#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 4.59 0.14 0.00 2.01 -0.87 -4.92 115.64 116.59 3gqf s THR 2 Ca 0.00 1.19 0.11 0.00 0.31 0.00 0.00 61.69 63.30 3gqf s THR 2 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3gqf s THR 2 CO 0.00 0.06 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.20 3gqf s LYS 3 N -2.33 1.38 0.18 4.92 1.02 -1.26 -1.69 119.74 121.95 3gqf s LYS 3 Ca 0.47 -1.36 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 3gqf s LYS 3 Cb -0.14 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 3gqf s LYS 3 CO 0.20 0.42 0.14 0.00 -0.92 0.00 0.00 175.35 175.18 3gqf s ALA 4 N -1.20 0.90 -0.01 5.17 0.00 -0.62 -2.16 121.76 123.82 3gqf s ALA 4 Ca 0.14 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.43 3gqf s ALA 4 Cb -0.10 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.20 3gqf s ALA 4 CO 0.06 -0.57 0.33 0.54 0.00 0.00 0.00 175.76 176.12 3gqf s VAL 5 N -4.10 0.05 -0.02 0.00 0.11 0.09 -1.22 120.40 115.32 3gqf s VAL 5 Ca 0.31 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 3gqf s VAL 5 Cb 0.06 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3gqf s VAL 5 CO 0.07 -0.25 0.02 0.00 -3.33 0.00 0.00 175.10 171.61 3gqf s VAL 7 N 0.85 5.17 -0.23 0.00 1.01 -1.26 -1.06 120.40 124.88 3gqf s VAL 7 Ca -0.07 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3gqf s VAL 7 Cb -0.11 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3gqf s VAL 7 CO -0.02 0.07 0.55 -0.76 0.00 0.00 0.00 175.10 174.94 3gqf s LEU 8 N 1.71 4.10 0.05 3.92 1.43 0.27 -3.92 118.68 126.24 3gqf s LEU 8 Ca 0.06 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3gqf s LEU 8 Cb -0.17 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 3gqf s LEU 8 CO 0.10 -0.26 -0.05 -0.54 0.23 0.00 0.00 176.35 175.83 3gqf s LYS 9 N 2.05 0.53 0.00 1.70 1.02 -0.32 -1.36 119.74 123.36 3gqf s LYS 9 Ca 0.24 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.28 3gqf s LYS 9 Cb -0.16 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 3gqf s LYS 9 CO 0.09 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 3gqf n GLY 10 N 0.84 3.99 0.06 -3.33 0.00 -1.25 -1.30 105.19 104.21 3gqf n GLY 10 Ca -0.19 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 44.87 3gqf n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqf n ASP 11 N -0.09 0.64 0.00 1.61 8.00 -1.26 -4.92 116.55 120.53 3gqf n ASP 11 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.76 3gqf n ASP 11 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3gqf n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqf n GLY 12 N 1.36 3.37 0.25 0.44 0.00 -1.26 -5.04 105.19 104.32 3gqf n GLY 12 Ca 0.05 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.33 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 0.99 -2.58 1.61 -0.04 -1.26 -4.90 135.00 128.82 3gqf n PRO 13 Ca 0.00 -0.51 -0.43 0.00 -0.04 0.00 0.00 63.50 62.52 3gqf n PRO 13 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 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 -2.36 4.54 -0.07 0.52 1.01 -1.26 -4.28 120.40 118.49 3gqf s VAL 14 Ca 0.29 1.85 -0.17 0.00 0.00 0.00 0.00 61.98 63.95 3gqf s VAL 14 Cb 0.20 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.43 3gqf s VAL 14 CO 0.46 -0.11 0.41 0.00 0.00 0.00 0.00 175.10 175.86 3gqf s GLN 15 N 2.91 0.66 0.34 2.72 -2.07 -0.94 -3.78 119.66 119.50 3gqf s GLN 15 Ca 0.49 0.16 -0.18 0.00 -1.82 0.00 0.00 55.36 54.02 3gqf s GLN 15 Cb -0.19 0.31 0.04 0.00 -1.09 0.00 0.00 33.01 32.08 3gqf s GLN 15 CO 0.13 -0.16 0.76 0.20 -1.32 0.00 0.00 175.29 174.90 3gqf s GLY 16 N -0.74 0.18 -0.09 2.60 0.00 -0.46 -1.43 107.32 107.37 3gqf s GLY 16 Ca -0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 44.72 44.06 3gqf s GLY 16 CO 0.04 -0.21 -0.03 -0.42 0.00 0.00 0.00 173.10 172.48 3gqf s ILE 17 N -2.96 0.64 -0.11 0.90 1.01 -0.60 -0.56 121.20 119.50 3gqf s ILE 17 Ca 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.74 3gqf s ILE 17 Cb -0.05 -0.76 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 3gqf s ILE 17 CO 0.10 0.28 -0.18 -0.63 0.00 0.00 0.00 174.94 174.50 3gqf s ILE 18 N 1.86 2.58 0.05 2.92 -1.09 -0.23 -2.28 121.20 125.02 3gqf s ILE 18 Ca 0.05 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 3gqf s ILE 18 Cb -0.13 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 3gqf s ILE 18 CO -0.06 0.54 0.04 0.20 -1.23 0.00 0.00 174.94 174.43 3gqf s ASN 19 N 0.31 5.32 0.03 3.58 -0.87 0.84 -0.64 114.94 123.51 3gqf s ASN 19 Ca -0.14 -0.03 0.06 0.00 -1.57 0.00 0.00 52.86 51.18 3gqf s ASN 19 Cb -0.17 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.25 39.64 3gqf s ASN 19 CO 0.07 0.22 -0.17 -0.36 -2.57 0.00 0.00 177.10 174.28 3gqf s PHE 20 N -1.26 1.53 -0.13 2.20 0.40 -0.35 -1.10 117.98 119.27 3gqf s PHE 20 Ca 0.25 -0.35 -0.07 0.00 -0.60 0.00 0.00 56.93 56.16 3gqf s PHE 20 Cb -0.12 -0.92 0.05 0.00 0.51 0.00 0.00 43.02 42.54 3gqf s PHE 20 CO 0.17 0.05 0.30 -2.00 0.70 0.00 0.00 175.22 174.44 3gqf s GLU 21 N -1.06 0.27 -0.30 0.44 2.12 -0.29 -1.60 118.70 118.29 3gqf s GLU 21 Ca 0.05 0.60 -0.00 0.00 0.36 0.00 0.00 54.97 55.98 3gqf s GLU 21 Cb -0.08 -0.07 0.09 0.00 0.26 0.00 0.00 34.13 34.33 3gqf s GLU 21 CO 0.01 -0.15 0.07 -1.14 -0.54 0.00 0.00 175.26 173.51 3gqf s GLN 22 N 1.22 0.90 0.45 4.30 0.74 -0.68 -0.49 119.66 126.10 3gqf s GLN 22 Ca -0.09 -1.14 0.22 0.00 0.05 0.00 0.00 55.36 54.41 3gqf s GLN 22 Cb -0.09 -2.23 1.04 0.00 1.10 0.00 0.00 33.01 32.83 3gqf s GLN 22 CO -0.09 -0.92 1.90 0.87 -0.55 0.00 0.00 175.29 176.50 3gqf h LYS 23 N 8.02 0.00 -4.44 1.67 1.57 -1.83 -2.31 116.57 119.24 3gqf h LYS 23 Ca -0.13 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.42 3gqf h LYS 23 Cb 1.03 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.14 3gqf h LYS 23 CO 0.46 0.24 -0.72 -1.21 -0.57 0.00 0.00 179.45 177.66 3gqf s GLU 24 N -3.94 0.54 0.03 3.15 2.02 -1.26 -3.49 118.70 115.74 3gqf s GLU 24 Ca -0.01 -0.85 -0.34 0.00 0.02 0.00 0.00 54.97 53.79 3gqf s GLU 24 Cb 0.12 -0.17 -0.13 0.00 0.10 0.00 0.00 34.13 34.06 3gqf s GLU 24 CO 0.64 0.01 1.75 0.45 0.02 0.00 0.00 175.26 178.13 3gqf n SER 25 N 1.17 3.31 0.00 -0.19 2.88 -1.26 -1.00 113.62 118.53 3gqf n SER 25 Ca -0.21 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 3gqf n SER 25 Cb 0.56 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 3gqf n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3gqf n ASN 26 N 5.19 0.00 -3.32 -3.46 5.15 -1.26 -4.98 115.26 112.58 3gqf n ASN 26 Ca 0.20 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.89 3gqf n ASN 26 Cb 0.29 -1.11 0.27 0.00 -0.53 0.00 0.00 39.78 38.70 3gqf n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gqf n GLY 27 N -2.00 -3.53 3.76 8.20 0.00 -0.17 -4.98 105.19 106.47 3gqf n GLY 27 Ca 0.00 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 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 -5.13 3.63 -0.21 1.61 0.04 -1.26 -4.82 135.00 128.86 3gqf s PRO 28 Ca 0.66 1.93 -0.07 0.00 0.04 0.00 0.00 61.00 63.56 3gqf s PRO 28 Cb -0.10 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3gqf s PRO 28 CO 0.53 -0.70 0.07 0.08 0.04 0.00 0.00 177.00 177.02 3gqf s VAL 29 N -1.45 4.59 -0.27 -0.36 1.01 0.12 -4.37 120.40 119.66 3gqf s VAL 29 Ca 0.65 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 3gqf s VAL 29 Cb -0.33 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3gqf s VAL 29 CO 0.40 0.40 0.61 -0.75 0.00 0.00 0.00 175.10 175.76 3gqf s LYS 30 N 0.92 4.02 -0.18 2.72 2.20 0.36 -1.48 119.74 128.29 3gqf s LYS 30 Ca 0.04 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.05 3gqf s LYS 30 Cb -0.14 -3.68 -0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3gqf s LYS 30 CO 0.03 -0.46 -0.11 0.54 -0.36 0.00 0.00 175.35 174.98 3gqf s VAL 31 N 2.51 2.88 0.01 4.02 0.11 -0.31 -1.14 120.40 128.47 3gqf s VAL 31 Ca 0.25 -0.68 -0.14 0.00 -2.93 0.00 0.00 61.98 58.48 3gqf s VAL 31 Cb -0.15 -2.26 0.02 0.00 -1.53 0.00 0.00 36.38 32.46 3gqf s VAL 31 CO 0.10 0.48 0.30 -1.66 -3.33 0.00 0.00 175.10 170.99 3gqf s TRP 32 N 1.13 -0.15 -4.85 1.54 -2.14 -0.26 -0.65 118.94 113.57 3gqf s TRP 32 Ca 0.01 0.15 0.00 0.00 2.66 0.00 0.00 56.10 58.91 3gqf s TRP 32 Cb -0.14 0.09 0.00 0.00 -3.10 0.00 0.00 33.47 30.32 3gqf s TRP 32 CO -0.04 -0.43 0.00 0.41 -2.66 0.00 0.00 176.95 174.24 3gqf n GLY 33 N 1.03 -0.49 2.93 3.67 0.00 -0.92 -0.11 105.19 111.29 3gqf n GLY 33 Ca -0.21 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.97 -0.72 113.70 109.66 3gqf s SER 34 Ca 0.00 0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.86 3gqf s SER 34 Cb 0.00 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 3gqf s SER 34 CO 0.00 -0.05 -0.19 -0.63 1.20 0.00 0.00 173.24 173.57 3gqf s ILE 35 N 0.30 1.54 0.32 6.45 1.01 -0.58 -1.56 121.20 128.67 3gqf s ILE 35 Ca -0.02 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.92 3gqf s ILE 35 Cb -0.03 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 3gqf s ILE 35 CO -0.01 0.44 -0.06 -1.59 0.00 0.00 0.00 174.94 173.72 3gqf s LYS 36 N -0.04 1.69 0.00 2.79 -2.85 -0.52 -0.33 119.74 120.48 3gqf s LYS 36 Ca -0.03 -1.87 0.00 0.00 -1.00 0.00 0.00 55.97 53.07 3gqf s LYS 36 Cb -0.11 -1.38 0.00 0.00 -2.06 0.00 0.00 37.83 34.28 3gqf s LYS 36 CO 0.02 0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.94 3gqf n GLY 37 N -0.69 0.73 3.88 0.59 0.00 -0.94 -2.22 105.19 106.53 3gqf n GLY 37 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 4.17 0.45 0.99 1.02 -0.78 -4.34 118.68 120.19 3gqf s LEU 38 Ca 0.00 0.88 -0.23 0.00 0.02 0.00 0.00 54.13 54.81 3gqf s LEU 38 Cb 0.00 -3.65 -0.08 0.00 0.02 0.00 0.00 46.19 42.49 3gqf s LEU 38 CO 0.00 -0.07 1.11 0.42 0.02 0.00 0.00 176.35 177.83 3gqf s THR 39 N -1.81 3.38 0.32 5.49 -4.23 -1.26 -4.11 115.64 113.42 3gqf s THR 39 Ca 0.47 1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 61.69 3gqf s THR 39 Cb -0.11 -3.49 -0.12 0.00 1.34 0.00 0.00 72.50 70.12 3gqf s THR 39 CO 0.22 -0.05 1.36 1.21 -0.54 0.00 0.00 174.62 176.82 3gqf n GLU 40 N -0.51 2.21 0.00 3.99 2.13 -1.26 -4.61 120.64 122.59 3gqf n GLU 40 Ca 0.07 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.67 3gqf n GLU 40 Cb 0.49 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.80 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 1.18 -0.00 3.81 8.31 0.00 -0.58 -4.92 105.19 112.97 3gqf n GLY 41 Ca 0.06 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 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 4.41 -0.02 0.99 1.02 -1.26 -0.39 118.68 123.43 3gqf s LEU 42 Ca 0.00 1.44 0.00 0.00 0.02 0.00 0.00 54.13 55.59 3gqf s LEU 42 Cb 0.00 -3.45 0.03 0.00 0.02 0.00 0.00 46.19 42.79 3gqf s LEU 42 CO 0.00 0.10 0.01 -1.00 0.02 0.00 0.00 176.35 175.48 3gqf s HIS 43 N -1.40 0.17 0.48 0.29 3.76 -0.04 -3.00 115.29 115.55 3gqf s HIS 43 Ca 0.40 0.06 -0.24 0.00 -0.15 0.00 0.00 55.06 55.13 3gqf s HIS 43 Cb -0.18 -0.32 -0.07 0.00 1.11 0.00 0.00 32.58 33.12 3gqf s HIS 43 CO 0.22 -0.11 1.41 0.20 -0.85 0.00 0.00 174.74 175.62 3gqf s GLY 44 N 1.02 2.91 -0.20 -2.22 0.00 0.02 -1.27 107.32 107.58 3gqf s GLY 44 Ca -0.09 1.44 -0.04 0.00 0.00 0.00 0.00 44.72 46.03 3gqf s GLY 44 CO -0.02 2.03 0.26 -0.12 0.00 0.00 0.00 173.10 175.25 3gqf s PHE 45 N -1.23 -0.43 0.16 1.90 5.36 -0.14 -0.81 117.98 122.80 3gqf s PHE 45 Ca 0.64 0.51 -0.14 0.00 -0.96 0.00 0.00 56.93 56.98 3gqf s PHE 45 Cb -0.43 -0.21 0.02 0.00 -0.34 0.00 0.00 43.02 42.06 3gqf s PHE 45 CO 0.54 -0.58 0.41 -0.98 -1.46 0.00 0.00 175.22 173.15 3gqf s ARG 46 N 2.39 1.22 -0.25 10.12 3.03 -0.72 -2.81 118.95 131.93 3gqf s ARG 46 Ca 0.07 -0.92 -0.10 0.00 2.03 0.00 0.00 55.73 56.81 3gqf s ARG 46 Cb -0.15 0.46 -0.04 0.00 -1.03 0.00 0.00 34.95 34.18 3gqf s ARG 46 CO -0.12 -0.48 0.14 0.08 -1.13 0.00 0.00 175.30 173.78 3gqf s VAL 47 N -3.88 5.06 0.40 4.99 1.01 -0.35 -0.64 120.40 126.99 3gqf s VAL 47 Ca 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 3gqf s VAL 47 Cb 0.01 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3gqf s VAL 47 CO -0.05 0.33 0.67 -1.10 0.00 0.00 0.00 175.10 174.96 3gqf s GLN 48 N 1.28 3.56 0.23 2.72 -0.21 0.85 -0.62 119.66 127.46 3gqf s GLN 48 Ca 0.06 0.02 -0.06 0.00 0.02 0.00 0.00 55.36 55.41 3gqf s GLN 48 Cb -0.14 -2.51 0.22 0.00 1.00 0.00 0.00 33.01 31.58 3gqf s GLN 48 CO 0.06 -0.02 1.75 1.49 -2.12 0.00 0.00 175.29 176.45 3gqf h GLU 49 N 0.70 1.01 -6.00 2.91 4.81 -0.64 -3.08 114.58 114.29 3gqf h GLU 49 Ca -0.48 -0.24 -0.68 0.00 -0.13 0.00 0.00 59.36 57.83 3gqf h GLU 49 Cb 1.21 -0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.26 3gqf h GLU 49 CO 0.62 0.91 -0.68 -0.06 -0.73 0.00 0.00 179.01 179.08 3gqf s PHE 50 N -5.22 2.98 -0.25 0.92 0.08 -0.57 -4.73 117.98 111.19 3gqf s PHE 50 Ca -0.11 -0.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 3gqf s PHE 50 Cb 0.15 -1.76 -0.10 0.00 -0.57 0.00 0.00 43.02 40.74 3gqf s PHE 50 CO 0.83 0.30 3.19 0.41 -0.10 0.00 0.00 175.22 179.85 3gqf n GLY 51 N 2.39 3.69 3.14 4.36 0.00 -0.92 -3.31 105.19 114.54 3gqf n GLY 51 Ca -0.18 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 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 1.17 5.09 -0.29 1.61 -1.08 -1.26 -4.94 116.67 116.98 3gqf s ASP 52 Ca 0.63 -1.74 0.09 0.00 -0.52 0.00 0.00 52.55 51.01 3gqf s ASP 52 Cb 0.35 -1.77 0.51 0.00 -1.46 0.00 0.00 42.92 40.55 3gqf s ASP 52 CO -0.11 -0.42 1.48 0.59 0.52 0.00 0.00 175.17 177.22 3gqf n ASN 53 N 4.59 2.64 0.22 -0.34 3.02 -1.26 -2.44 115.26 121.69 3gqf n ASN 53 Ca -0.06 -3.70 0.06 0.00 -0.03 0.00 0.00 54.58 50.85 3gqf n ASN 53 Cb 0.42 -0.64 0.51 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.07 1.07 -0.99 3.41 1.35 -1.92 -2.02 112.91 114.88 3gqf h THR 54 Ca 0.22 -0.73 -0.58 0.00 -0.55 0.00 0.00 66.41 64.77 3gqf h THR 54 Cb 1.69 1.40 -0.40 0.00 -1.73 0.00 0.00 68.15 69.10 3gqf h THR 54 CO 0.40 0.20 -0.52 0.00 -0.25 0.00 0.00 175.52 175.35 3gqf n ALA 55 N -2.47 5.25 -0.40 6.62 0.00 -1.26 -5.07 120.51 123.18 3gqf n ALA 55 Ca -0.02 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.54 3gqf n ALA 55 Cb 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.68 0.91 0.18 0.00 0.00 -0.76 -3.72 105.19 101.12 3gqf n GLY 56 Ca 0.46 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 1.24 0.00 0.00 1.35 -1.91 -3.23 112.91 110.36 3gqf h THR 58 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3gqf h THR 58 Cb 0.81 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 3gqf h THR 58 CO 0.00 0.25 0.00 -1.54 -0.25 0.00 0.00 175.52 173.98 3gqf n SER 59 N -4.37 0.00 0.00 5.36 3.41 -1.24 -3.62 113.62 113.15 3gqf n SER 59 Ca 0.10 -0.64 0.10 0.00 -0.26 0.00 0.00 58.87 58.18 3gqf n SER 59 Cb 0.04 -0.10 0.45 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.10 1.97 -0.05 7.33 0.00 -1.02 -4.59 120.51 123.04 3gqf n ALA 60 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3gqf n ALA 60 Cb 0.14 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.62 -0.47 3.92 0.00 0.00 -1.24 -1.51 105.19 106.51 3gqf n GLY 61 Ca 0.06 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 2.40 0.36 1.61 0.04 -1.26 -4.71 135.00 133.44 3gqf s PRO 62 Ca 0.00 -0.09 -0.26 0.00 0.04 0.00 0.00 61.00 60.69 3gqf s PRO 62 Cb 0.00 -2.16 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 3gqf s PRO 62 CO 0.00 -1.13 0.99 0.72 0.04 0.00 0.00 177.00 177.62 3gqf n HIS 63 N -2.89 1.17 -1.79 0.56 8.25 -1.26 -0.33 115.22 118.93 3gqf n HIS 63 Ca 0.07 0.63 -0.42 0.00 -0.26 0.00 0.00 57.72 57.73 3gqf n HIS 63 Cb 0.60 -2.23 -0.03 0.00 1.12 0.00 0.00 29.99 29.44 3gqf n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3gqf s PHE 64 N -1.18 1.52 -0.41 4.41 5.36 0.21 -4.44 117.98 123.46 3gqf s PHE 64 Ca 0.61 -0.07 0.09 0.00 -0.96 0.00 0.00 56.93 56.59 3gqf s PHE 64 Cb -0.63 -4.10 0.30 0.00 -0.34 0.00 0.00 43.02 38.26 3gqf s PHE 64 CO 0.59 -4.69 0.75 -1.71 -1.46 0.00 0.00 175.22 168.70 3gqf n ASN 65 N 8.06 -0.48 0.18 6.13 5.15 -1.26 -1.06 115.26 131.98 3gqf n ASN 65 Ca 0.20 -3.07 0.14 0.00 -0.60 0.00 0.00 54.58 51.25 3gqf n ASN 65 Cb 0.42 0.18 0.49 0.00 -0.53 0.00 0.00 39.78 40.35 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 3.47 0.00 -0.63 1.20 0.13 -1.92 -2.92 132.00 131.33 3gqf h PRO 66 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3gqf h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3gqf h PRO 66 CO 0.40 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 3gqf n LEU 67 N -2.60 5.23 -4.15 1.56 4.77 -1.26 -4.97 117.00 115.58 3gqf n LEU 67 Ca 0.03 -2.65 -0.33 0.00 -0.03 0.00 0.00 56.01 53.03 3gqf n LEU 67 Cb 0.33 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3gqf n LEU 67 CO 0.26 0.71 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.72 3gqf n SER 68 N 0.86 -2.38 -3.51 -1.43 7.64 -1.10 -4.97 113.62 108.73 3gqf n SER 68 Ca 0.27 -1.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.00 3gqf n SER 68 Cb 1.04 -2.81 0.06 0.00 -1.01 0.00 0.00 64.21 61.50 3gqf n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gqf n ARG 69 N -4.41 0.34 -3.99 1.43 3.00 -1.26 -5.13 116.66 106.64 3gqf n ARG 69 Ca -0.04 -1.61 -0.21 0.00 -0.01 0.00 0.00 57.85 55.97 3gqf n ARG 69 Cb 0.55 -0.32 -0.03 0.00 0.00 0.00 0.00 32.46 32.66 3gqf n ARG 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3gqf s LYS 70 N -3.84 3.08 0.14 5.56 1.02 -1.26 -4.80 119.74 119.64 3gqf s LYS 70 Ca 0.37 -0.98 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 3gqf s LYS 70 Cb -0.02 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 3gqf s LYS 70 CO 0.24 0.35 1.41 -1.58 -0.92 0.00 0.00 175.35 174.85 3gqf s HIS 71 N -2.11 3.21 0.08 3.18 5.65 -1.20 -2.98 115.29 121.12 3gqf s HIS 71 Ca 0.35 0.94 0.00 0.00 0.25 0.00 0.00 55.06 56.60 3gqf s HIS 71 Cb -0.08 -3.71 -0.00 0.00 -1.18 0.00 0.00 32.58 27.61 3gqf s HIS 71 CO 0.27 -2.48 0.10 0.41 -0.65 0.00 0.00 174.74 172.38 3gqf n GLY 72 N 3.34 3.14 3.88 1.59 0.00 -1.21 -4.42 105.19 111.51 3gqf n GLY 72 Ca 0.11 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.48 1.63 0.59 -0.02 0.00 -1.25 -4.75 107.32 102.04 3gqf s GLY 73 Ca 0.07 -0.30 0.34 0.00 0.00 0.00 0.00 44.72 44.83 3gqf s GLY 73 CO 0.05 0.03 2.21 -0.56 0.00 0.00 0.00 173.10 174.83 3gqf h PRO 74 N -0.52 0.00 0.00 2.90 0.13 -1.88 -1.88 132.00 130.75 3gqf h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3gqf h PRO 74 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gqf h PRO 74 CO 0.63 0.04 -0.59 0.87 -0.23 0.00 0.00 178.00 178.72 3gqf h LYS 75 N 0.00 0.00 -7.04 0.86 1.79 -1.93 -3.47 116.57 106.79 3gqf h LYS 75 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3gqf h LYS 75 Cb 0.16 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 30.88 3gqf h LYS 75 CO 0.01 0.00 0.47 -0.51 -1.08 0.00 0.00 179.45 178.34 3gqf s ASP 76 N -5.63 5.93 0.15 0.86 1.01 -0.71 -4.94 116.67 113.35 3gqf s ASP 76 Ca 0.03 2.29 -0.03 0.00 0.71 0.00 0.00 52.55 55.55 3gqf s ASP 76 Cb 0.08 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 3gqf s ASP 76 CO 0.74 -1.08 1.37 -0.08 0.21 0.00 0.00 175.17 176.33 3gqf h GLU 77 N 1.68 0.41 -5.33 8.23 4.22 -1.90 -3.38 114.58 118.51 3gqf h GLU 77 Ca -0.50 -0.38 -0.66 0.00 0.08 0.00 0.00 59.36 57.90 3gqf h GLU 77 Cb 1.26 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.45 3gqf h GLU 77 CO 0.59 1.03 0.93 -2.00 -2.18 0.00 0.00 179.01 177.38 3gqf s GLU 78 N -3.45 3.52 0.11 1.92 2.56 -1.26 -4.96 118.70 117.14 3gqf s GLU 78 Ca -0.06 -1.47 -0.08 0.00 0.00 0.00 0.00 54.97 53.36 3gqf s GLU 78 Cb 0.10 -4.89 -0.00 0.00 2.00 0.00 0.00 34.13 31.33 3gqf s GLU 78 CO 0.85 -1.87 0.21 -0.98 -0.56 0.00 0.00 175.26 172.91 3gqf s ARG 79 N 3.41 0.93 0.56 4.30 1.70 -1.18 -3.33 118.95 125.35 3gqf s ARG 79 Ca 0.34 -1.03 -0.17 0.00 -0.47 0.00 0.00 55.73 54.40 3gqf s ARG 79 Cb -0.06 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 3gqf s ARG 79 CO -0.06 -0.31 1.05 -1.01 -1.08 0.00 0.00 175.30 173.89 3gqf s HIS 80 N -3.90 3.00 0.29 5.89 3.76 -1.16 -4.52 115.29 118.66 3gqf s HIS 80 Ca 0.09 1.53 0.02 0.00 -0.15 0.00 0.00 55.06 56.55 3gqf s HIS 80 Cb 0.05 -3.02 0.60 0.00 1.11 0.00 0.00 32.58 31.32 3gqf s HIS 80 CO -0.08 -1.02 1.81 0.28 -0.85 0.00 0.00 174.74 174.89 3gqf h VAL 81 N 0.76 0.85 0.00 -0.90 2.07 -1.78 -2.53 116.25 114.72 3gqf h VAL 81 Ca -0.48 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3gqf h VAL 81 Cb 1.22 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gqf h VAL 81 CO 0.58 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3gqf n GLY 82 N -1.34 -1.14 3.57 2.17 0.00 -0.23 -4.39 105.19 103.83 3gqf n GLY 82 Ca 0.20 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.47 5.73 0.00 1.61 1.01 -0.95 -1.21 116.67 120.38 3gqf s ASP 83 Ca 0.29 0.42 0.15 0.00 0.71 0.00 0.00 52.55 54.12 3gqf s ASP 83 Cb 0.19 -2.54 0.38 0.00 1.01 0.00 0.00 42.92 41.96 3gqf s ASP 83 CO 0.40 -2.00 1.30 0.18 0.21 0.00 0.00 175.17 175.26 3gqf n LEU 84 N 11.04 3.14 0.00 1.23 4.77 -1.12 -4.13 117.00 131.92 3gqf n LEU 84 Ca 0.17 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 3gqf n LEU 84 Cb 0.50 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3gqf n LEU 84 CO 0.71 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 3gqf n GLY 85 N 0.89 0.84 3.51 -0.72 0.00 -1.17 -4.82 105.19 103.73 3gqf n GLY 85 Ca 0.15 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 3.92 0.25 1.61 0.01 -1.26 -0.97 114.94 114.50 3gqf s ASN 86 Ca 0.00 -0.73 0.11 0.00 -0.71 0.00 0.00 52.86 51.53 3gqf s ASN 86 Cb 0.00 -0.52 -0.05 0.00 0.41 0.00 0.00 41.25 41.09 3gqf s ASN 86 CO 0.00 0.09 -0.17 0.68 -1.51 0.00 0.00 177.10 176.19 3gqf s VAL 87 N -1.83 2.66 -0.20 1.60 -7.23 -0.40 -4.93 120.40 110.08 3gqf s VAL 87 Ca 0.24 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3gqf s VAL 87 Cb -0.08 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.51 3gqf s VAL 87 CO 0.14 -0.31 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.57 3gqf s THR 88 N -2.24 2.36 -0.00 5.32 2.01 -1.26 -0.86 115.64 120.97 3gqf s THR 88 Ca 0.28 -0.91 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 3gqf s THR 88 Cb -0.06 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3gqf s THR 88 CO 0.15 0.46 0.69 0.00 -0.69 0.00 0.00 174.62 175.22 3gqf s ALA 89 N 1.31 3.40 1.03 7.40 0.00 0.48 -4.17 121.76 131.20 3gqf s ALA 89 Ca 0.04 0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 3gqf s ALA 89 Cb -0.14 -2.90 0.13 0.00 0.00 0.00 0.00 23.12 20.21 3gqf s ALA 89 CO -0.10 0.05 0.68 -0.40 0.00 0.00 0.00 175.76 175.99 3gqf n ASP 90 N 3.07 -0.28 -0.37 0.00 5.68 -0.26 -1.53 116.55 122.86 3gqf n ASP 90 Ca -0.04 -1.17 0.01 0.00 -0.50 0.00 0.00 54.79 53.09 3gqf n ASP 90 Cb 0.51 -0.54 0.15 0.00 -1.14 0.00 0.00 41.12 40.10 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 1.19 0.00 0.11 3.11 -1.97 -0.12 116.57 118.89 3gqf h LYS 91 Ca -0.23 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 3gqf h LYS 91 Cb 0.64 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 3gqf h LYS 91 CO 0.16 0.79 0.00 -0.40 -2.81 0.00 0.00 179.45 177.18 3gqf n ASP 92 N -4.47 0.00 0.00 4.20 5.68 -1.26 -4.77 116.55 115.93 3gqf n ASP 92 Ca 0.14 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 3gqf n ASP 92 Cb 0.12 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 3gqf n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gqf n GLY 93 N 0.66 0.78 3.52 6.12 0.00 -0.06 -4.73 105.19 111.48 3gqf n GLY 93 Ca 0.10 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 4.39 -0.34 1.61 1.01 -1.26 -1.87 120.40 121.94 3gqf s VAL 94 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 3gqf s VAL 94 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3gqf s VAL 94 CO 0.00 0.41 0.27 0.00 0.00 0.00 0.00 175.10 175.78 3gqf s ALA 95 N 0.99 3.50 -0.89 5.51 0.00 0.56 -1.10 121.76 130.33 3gqf s ALA 95 Ca 0.03 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 3gqf s ALA 95 Cb -0.14 -2.71 0.15 0.00 0.00 0.00 0.00 23.12 20.42 3gqf s ALA 95 CO 0.03 -1.01 1.03 -0.51 0.00 0.00 0.00 175.76 175.30 3gqf s ASP 96 N 1.72 6.63 0.20 0.00 1.11 -1.26 -1.53 116.67 123.54 3gqf s ASP 96 Ca 0.07 -2.13 -0.30 0.00 0.18 0.00 0.00 52.55 50.37 3gqf s ASP 96 Cb -0.17 -2.36 -0.09 0.00 1.07 0.00 0.00 42.92 41.37 3gqf s ASP 96 CO 0.11 -0.97 1.33 -0.69 1.18 0.00 0.00 175.17 176.13 3gqf s VAL 97 N 2.19 3.14 -0.27 -1.27 1.01 0.10 -4.90 120.40 120.40 3gqf s VAL 97 Ca 0.28 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 3gqf s VAL 97 Cb -0.07 -3.60 0.16 0.00 0.00 0.00 0.00 36.38 32.87 3gqf s VAL 97 CO -0.08 0.14 0.45 -0.55 0.00 0.00 0.00 175.10 175.05 3gqf s SER 98 N 0.38 -0.25 0.05 3.32 0.15 -1.25 -2.17 113.70 113.94 3gqf s SER 98 Ca 0.57 0.30 0.02 0.00 0.70 0.00 0.00 55.95 57.55 3gqf s SER 98 Cb -0.37 1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 65.34 3gqf s SER 98 CO 0.38 -0.30 -0.07 -0.63 1.20 0.00 0.00 173.24 173.82 3gqf s ILE 99 N 2.64 0.54 -0.09 6.45 1.01 0.18 -5.01 121.20 126.92 3gqf s ILE 99 Ca 0.14 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3gqf s ILE 99 Cb -0.15 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.54 3gqf s ILE 99 CO -0.20 -0.49 -0.08 -0.70 0.00 0.00 0.00 174.94 173.48 3gqf s GLU 100 N -2.04 1.40 0.01 2.79 2.12 -1.26 -1.16 118.70 120.56 3gqf s GLU 100 Ca -0.06 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.06 3gqf s GLU 100 Cb -0.07 -1.40 -0.01 0.00 0.26 0.00 0.00 34.13 32.91 3gqf s GLU 100 CO -0.01 -0.18 -0.08 0.34 -0.54 0.00 0.00 175.26 174.79 3gqf s ASP 101 N 1.41 0.93 0.00 -1.70 2.15 -0.55 -4.95 116.67 113.96 3gqf s ASP 101 Ca -0.01 -0.22 0.06 0.00 0.43 0.00 0.00 52.55 52.81 3gqf s ASP 101 Cb -0.13 -0.08 0.04 0.00 -0.30 0.00 0.00 42.92 42.45 3gqf s ASP 101 CO -0.04 0.04 0.67 -1.20 -0.17 0.00 0.00 175.17 174.47 3gqf n SER 102 N 2.61 1.43 0.06 -0.34 7.64 -1.26 0.12 113.62 123.89 3gqf n SER 102 Ca -0.15 -1.22 -0.23 0.00 1.01 0.00 0.00 58.87 58.29 3gqf n SER 102 Cb 0.57 0.05 -0.15 0.00 -1.01 0.00 0.00 64.21 63.67 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 1.11 0.86 -4.07 0.44 2.07 -1.92 -3.46 116.25 111.29 3gqf h VAL 103 Ca 0.00 -2.47 -0.48 0.00 0.82 0.00 0.00 66.70 64.57 3gqf h VAL 103 Cb 0.24 2.70 0.04 0.00 -1.52 0.00 0.00 31.29 32.75 3gqf h VAL 103 CO 0.00 0.87 0.40 0.27 0.02 0.00 0.00 177.57 179.13 3gqf s ILE 104 N -2.57 3.63 0.15 4.57 -4.36 -1.26 -4.88 121.20 116.48 3gqf s ILE 104 Ca -0.17 1.03 0.02 0.00 -0.26 0.00 0.00 60.65 61.27 3gqf s ILE 104 Cb 0.06 -3.43 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 3gqf s ILE 104 CO 0.84 -0.20 -0.02 -0.55 0.24 0.00 0.00 174.94 175.25 3gqf s SER 105 N -1.89 1.21 -0.01 4.36 0.15 -0.53 -4.60 113.70 112.39 3gqf s SER 105 Ca 0.68 -1.13 0.22 0.00 0.70 0.00 0.00 55.95 56.42 3gqf s SER 105 Cb -0.19 0.11 0.64 0.00 -1.71 0.00 0.00 66.02 64.88 3gqf s SER 105 CO 0.22 -0.54 1.54 0.18 1.20 0.00 0.00 173.24 175.84 3gqf n LEU 106 N -0.19 3.94 -3.89 3.45 4.77 -1.26 -1.84 117.00 121.97 3gqf n LEU 106 Ca -0.08 -1.97 -0.10 0.00 -0.03 0.00 0.00 56.01 53.83 3gqf n LEU 106 Cb 0.63 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3gqf n LEU 106 CO 0.33 0.95 0.40 -0.94 -1.33 0.00 0.00 177.39 176.80 3gqf s SER 107 N -0.99 0.12 0.54 -1.43 1.04 -1.26 -4.86 113.70 106.86 3gqf s SER 107 Ca 0.48 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3gqf s SER 107 Cb 0.26 0.76 0.00 0.00 0.10 0.00 0.00 66.02 67.14 3gqf s SER 107 CO 0.32 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.66 3gqf n GLY 108 N -0.51 0.26 0.07 7.32 0.00 -1.26 -3.69 105.19 107.39 3gqf n GLY 108 Ca -0.05 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 6.92 0.00 -0.95 1.61 5.19 -2.01 -3.15 116.42 124.03 3gqf h ASP 109 Ca 0.00 -0.19 -0.46 0.00 -0.62 0.00 0.00 57.03 55.76 3gqf h ASP 109 Cb 0.00 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 39.23 3gqf h ASP 109 CO 0.00 0.09 0.59 1.41 -3.12 0.00 0.00 179.24 178.21 3gqf n HIS 110 N -2.24 2.97 -2.32 4.55 8.25 -1.26 -4.94 115.22 120.23 3gqf n HIS 110 Ca 0.02 -1.73 -0.42 0.00 -0.26 0.00 0.00 57.72 55.33 3gqf n HIS 110 Cb 0.47 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 30.64 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 3.20 0.00 -1.86 0.00 -5.35 -0.76 -4.94 119.36 109.65 3gqf n ILE 112 Ca 0.07 -0.41 -0.41 0.00 -0.27 0.00 0.00 62.75 61.73 3gqf n ILE 112 Cb 0.44 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.49 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 -1.39 2.25 0.00 7.28 1.01 -1.26 -1.88 121.20 127.20 3gqf s ILE 113 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.97 3gqf s ILE 113 Cb 0.10 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3gqf s ILE 113 CO 0.26 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3gqf n GLY 114 N 1.91 0.51 3.87 6.18 0.00 0.91 -4.98 105.19 113.58 3gqf n GLY 114 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.21 2.33 -0.18 1.61 0.52 -0.79 -2.18 118.95 120.05 3gqf s ARG 115 Ca 0.00 -1.85 -0.07 0.00 -0.52 0.00 0.00 55.73 53.29 3gqf s ARG 115 Cb 0.00 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3gqf s ARG 115 CO 0.00 -0.42 0.05 0.99 0.02 0.00 0.00 175.30 175.94 3gqf s THR 116 N -2.66 4.64 -0.07 0.02 2.01 -1.16 0.04 115.64 118.45 3gqf s THR 116 Ca 0.39 -0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.17 3gqf s THR 116 Cb -0.01 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 3gqf s THR 116 CO 0.23 0.46 0.35 -0.22 -0.69 0.00 0.00 174.62 174.75 3gqf s LEU 117 N 0.45 4.38 0.01 4.42 2.96 -0.21 -0.11 118.68 130.59 3gqf s LEU 117 Ca 0.02 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 3gqf s LEU 117 Cb -0.13 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3gqf s LEU 117 CO 0.01 0.24 -0.07 0.54 -1.32 0.00 0.00 176.35 175.75 3gqf s VAL 118 N -0.48 0.53 -0.04 1.68 0.11 0.19 -1.94 120.40 120.45 3gqf s VAL 118 Ca 0.21 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 3gqf s VAL 118 Cb -0.15 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3gqf s VAL 118 CO 0.09 -0.02 -0.11 0.54 -3.33 0.00 0.00 175.10 172.27 3gqf s VAL 119 N -0.54 3.38 0.35 2.04 0.11 -0.43 -1.76 120.40 123.55 3gqf s VAL 119 Ca -0.01 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 58.45 3gqf s VAL 119 Cb -0.05 -2.37 -0.04 0.00 -1.53 0.00 0.00 36.38 32.39 3gqf s VAL 119 CO 0.00 0.55 0.18 -1.00 -3.33 0.00 0.00 175.10 171.50 3gqf s HIS 120 N -0.81 2.71 0.22 1.54 3.76 0.01 -0.67 115.29 122.05 3gqf s HIS 120 Ca 0.13 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.56 3gqf s HIS 120 Cb -0.11 -1.73 0.29 0.00 1.11 0.00 0.00 32.58 32.14 3gqf s HIS 120 CO 0.02 0.27 1.82 1.49 -0.85 0.00 0.00 174.74 177.49 3gqf h GLU 121 N 1.46 0.75 0.00 1.40 4.81 -0.51 -3.38 114.58 119.12 3gqf h GLU 121 Ca -0.43 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 3gqf h GLU 121 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3gqf h GLU 121 CO 0.63 0.50 -0.04 0.36 -0.73 0.00 0.00 179.01 179.72 3gqf n LYS 122 N -4.74 0.04 -1.91 1.92 2.85 -0.67 -4.92 118.16 110.74 3gqf n LYS 122 Ca 0.10 -0.33 -0.41 0.00 -1.05 0.00 0.00 58.31 56.63 3gqf n LYS 122 Cb 0.19 0.27 -0.01 0.00 -0.65 0.00 0.00 35.03 34.84 3gqf n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gqf s ALA 123 N -2.11 3.54 -0.07 0.58 0.00 -1.16 -0.80 121.76 121.75 3gqf s ALA 123 Ca 0.04 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 3gqf s ALA 123 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3gqf s ALA 123 CO 0.03 -0.92 1.51 0.34 0.00 0.00 0.00 175.76 176.72 3gqf s ASP 124 N -0.27 6.77 0.00 0.00 -1.08 -1.26 -4.02 116.67 116.81 3gqf s ASP 124 Ca 0.52 2.09 0.15 0.00 -0.52 0.00 0.00 52.55 54.78 3gqf s ASP 124 Cb -0.44 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.18 3gqf s ASP 124 CO 0.60 -0.84 1.48 -0.90 0.52 0.00 0.00 175.17 176.02 3gqf n ASP 125 N 6.59 0.66 -1.81 -0.34 5.68 0.35 -4.89 116.55 122.80 3gqf n ASP 125 Ca 0.16 -1.68 -0.18 0.00 -0.50 0.00 0.00 54.79 52.58 3gqf n ASP 125 Cb 0.43 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.28 -1.62 0.00 -2.12 4.77 -1.26 -1.92 117.00 114.56 3gqf n LEU 126 Ca 0.12 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3gqf n LEU 126 Cb 0.15 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.61 3gqf n LEU 126 CO 0.09 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 3gqf n GLY 127 N -0.88 0.69 0.77 -0.72 0.00 -1.25 -3.80 105.19 100.01 3gqf n GLY 127 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.56 2.75 0.00 1.61 5.02 -0.81 -4.58 118.16 119.60 3gqf n LYS 128 Ca 0.00 -2.72 0.13 0.00 -2.02 0.00 0.00 58.31 53.70 3gqf n LYS 128 Cb 0.00 -1.74 0.40 0.00 -0.02 0.00 0.00 35.03 33.67 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 -0.51 -1.05 2.16 0.72 0.00 -1.26 -4.96 105.19 100.29 3gqf n GLY 129 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 1.42 0.10 3.27 -0.02 0.00 -1.26 -5.00 105.19 103.70 3gqf n GLY 130 Ca 0.09 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.66 0.47 0.16 1.61 2.20 -1.26 -5.06 114.94 110.41 3gqf s ASN 131 Ca 0.00 -1.42 -0.11 0.00 -0.94 0.00 0.00 52.86 50.39 3gqf s ASN 131 Cb 0.00 0.45 0.04 0.00 -2.00 0.00 0.00 41.25 39.74 3gqf s ASN 131 CO 0.00 -0.94 1.63 -0.08 -2.94 0.00 0.00 177.10 174.77 3gqf h GLU 132 N 2.46 0.94 -0.54 3.55 4.81 -2.00 -2.70 114.58 121.09 3gqf h GLU 132 Ca -0.32 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.61 3gqf h GLU 132 Cb 1.25 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 3gqf h GLU 132 CO 0.47 0.93 0.25 0.93 -0.73 0.00 0.00 179.01 180.85 3gqf h GLU 133 N 0.82 0.76 -0.10 1.92 4.39 -1.99 -2.15 114.58 118.24 3gqf h GLU 133 Ca 0.16 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.79 3gqf h GLU 133 Cb 0.48 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3gqf h GLU 133 CO 0.02 0.60 -0.06 1.03 -1.16 0.00 0.00 179.01 179.44 3gqf h SER 134 N 0.76 -0.20 -0.80 1.42 0.87 -1.80 0.17 113.55 113.97 3gqf h SER 134 Ca 0.19 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3gqf h SER 134 Cb 0.10 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 3gqf h SER 134 CO -0.02 -0.09 0.53 0.74 -0.53 0.00 0.00 176.83 177.46 3gqf h THR 135 N -0.06 1.15 0.11 2.23 2.02 -1.27 -0.72 112.91 116.37 3gqf h THR 135 Ca 0.06 -0.35 -0.22 0.00 0.77 0.00 0.00 66.41 66.68 3gqf h THR 135 Cb 0.15 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3gqf h THR 135 CO -0.14 0.18 -1.07 0.11 0.37 0.00 0.00 175.52 174.98 3gqf h LYS 136 N 1.01 0.23 0.00 6.66 1.57 -1.06 -3.17 116.57 121.81 3gqf h LYS 136 Ca 0.31 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3gqf h LYS 136 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3gqf h LYS 136 CO -0.09 1.19 0.00 0.25 -0.57 0.00 0.00 179.45 180.23 3gqf n THR 137 N -4.08 0.00 -0.93 -0.16 -2.24 0.54 -4.57 114.28 102.83 3gqf n THR 137 Ca -0.20 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3gqf n THR 137 Cb 0.83 1.65 0.00 0.00 -2.10 0.00 0.00 70.33 70.71 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 0.03 0.57 3.72 3.38 0.00 -0.28 -4.44 105.19 108.17 3gqf n GLY 138 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3gqf n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gqf n ASN 139 N 0.00 -3.20 -1.02 1.61 4.05 -1.15 -0.50 115.26 115.06 3gqf n ASN 139 Ca 0.00 -0.74 0.05 0.00 0.45 0.00 0.00 54.58 54.34 3gqf n ASN 139 Cb 0.00 -4.28 0.20 0.00 1.23 0.00 0.00 39.78 36.93 3gqf n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gqf n ALA 140 N -4.50 2.88 -0.40 5.20 0.00 -1.26 -4.75 120.51 117.69 3gqf n ALA 140 Ca -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3gqf n ALA 140 Cb 0.61 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.70 0.02 3.84 0.00 0.00 -1.26 -1.67 105.19 106.83 3gqf n GLY 141 Ca 0.14 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 3gqf n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gqf s SER 142 N -4.00 6.30 -0.23 1.61 1.04 -1.26 -4.67 113.70 112.49 3gqf s SER 142 Ca 0.00 1.55 -0.27 0.00 0.48 0.00 0.00 55.95 57.71 3gqf s SER 142 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.62 3gqf s SER 142 CO 0.00 -0.81 0.94 -0.13 0.98 0.00 0.00 173.24 174.22 3gqf s ARG 143 N -4.51 4.24 -0.12 4.02 0.52 -1.26 -0.18 118.95 121.65 3gqf s ARG 143 Ca 0.58 1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 56.94 3gqf s ARG 143 Cb -0.11 -3.63 -0.25 0.00 0.52 0.00 0.00 34.95 31.47 3gqf s ARG 143 CO 0.41 -0.55 0.34 1.28 0.02 0.00 0.00 175.30 176.80 3gqf n LEU 144 N 6.08 2.38 -3.60 2.53 4.77 0.15 -4.92 117.00 124.38 3gqf n LEU 144 Ca 0.09 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.11 3gqf n LEU 144 Cb 0.47 -0.89 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 3gqf n LEU 144 CO 0.50 0.79 0.39 0.00 -1.33 0.00 0.00 177.39 177.74 3gqf s ALA 145 N -2.56 -1.69 0.26 -1.18 0.00 -1.18 -4.04 121.76 111.37 3gqf s ALA 145 Ca -0.21 1.62 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 3gqf s ALA 145 Cb 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3gqf s ALA 145 CO 0.76 -0.34 0.40 0.00 0.00 0.00 0.00 175.76 176.58 3gqf s GLY 147 N -3.11 -0.36 0.10 0.00 0.00 -0.82 -1.18 107.32 101.96 3gqf s GLY 147 Ca 0.28 1.08 -0.27 0.00 0.00 0.00 0.00 44.72 45.82 3gqf s GLY 147 CO 0.13 0.33 0.85 0.14 0.00 0.00 0.00 173.10 174.55 3gqf s VAL 148 N -2.72 4.56 -0.18 1.40 1.01 -1.26 -1.04 120.40 122.16 3gqf s VAL 148 Ca 0.09 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 3gqf s VAL 148 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3gqf s VAL 148 CO -0.05 0.38 1.06 -0.63 0.00 0.00 0.00 175.10 175.86 3gqf s ILE 149 N -0.25 4.64 0.24 2.22 1.01 0.11 -4.52 121.20 124.65 3gqf s ILE 149 Ca 0.41 1.96 0.11 0.00 0.00 0.00 0.00 60.65 63.13 3gqf s ILE 149 Cb -0.22 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 3gqf s ILE 149 CO 0.26 -0.12 -0.14 -0.83 0.00 0.00 0.00 174.94 174.11 3gqf s GLY 150 N 1.27 1.76 0.14 6.18 0.00 0.26 -0.06 107.32 116.86 3gqf s GLY 150 Ca 0.47 -1.68 -0.31 0.00 0.00 0.00 0.00 44.72 43.19 3gqf s GLY 150 CO 0.11 -1.74 1.61 -0.42 0.00 0.00 0.00 173.10 172.66 3gqf s ILE 151 N -2.10 2.72 0.26 0.90 1.01 -1.26 -0.73 121.20 122.00 3gqf s ILE 151 Ca 0.27 0.43 0.09 0.00 0.00 0.00 0.00 60.65 61.45 3gqf s ILE 151 Cb -0.07 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3gqf s ILE 151 CO 0.15 0.02 0.01 0.00 0.00 0.00 0.00 174.94 175.12 3gqf s ALA 152 N 1.63 3.19 -2.06 9.38 0.00 -0.92 -4.78 121.76 128.20 3gqf s ALA 152 Ca 0.72 -1.63 0.32 0.00 0.00 0.00 0.00 51.96 51.36 3gqf s ALA 152 Cb -0.43 -0.82 1.80 0.00 0.00 0.00 0.00 23.12 23.68 3gqf s ALA 152 CO 0.32 0.27 2.17 0.94 0.00 0.00 0.00 175.76 179.45