#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqf s THR 2 N 0.00 4.27 0.05 0.00 2.01 -0.37 -4.90 115.64 116.71 3gqf s THR 2 Ca 0.00 1.65 0.07 0.00 0.31 0.00 0.00 61.69 63.73 3gqf s THR 2 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 3gqf s THR 2 CO 0.00 -0.07 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.11 3gqf s LYS 3 N -2.59 1.34 0.19 4.92 1.02 -1.26 -1.18 119.74 122.19 3gqf s LYS 3 Ca 0.56 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.59 3gqf s LYS 3 Cb -0.14 -1.47 -0.05 0.00 -0.52 0.00 0.00 37.83 35.65 3gqf s LYS 3 CO 0.19 0.37 0.06 0.00 -0.92 0.00 0.00 175.35 175.05 3gqf s ALA 4 N -0.85 1.32 0.01 5.17 0.00 -0.59 -1.72 121.76 125.11 3gqf s ALA 4 Ca 0.07 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.22 3gqf s ALA 4 Cb -0.09 0.91 0.02 0.00 0.00 0.00 0.00 23.12 23.97 3gqf s ALA 4 CO 0.02 -0.44 0.32 0.54 0.00 0.00 0.00 175.76 176.19 3gqf s VAL 5 N -3.86 0.07 -0.05 0.00 0.11 0.60 -1.15 120.40 116.12 3gqf s VAL 5 Ca 0.31 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.77 3gqf s VAL 5 Cb 0.07 -0.76 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 3gqf s VAL 5 CO 0.08 -0.30 0.13 0.00 -3.33 0.00 0.00 175.10 171.67 3gqf s VAL 7 N 0.70 4.82 -0.34 0.00 1.01 -1.26 -1.49 120.40 123.84 3gqf s VAL 7 Ca -0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 3gqf s VAL 7 Cb -0.07 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 3gqf s VAL 7 CO -0.03 0.22 0.57 -0.76 0.00 0.00 0.00 175.10 175.11 3gqf s LEU 8 N 1.68 4.26 0.10 3.92 1.43 0.44 -3.82 118.68 126.68 3gqf s LEU 8 Ca 0.06 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 3gqf s LEU 8 Cb -0.16 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3gqf s LEU 8 CO 0.07 -0.51 -0.16 -0.54 0.23 0.00 0.00 176.35 175.44 3gqf s LYS 9 N 2.53 0.97 0.00 1.70 1.02 -0.60 -1.62 119.74 123.75 3gqf s LYS 9 Ca 0.22 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 55.11 3gqf s LYS 9 Cb -0.15 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 3gqf s LYS 9 CO 0.13 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 3gqf n GLY 10 N 1.02 3.68 0.11 -3.33 0.00 -1.23 -1.47 105.19 103.98 3gqf n GLY 10 Ca -0.19 -1.42 -0.05 0.00 0.00 0.00 0.00 46.02 44.36 3gqf n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqf h ASP 11 N 0.00 0.08 -0.40 1.61 3.32 -1.90 -3.47 116.42 115.66 3gqf h ASP 11 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gqf h ASP 11 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3gqf h ASP 11 CO 0.00 0.83 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 3gqf n GLY 12 N 0.71 0.97 0.03 2.75 0.00 -1.26 -4.98 105.19 103.40 3gqf n GLY 12 Ca -0.01 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.41 3gqf n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqf n PRO 13 N 0.00 0.31 -2.49 1.61 -0.04 -1.26 -4.87 135.00 128.25 3gqf n PRO 13 Ca 0.00 -0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 3gqf n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3gqf n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gqf s VAL 14 N -2.73 4.35 0.05 0.52 1.01 -1.26 -4.30 120.40 118.04 3gqf s VAL 14 Ca 0.22 1.66 -0.20 0.00 0.00 0.00 0.00 61.98 63.65 3gqf s VAL 14 Cb 0.19 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.55 3gqf s VAL 14 CO 0.51 -0.05 0.48 0.00 0.00 0.00 0.00 175.10 176.04 3gqf s GLN 15 N 2.56 1.00 0.14 2.72 -2.07 -1.13 -3.47 119.66 119.41 3gqf s GLN 15 Ca 0.54 -0.31 -0.25 0.00 -1.82 0.00 0.00 55.36 53.51 3gqf s GLN 15 Cb -0.22 0.45 0.07 0.00 -1.09 0.00 0.00 33.01 32.22 3gqf s GLN 15 CO 0.19 -0.36 1.01 0.20 -1.32 0.00 0.00 175.29 175.01 3gqf s GLY 16 N -2.04 -0.21 -0.09 2.60 0.00 -0.64 -0.75 107.32 106.19 3gqf s GLY 16 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.82 3gqf s GLY 16 CO -0.03 0.30 -0.07 -0.42 0.00 0.00 0.00 173.10 172.88 3gqf s ILE 17 N -3.03 0.89 -0.11 0.90 1.01 -0.57 -0.42 121.20 119.86 3gqf s ILE 17 Ca 0.14 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.56 3gqf s ILE 17 Cb -0.01 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.57 3gqf s ILE 17 CO 0.02 0.33 -0.20 -0.63 0.00 0.00 0.00 174.94 174.46 3gqf s ILE 18 N 1.37 1.84 -0.03 2.92 -1.09 -0.55 -1.84 121.20 123.82 3gqf s ILE 18 Ca -0.02 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 3gqf s ILE 18 Cb -0.14 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 3gqf s ILE 18 CO -0.04 0.51 0.08 0.20 -1.23 0.00 0.00 174.94 174.46 3gqf s ASN 19 N 0.71 5.73 0.02 3.58 -0.87 0.17 -0.80 114.94 123.48 3gqf s ASN 19 Ca -0.11 0.19 0.07 0.00 -1.57 0.00 0.00 52.86 51.44 3gqf s ASN 19 Cb -0.16 -1.67 -0.02 0.00 -0.02 0.00 0.00 41.25 39.37 3gqf s ASN 19 CO 0.02 0.30 -0.20 -0.36 -2.57 0.00 0.00 177.10 174.29 3gqf s PHE 20 N -1.14 1.79 -0.10 2.20 0.40 -0.30 -0.91 117.98 119.92 3gqf s PHE 20 Ca 0.21 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 3gqf s PHE 20 Cb -0.12 -1.10 0.05 0.00 0.51 0.00 0.00 43.02 42.36 3gqf s PHE 20 CO 0.12 0.04 0.23 -2.00 0.70 0.00 0.00 175.22 174.30 3gqf s GLU 21 N -0.87 0.16 -0.25 0.44 2.12 -0.21 -1.54 118.70 118.56 3gqf s GLU 21 Ca 0.07 0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.96 3gqf s GLU 21 Cb -0.08 -0.13 0.07 0.00 0.26 0.00 0.00 34.13 34.25 3gqf s GLU 21 CO 0.01 -0.20 -0.02 -1.14 -0.54 0.00 0.00 175.26 173.37 3gqf s GLN 22 N 1.56 1.41 0.34 4.30 0.74 -0.32 -0.49 119.66 127.20 3gqf s GLN 22 Ca -0.06 -1.02 0.16 0.00 0.05 0.00 0.00 55.36 54.49 3gqf s GLN 22 Cb -0.11 -2.53 0.55 0.00 1.10 0.00 0.00 33.01 32.02 3gqf s GLN 22 CO -0.08 -0.68 1.68 0.87 -0.55 0.00 0.00 175.29 176.53 3gqf h LYS 23 N 7.97 0.00 -4.10 1.67 1.57 -1.82 -0.97 116.57 120.89 3gqf h LYS 23 Ca -0.16 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 3gqf h LYS 23 Cb 1.06 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.21 3gqf h LYS 23 CO 0.42 0.45 -0.65 -1.21 -0.57 0.00 0.00 179.45 177.89 3gqf s GLU 24 N -3.55 0.54 0.17 3.15 0.41 -1.26 -3.36 118.70 114.80 3gqf s GLU 24 Ca 0.00 -0.99 -0.31 0.00 -0.41 0.00 0.00 54.97 53.26 3gqf s GLU 24 Cb 0.11 0.19 -0.09 0.00 -1.78 0.00 0.00 34.13 32.57 3gqf s GLU 24 CO 0.71 -0.11 1.40 -1.12 -0.49 0.00 0.00 175.26 175.65 3gqf s SER 25 N -2.44 6.78 0.00 -0.19 0.01 -1.26 -1.19 113.70 115.41 3gqf s SER 25 Ca -0.01 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.70 3gqf s SER 25 Cb 0.02 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3gqf s SER 25 CO -0.07 -0.65 0.00 0.59 0.41 0.00 0.00 173.24 173.52 3gqf n ASN 26 N 3.33 0.00 -3.93 2.44 3.02 -1.26 -5.00 115.26 113.86 3gqf n ASN 26 Ca 0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.35 3gqf n ASN 26 Cb 0.42 -1.06 0.28 0.00 -0.61 0.00 0.00 39.78 38.80 3gqf n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gqf n GLY 27 N -2.00 -2.94 3.77 7.41 0.00 -0.34 -4.98 105.19 106.12 3gqf n GLY 27 Ca 0.00 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 3gqf n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqf s PRO 28 N -4.65 3.87 -0.25 1.61 0.04 -1.26 -4.75 135.00 129.60 3gqf s PRO 28 Ca 0.68 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 63.40 3gqf s PRO 28 Cb -0.20 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3gqf s PRO 28 CO 0.62 -0.46 0.13 0.08 0.04 0.00 0.00 177.00 177.41 3gqf s VAL 29 N -1.52 4.91 -0.21 -0.36 1.01 0.38 -4.39 120.40 120.22 3gqf s VAL 29 Ca 0.61 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 3gqf s VAL 29 Cb -0.29 -3.30 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 3gqf s VAL 29 CO 0.35 0.33 0.91 -0.75 0.00 0.00 0.00 175.10 175.94 3gqf s LYS 30 N 1.38 4.25 -0.15 2.72 2.20 0.35 -1.38 119.74 129.10 3gqf s LYS 30 Ca 0.06 1.12 -0.01 0.00 -0.36 0.00 0.00 55.97 56.78 3gqf s LYS 30 Cb -0.15 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 3gqf s LYS 30 CO 0.06 -0.50 -0.12 0.54 -0.36 0.00 0.00 175.35 174.97 3gqf s VAL 31 N 2.75 3.03 -0.02 4.02 0.11 0.10 -1.04 120.40 129.35 3gqf s VAL 31 Ca 0.39 -0.65 -0.19 0.00 -2.93 0.00 0.00 61.98 58.60 3gqf s VAL 31 Cb -0.16 -2.29 0.03 0.00 -1.53 0.00 0.00 36.38 32.43 3gqf s VAL 31 CO 0.09 0.51 0.40 -1.66 -3.33 0.00 0.00 175.10 171.11 3gqf s TRP 32 N 0.64 -0.30 -4.25 1.54 -2.14 -0.09 -0.74 118.94 113.60 3gqf s TRP 32 Ca -0.07 0.46 0.00 0.00 2.66 0.00 0.00 56.10 59.16 3gqf s TRP 32 Cb -0.15 0.18 0.00 0.00 -3.10 0.00 0.00 33.47 30.39 3gqf s TRP 32 CO 0.03 -0.46 0.00 0.41 -2.66 0.00 0.00 176.95 174.27 3gqf n GLY 33 N 1.13 -0.52 2.93 3.67 0.00 -0.91 0.46 105.19 111.95 3gqf n GLY 33 Ca -0.21 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 3gqf n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqf s SER 34 N -4.00 -0.07 -0.04 1.61 0.15 -0.77 -0.53 113.70 110.05 3gqf s SER 34 Ca 0.00 0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.87 3gqf s SER 34 Cb 0.00 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 3gqf s SER 34 CO 0.00 -0.06 -0.19 -0.63 1.20 0.00 0.00 173.24 173.56 3gqf s ILE 35 N 0.34 1.57 0.44 6.45 1.01 -0.11 -1.51 121.20 129.39 3gqf s ILE 35 Ca -0.02 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3gqf s ILE 35 Cb -0.04 -1.34 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 3gqf s ILE 35 CO -0.01 0.45 0.01 -1.59 0.00 0.00 0.00 174.94 173.79 3gqf s LYS 36 N -0.11 2.03 0.00 2.79 -2.85 0.07 -0.32 119.74 121.35 3gqf s LYS 36 Ca -0.01 -2.19 0.00 0.00 -1.00 0.00 0.00 55.97 52.76 3gqf s LYS 36 Cb -0.11 -1.59 0.00 0.00 -2.06 0.00 0.00 37.83 34.07 3gqf s LYS 36 CO 0.02 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.73 3gqf n GLY 37 N -1.05 0.52 3.84 0.59 0.00 -0.86 -2.82 105.19 105.41 3gqf n GLY 37 Ca -0.09 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 3gqf n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqf s LEU 38 N 0.00 4.15 0.43 0.99 1.02 -0.63 -4.32 118.68 120.32 3gqf s LEU 38 Ca 0.00 0.27 -0.26 0.00 0.02 0.00 0.00 54.13 54.16 3gqf s LEU 38 Cb 0.00 -2.38 -0.09 0.00 0.02 0.00 0.00 46.19 43.74 3gqf s LEU 38 CO 0.00 0.29 1.41 0.42 0.02 0.00 0.00 176.35 178.49 3gqf s THR 39 N -1.22 2.19 0.48 5.49 -4.23 -1.26 -3.96 115.64 113.12 3gqf s THR 39 Ca 0.24 0.17 -0.23 0.00 -1.18 0.00 0.00 61.69 60.69 3gqf s THR 39 Cb -0.12 -3.10 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 3gqf s THR 39 CO 0.14 0.03 1.03 1.21 -0.54 0.00 0.00 174.62 176.49 3gqf n GLU 40 N 0.00 1.30 0.00 3.99 2.13 -1.26 -4.58 120.64 122.23 3gqf n GLU 40 Ca 0.04 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.33 3gqf n GLU 40 Cb 0.42 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.00 3gqf n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gqf n GLY 41 N 1.16 -0.87 3.84 8.31 0.00 -0.31 -4.90 105.19 112.42 3gqf n GLY 41 Ca 0.10 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 3gqf n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqf s LEU 42 N 0.00 4.46 -0.03 0.99 1.43 -1.26 -0.45 118.68 123.82 3gqf s LEU 42 Ca 0.00 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 3gqf s LEU 42 Cb 0.00 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.55 3gqf s LEU 42 CO 0.00 0.29 -0.01 -1.00 0.23 0.00 0.00 176.35 175.86 3gqf s HIS 43 N -1.14 0.39 0.32 0.29 3.76 0.66 -2.70 115.29 116.87 3gqf s HIS 43 Ca 0.26 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.84 3gqf s HIS 43 Cb -0.16 -0.43 -0.12 0.00 1.11 0.00 0.00 32.58 32.97 3gqf s HIS 43 CO 0.15 -0.13 1.33 0.41 -0.85 0.00 0.00 174.74 175.65 3gqf n GLY 44 N 3.99 0.66 2.81 -2.22 0.00 -0.30 -0.86 105.19 109.27 3gqf n GLY 44 Ca -0.25 0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 3gqf n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gqf s PHE 45 N -0.82 -0.24 0.15 1.61 5.36 0.22 -1.04 117.98 123.21 3gqf s PHE 45 Ca 0.58 0.43 -0.20 0.00 -0.96 0.00 0.00 56.93 56.78 3gqf s PHE 45 Cb -0.58 -0.30 0.05 0.00 -0.34 0.00 0.00 43.02 41.85 3gqf s PHE 45 CO 0.59 -0.45 0.52 -0.98 -1.46 0.00 0.00 175.22 173.44 3gqf s ARG 46 N 2.32 1.20 -0.25 10.12 3.03 -0.87 -2.44 118.95 132.06 3gqf s ARG 46 Ca 0.04 -0.59 -0.11 0.00 2.03 0.00 0.00 55.73 57.11 3gqf s ARG 46 Cb -0.14 0.54 -0.05 0.00 -1.03 0.00 0.00 34.95 34.27 3gqf s ARG 46 CO -0.09 -0.51 0.18 0.08 -1.13 0.00 0.00 175.30 173.84 3gqf s VAL 47 N -3.78 5.33 0.48 4.99 1.01 0.69 -1.22 120.40 127.90 3gqf s VAL 47 Ca 0.02 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 3gqf s VAL 47 Cb 0.00 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3gqf s VAL 47 CO -0.12 0.31 0.75 -1.10 0.00 0.00 0.00 175.10 174.93 3gqf s GLN 48 N 1.31 3.23 0.06 2.72 -0.21 0.12 -0.41 119.66 126.49 3gqf s GLN 48 Ca 0.08 -0.14 -0.18 0.00 0.02 0.00 0.00 55.36 55.14 3gqf s GLN 48 Cb -0.14 -2.45 -0.12 0.00 1.00 0.00 0.00 33.01 31.31 3gqf s GLN 48 CO 0.07 -0.30 1.40 1.49 -2.12 0.00 0.00 175.29 175.83 3gqf h GLU 49 N 0.25 0.47 -6.04 2.91 4.81 -0.74 -2.98 114.58 113.26 3gqf h GLU 49 Ca -0.47 -0.23 -0.66 0.00 -0.13 0.00 0.00 59.36 57.87 3gqf h GLU 49 Cb 1.23 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.49 3gqf h GLU 49 CO 0.60 0.79 -0.61 -0.06 -0.73 0.00 0.00 179.01 179.00 3gqf s PHE 50 N -4.43 3.19 -0.52 0.92 0.08 -0.42 -4.68 117.98 112.12 3gqf s PHE 50 Ca -0.14 0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 3gqf s PHE 50 Cb 0.07 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 3gqf s PHE 50 CO 0.77 0.51 2.84 0.41 -0.10 0.00 0.00 175.22 179.65 3gqf n GLY 51 N 1.50 4.29 3.03 4.36 0.00 -1.04 -3.44 105.19 113.88 3gqf n GLY 51 Ca -0.15 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 3gqf n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqf s ASP 52 N 0.59 4.65 -0.33 1.61 -1.08 -1.26 -4.95 116.67 115.89 3gqf s ASP 52 Ca 0.60 -1.92 0.08 0.00 -0.52 0.00 0.00 52.55 50.79 3gqf s ASP 52 Cb 0.35 -1.58 0.58 0.00 -1.46 0.00 0.00 42.92 40.81 3gqf s ASP 52 CO -0.18 -0.33 1.63 0.59 0.52 0.00 0.00 175.17 177.41 3gqf n ASN 53 N 4.32 3.18 0.22 -0.34 3.02 -1.26 -2.72 115.26 121.68 3gqf n ASN 53 Ca -0.01 -3.62 0.09 0.00 -0.03 0.00 0.00 54.58 51.00 3gqf n ASN 53 Cb 0.42 -0.70 0.52 0.00 -0.61 0.00 0.00 39.78 39.41 3gqf n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gqf h THR 54 N 1.21 0.76 -1.23 3.41 1.35 -1.92 -2.76 112.91 113.72 3gqf h THR 54 Ca 0.34 -1.00 -0.55 0.00 -0.55 0.00 0.00 66.41 64.65 3gqf h THR 54 Cb 2.08 1.62 -0.42 0.00 -1.73 0.00 0.00 68.15 69.70 3gqf h THR 54 CO 0.63 0.24 -0.81 0.00 -0.25 0.00 0.00 175.52 175.32 3gqf n ALA 55 N -2.31 4.81 -0.80 6.62 0.00 -1.26 -5.07 120.51 122.51 3gqf n ALA 55 Ca -0.01 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.41 3gqf n ALA 55 Cb 0.37 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.28 3gqf n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 56 N -0.51 1.33 0.26 0.00 0.00 -1.04 -3.36 105.19 101.87 3gqf n GLY 56 Ca 0.36 -0.63 0.16 0.00 0.00 0.00 0.00 46.02 45.92 3gqf n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqf h THR 58 N 0.00 0.42 -0.02 0.00 1.35 -1.91 -3.21 112.91 109.56 3gqf h THR 58 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3gqf h THR 58 Cb 0.59 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3gqf h THR 58 CO 0.00 0.06 -0.19 -1.54 -0.25 0.00 0.00 175.52 173.60 3gqf n SER 59 N -3.57 1.77 -0.01 5.36 3.41 -1.22 -4.16 113.62 115.20 3gqf n SER 59 Ca -0.02 -1.42 0.14 0.00 -0.26 0.00 0.00 58.87 57.31 3gqf n SER 59 Cb 0.17 0.15 0.61 0.00 -0.26 0.00 0.00 64.21 64.88 3gqf n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqf n ALA 60 N 0.11 2.50 0.00 7.33 0.00 -1.10 -4.65 120.51 124.70 3gqf n ALA 60 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gqf n ALA 60 Cb 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3gqf n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 61 N 1.45 -0.57 3.91 0.00 0.00 -1.26 -1.30 105.19 107.43 3gqf n GLY 61 Ca 0.09 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 3gqf n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gqf s PRO 62 N 0.00 2.23 0.37 1.61 0.04 -1.26 -4.70 135.00 133.29 3gqf s PRO 62 Ca 0.00 -0.02 -0.27 0.00 0.04 0.00 0.00 61.00 60.74 3gqf s PRO 62 Cb 0.00 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 3gqf s PRO 62 CO 0.00 -1.31 1.34 0.72 0.04 0.00 0.00 177.00 177.79 3gqf n HIS 63 N -3.05 2.44 -1.62 0.56 8.25 -1.26 -0.57 115.22 119.97 3gqf n HIS 63 Ca 0.08 0.51 -0.45 0.00 -0.26 0.00 0.00 57.72 57.60 3gqf n HIS 63 Cb 0.60 -2.44 -0.04 0.00 1.12 0.00 0.00 29.99 29.23 3gqf n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gqf n PHE 64 N 0.24 2.16 -3.12 4.41 7.35 0.45 -4.53 117.46 124.42 3gqf n PHE 64 Ca 0.04 -0.11 -0.21 0.00 -0.76 0.00 0.00 57.45 56.41 3gqf n PHE 64 Cb 0.38 -2.71 -0.05 0.00 0.35 0.00 0.00 39.48 37.45 3gqf n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3gqf n ASN 65 N 9.06 -0.24 0.24 -2.13 5.15 -1.26 -1.05 115.26 125.04 3gqf n ASN 65 Ca 0.27 -2.83 0.10 0.00 -0.60 0.00 0.00 54.58 51.52 3gqf n ASN 65 Cb 0.37 -0.24 0.63 0.00 -0.53 0.00 0.00 39.78 40.01 3gqf n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gqf h PRO 66 N 3.87 0.00 -0.63 1.20 0.13 -1.93 -2.80 132.00 131.83 3gqf h PRO 66 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3gqf h PRO 66 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3gqf h PRO 66 CO 0.44 0.17 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 3gqf n LEU 67 N -3.81 4.09 -3.80 1.56 4.77 -1.26 -4.97 117.00 113.58 3gqf n LEU 67 Ca -0.02 -2.07 -0.27 0.00 -0.03 0.00 0.00 56.01 53.63 3gqf n LEU 67 Cb 0.27 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3gqf n LEU 67 CO 0.32 0.68 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.66 3gqf n SER 68 N 0.88 -4.89 -4.91 -1.43 7.64 -1.06 -5.00 113.62 104.86 3gqf n SER 68 Ca 0.22 -0.98 -0.26 0.00 1.01 0.00 0.00 58.87 58.85 3gqf n SER 68 Cb 0.78 -1.86 -0.00 0.00 -1.01 0.00 0.00 64.21 62.12 3gqf n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3gqf s ARG 69 N -5.24 2.25 0.44 1.43 1.81 -1.26 -5.14 118.95 113.24 3gqf s ARG 69 Ca 0.08 -2.02 -0.04 0.00 -1.72 0.00 0.00 55.73 52.02 3gqf s ARG 69 Cb -0.04 -2.10 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 3gqf s ARG 69 CO 0.90 -0.64 0.72 0.15 -0.68 0.00 0.00 175.30 175.76 3gqf s LYS 70 N -4.29 3.54 0.31 3.54 1.02 -1.26 -4.80 119.74 117.79 3gqf s LYS 70 Ca 0.34 0.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 3gqf s LYS 70 Cb -0.02 -2.45 -0.11 0.00 -0.52 0.00 0.00 37.83 34.72 3gqf s LYS 70 CO 0.21 -0.10 1.51 -1.58 -0.92 0.00 0.00 175.35 174.48 3gqf s HIS 71 N -2.60 2.78 0.00 3.18 5.65 -0.87 -3.19 115.29 120.23 3gqf s HIS 71 Ca 0.46 0.98 0.00 0.00 0.25 0.00 0.00 55.06 56.75 3gqf s HIS 71 Cb -0.10 -3.98 0.00 0.00 -1.18 0.00 0.00 32.58 27.32 3gqf s HIS 71 CO 0.42 -3.13 0.00 0.41 -0.65 0.00 0.00 174.74 171.79 3gqf n GLY 72 N 1.59 3.70 3.88 1.59 0.00 -1.23 -4.34 105.19 110.38 3gqf n GLY 72 Ca 0.05 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 3gqf n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqf s GLY 73 N -0.86 1.66 0.57 -0.02 0.00 -1.24 -4.74 107.32 102.69 3gqf s GLY 73 Ca 0.00 -0.26 0.30 0.00 0.00 0.00 0.00 44.72 44.76 3gqf s GLY 73 CO 0.00 -0.04 2.20 -0.56 0.00 0.00 0.00 173.10 174.70 3gqf h PRO 74 N 0.19 0.00 0.00 2.90 0.13 -1.89 -1.89 132.00 131.45 3gqf h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gqf h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3gqf h PRO 74 CO 0.62 0.04 -0.47 0.87 -0.23 0.00 0.00 178.00 178.83 3gqf h LYS 75 N 0.00 0.00 -7.16 0.86 1.57 -1.94 -3.47 116.57 106.43 3gqf h LYS 75 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3gqf h LYS 75 Cb 0.13 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.48 3gqf h LYS 75 CO 0.01 0.00 0.38 -0.51 -0.57 0.00 0.00 179.45 178.75 3gqf s ASP 76 N -4.63 6.14 -0.02 0.86 1.01 -0.71 -5.00 116.67 114.32 3gqf s ASP 76 Ca 0.06 1.79 -0.24 0.00 0.71 0.00 0.00 52.55 54.88 3gqf s ASP 76 Cb 0.12 -2.54 -0.20 0.00 1.01 0.00 0.00 42.92 41.31 3gqf s ASP 76 CO 0.70 -0.92 1.19 -0.08 0.21 0.00 0.00 175.17 176.27 3gqf h GLU 77 N 0.88 0.15 -6.01 8.23 4.57 -1.91 -3.40 114.58 117.09 3gqf h GLU 77 Ca -0.48 -0.10 -0.58 0.00 -1.18 0.00 0.00 59.36 57.02 3gqf h GLU 77 Cb 1.21 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.71 3gqf h GLU 77 CO 0.59 0.71 0.79 -1.21 -1.18 0.00 0.00 179.01 178.70 3gqf s GLU 78 N -3.83 3.24 0.17 1.92 0.41 -1.26 -4.95 118.70 114.40 3gqf s GLU 78 Ca -0.16 -0.35 -0.20 0.00 -0.41 0.00 0.00 54.97 53.85 3gqf s GLU 78 Cb 0.02 -4.14 0.05 0.00 -1.78 0.00 0.00 34.13 28.28 3gqf s GLU 78 CO 0.72 -1.84 0.56 -0.98 -0.49 0.00 0.00 175.26 173.22 3gqf s ARG 79 N 4.74 1.31 0.57 1.61 1.70 -1.19 -3.57 118.95 124.12 3gqf s ARG 79 Ca 0.31 -0.65 -0.17 0.00 -0.47 0.00 0.00 55.73 54.75 3gqf s ARG 79 Cb -0.12 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 3gqf s ARG 79 CO 0.16 -0.56 1.06 -1.01 -1.08 0.00 0.00 175.30 173.87 3gqf s HIS 80 N -3.80 2.93 0.37 5.89 3.76 -1.21 -4.70 115.29 118.53 3gqf s HIS 80 Ca 0.04 1.53 0.06 0.00 -0.15 0.00 0.00 55.06 56.54 3gqf s HIS 80 Cb -0.01 -3.06 0.76 0.00 1.11 0.00 0.00 32.58 31.38 3gqf s HIS 80 CO -0.09 -1.15 1.98 0.28 -0.85 0.00 0.00 174.74 174.92 3gqf h VAL 81 N 0.70 1.05 0.00 -0.90 2.07 -1.80 -2.46 116.25 114.92 3gqf h VAL 81 Ca -0.48 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3gqf h VAL 81 Cb 1.23 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3gqf h VAL 81 CO 0.57 0.13 0.00 0.61 0.02 0.00 0.00 177.57 178.91 3gqf n GLY 82 N -1.46 -0.98 3.55 2.17 0.00 -0.21 -4.28 105.19 103.98 3gqf n GLY 82 Ca 0.09 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3gqf n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqf s ASP 83 N -2.18 5.87 -0.05 1.61 1.11 -0.93 -0.23 116.67 121.88 3gqf s ASP 83 Ca 0.37 -0.30 0.17 0.00 0.18 0.00 0.00 52.55 52.98 3gqf s ASP 83 Cb 0.19 -2.55 0.56 0.00 1.07 0.00 0.00 42.92 42.19 3gqf s ASP 83 CO 0.35 -2.02 1.48 0.18 1.18 0.00 0.00 175.17 176.34 3gqf n LEU 84 N 10.57 3.90 0.00 1.23 4.77 -1.02 -4.00 117.00 132.45 3gqf n LEU 84 Ca 0.12 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 3gqf n LEU 84 Cb 0.50 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3gqf n LEU 84 CO 0.70 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.21 3gqf n GLY 85 N 1.00 0.64 3.58 -0.72 0.00 -1.11 -4.80 105.19 103.77 3gqf n GLY 85 Ca 0.21 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 3gqf n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gqf s ASN 86 N -4.00 4.26 0.26 1.61 0.01 -1.26 -0.61 114.94 115.21 3gqf s ASN 86 Ca 0.00 -0.60 0.10 0.00 -0.71 0.00 0.00 52.86 51.65 3gqf s ASN 86 Cb 0.00 -0.72 -0.04 0.00 0.41 0.00 0.00 41.25 40.90 3gqf s ASN 86 CO 0.00 0.09 -0.02 0.68 -1.51 0.00 0.00 177.10 176.34 3gqf s VAL 87 N -1.80 3.39 -0.17 1.60 -7.23 -0.04 -4.90 120.40 111.24 3gqf s VAL 87 Ca 0.26 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 3gqf s VAL 87 Cb -0.08 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.07 3gqf s VAL 87 CO 0.16 -0.36 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.50 3gqf s THR 88 N -2.30 2.04 -0.03 5.32 2.01 -1.26 -0.24 115.64 121.18 3gqf s THR 88 Ca 0.31 -0.93 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 3gqf s THR 88 Cb -0.06 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.56 3gqf s THR 88 CO 0.19 0.54 0.60 0.00 -0.69 0.00 0.00 174.62 175.26 3gqf s ALA 89 N 1.24 3.46 1.04 7.40 0.00 0.40 -4.17 121.76 131.13 3gqf s ALA 89 Ca 0.03 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 3gqf s ALA 89 Cb -0.13 -2.76 0.19 0.00 0.00 0.00 0.00 23.12 20.41 3gqf s ALA 89 CO -0.11 0.10 1.00 -0.40 0.00 0.00 0.00 175.76 176.34 3gqf n ASP 90 N 3.03 -0.35 -0.28 0.00 5.68 -0.50 -1.17 116.55 122.96 3gqf n ASP 90 Ca -0.06 -1.30 0.08 0.00 -0.50 0.00 0.00 54.79 53.01 3gqf n ASP 90 Cb 0.51 -0.79 0.23 0.00 -1.14 0.00 0.00 41.12 39.93 3gqf n ASP 90 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3gqf h LYS 91 N 0.00 0.44 0.00 0.11 3.64 -1.96 -0.18 116.57 118.62 3gqf h LYS 91 Ca -0.33 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3gqf h LYS 91 Cb 0.94 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 3gqf h LYS 91 CO 0.23 0.29 0.00 -0.25 -2.27 0.00 0.00 179.45 177.45 3gqf n ASP 92 N -5.00 0.00 0.00 4.20 8.00 -1.26 -4.77 116.55 117.71 3gqf n ASP 92 Ca 0.17 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.25 3gqf n ASP 92 Cb 0.50 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3gqf n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqf n GLY 93 N 0.67 0.68 3.44 0.44 0.00 -0.08 -4.70 105.19 105.65 3gqf n GLY 93 Ca 0.15 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3gqf n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqf s VAL 94 N -2.00 4.28 -0.36 1.61 1.01 -1.26 -1.60 120.40 122.08 3gqf s VAL 94 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3gqf s VAL 94 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3gqf s VAL 94 CO 0.00 0.34 0.30 0.00 0.00 0.00 0.00 175.10 175.74 3gqf s ALA 95 N 1.59 3.49 -0.77 5.51 0.00 0.56 -1.40 121.76 130.74 3gqf s ALA 95 Ca 0.06 -1.43 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 3gqf s ALA 95 Cb -0.15 -2.78 0.11 0.00 0.00 0.00 0.00 23.12 20.30 3gqf s ALA 95 CO 0.03 -1.15 0.99 -0.51 0.00 0.00 0.00 175.76 175.13 3gqf s ASP 96 N 1.72 6.40 0.11 0.00 -0.00 -1.26 -0.94 116.67 122.70 3gqf s ASP 96 Ca 0.08 -1.59 -0.30 0.00 -0.00 0.00 0.00 52.55 50.74 3gqf s ASP 96 Cb -0.18 -2.39 -0.07 0.00 -0.00 0.00 0.00 42.92 40.29 3gqf s ASP 96 CO 0.11 -1.20 1.21 -0.69 -0.00 0.00 0.00 175.17 174.60 3gqf s VAL 97 N 3.11 3.83 -0.24 -1.27 1.01 0.31 -4.91 120.40 122.23 3gqf s VAL 97 Ca 0.25 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 3gqf s VAL 97 Cb -0.12 -3.88 0.13 0.00 0.00 0.00 0.00 36.38 32.50 3gqf s VAL 97 CO 0.00 0.15 0.34 -0.55 0.00 0.00 0.00 175.10 175.04 3gqf s SER 98 N 0.74 0.60 0.04 3.32 0.15 -1.25 -2.15 113.70 115.15 3gqf s SER 98 Ca 0.57 -0.00 0.05 0.00 0.70 0.00 0.00 55.95 57.27 3gqf s SER 98 Cb -0.31 0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 3gqf s SER 98 CO 0.32 -0.32 -0.14 -0.63 1.20 0.00 0.00 173.24 173.67 3gqf s ILE 99 N 2.49 1.11 -0.11 6.45 1.01 0.08 -5.01 121.20 127.21 3gqf s ILE 99 Ca 0.11 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3gqf s ILE 99 Cb -0.15 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.32 3gqf s ILE 99 CO -0.18 -0.02 -0.15 -0.70 0.00 0.00 0.00 174.94 173.90 3gqf s GLU 100 N -1.19 2.18 0.02 2.79 2.12 -1.26 -0.72 118.70 122.63 3gqf s GLU 100 Ca 0.01 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.82 3gqf s GLU 100 Cb -0.08 -1.87 -0.01 0.00 0.26 0.00 0.00 34.13 32.42 3gqf s GLU 100 CO 0.01 -0.08 -0.08 0.34 -0.54 0.00 0.00 175.26 174.92 3gqf s ASP 101 N 1.03 0.90 0.00 -1.70 2.15 -0.48 -4.96 116.67 113.61 3gqf s ASP 101 Ca -0.06 -0.31 0.04 0.00 0.43 0.00 0.00 52.55 52.66 3gqf s ASP 101 Cb -0.15 -0.05 0.01 0.00 -0.30 0.00 0.00 42.92 42.43 3gqf s ASP 101 CO -0.02 -0.02 0.47 -1.20 -0.17 0.00 0.00 175.17 174.22 3gqf n SER 102 N 2.30 0.94 0.09 -0.34 7.64 -1.26 0.14 113.62 123.12 3gqf n SER 102 Ca -0.17 -0.97 -0.18 0.00 1.01 0.00 0.00 58.87 58.56 3gqf n SER 102 Cb 0.56 0.36 -0.14 0.00 -1.01 0.00 0.00 64.21 63.98 3gqf n SER 102 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gqf h VAL 103 N 0.56 1.27 -4.25 0.44 2.07 -1.91 -3.45 116.25 110.97 3gqf h VAL 103 Ca 0.00 -2.86 -0.49 0.00 0.82 0.00 0.00 66.70 64.17 3gqf h VAL 103 Cb 0.15 2.86 0.05 0.00 -1.52 0.00 0.00 31.29 32.83 3gqf h VAL 103 CO 0.00 0.84 0.38 0.27 0.02 0.00 0.00 177.57 179.09 3gqf s ILE 104 N -2.63 4.25 0.07 4.57 -4.36 -1.26 -4.89 121.20 116.96 3gqf s ILE 104 Ca -0.08 0.95 -0.08 0.00 -0.26 0.00 0.00 60.65 61.19 3gqf s ILE 104 Cb 0.06 -3.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.18 3gqf s ILE 104 CO 0.88 -0.74 0.15 -0.55 0.24 0.00 0.00 174.94 174.92 3gqf s SER 105 N -3.30 0.16 -0.11 4.36 0.15 -0.97 -4.58 113.70 109.42 3gqf s SER 105 Ca 0.60 -0.66 0.19 0.00 0.70 0.00 0.00 55.95 56.78 3gqf s SER 105 Cb -0.13 0.31 0.73 0.00 -1.71 0.00 0.00 66.02 65.22 3gqf s SER 105 CO 0.41 -0.68 1.63 0.18 1.20 0.00 0.00 173.24 175.99 3gqf n LEU 106 N 0.11 4.77 -3.85 3.45 4.77 -1.26 -1.77 117.00 123.21 3gqf n LEU 106 Ca -0.16 -2.44 -0.08 0.00 -0.03 0.00 0.00 56.01 53.30 3gqf n LEU 106 Cb 0.62 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3gqf n LEU 106 CO 0.23 0.82 0.34 -0.94 -1.33 0.00 0.00 177.39 176.52 3gqf s SER 107 N -0.92 -0.23 0.18 -1.43 1.04 -1.26 -4.88 113.70 106.21 3gqf s SER 107 Ca 0.51 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3gqf s SER 107 Cb 0.33 0.65 0.00 0.00 0.10 0.00 0.00 66.02 67.10 3gqf s SER 107 CO 0.25 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3gqf n GLY 108 N -0.41 -0.65 0.20 7.32 0.00 -1.26 -3.63 105.19 106.75 3gqf n GLY 108 Ca -0.05 -1.14 0.11 0.00 0.00 0.00 0.00 46.02 44.95 3gqf n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqf h ASP 109 N 3.62 0.00 -0.59 1.61 5.19 -2.01 -2.99 116.42 121.25 3gqf h ASP 109 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3gqf h ASP 109 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3gqf h ASP 109 CO 0.00 0.03 0.05 1.41 -3.12 0.00 0.00 179.24 177.61 3gqf n HIS 110 N -3.04 2.10 -2.00 4.55 8.25 -1.26 -4.96 115.22 118.85 3gqf n HIS 110 Ca 0.03 -0.84 -0.42 0.00 -0.26 0.00 0.00 57.72 56.24 3gqf n HIS 110 Cb 0.54 -0.54 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3gqf n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gqf n ILE 112 N 2.81 0.00 -1.77 0.00 -5.35 -0.73 -4.93 119.36 109.40 3gqf n ILE 112 Ca 0.09 -0.42 -0.42 0.00 -0.27 0.00 0.00 62.75 61.73 3gqf n ILE 112 Cb 0.40 1.17 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 3gqf n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gqf s ILE 113 N -1.33 2.30 0.00 7.28 1.01 -1.26 -1.50 121.20 127.69 3gqf s ILE 113 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3gqf s ILE 113 Cb 0.09 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3gqf s ILE 113 CO 0.25 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3gqf n GLY 114 N 4.01 0.69 3.87 6.18 0.00 0.30 -4.99 105.19 115.26 3gqf n GLY 114 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3gqf n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqf s ARG 115 N -0.31 2.29 -0.19 1.61 0.52 -0.56 -2.49 118.95 119.82 3gqf s ARG 115 Ca 0.00 -1.93 -0.07 0.00 -0.52 0.00 0.00 55.73 53.20 3gqf s ARG 115 Cb 0.00 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 3gqf s ARG 115 CO 0.00 -0.47 0.06 0.99 0.02 0.00 0.00 175.30 175.90 3gqf s THR 116 N -2.70 4.69 -0.10 0.02 2.01 -1.13 -0.97 115.64 117.47 3gqf s THR 116 Ca 0.36 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 3gqf s THR 116 Cb -0.01 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 3gqf s THR 116 CO 0.22 0.44 0.21 -0.22 -0.69 0.00 0.00 174.62 174.58 3gqf s LEU 117 N 0.55 4.40 -0.01 4.42 2.96 -0.06 0.15 118.68 131.09 3gqf s LEU 117 Ca 0.03 0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 3gqf s LEU 117 Cb -0.13 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.35 3gqf s LEU 117 CO 0.01 0.36 0.06 0.54 -1.32 0.00 0.00 176.35 176.00 3gqf s VAL 118 N -0.90 0.03 0.00 1.68 0.11 -0.36 -1.89 120.40 119.08 3gqf s VAL 118 Ca 0.17 -0.28 0.08 0.00 -2.93 0.00 0.00 61.98 59.02 3gqf s VAL 118 Cb -0.13 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 3gqf s VAL 118 CO 0.06 -0.15 -0.23 0.54 -3.33 0.00 0.00 175.10 171.98 3gqf s VAL 119 N -0.46 2.31 0.34 2.04 0.11 -0.68 -2.04 120.40 122.02 3gqf s VAL 119 Ca -0.05 -1.15 0.09 0.00 -2.93 0.00 0.00 61.98 57.93 3gqf s VAL 119 Cb -0.03 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 3gqf s VAL 119 CO 0.00 0.49 0.09 -1.00 -3.33 0.00 0.00 175.10 171.34 3gqf s HIS 120 N -0.73 2.64 0.24 1.54 3.76 -0.21 -1.02 115.29 121.52 3gqf s HIS 120 Ca 0.11 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.68 3gqf s HIS 120 Cb -0.10 -1.58 0.26 0.00 1.11 0.00 0.00 32.58 32.27 3gqf s HIS 120 CO 0.01 0.40 1.56 1.05 -0.85 0.00 0.00 174.74 176.91 3gqf h GLU 121 N 1.66 0.11 -5.39 1.40 4.11 -0.90 -3.38 114.58 112.19 3gqf h GLU 121 Ca -0.43 -0.08 -0.60 0.00 0.07 0.00 0.00 59.36 58.32 3gqf h GLU 121 Cb 1.25 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.38 3gqf h GLU 121 CO 0.65 0.72 -0.57 0.15 0.07 0.00 0.00 179.01 180.02 3gqf s LYS 122 N -3.61 1.94 0.46 1.06 1.02 0.05 -4.91 119.74 115.75 3gqf s LYS 122 Ca -0.02 -2.14 -0.24 0.00 0.02 0.00 0.00 55.97 53.59 3gqf s LYS 122 Cb 0.12 -1.33 -0.07 0.00 -0.52 0.00 0.00 37.83 36.03 3gqf s LYS 122 CO 0.78 -0.20 1.24 0.00 -0.92 0.00 0.00 175.35 176.26 3gqf s ALA 123 N -2.94 3.04 -0.10 5.17 0.00 -1.10 -1.15 121.76 124.69 3gqf s ALA 123 Ca 0.27 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 3gqf s ALA 123 Cb 0.07 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3gqf s ALA 123 CO 0.14 -0.84 1.29 0.34 0.00 0.00 0.00 175.76 176.68 3gqf s ASP 124 N -1.07 6.95 0.00 0.00 -1.08 -1.26 -3.90 116.67 116.30 3gqf s ASP 124 Ca 0.63 1.82 0.32 0.00 -0.52 0.00 0.00 52.55 54.79 3gqf s ASP 124 Cb -0.34 -2.55 1.87 0.00 -1.46 0.00 0.00 42.92 40.44 3gqf s ASP 124 CO 0.42 -0.71 2.20 -0.90 0.52 0.00 0.00 175.17 176.70 3gqf n ASP 125 N 6.02 0.03 -1.68 -0.34 5.68 0.63 -4.87 116.55 122.02 3gqf n ASP 125 Ca 0.13 -1.02 -0.17 0.00 -0.50 0.00 0.00 54.79 53.23 3gqf n ASP 125 Cb 0.45 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 3gqf n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gqf n LEU 126 N -0.97 -1.56 0.00 -2.12 4.77 -1.26 -2.30 117.00 113.56 3gqf n LEU 126 Ca 0.24 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3gqf n LEU 126 Cb 0.11 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 3gqf n LEU 126 CO 0.18 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 3gqf n GLY 127 N -0.98 0.67 0.71 -0.72 0.00 -1.24 -3.61 105.19 100.02 3gqf n GLY 127 Ca -0.19 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.87 3gqf n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gqf n LYS 128 N -2.66 2.90 0.01 1.61 5.02 -0.97 -4.61 118.16 119.46 3gqf n LYS 128 Ca 0.00 -2.29 0.14 0.00 -2.02 0.00 0.00 58.31 54.14 3gqf n LYS 128 Cb 0.00 -1.45 0.59 0.00 -0.02 0.00 0.00 35.03 34.16 3gqf n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqf n GLY 129 N 0.18 -1.52 2.21 0.72 0.00 -1.26 -4.94 105.19 100.57 3gqf n GLY 129 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3gqf n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqf n GLY 130 N 1.48 0.65 3.29 -0.02 0.00 -1.26 -5.00 105.19 104.33 3gqf n GLY 130 Ca 0.07 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3gqf n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqf s ASN 131 N -2.81 1.01 0.18 1.61 2.20 -1.26 -5.06 114.94 110.80 3gqf s ASN 131 Ca 0.00 -1.43 -0.12 0.00 -0.94 0.00 0.00 52.86 50.37 3gqf s ASN 131 Cb 0.00 0.27 0.08 0.00 -2.00 0.00 0.00 41.25 39.61 3gqf s ASN 131 CO 0.00 -0.80 1.77 -0.08 -2.94 0.00 0.00 177.10 175.06 3gqf h GLU 132 N 2.40 0.85 -0.39 3.55 4.81 -2.00 -2.76 114.58 121.05 3gqf h GLU 132 Ca -0.36 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 58.68 3gqf h GLU 132 Cb 1.25 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3gqf h GLU 132 CO 0.57 0.67 -0.04 1.49 -0.73 0.00 0.00 179.01 180.96 3gqf h GLU 133 N 0.82 0.64 -0.68 1.92 4.57 -1.99 -2.87 114.58 117.00 3gqf h GLU 133 Ca 0.21 -0.17 0.13 0.00 -1.18 0.00 0.00 59.36 58.35 3gqf h GLU 133 Cb 0.09 -0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.51 3gqf h GLU 133 CO -0.03 0.69 0.21 1.03 -1.18 0.00 0.00 179.01 179.73 3gqf h SER 134 N 0.60 0.13 -0.25 1.04 0.87 -1.83 0.44 113.55 114.56 3gqf h SER 134 Ca 0.12 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3gqf h SER 134 Cb 0.44 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3gqf h SER 134 CO 0.02 0.05 0.00 0.35 -0.53 0.00 0.00 176.83 176.72 3gqf n THR 135 N -5.07 0.32 -0.10 2.23 -2.24 -1.10 -2.06 114.28 106.26 3gqf n THR 135 Ca 0.12 -0.41 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 3gqf n THR 135 Cb 0.37 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 3gqf n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gqf n LYS 136 N 0.43 0.52 0.00 -0.78 5.02 -0.06 -2.05 118.16 121.23 3gqf n LYS 136 Ca 0.15 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3gqf n LYS 136 Cb 0.32 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3gqf n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gqf n THR 137 N -4.31 0.00 -0.99 -0.18 -2.24 0.13 -4.55 114.28 102.15 3gqf n THR 137 Ca -0.29 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3gqf n THR 137 Cb 0.65 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3gqf n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqf n GLY 138 N 0.92 0.44 3.79 3.38 0.00 -0.87 -4.32 105.19 108.53 3gqf n GLY 138 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 3gqf n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gqf n ASN 139 N 1.03 -4.06 -0.55 1.61 3.02 -1.26 -0.27 115.26 114.79 3gqf n ASN 139 Ca 0.00 -0.74 0.07 0.00 -0.03 0.00 0.00 54.58 53.88 3gqf n ASN 139 Cb 0.00 -4.18 0.22 0.00 -0.61 0.00 0.00 39.78 35.21 3gqf n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqf n ALA 140 N -4.62 2.48 -0.12 5.41 0.00 -1.25 -4.75 120.51 117.66 3gqf n ALA 140 Ca -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3gqf n ALA 140 Cb 0.58 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3gqf n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqf n GLY 141 N 1.03 -0.72 3.74 0.00 0.00 -1.26 -0.77 105.19 107.21 3gqf n GLY 141 Ca 0.12 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 3gqf n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqf s SER 142 N -4.00 5.07 -0.17 1.61 0.01 -1.26 -4.67 113.70 110.29 3gqf s SER 142 Ca 0.00 2.74 -0.29 0.00 1.31 0.00 0.00 55.95 59.70 3gqf s SER 142 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 3gqf s SER 142 CO 0.00 -1.70 1.22 -0.13 0.41 0.00 0.00 173.24 173.04 3gqf s ARG 143 N -3.04 4.24 -0.11 12.44 0.52 -1.26 -1.00 118.95 130.74 3gqf s ARG 143 Ca 0.75 1.61 0.08 0.00 -0.52 0.00 0.00 55.73 57.65 3gqf s ARG 143 Cb -0.40 -3.74 -0.24 0.00 0.52 0.00 0.00 34.95 31.10 3gqf s ARG 143 CO 0.46 -0.68 0.38 1.28 0.02 0.00 0.00 175.30 176.76 3gqf n LEU 144 N 6.50 1.33 -3.56 2.53 4.77 -0.18 -4.94 117.00 123.46 3gqf n LEU 144 Ca 0.13 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 56.19 3gqf n LEU 144 Cb 0.45 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3gqf n LEU 144 CO 0.55 0.58 0.50 0.00 -1.33 0.00 0.00 177.39 177.69 3gqf s ALA 145 N -2.56 -1.81 0.26 -1.18 0.00 -1.17 -4.18 121.76 111.12 3gqf s ALA 145 Ca -0.13 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 3gqf s ALA 145 Cb 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3gqf s ALA 145 CO 0.79 -0.35 0.46 0.00 0.00 0.00 0.00 175.76 176.66 3gqf s GLY 147 N -3.06 -0.35 0.06 0.00 0.00 -0.80 -1.55 107.32 101.63 3gqf s GLY 147 Ca 0.25 0.59 -0.21 0.00 0.00 0.00 0.00 44.72 45.35 3gqf s GLY 147 CO 0.11 0.17 0.62 0.14 0.00 0.00 0.00 173.10 174.14 3gqf s VAL 148 N -3.13 4.74 -0.28 1.40 1.01 -1.26 -0.88 120.40 121.99 3gqf s VAL 148 Ca 0.09 1.33 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 3gqf s VAL 148 Cb -0.01 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.42 3gqf s VAL 148 CO -0.03 0.49 1.00 -0.63 0.00 0.00 0.00 175.10 175.93 3gqf s ILE 149 N -0.75 4.63 0.22 2.22 1.01 -0.14 -4.43 121.20 123.97 3gqf s ILE 149 Ca 0.31 1.72 0.09 0.00 0.00 0.00 0.00 60.65 62.77 3gqf s ILE 149 Cb -0.20 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 3gqf s ILE 149 CO 0.20 -0.32 -0.02 -0.83 0.00 0.00 0.00 174.94 173.97 3gqf s GLY 150 N 1.49 1.68 0.22 6.18 0.00 0.85 -0.54 107.32 117.21 3gqf s GLY 150 Ca 0.42 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.31 3gqf s GLY 150 CO 0.11 -1.57 1.45 -0.42 0.00 0.00 0.00 173.10 172.68 3gqf s ILE 151 N -2.01 2.73 0.33 0.90 1.01 -1.26 -0.29 121.20 122.61 3gqf s ILE 151 Ca 0.29 0.59 0.09 0.00 0.00 0.00 0.00 60.65 61.61 3gqf s ILE 151 Cb -0.08 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3gqf s ILE 151 CO 0.19 0.08 0.07 0.00 0.00 0.00 0.00 174.94 175.28 3gqf s ALA 152 N 0.28 3.33 -2.18 9.38 0.00 -0.70 -4.75 121.76 127.12 3gqf s ALA 152 Ca 0.61 -1.87 0.31 0.00 0.00 0.00 0.00 51.96 51.01 3gqf s ALA 152 Cb -0.41 -0.58 1.60 0.00 0.00 0.00 0.00 23.12 23.73 3gqf s ALA 152 CO 0.40 0.07 2.06 0.94 0.00 0.00 0.00 175.76 179.23