#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqo s HIS 2 N 0.00 1.74 0.14 0.54 2.46 -1.25 0.16 115.29 119.08 1gqo s HIS 2 Ca 0.00 -0.95 0.10 0.00 0.47 0.00 0.00 55.06 54.68 1gqo s HIS 2 Cb 0.00 -1.36 -0.04 0.00 -0.13 0.00 0.00 32.58 31.05 1gqo s HIS 2 CO 0.00 -0.58 -0.22 -0.06 -2.47 0.00 0.00 174.74 171.41 1gqo s PHE 3 N 1.62 2.43 -0.15 3.88 2.99 0.14 -1.59 117.98 127.31 1gqo s PHE 3 Ca 0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 56.93 56.48 1gqo s PHE 3 Cb -0.13 -1.28 -0.04 0.00 0.00 0.00 0.00 43.02 41.57 1gqo s PHE 3 CO -0.09 0.39 0.45 -1.17 -0.00 0.00 0.00 175.22 174.81 1gqo s LEU 4 N -2.22 4.23 -0.37 -0.37 0.20 -0.90 -1.11 118.68 118.15 1gqo s LEU 4 Ca 0.17 0.72 -0.10 0.00 0.69 0.00 0.00 54.13 55.61 1gqo s LEU 4 Cb -0.10 -2.64 0.03 0.00 -0.43 0.00 0.00 46.19 43.05 1gqo s LEU 4 CO 0.09 -0.03 0.18 -0.63 -0.29 0.00 0.00 176.35 175.67 1gqo s ILE 5 N 0.87 4.36 -0.21 6.68 -1.09 0.65 -1.66 121.20 130.80 1gqo s ILE 5 Ca 0.24 -0.96 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 1gqo s ILE 5 Cb -0.15 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1gqo s ILE 5 CO 0.09 -0.24 -0.07 -0.22 -1.23 0.00 0.00 174.94 173.28 1gqo s LEU 6 N 1.51 2.80 -0.07 2.97 0.20 0.79 -1.74 118.68 125.14 1gqo s LEU 6 Ca 0.01 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.46 1gqo s LEU 6 Cb -0.19 -1.70 0.00 0.00 -0.43 0.00 0.00 46.19 43.87 1gqo s LEU 6 CO 0.06 -0.00 -0.20 0.20 -0.29 0.00 0.00 176.35 176.11 1gqo s ASN 7 N 1.36 2.64 0.06 3.68 0.01 -0.50 -1.61 114.94 120.57 1gqo s ASN 7 Ca 0.04 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1gqo s ASN 7 Cb -0.14 -1.03 0.00 0.00 0.41 0.00 0.00 41.25 40.49 1gqo s ASN 7 CO -0.04 0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 1gqo n GLY 8 N 3.40 1.29 3.73 0.66 0.00 0.15 -1.84 105.19 112.58 1gqo n GLY 8 Ca -0.19 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 1gqo n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gqo n PRO 9 N -0.25 1.93 -0.42 1.61 -0.01 -1.08 -2.39 135.00 134.39 1gqo n PRO 9 Ca 0.00 0.69 0.00 0.00 -0.01 0.00 0.00 63.50 64.18 1gqo n PRO 9 Cb 0.00 -2.52 0.00 0.00 -0.01 0.00 0.00 33.50 30.97 1gqo n PRO 9 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1gqo n ASN 10 N -0.34 0.00 0.15 2.55 3.02 -1.26 -4.46 115.26 114.92 1gqo n ASN 10 Ca 0.08 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.66 1gqo n ASN 10 Cb 0.42 -1.88 0.44 0.00 -0.61 0.00 0.00 39.78 38.15 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 1.15 0.00 2.41 2.07 -1.85 -1.13 116.25 118.90 1gqo h VAL 11 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1gqo h VAL 11 Cb 0.00 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1gqo h VAL 11 CO 0.00 0.20 0.00 -0.55 0.02 0.00 0.00 177.57 177.24 1gqo h ASN 12 N 0.16 0.00 -0.36 0.57 -1.07 -1.88 -2.33 115.58 110.66 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 0.31 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.56 1gqo h ASN 12 CO 0.02 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.06 1gqo n ARG 13 N -2.38 2.05 -1.65 4.14 5.12 -0.43 -4.69 116.66 118.82 1gqo n ARG 13 Ca -0.01 -1.61 -0.48 0.00 -1.93 0.00 0.00 57.85 53.82 1gqo n ARG 13 Cb 0.08 -1.40 -0.05 0.00 -1.16 0.00 0.00 32.46 29.94 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 0.81 2.74 0.00 0.55 7.94 -0.88 -2.60 117.00 125.56 1gqo n LEU 14 Ca 0.16 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1gqo n LEU 14 Cb 0.41 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.02 1gqo n LEU 14 CO 0.12 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 176.56 1gqo n GLY 15 N 3.37 2.36 0.00 -3.96 0.00 -1.26 -4.03 105.19 101.67 1gqo n GLY 15 Ca 0.19 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1gqo n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqo n SER 16 N 1.18 0.00 0.00 1.61 3.41 -1.07 -5.09 113.62 113.66 1gqo n SER 16 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1gqo n SER 16 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1gqo n SER 16 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1gqo n GLN 25 N 0.00 0.00 -4.08 4.33 7.27 -1.26 -5.21 117.38 118.43 1gqo n GLN 25 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 1gqo n GLN 25 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 1gqo n GLN 25 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1gqo s THR 26 N 0.00 2.38 0.27 1.69 -4.23 -1.26 -4.78 115.64 109.72 1gqo s THR 26 Ca 0.00 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1gqo s THR 26 Cb 0.00 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.93 1gqo s THR 26 CO 0.00 -0.01 1.74 0.25 -0.54 0.00 0.00 174.62 176.05 1gqo h LEU 27 N 1.40 0.61 -0.50 4.79 5.85 -1.83 -1.69 115.31 123.94 1gqo h LEU 27 Ca -0.43 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.13 1gqo h LEU 27 Cb 1.25 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1gqo h LEU 27 CO 0.68 0.78 0.32 0.74 -0.34 0.00 0.00 178.44 180.62 1gqo h THR 28 N 0.56 1.10 -0.43 1.05 2.02 -1.94 -0.48 112.91 114.78 1gqo h THR 28 Ca 0.09 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.11 1gqo h THR 28 Cb 0.58 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 1gqo h THR 28 CO 0.04 0.12 0.13 0.44 0.37 0.00 0.00 175.52 176.62 1gqo h ASP 29 N 0.64 0.12 -0.50 4.18 3.32 -1.74 -1.49 116.42 120.95 1gqo h ASP 29 Ca 0.19 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 1gqo h ASP 29 Cb -0.04 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1gqo h ASP 29 CO -0.06 0.10 0.08 0.40 -1.72 0.00 0.00 179.24 178.04 1gqo h ILE 30 N 0.29 1.24 -0.67 0.35 2.04 -0.74 -2.25 117.51 117.77 1gqo h ILE 30 Ca 0.20 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 1gqo h ILE 30 Cb 0.22 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1gqo h ILE 30 CO -0.23 0.34 0.17 -0.33 0.00 0.00 0.00 178.15 178.11 1gqo h GLU 31 N 0.84 1.06 -0.45 2.37 5.08 -0.70 -0.45 114.58 122.33 1gqo h GLU 31 Ca 0.17 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1gqo h GLU 31 Cb 0.39 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1gqo h GLU 31 CO 0.01 0.94 0.21 1.15 -1.00 0.00 0.00 179.01 180.32 1gqo h THR 32 N 0.99 1.19 -0.71 1.13 2.02 -0.87 0.10 112.91 116.76 1gqo h THR 32 Ca 0.21 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1gqo h THR 32 Cb 0.35 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1gqo h THR 32 CO 0.00 0.21 0.42 0.44 0.37 0.00 0.00 175.52 176.96 1gqo h ASP 33 N 0.58 0.86 -0.01 4.18 3.32 -1.19 -0.30 116.42 123.87 1gqo h ASP 33 Ca 0.15 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1gqo h ASP 33 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1gqo h ASP 33 CO -0.02 0.68 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.96 1gqo h LEU 34 N 0.97 0.31 -0.36 1.55 3.38 -0.68 -1.03 115.31 119.44 1gqo h LEU 34 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1gqo h LEU 34 Cb -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1gqo h LEU 34 CO -0.05 0.49 0.19 -0.26 0.09 0.00 0.00 178.44 178.91 1gqo h PHE 35 N 0.30 0.50 -0.37 1.13 0.05 -0.11 0.19 116.94 118.62 1gqo h PHE 35 Ca 0.06 -0.02 -0.14 0.00 3.82 0.00 0.00 57.97 61.69 1gqo h PHE 35 Cb 0.46 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.24 1gqo h PHE 35 CO 0.01 0.40 -0.33 1.96 -0.18 0.00 0.00 178.31 180.17 1gqo h GLN 36 N 0.46 0.84 -0.56 1.51 4.20 -0.42 -2.55 115.11 118.60 1gqo h GLN 36 Ca 0.13 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 1gqo h GLN 36 Cb 0.07 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1gqo h GLN 36 CO -0.02 1.05 0.06 0.35 -0.67 0.00 0.00 178.83 179.60 1gqo h PHE 37 N 0.71 0.96 0.04 2.96 3.57 -1.01 -2.56 116.94 121.61 1gqo h PHE 37 Ca 0.07 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1gqo h PHE 37 Cb 0.89 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1gqo h PHE 37 CO 0.05 0.84 -0.02 0.00 -2.23 0.00 0.00 178.31 176.95 1gqo h ALA 38 N 1.21 -0.06 -0.27 2.41 0.00 -0.55 -2.73 119.26 119.27 1gqo h ALA 38 Ca 0.17 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1gqo h ALA 38 Cb 0.42 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1gqo h ALA 38 CO 0.01 -0.48 0.04 0.93 0.00 0.00 0.00 179.25 179.74 1gqo h GLU 39 N -0.16 0.13 0.00 0.00 3.07 -1.32 0.48 114.58 116.78 1gqo h GLU 39 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1gqo h GLU 39 Cb 0.14 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1gqo h GLU 39 CO 0.01 0.08 0.00 0.00 -1.40 0.00 0.00 179.01 177.70 1gqo n ALA 40 N -2.36 2.28 0.62 3.43 0.00 -0.98 -0.22 120.51 123.28 1gqo n ALA 40 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.38 1gqo n ALA 40 Cb 0.12 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.21 1.74 -3.77 0.00 4.77 -0.29 -5.01 117.00 113.23 1gqo n LEU 41 Ca 0.13 -0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 54.96 1gqo n LEU 41 Cb 0.16 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1gqo n LEU 41 CO 0.17 0.33 -0.12 0.00 -1.33 0.00 0.00 177.39 176.44 1gqo n HIS 42 N 0.19 -1.92 -4.11 -1.77 1.44 0.15 -5.01 115.22 104.18 1gqo n HIS 42 Ca 0.07 0.55 -0.08 0.00 -2.01 0.00 0.00 57.72 56.25 1gqo n HIS 42 Cb 0.32 -3.07 -0.10 0.00 0.12 0.00 0.00 29.99 27.26 1gqo n HIS 42 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1gqo s ILE 43 N -3.26 0.39 0.03 0.61 -4.36 -1.02 -4.48 121.20 109.11 1gqo s ILE 43 Ca 0.26 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.86 1gqo s ILE 43 Cb -0.12 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 1gqo s ILE 43 CO 0.90 -0.94 -0.05 -1.10 0.24 0.00 0.00 174.94 173.99 1gqo s GLN 44 N -3.80 2.51 0.02 0.37 -0.21 0.43 -4.19 119.66 114.79 1gqo s GLN 44 Ca 0.08 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 54.73 1gqo s GLN 44 Cb 0.06 -2.50 -0.02 0.00 1.00 0.00 0.00 33.01 31.56 1gqo s GLN 44 CO -0.08 0.58 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.02 1gqo s LEU 45 N -1.70 2.12 -0.03 2.90 1.43 -1.26 -0.68 118.68 121.47 1gqo s LEU 45 Ca 0.19 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1gqo s LEU 45 Cb -0.11 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 1gqo s LEU 45 CO 0.11 0.09 -0.24 -0.89 0.23 0.00 0.00 176.35 175.64 1gqo s THR 46 N -0.68 1.93 -0.09 5.49 2.01 -0.27 -4.95 115.64 119.09 1gqo s THR 46 Ca 0.03 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1gqo s THR 46 Cb -0.07 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 1gqo s THR 46 CO 0.01 0.54 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.09 1gqo s PHE 47 N -0.42 3.05 -0.13 4.92 0.40 -1.26 -0.25 117.98 124.29 1gqo s PHE 47 Ca 0.05 0.07 -0.09 0.00 -0.60 0.00 0.00 56.93 56.35 1gqo s PHE 47 Cb -0.11 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1gqo s PHE 47 CO 0.01 0.35 0.32 0.12 0.70 0.00 0.00 175.22 176.72 1gqo s PHE 48 N -0.71 -0.39 0.03 0.36 5.36 -0.71 -4.96 117.98 116.96 1gqo s PHE 48 Ca 0.11 0.92 0.04 0.00 -0.96 0.00 0.00 56.93 57.04 1gqo s PHE 48 Cb -0.11 0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.68 1gqo s PHE 48 CO 0.02 -0.22 -0.13 -1.14 -1.46 0.00 0.00 175.22 172.30 1gqo s GLN 49 N 0.67 0.87 -0.11 10.12 -0.44 -1.26 -1.41 119.66 128.10 1gqo s GLN 49 Ca -0.04 -0.66 -0.28 0.00 -2.50 0.00 0.00 55.36 51.87 1gqo s GLN 49 Cb -0.05 -0.84 0.07 0.00 -1.64 0.00 0.00 33.01 30.54 1gqo s GLN 49 CO -0.04 0.21 0.67 0.45 0.50 0.00 0.00 175.29 177.08 1gqo s SER 50 N -0.96 -0.66 0.00 6.67 0.15 -0.77 -4.99 113.70 113.14 1gqo s SER 50 Ca 0.01 0.91 0.27 0.00 0.70 0.00 0.00 55.95 57.84 1gqo s SER 50 Cb -0.07 0.81 0.96 0.00 -1.71 0.00 0.00 66.02 66.00 1gqo s SER 50 CO 0.01 -0.49 1.71 0.59 1.20 0.00 0.00 173.24 176.25 1gqo n ASN 51 N 1.48 0.45 -4.61 5.45 3.02 -1.26 -2.63 115.26 117.16 1gqo n ASN 51 Ca -0.18 -0.30 -0.39 0.00 -0.03 0.00 0.00 54.58 53.68 1gqo n ASN 51 Cb 0.56 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.61 1gqo n ASN 51 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gqo s HIS 52 N -2.74 3.26 0.17 3.10 3.76 -1.26 -4.61 115.29 116.97 1gqo s HIS 52 Ca 0.20 0.49 -0.15 0.00 -0.15 0.00 0.00 55.06 55.45 1gqo s HIS 52 Cb 0.19 -2.62 0.12 0.00 1.11 0.00 0.00 32.58 31.38 1gqo s HIS 52 CO 0.56 -0.24 1.73 1.49 -0.85 0.00 0.00 174.74 177.43 1gqo h GLU 53 N 8.09 0.22 -0.86 1.40 4.81 -2.01 -2.18 114.58 124.05 1gqo h GLU 53 Ca -0.31 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1gqo h GLU 53 Cb 1.15 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 1gqo h GLU 53 CO 0.67 0.15 0.57 0.78 -0.73 0.00 0.00 179.01 180.44 1gqo h GLY 54 N 0.23 1.23 1.08 1.92 0.00 -1.99 -1.99 103.07 103.55 1gqo h GLY 54 Ca 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1gqo h GLY 54 CO -0.25 0.36 0.24 -0.55 0.00 0.00 0.00 176.54 176.34 1gqo h ASP 55 N 1.07 1.07 -0.56 0.19 3.32 -1.83 0.18 116.42 119.86 1gqo h ASP 55 Ca 0.34 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1gqo h ASP 55 Cb 0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1gqo h ASP 55 CO -0.10 0.99 0.16 -0.07 -1.72 0.00 0.00 179.24 178.49 1gqo h LEU 56 N 1.10 0.84 -0.31 1.55 3.38 -0.98 -1.33 115.31 119.56 1gqo h LEU 56 Ca 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1gqo h LEU 56 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1gqo h LEU 56 CO -0.01 0.84 0.15 0.40 0.09 0.00 0.00 178.44 179.91 1gqo h ILE 57 N 0.79 1.15 -0.50 1.22 2.04 -1.31 -0.58 117.51 120.33 1gqo h ILE 57 Ca 0.18 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.67 1gqo h ILE 57 Cb 0.31 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1gqo h ILE 57 CO -0.00 0.16 0.22 0.44 0.00 0.00 0.00 178.15 178.97 1gqo h ASP 58 N 0.37 0.28 -0.60 1.72 3.32 -0.54 -1.73 116.42 119.23 1gqo h ASP 58 Ca 0.11 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1gqo h ASP 58 Cb 0.11 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1gqo h ASP 58 CO -0.01 0.20 0.27 0.00 -1.72 0.00 0.00 179.24 177.98 1gqo h ALA 59 N 1.30 1.28 -0.20 3.45 0.00 -0.91 -1.47 119.26 122.71 1gqo h ALA 59 Ca 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1gqo h ALA 59 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1gqo h ALA 59 CO -0.19 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.42 1gqo h ILE 60 N 0.91 1.25 -0.91 0.00 2.04 -0.89 -1.39 117.51 118.51 1gqo h ILE 60 Ca 0.22 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.28 1gqo h ILE 60 Cb 0.15 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 1gqo h ILE 60 CO -0.02 0.26 0.59 0.45 0.00 0.00 0.00 178.15 179.43 1gqo h HIS 61 N 0.12 1.11 0.00 1.37 3.86 -0.85 -3.07 115.15 117.70 1gqo h HIS 61 Ca 0.06 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1gqo h HIS 61 Cb 0.37 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1gqo h HIS 61 CO 0.03 0.63 -0.22 0.93 0.86 0.00 0.00 177.93 180.17 1gqo h GLU 62 N 1.14 0.00 -0.71 2.45 5.08 -1.22 -3.35 114.58 117.98 1gqo h GLU 62 Ca 0.37 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1gqo h GLU 62 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1gqo h GLU 62 CO -0.12 0.22 0.47 0.00 -1.00 0.00 0.00 179.01 178.57 1gqo h ALA 63 N 1.78 1.64 -1.05 3.43 0.00 -1.15 -3.08 119.26 120.84 1gqo h ALA 63 Ca -0.00 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.16 1gqo h ALA 63 Cb 1.06 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 1gqo h ALA 63 CO 0.03 0.27 0.65 1.49 0.00 0.00 0.00 179.25 181.69 1gqo h GLU 64 N 0.81 0.42 -0.16 0.00 4.57 -1.72 0.77 114.58 119.26 1gqo h GLU 64 Ca 0.29 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1gqo h GLU 64 Cb 0.14 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1gqo h GLU 64 CO -0.09 0.27 0.00 0.39 -1.18 0.00 0.00 179.01 178.41 1gqo n GLU 65 N -4.75 2.01 0.00 1.92 1.02 -1.16 -4.55 120.64 115.13 1gqo n GLU 65 Ca 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.92 1gqo n GLU 65 Cb 0.88 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 0.75 4.03 -4.49 3.49 7.27 0.09 -5.12 117.38 123.39 1gqo n GLN 66 Ca 0.17 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.01 1gqo n GLN 66 Cb 0.45 -0.57 -0.11 0.00 2.41 0.00 0.00 30.24 32.43 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 2.13 -1.98 3.69 1.51 -0.16 -4.95 117.35 117.10 1gqo s TYR 67 Ca 0.00 -0.73 0.16 0.00 -1.01 0.00 0.00 57.07 55.48 1gqo s TYR 67 Cb 0.00 -1.33 0.13 0.00 -0.11 0.00 0.00 41.96 40.65 1gqo s TYR 67 CO 0.00 0.28 1.01 -1.13 -1.11 0.00 0.00 175.55 174.61 1gqo n SER 68 N -0.72 2.35 -3.62 2.29 3.41 -0.62 -4.72 113.62 111.99 1gqo n SER 68 Ca -0.04 -1.67 -0.03 0.00 -0.26 0.00 0.00 58.87 56.86 1gqo n SER 68 Cb 0.65 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 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 -1.32 -0.20 -0.04 5.00 0.00 -1.26 -4.31 107.32 105.19 1gqo s GLY 69 Ca 0.19 1.91 0.02 0.00 0.00 0.00 0.00 44.72 46.84 1gqo s GLY 69 CO 0.20 0.67 -0.10 -0.42 0.00 0.00 0.00 173.10 173.45 1gqo s ILE 70 N -2.04 0.91 -0.24 0.90 1.01 -0.82 -2.12 121.20 118.80 1gqo s ILE 70 Ca 0.10 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1gqo s ILE 70 Cb -0.01 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 1gqo s ILE 70 CO -0.04 0.29 0.06 -0.69 0.00 0.00 0.00 174.94 174.56 1gqo s VAL 71 N 0.37 4.32 -0.13 2.92 1.01 -0.67 -1.24 120.40 126.99 1gqo s VAL 71 Ca -0.07 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1gqo s VAL 71 Cb -0.11 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1gqo s VAL 71 CO 0.01 0.36 -0.23 -0.22 0.00 0.00 0.00 175.10 175.03 1gqo s LEU 72 N 1.41 2.10 -0.51 3.92 2.96 0.13 -0.15 118.68 128.54 1gqo s LEU 72 Ca 0.05 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1gqo s LEU 72 Cb -0.15 -1.43 0.14 0.00 0.50 0.00 0.00 46.19 45.25 1gqo s LEU 72 CO 0.03 0.10 0.29 0.21 -1.32 0.00 0.00 176.35 175.66 1gqo s ASN 73 N 0.66 4.06 0.00 3.68 3.84 -0.63 -0.65 114.94 125.90 1gqo s ASN 73 Ca -0.11 -2.99 0.29 0.00 0.21 0.00 0.00 52.86 50.26 1gqo s ASN 73 Cb -0.16 -1.39 1.71 0.00 -0.55 0.00 0.00 41.25 40.85 1gqo s ASN 73 CO 0.02 -0.22 2.09 -0.81 -2.79 0.00 0.00 177.10 175.38 1gqo n PRO 74 N 3.10 0.98 0.00 0.43 -0.04 -1.26 0.33 135.00 138.54 1gqo n PRO 74 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1gqo n PRO 74 Cb 0.34 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.92 1.37 0.28 0.55 0.00 -1.26 -3.16 105.19 103.88 1gqo n GLY 75 Ca 0.21 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.98 1.09 -0.29 4.61 0.00 -1.96 -1.86 119.26 119.88 1gqo h ALA 76 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1gqo h ALA 76 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gqo h ALA 76 CO 0.00 0.09 0.60 -0.07 0.00 0.00 0.00 179.25 179.87 1gqo h LEU 77 N 0.00 0.00 -0.89 0.00 3.38 -1.91 -1.90 115.31 113.99 1gqo h LEU 77 Ca -0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1gqo h LEU 77 Cb 0.40 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 1gqo h LEU 77 CO 0.01 0.00 0.33 -1.28 0.09 0.00 0.00 178.44 177.59 1gqo h SER 78 N 0.00 0.20 0.65 -0.43 0.87 -1.51 -0.92 113.55 112.41 1gqo h SER 78 Ca 0.14 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1gqo h SER 78 Cb 1.33 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1gqo h SER 78 CO -0.00 -0.07 -0.03 1.41 -0.53 0.00 0.00 176.83 177.60 1gqo n HIS 79 N -5.12 0.00 -0.39 2.24 8.25 -0.71 -0.86 115.22 118.62 1gqo n HIS 79 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1gqo n HIS 79 Cb 0.68 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.30 0.00 -2.56 4.41 0.18 -0.96 -4.68 117.16 112.24 1gqo n TYR 80 Ca 0.12 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.49 1gqo n TYR 80 Cb 0.27 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.21 1gqo n TYR 80 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1gqo s SER 81 N 0.00 6.55 0.55 9.48 0.15 -0.39 -4.76 113.70 125.27 1gqo s SER 81 Ca 0.00 -1.60 0.32 0.00 0.70 0.00 0.00 55.95 55.37 1gqo s SER 81 Cb 0.00 -2.57 1.55 0.00 -1.71 0.00 0.00 66.02 63.28 1gqo s SER 81 CO 0.00 -1.46 2.07 1.88 1.20 0.00 0.00 173.24 176.93 1gqo h TYR 82 N 9.46 0.00 -0.10 3.44 -1.99 -1.92 -2.22 116.97 123.65 1gqo h TYR 82 Ca 0.24 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.84 1gqo h TYR 82 Cb 0.99 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 1gqo h TYR 82 CO 1.30 0.08 -0.52 0.00 -0.00 0.00 0.00 178.16 179.02 1gqo h ALA 83 N 1.92 0.94 -0.04 3.88 0.00 -1.98 -1.51 119.26 122.46 1gqo h ALA 83 Ca -0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1gqo h ALA 83 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1gqo h ALA 83 CO 0.01 0.67 -0.75 0.82 0.00 0.00 0.00 179.25 180.00 1gqo h ILE 84 N 0.21 1.43 0.30 0.00 2.04 -1.79 -2.73 117.51 116.96 1gqo h ILE 84 Ca 0.01 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1gqo h ILE 84 Cb 0.99 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1gqo h ILE 84 CO 0.08 0.67 -0.31 -0.09 0.00 0.00 0.00 178.15 178.50 1gqo h ARG 85 N 0.18 -0.62 -0.16 2.37 2.43 -1.11 -0.89 114.38 116.57 1gqo h ARG 85 Ca -0.03 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1gqo h ARG 85 Cb 1.33 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 1gqo h ARG 85 CO 0.12 -0.41 0.06 -0.44 -1.51 0.00 0.00 179.97 177.78 1gqo h ASP 86 N -0.64 0.20 -0.09 -3.80 3.32 -1.22 -1.57 116.42 112.61 1gqo h ASP 86 Ca -0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1gqo h ASP 86 Cb 0.59 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1gqo h ASP 86 CO -0.07 0.19 0.04 0.00 -1.72 0.00 0.00 179.24 177.68 1gqo h ALA 87 N 1.84 0.12 -0.71 3.45 0.00 -1.10 -0.85 119.26 122.01 1gqo h ALA 87 Ca 0.06 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1gqo h ALA 87 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1gqo h ALA 87 CO -0.01 -0.31 0.42 0.28 0.00 0.00 0.00 179.25 179.64 1gqo h VAL 88 N 0.00 1.03 0.00 0.00 2.07 -0.38 -2.20 116.25 116.78 1gqo h VAL 88 Ca 0.03 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 1gqo h VAL 88 Cb 0.15 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1gqo h VAL 88 CO -0.00 0.15 -0.12 0.28 0.02 0.00 0.00 177.57 177.89 1gqo h SER 89 N 0.79 0.00 0.29 0.57 0.02 -0.87 -2.92 113.55 111.44 1gqo h SER 89 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1gqo h SER 89 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1gqo h SER 89 CO -0.15 0.12 -0.03 -1.54 -1.14 0.00 0.00 176.83 174.09 1gqo n SER 90 N -3.62 0.23 -4.44 3.07 3.41 -0.37 -4.88 113.62 107.02 1gqo n SER 90 Ca -0.02 -0.63 -0.27 0.00 -0.26 0.00 0.00 58.87 57.70 1gqo n SER 90 Cb 0.25 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1gqo n SER 90 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1gqo s ILE 91 N -2.32 2.45 -0.52 -1.33 -4.36 -1.10 -5.07 121.20 108.95 1gqo s ILE 91 Ca 0.36 -2.01 0.24 0.00 -0.26 0.00 0.00 60.65 58.97 1gqo s ILE 91 Cb 0.21 -2.18 0.05 0.00 1.25 0.00 0.00 42.46 41.79 1gqo s ILE 91 CO 0.43 -0.13 1.26 0.77 0.24 0.00 0.00 174.94 177.51 1gqo h SER 92 N 3.13 0.00 -4.05 4.36 4.64 -1.90 -3.48 113.55 116.25 1gqo h SER 92 Ca -0.46 -0.14 -0.52 0.00 -0.47 0.00 0.00 61.79 60.20 1gqo h SER 92 Cb 1.21 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.39 1gqo h SER 92 CO 0.49 0.07 0.49 -0.76 -0.87 0.00 0.00 176.83 176.25 1gqo s LEU 93 N -4.65 3.85 0.13 5.97 1.43 -1.26 -5.01 118.68 119.13 1gqo s LEU 93 Ca 0.04 2.37 -0.31 0.00 -1.03 0.00 0.00 54.13 55.21 1gqo s LEU 93 Cb 0.12 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.86 1gqo s LEU 93 CO 0.74 -1.25 1.28 -2.16 0.23 0.00 0.00 176.35 175.19 1gqo s PRO 94 N -3.01 4.40 -0.05 1.29 0.04 -1.26 -4.90 135.00 131.52 1gqo s PRO 94 Ca 0.70 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.73 1gqo s PRO 94 Cb -0.30 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1gqo s PRO 94 CO 0.35 -0.28 -0.20 0.08 0.04 0.00 0.00 177.00 176.98 1gqo s VAL 95 N 0.69 2.52 -0.09 -0.36 1.01 -1.26 -1.95 120.40 120.96 1gqo s VAL 95 Ca 0.59 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1gqo s VAL 95 Cb -0.34 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1gqo s VAL 95 CO 0.32 0.58 -0.20 -0.69 0.00 0.00 0.00 175.10 175.12 1gqo s VAL 96 N -0.51 1.74 -0.09 2.92 1.01 -0.38 -1.68 120.40 123.42 1gqo s VAL 96 Ca 0.07 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1gqo s VAL 96 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1gqo s VAL 96 CO 0.01 0.49 0.44 -0.70 0.00 0.00 0.00 175.10 175.34 1gqo s GLU 97 N 0.52 4.22 -0.05 2.72 2.12 -0.50 -0.69 118.70 127.05 1gqo s GLU 97 Ca -0.16 0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.60 1gqo s GLU 97 Cb -0.17 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1gqo s GLU 97 CO 0.06 0.32 -0.10 0.08 -0.54 0.00 0.00 175.26 175.07 1gqo s VAL 98 N 0.13 0.95 -0.03 3.70 1.01 0.18 -1.38 120.40 124.95 1gqo s VAL 98 Ca 0.24 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1gqo s VAL 98 Cb -0.15 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1gqo s VAL 98 CO 0.11 0.31 -0.06 -1.00 0.00 0.00 0.00 175.10 174.45 1gqo s HIS 99 N 0.60 0.82 -0.05 5.22 3.76 -0.50 -4.15 115.29 120.99 1gqo s HIS 99 Ca -0.11 -0.22 -0.19 0.00 -0.15 0.00 0.00 55.06 54.39 1gqo s HIS 99 Cb -0.14 -0.65 -0.14 0.00 1.11 0.00 0.00 32.58 32.77 1gqo s HIS 99 CO 0.02 -0.14 0.79 -0.07 -0.85 0.00 0.00 174.74 174.49 1gqo h LEU 100 N 6.77 -0.23-10.42 0.89 4.07 -1.86 -1.62 115.31 112.91 1gqo h LEU 100 Ca -0.35 -0.27 -0.49 0.00 0.08 0.00 0.00 57.88 56.84 1gqo h LEU 100 Cb 1.17 0.06 0.10 0.00 1.08 0.00 0.00 40.66 43.07 1gqo h LEU 100 CO 0.48 0.30 0.36 -0.94 -1.08 0.00 0.00 178.44 177.56 1gqo s SER 101 N -5.38 4.77 -0.99 -0.43 1.04 -1.26 -1.05 113.70 110.40 1gqo s SER 101 Ca -0.11 1.28 -0.22 0.00 0.48 0.00 0.00 55.95 57.38 1gqo s SER 101 Cb 0.00 -2.04 0.07 0.00 0.10 0.00 0.00 66.02 64.15 1gqo s SER 101 CO 0.41 -1.79 1.36 0.21 0.98 0.00 0.00 173.24 174.41 1gqo s ASN 102 N -4.00 6.53 0.28 7.02 3.84 -1.26 -2.34 114.94 125.01 1gqo s ASN 102 Ca 0.60 -1.59 0.01 0.00 0.21 0.00 0.00 52.86 52.09 1gqo s ASN 102 Cb -0.14 -2.52 0.55 0.00 -0.55 0.00 0.00 41.25 38.59 1gqo s ASN 102 CO 0.54 -1.40 1.84 -0.07 -2.79 0.00 0.00 177.10 175.22 1gqo h LEU 103 N 12.18 0.93 -1.85 3.21 3.38 -1.92 -2.27 115.31 128.97 1gqo h LEU 103 Ca 0.18 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1gqo h LEU 103 Cb 1.01 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1gqo h LEU 103 CO 1.34 0.51 0.00 1.88 0.09 0.00 0.00 178.44 182.26 1gqo h TYR 104 N 1.01 0.00 -0.12 1.13 0.99 -1.89 0.96 116.97 119.05 1gqo h TYR 104 Ca 0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.22 1gqo h TYR 104 Cb 0.46 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.19 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 -1.89 2.46 -2.56 3.88 0.00 -0.85 -4.95 120.51 116.59 1gqo n ALA 105 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1gqo n ALA 105 Cb 0.09 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.33 3.44 -1.43 0.00 1.74 0.33 -5.07 116.66 117.00 1gqo n ARG 106 Ca 0.16 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.87 1gqo n ARG 106 Cb 0.59 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.10 1gqo n ARG 106 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gqo n GLU 107 N -0.02 0.58 -0.12 5.56 4.71 -1.26 -4.87 120.64 125.23 1gqo n GLU 107 Ca 0.00 0.25 0.02 0.00 -0.01 0.00 0.00 57.16 57.42 1gqo n GLU 107 Cb 0.00 -2.10 0.33 0.00 -1.01 0.00 0.00 31.44 28.66 1gqo n GLU 107 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1gqo h GLU 108 N -0.03 0.78 0.00 3.49 4.81 -1.95 -1.05 114.58 120.63 1gqo h GLU 108 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1gqo h GLU 108 Cb 1.35 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1gqo h GLU 108 CO 0.47 0.51 0.00 1.97 -0.73 0.00 0.00 179.01 181.24 1gqo n PHE 109 N -4.45 0.80 1.48 0.92 1.16 -1.26 -1.82 117.46 114.29 1gqo n PHE 109 Ca 0.06 0.34 0.14 0.00 -1.87 0.00 0.00 57.45 56.12 1gqo n PHE 109 Cb 0.05 -1.05 0.56 0.00 -1.61 0.00 0.00 39.48 37.43 1gqo n PHE 109 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1gqo n ARG 110 N -2.25 1.19 0.00 3.97 1.74 -0.40 -3.91 116.66 116.99 1gqo n ARG 110 Ca 0.01 -0.58 0.15 0.00 -0.77 0.00 0.00 57.85 56.66 1gqo n ARG 110 Cb 0.18 -1.49 0.83 0.00 -1.02 0.00 0.00 32.46 30.96 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 -0.40 0.00 -4.41 -1.55 8.25 -0.76 -4.68 115.22 111.68 1gqo n HIS 111 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.41 1gqo n HIS 111 Cb 0.31 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.01 1.24 -0.20 -0.41 0.00 -1.25 -5.01 119.66 112.02 1gqo s GLN 112 Ca 0.45 -0.29 -0.12 0.00 -0.00 0.00 0.00 55.36 55.40 1gqo s GLN 112 Cb 0.22 -1.10 -0.05 0.00 0.00 0.00 0.00 33.01 32.08 1gqo s GLN 112 CO 0.36 0.02 0.21 0.45 0.00 0.00 0.00 175.29 176.33 1gqo s SER 113 N 0.61 6.26 0.03 12.60 0.15 -1.26 -4.10 113.70 127.99 1gqo s SER 113 Ca -0.11 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.09 1gqo s SER 113 Cb -0.14 -2.13 0.75 0.00 -1.71 0.00 0.00 66.02 62.79 1gqo s SER 113 CO 0.02 0.10 1.59 1.33 1.20 0.00 0.00 173.24 177.48 1gqo n VAL 114 N 3.86 0.08 0.00 4.45 0.24 -0.04 -4.08 118.33 122.83 1gqo n VAL 114 Ca -0.14 -0.05 -0.16 0.00 -2.04 0.00 0.00 64.34 61.95 1gqo n VAL 114 Cb 0.52 -0.09 -0.14 0.00 -1.47 0.00 0.00 33.84 32.66 1gqo n VAL 114 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1gqo h ILE 115 N 0.00 0.76 -0.78 1.34 2.04 -1.87 -3.41 117.51 115.58 1gqo h ILE 115 Ca 0.00 -2.52 0.13 0.00 1.00 0.00 0.00 64.86 63.47 1gqo h ILE 115 Cb 0.54 2.50 -0.05 0.00 -0.74 0.00 0.00 36.82 39.07 1gqo h ILE 115 CO 0.00 0.74 0.51 0.00 0.00 0.00 0.00 178.15 179.40 1gqo h ALA 116 N 0.46 1.95 -0.11 1.87 0.00 -1.91 -2.60 119.26 118.91 1gqo h ALA 116 Ca -0.35 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1gqo h ALA 116 Cb 2.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 1gqo h ALA 116 CO 0.09 -0.15 0.23 -1.35 0.00 0.00 0.00 179.25 178.07 1gqo h PRO 117 N 0.56 0.00 -0.01 0.00 0.11 -1.81 -2.40 132.00 128.45 1gqo h PRO 117 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1gqo h PRO 117 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1gqo h PRO 117 CO -0.14 0.00 -0.05 1.33 -0.21 0.00 0.00 178.00 178.93 1gqo n VAL 118 N -3.37 0.00 -2.82 3.15 0.24 -0.98 -5.00 118.33 109.55 1gqo n VAL 118 Ca 0.00 -0.47 -0.20 0.00 -2.04 0.00 0.00 64.34 61.62 1gqo n VAL 118 Cb 0.32 1.19 0.02 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.97 4.03 0.20 2.33 0.00 -0.90 -4.71 121.76 121.74 1gqo s ALA 119 Ca 0.11 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.61 1gqo s ALA 119 Cb 0.08 -1.97 0.12 0.00 0.00 0.00 0.00 23.12 21.35 1gqo s ALA 119 CO 0.16 -0.55 1.73 0.87 0.00 0.00 0.00 175.76 177.96 1gqo h LYS 120 N 0.29 1.12 0.00 0.00 1.79 -1.60 -3.49 116.57 114.67 1gqo h LYS 120 Ca -0.42 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 57.80 1gqo h LYS 120 Cb 1.28 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1gqo h LYS 120 CO 0.51 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 180.25 1gqo n GLY 121 N -0.74 0.69 3.42 3.86 0.00 -1.26 -5.08 105.19 106.08 1gqo n GLY 121 Ca 0.05 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 1gqo n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gqo s GLN 122 N -1.28 0.61 -0.19 1.61 0.74 -1.26 -1.41 119.66 118.48 1gqo s GLN 122 Ca 0.00 0.74 0.01 0.00 0.05 0.00 0.00 55.36 56.16 1gqo s GLN 122 Cb 0.00 0.29 0.03 0.00 1.10 0.00 0.00 33.01 34.42 1gqo s GLN 122 CO 0.00 -0.08 -0.18 0.42 -0.55 0.00 0.00 175.29 174.90 1gqo s ILE 123 N 0.34 2.08 -0.00 -2.34 1.01 -0.48 -4.97 121.20 116.83 1gqo s ILE 123 Ca -0.00 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 59.65 1gqo s ILE 123 Cb -0.04 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1gqo s ILE 123 CO -0.00 0.45 -0.18 -0.69 0.00 0.00 0.00 174.94 174.51 1gqo s VAL 124 N 1.26 1.45 0.00 2.92 1.01 -1.26 -1.41 120.40 124.38 1gqo s VAL 124 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1gqo s VAL 124 Cb -0.14 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1gqo s VAL 124 CO -0.12 0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1gqo n GLY 125 N 2.49 1.25 0.91 4.51 0.00 -0.61 -4.86 105.19 108.87 1gqo n GLY 125 Ca -0.15 0.00 0.03 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 2.47 0.00 0.99 4.77 -1.21 -4.57 117.00 119.45 1gqo n LEU 126 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 1gqo n LEU 126 Cb 0.00 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1gqo n LEU 126 CO 0.00 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1gqo n GLY 127 N 0.38 0.92 0.28 -0.72 0.00 -0.22 -3.47 105.19 102.36 1gqo n GLY 127 Ca 0.10 -0.78 0.11 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 -0.88 1.82 -0.55 4.61 0.00 -1.95 -1.30 119.26 121.02 1gqo h ALA 128 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1gqo h ALA 128 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1gqo h ALA 128 CO 0.00 -0.03 0.38 1.49 0.00 0.00 0.00 179.25 181.09 1gqo h GLU 129 N 0.00 0.21 -1.02 0.00 4.57 -1.98 -2.48 114.58 113.88 1gqo h GLU 129 Ca 0.01 -0.01 0.29 0.00 -1.18 0.00 0.00 59.36 58.47 1gqo h GLU 129 Cb 0.04 -0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 28.45 1gqo h GLU 129 CO -0.00 0.14 0.60 0.78 -1.18 0.00 0.00 179.01 179.35 1gqo h GLY 130 N 0.22 1.90 1.01 1.92 0.00 -1.28 -0.49 103.07 106.35 1gqo h GLY 130 Ca 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1gqo h GLY 130 CO -0.05 -0.36 0.38 -0.97 0.00 0.00 0.00 176.54 175.54 1gqo h TYR 131 N 0.42 1.00 -0.18 5.60 -1.99 -1.65 -0.66 116.97 119.51 1gqo h TYR 131 Ca 0.69 -0.03 -0.10 0.00 2.00 0.00 0.00 58.73 61.29 1gqo h TYR 131 Cb 1.53 -0.32 -0.00 0.00 2.00 0.00 0.00 36.73 39.95 1gqo h TYR 131 CO -0.01 0.72 -0.27 0.87 -0.00 0.00 0.00 178.16 179.47 1gqo h LYS 132 N 0.99 0.50 -0.89 4.88 1.57 -1.44 -0.41 116.57 121.78 1gqo h LYS 132 Ca 0.25 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1gqo h LYS 132 Cb 0.07 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1gqo h LYS 132 CO -0.04 0.89 0.59 -0.07 -0.57 0.00 0.00 179.45 180.25 1gqo h LEU 133 N 0.14 0.99 -0.16 2.94 3.38 -0.82 0.25 115.31 122.04 1gqo h LEU 133 Ca 0.02 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1gqo h LEU 133 Cb 0.85 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1gqo h LEU 133 CO 0.06 0.70 -0.32 0.00 0.09 0.00 0.00 178.44 178.97 1gqo h ALA 134 N 1.46 0.25 -0.82 1.53 0.00 -0.80 -2.13 119.26 118.76 1gqo h ALA 134 Ca 0.34 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1gqo h ALA 134 Cb -0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1gqo h ALA 134 CO -0.09 0.29 0.47 0.28 0.00 0.00 0.00 179.25 180.20 1gqo h VAL 135 N 0.13 0.90 -0.75 0.00 2.07 -0.73 -1.79 116.25 116.07 1gqo h VAL 135 Ca 0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1gqo h VAL 135 Cb 0.92 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1gqo h VAL 135 CO 0.07 0.14 0.36 0.03 0.02 0.00 0.00 177.57 178.19 1gqo h ARG 136 N 0.78 1.09 -0.48 1.57 3.08 -0.30 0.33 114.38 120.46 1gqo h ARG 136 Ca 0.40 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1gqo h ARG 136 Cb 0.38 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1gqo h ARG 136 CO -0.25 0.85 0.26 -0.92 -1.07 0.00 0.00 179.97 178.83 1gqo h TYR 137 N 1.06 0.47 -0.12 3.04 3.20 -0.97 0.38 116.97 124.03 1gqo h TYR 137 Ca 0.26 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1gqo h TYR 137 Cb 0.12 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1gqo h TYR 137 CO 0.01 0.25 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.70 1gqo h LEU 138 N 0.51 -0.05 -0.04 2.82 4.07 -1.10 -1.89 115.31 119.63 1gqo h LEU 138 Ca 0.20 0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.22 1gqo h LEU 138 Cb 0.08 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.82 1gqo h LEU 138 CO -0.12 -0.01 -0.24 -0.07 -1.08 0.00 0.00 178.44 176.92 1gqo h LEU 139 N 0.03 -0.71 -2.14 1.67 3.38 -0.49 -1.29 115.31 115.77 1gqo h LEU 139 Ca 0.05 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1gqo h LEU 139 Cb 0.07 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gqo h LEU 139 CO -0.10 -0.30 0.18 0.77 0.09 0.00 0.00 178.44 179.08 1gqo h SER 140 N -0.35 0.00 -0.00 -0.43 4.64 -0.08 -3.51 113.55 113.82 1gqo h SER 140 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1gqo h SER 140 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1gqo h SER 140 CO -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.72