n SER 90 Cb 0.27 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.18 3.07 -2.26 -1.33 -4.36 -1.21 -5.05 121.20 107.89 1gqo s ILE 91 Ca 0.41 -1.94 0.23 0.00 -0.26 0.00 0.00 60.65 59.09 1gqo s ILE 91 Cb 0.21 -2.80 0.04 0.00 1.25 0.00 0.00 42.46 41.16 1gqo s ILE 91 CO 0.40 -0.30 1.14 -1.54 0.24 0.00 0.00 174.94 174.88 1gqo n SER 92 N -0.93 2.24 -4.84 4.36 3.41 -1.26 -4.98 113.62 111.63 1gqo n SER 92 Ca -0.05 -1.62 -0.31 0.00 -0.26 0.00 0.00 58.87 56.62 1gqo n SER 92 Cb 0.60 0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.94 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 -2.37 3.27 0.02 1.04 1.43 -1.26 -5.01 118.68 115.80 1gqo s LEU 93 Ca 0.21 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.59 1gqo s LEU 93 Cb 0.19 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.86 1gqo s LEU 93 CO 0.51 -1.13 1.19 -2.16 0.23 0.00 0.00 176.35 174.99 1gqo s PRO 94 N -4.84 4.41 -0.06 1.29 0.04 -1.26 -4.90 135.00 129.68 1gqo s PRO 94 Ca 0.58 1.73 0.06 0.00 0.04 0.00 0.00 61.00 63.40 1gqo s PRO 94 Cb -0.13 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 1gqo s PRO 94 CO 0.49 -0.31 -0.24 0.08 0.04 0.00 0.00 177.00 177.07 1gqo s VAL 95 N 1.43 1.97 -0.17 -0.36 1.01 -1.26 -1.49 120.40 121.53 1gqo s VAL 95 Ca 0.58 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1gqo s VAL 95 Cb -0.28 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1gqo s VAL 95 CO 0.27 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 175.07 1gqo s VAL 96 N -0.10 2.55 0.13 2.92 1.01 -0.50 -1.21 120.40 125.20 1gqo s VAL 96 Ca -0.05 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 1gqo s VAL 96 Cb -0.14 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1gqo s VAL 96 CO 0.04 0.51 0.78 -0.70 0.00 0.00 0.00 175.10 175.73 1gqo s GLU 97 N 1.00 4.55 -0.01 2.72 2.12 -0.88 -1.12 118.70 127.07 1gqo s GLU 97 Ca -0.02 1.14 0.03 0.00 0.36 0.00 0.00 54.97 56.47 1gqo s GLU 97 Cb -0.15 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1gqo s GLU 97 CO -0.03 0.48 -0.08 0.08 -0.54 0.00 0.00 175.26 175.16 1gqo s VAL 98 N -0.79 0.67 -0.01 3.70 1.01 0.31 -0.86 120.40 124.43 1gqo s VAL 98 Ca 0.37 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1gqo s VAL 98 Cb -0.22 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1gqo s VAL 98 CO 0.25 0.19 -0.07 -1.00 0.00 0.00 0.00 175.10 174.48 1gqo s HIS 99 N -0.16 0.70 0.02 5.22 3.76 -0.50 -4.16 115.29 120.18 1gqo s HIS 99 Ca 0.03 -0.15 -0.20 0.00 -0.15 0.00 0.00 55.06 54.59 1gqo s HIS 99 Cb -0.04 -0.49 -0.19 0.00 1.11 0.00 0.00 32.58 32.97 1gqo s HIS 99 CO -0.00 -0.05 1.20 -0.07 -0.85 0.00 0.00 174.74 174.97 1gqo h LEU 100 N 6.24 0.49-10.47 0.89 4.07 -1.87 -2.62 115.31 112.04 1gqo h LEU 100 Ca -0.32 -0.65 -0.47 0.00 0.08 0.00 0.00 57.88 56.53 1gqo h LEU 100 Cb 1.18 -0.14 0.06 0.00 1.08 0.00 0.00 40.66 42.83 1gqo h LEU 100 CO 0.49 1.06 0.17 -0.94 -1.08 0.00 0.00 178.44 178.14 1gqo s SER 101 N -6.51 5.35 -1.07 -0.43 1.04 -1.26 -1.17 113.70 109.66 1gqo s SER 101 Ca -0.14 0.59 -0.21 0.00 0.48 0.00 0.00 55.95 56.68 1gqo s SER 101 Cb 0.04 -1.48 0.08 0.00 0.10 0.00 0.00 66.02 64.76 1gqo s SER 101 CO 0.80 -1.21 1.43 0.21 0.98 0.00 0.00 173.24 175.45 1gqo s ASN 102 N -4.37 6.63 0.54 7.02 3.84 -1.26 -2.21 114.94 125.13 1gqo s ASN 102 Ca 0.56 -1.87 0.32 0.00 0.21 0.00 0.00 52.86 52.08 1gqo s ASN 102 Cb -0.11 -2.52 1.49 0.00 -0.55 0.00 0.00 41.25 39.56 1gqo s ASN 102 CO 0.44 -1.30 1.89 -0.07 -2.79 0.00 0.00 177.10 175.27 1gqo h LEU 103 N 12.03 0.00 -2.57 3.21 3.38 -1.92 -1.95 115.31 127.50 1gqo h LEU 103 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1gqo h LEU 103 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1gqo h LEU 103 CO 1.35 0.00 0.00 1.88 0.09 0.00 0.00 178.44 181.76 1gqo h TYR 104 N 0.00 0.00 -0.14 1.13 -1.99 -1.89 0.42 116.97 114.50 1gqo h TYR 104 Ca 0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.16 1gqo h TYR 104 Cb 1.72 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.45 1gqo h TYR 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1gqo n ALA 105 N -2.07 2.45 -2.62 3.88 0.00 -0.73 -4.97 120.51 116.44 1gqo n ALA 105 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1gqo n ALA 105 Cb 0.13 -0.82 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 1.39 3.81 -1.70 0.00 1.74 0.14 -5.06 116.66 116.98 1gqo n ARG 106 Ca 0.16 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.84 1gqo n ARG 106 Cb 0.60 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.07 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 1.65 -0.32 5.56 4.71 -1.26 -4.87 120.64 126.11 1gqo n GLU 107 Ca 0.00 0.60 0.20 0.00 -0.01 0.00 0.00 57.16 57.95 1gqo n GLU 107 Cb 0.00 -2.40 0.46 0.00 -1.01 0.00 0.00 31.44 28.49 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 1.56 0.46 0.00 3.49 4.81 -1.95 0.52 114.58 123.47 1gqo h GLU 108 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1gqo h GLU 108 Cb 1.31 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1gqo h GLU 108 CO 0.57 0.31 0.00 0.27 -0.73 0.00 0.00 179.01 179.43 1gqo h PHE 109 N 0.48 0.00 -0.00 0.92 -5.15 -1.96 -1.21 116.94 110.01 1gqo h PHE 109 Ca 0.58 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.35 1gqo h PHE 109 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 1gqo h PHE 109 CO -0.00 0.00 -0.06 0.54 -2.00 0.00 0.00 178.31 176.79 1gqo n ARG 110 N -3.01 0.72 -0.01 6.09 1.74 0.17 -4.08 116.66 118.29 1gqo n ARG 110 Ca -0.00 -0.17 0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1gqo n ARG 110 Cb 0.25 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 30.76 1gqo n ARG 110 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gqo n HIS 111 N -0.99 0.02 -4.18 -1.55 8.25 -0.46 -4.75 115.22 111.57 1gqo n HIS 111 Ca 0.16 -0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.45 1gqo n HIS 111 Cb 0.24 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.23 1gqo n HIS 111 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1gqo s GLN 112 N -1.98 0.62 -0.15 -0.41 0.74 -1.26 -4.99 119.66 112.23 1gqo s GLN 112 Ca 0.30 -0.59 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 1gqo s GLN 112 Cb 0.14 -0.52 -0.01 0.00 1.10 0.00 0.00 33.01 33.72 1gqo s GLN 112 CO 0.23 0.12 -0.11 0.45 -0.55 0.00 0.00 175.29 175.43 1gqo s SER 113 N -1.03 4.08 0.00 6.67 0.15 -1.26 -4.14 113.70 118.16 1gqo s SER 113 Ca -0.03 -0.34 0.29 0.00 0.70 0.00 0.00 55.95 56.58 1gqo s SER 113 Cb -0.07 -1.64 1.76 0.00 -1.71 0.00 0.00 66.02 64.36 1gqo s SER 113 CO 0.00 0.13 2.10 1.33 1.20 0.00 0.00 173.24 178.01 1gqo n VAL 114 N 3.79 0.00 -0.10 4.45 0.24 -0.22 -3.90 118.33 122.59 1gqo n VAL 114 Ca -0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 1gqo n VAL 114 Cb 0.52 -0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 32.27 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 -0.99 1.18 -0.29 1.34 5.41 -1.26 -4.60 119.36 120.16 1gqo n ILE 115 Ca 0.22 -0.57 0.12 0.00 1.00 0.00 0.00 62.75 63.53 1gqo n ILE 115 Cb 0.10 -0.96 0.37 0.00 -0.71 0.00 0.00 39.64 38.44 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 0.34 1.81 -0.88 -1.39 0.00 -1.92 -2.00 119.26 115.22 1gqo h ALA 116 Ca -0.46 0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.65 1gqo h ALA 116 Cb 1.86 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 1gqo h ALA 116 CO -0.03 -0.08 0.58 -1.35 0.00 0.00 0.00 179.25 178.37 1gqo h PRO 117 N 0.71 0.49 -0.06 0.00 0.11 -1.81 -2.39 132.00 129.04 1gqo h PRO 117 Ca 0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1gqo h PRO 117 Cb 0.76 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1gqo h PRO 117 CO -0.23 0.32 0.00 1.33 -0.21 0.00 0.00 178.00 179.21 1gqo n VAL 118 N -4.53 0.05 -2.60 3.15 0.24 -0.76 -4.96 118.33 108.91 1gqo n VAL 118 Ca 0.18 -0.52 -0.20 0.00 -2.04 0.00 0.00 64.34 61.76 1gqo n VAL 118 Cb 0.61 1.44 0.10 0.00 -1.47 0.00 0.00 33.84 34.51 1gqo n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gqo n ALA 119 N 1.31 0.23 -0.09 2.33 0.00 -0.90 -4.71 120.51 118.67 1gqo n ALA 119 Ca 0.14 -1.72 -0.14 0.00 0.00 0.00 0.00 53.44 51.72 1gqo n ALA 119 Cb 0.58 0.30 -0.04 0.00 0.00 0.00 0.00 19.45 20.29 1gqo n ALA 119 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gqo h LYS 120 N 0.00 0.81 0.00 0.00 1.79 -1.44 -3.49 116.57 114.24 1gqo h LYS 120 Ca -0.29 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 57.72 1gqo h LYS 120 Cb 1.07 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1gqo h LYS 120 CO 0.31 1.10 0.00 0.41 -1.08 0.00 0.00 179.45 180.19 1gqo n GLY 121 N 0.24 0.53 3.37 3.86 0.00 -1.26 -5.07 105.19 106.86 1gqo n GLY 121 Ca -0.04 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.91 0.69 -0.14 1.61 0.74 -1.26 -2.08 119.66 117.31 1gqo s GLN 122 Ca 0.00 0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.77 1gqo s GLN 122 Cb 0.00 0.33 0.01 0.00 1.10 0.00 0.00 33.01 34.45 1gqo s GLN 122 CO 0.00 -0.15 -0.20 0.42 -0.55 0.00 0.00 175.29 174.81 1gqo s ILE 123 N -0.49 1.93 -0.04 -2.34 1.01 -0.04 -4.98 121.20 116.26 1gqo s ILE 123 Ca -0.06 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1gqo s ILE 123 Cb -0.03 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1gqo s ILE 123 CO 0.04 0.52 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 1gqo s VAL 124 N 0.93 0.78 0.00 2.92 1.01 -1.26 -1.41 120.40 123.38 1gqo s VAL 124 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1gqo s VAL 124 Cb -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1gqo s VAL 124 CO -0.04 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1gqo n GLY 125 N 3.56 0.82 1.51 4.51 0.00 -0.94 -4.85 105.19 109.80 1gqo n GLY 125 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 4.45 0.00 0.99 4.77 -1.22 -4.54 117.00 121.45 1gqo n LEU 126 Ca 0.00 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 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 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1gqo n GLY 127 N 0.05 0.77 0.27 -0.72 0.00 -0.32 -3.43 105.19 101.80 1gqo n GLY 127 Ca 0.25 -0.84 0.18 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 -0.88 1.00 -0.32 4.61 0.00 -1.95 -0.70 119.26 121.02 1gqo h ALA 128 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1gqo h ALA 128 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gqo h ALA 128 CO 0.00 0.00 0.23 1.49 0.00 0.00 0.00 179.25 180.97 1gqo h GLU 129 N 0.00 0.00 -0.87 0.00 4.57 -1.98 -1.68 114.58 114.62 1gqo h GLU 129 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 1gqo h GLU 129 Cb 0.29 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 1gqo h GLU 129 CO 0.00 0.00 0.56 0.78 -1.18 0.00 0.00 179.01 179.17 1gqo h GLY 130 N 0.00 1.17 1.51 1.92 0.00 -1.14 -0.16 103.07 106.36 1gqo h GLY 130 Ca 0.15 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1gqo h GLY 130 CO -0.00 0.12 -0.22 -0.97 0.00 0.00 0.00 176.54 175.46 1gqo h TYR 131 N 0.71 0.64 -0.08 5.60 -1.99 -1.52 -1.76 116.97 118.57 1gqo h TYR 131 Ca 0.43 -0.13 -0.04 0.00 2.00 0.00 0.00 58.73 60.99 1gqo h TYR 131 Cb 0.64 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 1gqo h TYR 131 CO -0.00 0.75 -0.10 0.87 -0.00 0.00 0.00 178.16 179.68 1gqo h LYS 132 N 0.51 0.21 -0.98 4.88 1.57 -1.18 -1.85 116.57 119.73 1gqo h LYS 132 Ca 0.08 -0.12 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1gqo h LYS 132 Cb 0.66 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 1gqo h LYS 132 CO 0.05 0.67 0.62 -0.07 -0.57 0.00 0.00 179.45 180.15 1gqo h LEU 133 N -0.23 0.87 -0.34 2.94 3.38 -1.15 -0.23 115.31 120.54 1gqo h LEU 133 Ca 0.01 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1gqo h LEU 133 Cb 0.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1gqo h LEU 133 CO 0.02 0.44 -0.28 0.00 0.09 0.00 0.00 178.44 178.71 1gqo h ALA 134 N 1.56 0.50 -0.64 1.53 0.00 -1.21 -2.16 119.26 118.84 1gqo h ALA 134 Ca 0.50 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1gqo h ALA 134 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1gqo h ALA 134 CO -0.27 0.51 0.42 0.28 0.00 0.00 0.00 179.25 180.20 1gqo h VAL 135 N 0.58 1.14 -0.77 0.00 2.07 -0.86 -0.62 116.25 117.80 1gqo h VAL 135 Ca 0.06 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1gqo h VAL 135 Cb 0.85 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1gqo h VAL 135 CO 0.07 0.15 0.42 0.03 0.02 0.00 0.00 177.57 178.26 1gqo h ARG 136 N 0.85 1.07 -0.07 1.57 3.08 -0.94 0.65 114.38 120.58 1gqo h ARG 136 Ca 0.24 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1gqo h ARG 136 Cb -0.07 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 1gqo h ARG 136 CO -0.06 0.78 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.70 1gqo h TYR 137 N 1.07 0.14 -0.96 3.04 3.20 -0.98 -1.68 116.97 120.79 1gqo h TYR 137 Ca 0.27 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.17 1gqo h TYR 137 Cb 0.03 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 1gqo h TYR 137 CO 0.01 0.40 0.62 -0.07 -1.64 0.00 0.00 178.16 177.48 1gqo h LEU 138 N -0.17 1.00 -0.61 2.82 4.07 -0.53 -2.06 115.31 119.83 1gqo h LEU 138 Ca 0.02 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 1gqo h LEU 138 Cb 0.35 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1gqo h LEU 138 CO 0.00 0.65 0.08 -0.07 -1.08 0.00 0.00 178.44 178.02 1gqo h LEU 139 N 1.14 0.99 0.00 1.67 3.38 -0.81 -1.79 115.31 119.89 1gqo h LEU 139 Ca 0.41 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gqo h LEU 139 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1gqo h LEU 139 CO -0.16 1.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.84 1gqo n SER 140 N -4.27 0.00 -0.62 -0.43 3.41 -0.64 -5.10 113.62 105.97 1gqo n SER 140 Ca 0.03 0.27 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 1gqo n SER 140 Cb 0.29 -0.35 0.40 0.00 -0.26 0.00 0.00 64.21 64.29 1gqo n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88