#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhq s HIS 8 N 0.00 1.86 0.04 -1.77 -3.43 -1.26 -5.11 115.29 105.62 3dhq s HIS 8 Ca 0.00 -0.39 -0.12 0.00 -0.80 0.00 0.00 55.06 53.75 3dhq s HIS 8 Cb 0.00 -1.08 -0.06 0.00 -1.43 0.00 0.00 32.58 30.02 3dhq s HIS 8 CO 0.00 0.14 0.40 0.15 -2.00 0.00 0.00 174.74 173.43 3dhq s LYS 9 N -1.44 3.83 0.26 -0.38 1.02 -1.26 -4.37 119.74 117.40 3dhq s LYS 9 Ca 0.08 0.28 0.11 0.00 0.02 0.00 0.00 55.97 56.46 3dhq s LYS 9 Cb -0.09 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 3dhq s LYS 9 CO 0.03 0.62 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.73 3dhq s GLU 10 N -1.54 1.90 0.43 1.68 2.02 0.16 -4.90 118.70 118.44 3dhq s GLU 10 Ca 0.29 -1.60 -0.22 0.00 0.02 0.00 0.00 54.97 53.46 3dhq s GLU 10 Cb -0.15 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 3dhq s GLU 10 CO 0.16 0.35 1.01 -1.25 0.02 0.00 0.00 175.26 175.55 3dhq s PRO 11 N -3.45 4.10 0.00 0.39 0.04 -1.26 0.24 135.00 135.07 3dhq s PRO 11 Ca 0.29 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 3dhq s PRO 11 Cb -0.06 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 32.19 3dhq s PRO 11 CO 0.16 -0.17 0.48 0.00 0.04 0.00 0.00 177.00 177.52 3dhq s ALA 12 N -1.88 -1.22 -0.11 8.56 0.00 -0.91 -4.62 121.76 121.58 3dhq s ALA 12 Ca 0.61 0.64 0.01 0.00 0.00 0.00 0.00 51.96 53.22 3dhq s ALA 12 Cb -0.17 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3dhq s ALA 12 CO 0.21 -0.39 -0.14 0.99 0.00 0.00 0.00 175.76 176.43 3dhq s THR 13 N -1.83 2.97 -0.17 0.00 2.01 -0.80 -4.04 115.64 113.78 3dhq s THR 13 Ca -0.09 -0.70 -0.38 0.00 0.31 0.00 0.00 61.69 60.83 3dhq s THR 13 Cb -0.02 -2.22 -0.14 0.00 0.01 0.00 0.00 72.50 70.13 3dhq s THR 13 CO 0.03 0.54 1.76 -0.11 -0.69 0.00 0.00 174.62 176.15 3dhq n LEU 14 N 3.28 2.74 -0.08 4.42 7.94 -1.26 -0.44 117.00 133.61 3dhq n LEU 14 Ca -0.18 1.04 -0.06 0.00 -1.11 0.00 0.00 56.01 55.70 3dhq n LEU 14 Cb 0.53 -1.24 -0.02 0.00 0.53 0.00 0.00 43.42 43.22 3dhq n LEU 14 CO 0.29 -0.33 -0.44 -0.38 -1.11 0.00 0.00 177.39 175.42 3dhq n ILE 15 N 4.60 1.44 -3.69 1.96 5.41 -0.44 -4.81 119.36 123.82 3dhq n ILE 15 Ca 0.24 0.19 -0.12 0.00 1.00 0.00 0.00 62.75 64.07 3dhq n ILE 15 Cb 0.20 -2.38 -0.09 0.00 -0.71 0.00 0.00 39.64 36.66 3dhq n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3dhq s LYS 16 N -2.41 0.56 0.47 0.38 2.20 -0.95 -5.01 119.74 114.97 3dhq s LYS 16 Ca -0.19 0.82 -0.23 0.00 -0.36 0.00 0.00 55.97 56.01 3dhq s LYS 16 Cb 0.03 0.18 -0.07 0.00 -1.51 0.00 0.00 37.83 36.45 3dhq s LYS 16 CO 0.28 -0.11 1.18 0.00 -0.36 0.00 0.00 175.35 176.33 3dhq s ALA 17 N 0.81 2.95 0.00 3.13 0.00 -1.26 -0.04 121.76 127.35 3dhq s ALA 17 Ca -0.04 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3dhq s ALA 17 Cb -0.05 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3dhq s ALA 17 CO -0.06 -0.71 0.00 -0.89 0.00 0.00 0.00 175.76 174.10 3dhq n ILE 18 N -0.55 0.01 -2.63 0.00 5.41 -1.10 -4.83 119.36 115.67 3dhq n ILE 18 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 3dhq n ILE 18 Cb 0.48 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 3dhq n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3dhq n ASP 19 N -2.51 0.00 -0.36 4.38 5.75 -0.92 -5.01 116.55 117.88 3dhq n ASP 19 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.79 3dhq n ASP 19 Cb 0.00 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.24 3dhq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3dhq h GLY 20 N 0.00 1.46 0.00 6.12 0.00 -1.83 -3.26 103.07 105.56 3dhq h GLY 20 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3dhq h GLY 20 CO 0.00 0.36 0.00 2.09 0.00 0.00 0.00 176.54 178.99 3dhq n ASP 21 N -4.50 1.53 -4.18 0.19 5.68 -1.26 -4.72 116.55 109.29 3dhq n ASP 21 Ca 0.14 -1.74 -0.20 0.00 -0.50 0.00 0.00 54.79 52.49 3dhq n ASP 21 Cb 0.14 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.00 3dhq n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3dhq s THR 22 N -0.74 1.21 -0.01 2.12 -4.23 -1.23 -1.28 115.64 111.48 3dhq s THR 22 Ca 0.00 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 59.05 3dhq s THR 22 Cb 0.00 -1.14 0.04 0.00 1.34 0.00 0.00 72.50 72.74 3dhq s THR 22 CO 0.00 -0.14 0.43 0.54 -0.54 0.00 0.00 174.62 174.91 3dhq s VAL 23 N -1.15 0.04 -0.21 2.29 0.11 -0.64 -2.16 120.40 118.68 3dhq s VAL 23 Ca 0.00 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.61 3dhq s VAL 23 Cb -0.09 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 3dhq s VAL 23 CO 0.02 -0.19 0.11 -0.75 -3.33 0.00 0.00 175.10 170.96 3dhq s LYS 24 N -1.55 4.04 0.05 1.54 2.47 0.94 0.30 119.74 127.53 3dhq s LYS 24 Ca -0.11 -0.30 0.03 0.00 -1.56 0.00 0.00 55.97 54.03 3dhq s LYS 24 Cb -0.03 -3.39 -0.02 0.00 -1.46 0.00 0.00 37.83 32.93 3dhq s LYS 24 CO 0.04 0.17 -0.10 -0.51 0.16 0.00 0.00 175.35 175.11 3dhq s LEU 25 N 0.71 2.24 -0.35 5.43 1.43 0.80 -1.33 118.68 127.61 3dhq s LEU 25 Ca 0.06 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 3dhq s LEU 25 Cb -0.13 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.81 3dhq s LEU 25 CO 0.02 -0.14 0.72 -0.32 0.23 0.00 0.00 176.35 176.86 3dhq s MET 26 N -1.50 3.77 -0.10 1.70 -2.45 0.42 -0.45 119.30 120.69 3dhq s MET 26 Ca -0.06 0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.62 3dhq s MET 26 Cb -0.09 -3.79 0.03 0.00 1.25 0.00 0.00 34.83 32.23 3dhq s MET 26 CO 0.01 -0.76 -0.01 -0.47 1.05 0.00 0.00 175.02 174.84 3dhq s TYR 27 N 2.90 0.85 -1.58 4.11 5.04 0.16 -1.91 117.35 126.93 3dhq s TYR 27 Ca 0.29 -0.36 -0.13 0.00 -2.44 0.00 0.00 57.07 54.43 3dhq s TYR 27 Cb -0.14 -0.90 0.10 0.00 0.35 0.00 0.00 41.96 41.37 3dhq s TYR 27 CO 0.15 -0.40 0.78 1.63 -1.34 0.00 0.00 175.55 176.37 3dhq n LYS 28 N 5.10 -4.01 -0.22 4.97 5.02 -1.26 -1.94 118.16 125.82 3dhq n LYS 28 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 3dhq n LYS 28 Cb 0.50 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 3dhq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dhq n GLY 29 N -1.61 1.95 3.42 0.72 0.00 -1.26 -5.02 105.19 103.38 3dhq n GLY 29 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3dhq n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhq s GLN 30 N -0.22 2.74 0.30 1.61 -1.52 -0.82 -5.08 119.66 116.67 3dhq s GLN 30 Ca 0.00 -0.72 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 3dhq s GLN 30 Cb 0.00 -2.41 -0.11 0.00 -0.22 0.00 0.00 33.01 30.27 3dhq s GLN 30 CO 0.00 0.48 1.56 -1.25 -0.25 0.00 0.00 175.29 175.83 3dhq s PRO 31 N -0.37 4.14 -0.09 2.91 0.04 -1.26 -0.67 135.00 139.71 3dhq s PRO 31 Ca 0.04 2.55 -0.13 0.00 0.04 0.00 0.00 61.00 63.49 3dhq s PRO 31 Cb -0.12 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.42 3dhq s PRO 31 CO 0.02 -0.59 0.33 1.41 0.04 0.00 0.00 177.00 178.21 3dhq s MET 32 N -0.74 0.49 -0.12 4.56 1.75 0.41 -4.92 119.30 120.73 3dhq s MET 32 Ca 0.61 0.23 -0.25 0.00 -1.25 0.00 0.00 55.69 55.03 3dhq s MET 32 Cb -0.47 0.23 -0.02 0.00 2.84 0.00 0.00 34.83 37.41 3dhq s MET 32 CO 0.50 -0.10 0.79 0.99 -0.65 0.00 0.00 175.02 176.55 3dhq s THR 33 N -0.37 4.95 -0.10 10.11 2.01 -1.26 -0.14 115.64 130.83 3dhq s THR 33 Ca -0.05 1.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.52 3dhq s THR 33 Cb -0.03 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 3dhq s THR 33 CO 0.02 0.12 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.67 3dhq s PHE 34 N 1.56 3.02 -0.14 4.92 0.08 0.15 -1.21 117.98 126.36 3dhq s PHE 34 Ca 0.39 -0.04 -0.03 0.00 0.12 0.00 0.00 56.93 57.37 3dhq s PHE 34 Cb -0.17 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3dhq s PHE 34 CO 0.16 0.24 -0.05 0.50 -0.10 0.00 0.00 175.22 175.97 3dhq s ARG 35 N -0.43 3.52 0.12 0.44 6.06 -0.27 -1.62 118.95 126.78 3dhq s ARG 35 Ca 0.07 -0.54 -0.31 0.00 -2.50 0.00 0.00 55.73 52.46 3dhq s ARG 35 Cb -0.12 -2.84 -0.07 0.00 0.06 0.00 0.00 34.95 31.97 3dhq s ARG 35 CO 0.02 0.30 1.30 -0.51 -2.50 0.00 0.00 175.30 173.91 3dhq s LEU 36 N 0.18 4.39 0.41 -0.88 1.43 -0.41 -2.29 118.68 121.51 3dhq s LEU 36 Ca -0.03 2.24 -0.25 0.00 -1.03 0.00 0.00 54.13 55.06 3dhq s LEU 36 Cb -0.14 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 3dhq s LEU 36 CO 0.03 -0.54 1.21 -0.76 0.23 0.00 0.00 176.35 176.52 3dhq s LEU 37 N 0.70 4.18 0.00 1.79 1.43 -0.54 -4.05 118.68 122.19 3dhq s LEU 37 Ca 0.60 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 56.14 3dhq s LEU 37 Cb -0.34 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 41.87 3dhq s LEU 37 CO 0.32 -0.76 0.00 0.18 0.23 0.00 0.00 176.35 176.32 3dhq n LEU 38 N 0.03 0.40 -4.26 1.79 4.77 -1.25 -4.89 117.00 113.59 3dhq n LEU 38 Ca 0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 3dhq n LEU 38 Cb 0.46 -0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 3dhq n LEU 38 CO 0.52 -0.23 -0.45 0.68 -1.33 0.00 0.00 177.39 176.57 3dhq s VAL 39 N -2.62 1.43 -0.19 4.08 -7.23 -1.22 -0.99 120.40 113.66 3dhq s VAL 39 Ca 0.00 -1.78 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 3dhq s VAL 39 Cb 0.00 -1.62 0.07 0.00 0.56 0.00 0.00 36.38 35.39 3dhq s VAL 39 CO 0.00 -0.42 0.11 -0.62 -0.31 0.00 0.00 175.10 173.87 3dhq s ASP 40 N -2.55 2.33 0.64 4.85 2.15 0.42 -4.71 116.67 119.79 3dhq s ASP 40 Ca 0.11 -0.63 -0.11 0.00 0.43 0.00 0.00 52.55 52.35 3dhq s ASP 40 Cb -0.05 -0.16 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 3dhq s ASP 40 CO 0.04 -0.36 1.04 0.42 -0.17 0.00 0.00 175.17 176.14 3dhq s THR 41 N 2.16 4.49 0.54 1.71 -4.23 -1.26 -1.89 115.64 117.16 3dhq s THR 41 Ca 0.04 0.81 -0.21 0.00 -1.18 0.00 0.00 61.69 61.14 3dhq s THR 41 Cb -0.16 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 3dhq s THR 41 CO -0.13 -1.06 1.29 -2.84 -0.54 0.00 0.00 174.62 171.35 3dhq s PRO 42 N -5.18 3.20 0.82 3.99 0.02 -1.26 -4.95 135.00 131.65 3dhq s PRO 42 Ca 0.56 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.53 3dhq s PRO 42 Cb -0.11 -2.21 0.09 0.00 0.02 0.00 0.00 34.50 32.29 3dhq s PRO 42 CO 0.54 -1.09 1.13 -1.21 -0.33 0.00 0.00 177.00 176.05 3dhq s GLU 43 N -2.96 1.71 0.48 5.54 0.41 -1.26 -4.52 118.70 118.09 3dhq s GLU 43 Ca 0.72 1.44 0.15 0.00 -0.41 0.00 0.00 54.97 56.87 3dhq s GLU 43 Cb -0.36 -1.81 1.15 0.00 -1.78 0.00 0.00 34.13 31.32 3dhq s GLU 43 CO 0.42 -2.10 2.05 0.35 -0.49 0.00 0.00 175.26 175.50 3dhq h PHE 50 N -1.29 0.22 -0.00 1.61 3.57 -1.96 0.68 116.94 119.79 3dhq h PHE 50 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3dhq h PHE 50 Cb 1.26 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3dhq h PHE 50 CO 0.53 0.12 -0.02 0.27 -2.23 0.00 0.00 178.31 176.98 3dhq n ASN 51 N -4.48 0.13 -5.01 0.41 0.23 -1.26 -3.80 115.26 101.49 3dhq n ASN 51 Ca 0.04 -0.59 -0.17 0.00 -0.53 0.00 0.00 54.58 53.33 3dhq n ASN 51 Cb 0.27 -0.13 0.01 0.00 -2.08 0.00 0.00 39.78 37.85 3dhq n ASN 51 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3dhq s GLU 52 N -2.31 2.79 0.07 -3.83 2.02 0.23 -5.03 118.70 112.64 3dhq s GLU 52 Ca 0.36 -1.24 -0.31 0.00 0.02 0.00 0.00 54.97 53.80 3dhq s GLU 52 Cb 0.21 -2.74 -0.07 0.00 0.10 0.00 0.00 34.13 31.62 3dhq s GLU 52 CO 0.42 -0.32 1.45 0.21 0.02 0.00 0.00 175.26 177.04 3dhq s LYS 53 N -4.38 4.28 0.00 1.61 2.47 -1.26 -2.02 119.74 120.43 3dhq s LYS 53 Ca 0.55 2.09 0.00 0.00 -1.56 0.00 0.00 55.97 57.06 3dhq s LYS 53 Cb -0.10 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 3dhq s LYS 53 CO 0.34 -0.55 0.00 0.66 0.16 0.00 0.00 175.35 175.96 3dhq n TYR 54 N 4.77 0.00 0.42 4.03 4.01 -1.26 -4.80 117.16 124.33 3dhq n TYR 54 Ca 0.13 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.69 3dhq n TYR 54 Cb 0.42 -0.36 -0.09 0.00 -0.31 0.00 0.00 39.34 39.01 3dhq n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3dhq h GLY 55 N 0.00 -1.12 0.52 2.72 0.00 -1.53 0.93 103.07 104.59 3dhq h GLY 55 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 47.33 47.85 3dhq h GLY 55 CO 0.00 -0.41 0.54 -2.55 0.00 0.00 0.00 176.54 174.13 3dhq h PRO 56 N -1.20 0.87 -0.44 4.80 0.11 -1.76 -0.35 132.00 134.03 3dhq h PRO 56 Ca -0.11 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 3dhq h PRO 56 Cb 0.84 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 3dhq h PRO 56 CO 0.18 0.58 0.09 0.93 -0.21 0.00 0.00 178.00 179.57 3dhq h GLU 57 N 0.90 0.72 0.22 1.05 3.07 -1.94 0.98 114.58 119.57 3dhq h GLU 57 Ca 0.44 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3dhq h GLU 57 Cb 0.40 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3dhq h GLU 57 CO -0.25 0.73 -0.23 0.00 -1.40 0.00 0.00 179.01 177.86 3dhq h ALA 58 N 0.96 -0.46 -0.19 3.43 0.00 -0.24 -0.18 119.26 122.57 3dhq h ALA 58 Ca 0.14 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3dhq h ALA 58 Cb 0.35 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 3dhq h ALA 58 CO 0.00 -0.79 -0.18 0.77 0.00 0.00 0.00 179.25 179.05 3dhq h SER 59 N -0.49 -0.58 -0.35 0.00 0.02 -1.01 -1.20 113.55 109.94 3dhq h SER 59 Ca -0.00 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 61.13 3dhq h SER 59 Cb 0.46 0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.21 3dhq h SER 59 CO -0.06 -0.23 -0.11 0.00 -1.14 0.00 0.00 176.83 175.29 3dhq h ALA 60 N 0.88 0.19 -0.57 3.77 0.00 -0.75 0.79 119.26 123.57 3dhq h ALA 60 Ca 0.12 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3dhq h ALA 60 Cb 0.38 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3dhq h ALA 60 CO -0.31 -0.49 0.29 0.35 0.00 0.00 0.00 179.25 179.10 3dhq h PHE 61 N -0.04 0.53 -0.18 0.00 3.57 -0.60 -1.39 116.94 118.82 3dhq h PHE 61 Ca 0.17 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.50 3dhq h PHE 61 Cb 0.30 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3dhq h PHE 61 CO -0.34 0.25 -0.66 1.15 -2.23 0.00 0.00 178.31 176.48 3dhq h THR 62 N 0.55 1.30 0.12 4.41 2.02 -0.87 -2.30 112.91 118.15 3dhq h THR 62 Ca 0.26 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.54 3dhq h THR 62 Cb 0.18 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3dhq h THR 62 CO -0.18 0.60 -0.13 0.50 0.37 0.00 0.00 175.52 176.68 3dhq h LYS 63 N 0.50 -0.27 -0.74 6.66 3.64 -0.65 -0.82 116.57 124.89 3dhq h LYS 63 Ca -0.02 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3dhq h LYS 63 Cb 1.25 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.08 3dhq h LYS 63 CO 0.13 -0.18 0.46 -0.22 -2.27 0.00 0.00 179.45 177.37 3dhq h LYS 64 N -0.28 0.87 -0.12 1.90 3.64 -1.28 -0.20 116.57 121.09 3dhq h LYS 64 Ca 0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3dhq h LYS 64 Cb 0.27 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3dhq h LYS 64 CO -0.04 0.57 0.03 1.98 -2.27 0.00 0.00 179.45 179.72 3dhq h MET 65 N 0.89 0.19 0.01 1.90 4.05 -1.06 0.17 114.93 121.08 3dhq h MET 65 Ca 0.30 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.43 3dhq h MET 65 Cb 0.04 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 30.83 3dhq h MET 65 CO -0.12 0.36 -0.99 -0.39 0.23 0.00 0.00 176.91 176.00 3dhq h VAL 66 N -0.01 1.37 -0.18 -5.77 -1.51 -1.09 -3.13 116.25 105.93 3dhq h VAL 66 Ca 0.04 -2.41 -0.06 0.00 -1.23 0.00 0.00 66.70 63.03 3dhq h VAL 66 Cb 0.26 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.84 3dhq h VAL 66 CO 0.00 0.73 -0.14 -0.33 -1.23 0.00 0.00 177.57 176.60 3dhq h GLU 67 N 0.27 0.41 0.00 5.19 5.08 -1.01 -3.12 114.58 121.40 3dhq h GLU 67 Ca -0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3dhq h GLU 67 Cb 1.63 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3dhq h GLU 67 CO 0.18 0.75 0.00 0.09 -1.00 0.00 0.00 179.01 179.03 3dhq n ASN 68 N -4.53 0.00 -4.80 1.42 5.03 0.57 -4.82 115.26 108.12 3dhq n ASN 68 Ca -0.05 0.39 -0.38 0.00 0.87 0.00 0.00 54.58 55.40 3dhq n ASN 68 Cb 0.36 -0.44 -0.06 0.00 -1.02 0.00 0.00 39.78 38.62 3dhq n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dhq s ALA 69 N -2.88 3.53 -0.03 5.41 0.00 -1.18 -4.97 121.76 121.64 3dhq s ALA 69 Ca 0.08 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.09 3dhq s ALA 69 Cb 0.09 -2.75 -0.30 0.00 0.00 0.00 0.00 23.12 20.15 3dhq s ALA 69 CO 0.23 0.36 0.75 -0.22 0.00 0.00 0.00 175.76 176.88 3dhq h LYS 70 N 4.30 0.37 -4.50 0.00 3.64 -1.88 -3.45 116.57 115.06 3dhq h LYS 70 Ca -0.49 -0.64 -0.58 0.00 -1.27 0.00 0.00 60.65 57.67 3dhq h LYS 70 Cb 1.21 0.24 -0.36 0.00 -0.41 0.00 0.00 32.23 32.90 3dhq h LYS 70 CO 0.64 1.28 -0.82 0.21 -2.27 0.00 0.00 179.45 178.50 3dhq s LYS 71 N -2.59 1.99 -0.12 1.90 2.20 -1.26 -5.03 119.74 116.84 3dhq s LYS 71 Ca -0.13 -0.54 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3dhq s LYS 71 Cb 0.06 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 3dhq s LYS 71 CO 0.86 -0.30 0.06 0.42 -0.36 0.00 0.00 175.35 176.04 3dhq s ILE 72 N 1.54 4.83 0.08 5.43 1.01 -1.26 -0.05 121.20 132.77 3dhq s ILE 72 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3dhq s ILE 72 Cb -0.14 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 3dhq s ILE 72 CO -0.09 0.58 -0.13 -1.61 0.00 0.00 0.00 174.94 173.69 3dhq s GLU 73 N -0.69 0.84 0.11 2.79 2.02 -0.52 -2.14 118.70 121.10 3dhq s GLU 73 Ca 0.12 -1.03 0.10 0.00 0.02 0.00 0.00 54.97 54.18 3dhq s GLU 73 Cb -0.12 -0.73 -0.04 0.00 0.10 0.00 0.00 34.13 33.34 3dhq s GLU 73 CO 0.02 0.15 -0.26 0.14 0.02 0.00 0.00 175.26 175.33 3dhq s VAL 74 N -1.69 2.16 -0.19 2.63 -7.23 0.14 -1.10 120.40 115.12 3dhq s VAL 74 Ca 0.01 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 3dhq s VAL 74 Cb -0.08 -1.90 0.08 0.00 0.56 0.00 0.00 36.38 35.04 3dhq s VAL 74 CO 0.02 0.13 0.15 -0.70 -0.31 0.00 0.00 175.10 174.39 3dhq s GLU 75 N -1.86 0.13 0.75 4.82 2.12 -0.49 0.40 118.70 124.56 3dhq s GLU 75 Ca 0.12 0.05 -0.11 0.00 0.36 0.00 0.00 54.97 55.39 3dhq s GLU 75 Cb -0.10 -1.52 0.04 0.00 0.26 0.00 0.00 34.13 32.81 3dhq s GLU 75 CO 0.05 -0.67 1.13 -0.59 -0.54 0.00 0.00 175.26 174.64 3dhq s PHE 76 N 2.23 3.14 0.00 5.30 -0.12 -1.26 -0.94 117.98 126.33 3dhq s PHE 76 Ca 0.04 0.89 0.00 0.00 -0.05 0.00 0.00 56.93 57.81 3dhq s PHE 76 Cb -0.16 -3.26 0.00 0.00 -0.63 0.00 0.00 43.02 38.97 3dhq s PHE 76 CO -0.11 -1.45 0.00 -3.47 -0.05 0.00 0.00 175.22 170.14 3dhq n ASP 77 N -3.13 0.47 0.15 1.98 -0.08 -1.26 -4.68 116.55 109.99 3dhq n ASP 77 Ca 0.07 -0.33 0.12 0.00 -1.51 0.00 0.00 54.79 53.15 3dhq n ASP 77 Cb 0.59 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.28 3dhq n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dhq h LYS 78 N 0.00 0.00 0.00 -0.67 1.79 -1.90 -3.46 116.57 112.33 3dhq h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dhq h LYS 78 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3dhq h LYS 78 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 3dhq n GLY 79 N 1.21 3.09 3.60 3.86 0.00 -1.25 -5.00 105.19 110.71 3dhq n GLY 79 Ca 0.04 -1.75 -0.51 0.00 0.00 0.00 0.00 46.02 43.80 3dhq n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dhq n GLN 80 N 0.00 1.31 -0.06 1.61 7.27 -1.26 -4.90 117.38 121.35 3dhq n GLN 80 Ca 0.00 0.47 -0.02 0.00 0.07 0.00 0.00 57.00 57.52 3dhq n GLN 80 Cb 0.00 -2.14 -0.16 0.00 2.41 0.00 0.00 30.24 30.36 3dhq n GLN 80 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3dhq n ARG 81 N 2.71 0.67 -3.86 3.69 1.74 -1.26 -4.74 116.66 115.62 3dhq n ARG 81 Ca 0.18 -0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 3dhq n ARG 81 Cb 0.21 -1.54 -0.17 0.00 -1.02 0.00 0.00 32.46 29.93 3dhq n ARG 81 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3dhq s THR 82 N -2.86 0.47 0.76 0.55 2.01 -1.26 -0.04 115.64 115.27 3dhq s THR 82 Ca -0.09 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 3dhq s THR 82 Cb 0.09 -0.59 0.11 0.00 0.01 0.00 0.00 72.50 72.12 3dhq s THR 82 CO 0.86 0.26 1.06 1.51 -0.69 0.00 0.00 174.62 177.62 3dhq s ASP 83 N 1.74 4.34 0.20 3.53 1.47 -0.22 -4.87 116.67 122.87 3dhq s ASP 83 Ca 0.02 0.16 0.20 0.00 1.18 0.00 0.00 52.55 54.11 3dhq s ASP 83 Cb -0.13 -0.61 0.88 0.00 -0.34 0.00 0.00 42.92 42.72 3dhq s ASP 83 CO -0.05 -1.90 1.61 2.29 0.68 0.00 0.00 175.17 177.81 3dhq n LYS 84 N -3.05 0.13 -0.76 2.11 2.85 -1.26 0.47 118.16 118.65 3dhq n LYS 84 Ca 0.12 0.42 0.08 0.00 -1.05 0.00 0.00 58.31 57.88 3dhq n LYS 84 Cb 0.60 -1.79 0.38 0.00 -0.65 0.00 0.00 35.03 33.58 3dhq n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dhq n TYR 85 N -2.04 1.80 -1.05 5.58 4.01 -1.26 -4.93 117.16 119.27 3dhq n TYR 85 Ca 0.02 -0.66 -0.02 0.00 -0.16 0.00 0.00 57.90 57.08 3dhq n TYR 85 Cb 0.17 -0.38 -0.01 0.00 -0.31 0.00 0.00 39.34 38.82 3dhq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dhq n GLY 86 N 0.89 0.53 3.79 2.72 0.00 0.18 -5.02 105.19 108.27 3dhq n GLY 86 Ca 0.27 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 3dhq n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhq s ARG 87 N -1.49 3.98 -0.09 1.61 0.52 -1.22 -4.75 118.95 117.51 3dhq s ARG 87 Ca 0.00 0.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 3dhq s ARG 87 Cb 0.00 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 3dhq s ARG 87 CO 0.00 0.47 1.62 0.20 0.02 0.00 0.00 175.30 177.61 3dhq s GLY 88 N -0.21 1.48 -0.35 -3.53 0.00 -0.35 -1.05 107.32 103.31 3dhq s GLY 88 Ca 0.16 0.82 -0.24 0.00 0.00 0.00 0.00 44.72 45.47 3dhq s GLY 88 CO 0.05 3.00 0.81 1.08 0.00 0.00 0.00 173.10 178.04 3dhq s LEU 89 N 4.23 4.10 0.03 0.66 1.43 0.94 -1.11 118.68 128.96 3dhq s LEU 89 Ca 0.72 0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 54.21 3dhq s LEU 89 Cb -0.31 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.83 3dhq s LEU 89 CO 0.28 -0.72 0.16 -0.13 0.23 0.00 0.00 176.35 176.17 3dhq s ARG 90 N 3.12 0.60 0.07 1.70 1.81 -0.97 -4.56 118.95 120.72 3dhq s ARG 90 Ca 0.33 -0.57 -0.27 0.00 -1.72 0.00 0.00 55.73 53.50 3dhq s ARG 90 Cb -0.13 0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.56 3dhq s ARG 90 CO 0.16 -0.16 0.86 0.71 -0.68 0.00 0.00 175.30 176.19 3dhq s TYR 91 N -2.15 3.77 -0.03 -0.53 2.02 -0.11 -1.47 117.35 118.85 3dhq s TYR 91 Ca -0.09 1.63 0.08 0.00 -0.37 0.00 0.00 57.07 58.32 3dhq s TYR 91 Cb -0.03 -2.94 -0.02 0.00 -0.40 0.00 0.00 41.96 38.57 3dhq s TYR 91 CO -0.02 0.23 -0.26 0.42 -1.57 0.00 0.00 175.55 174.36 3dhq s ILE 92 N 0.01 2.08 -0.08 2.71 1.01 -1.26 -1.40 121.20 124.28 3dhq s ILE 92 Ca 0.43 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 60.03 3dhq s ILE 92 Cb -0.22 -1.72 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 3dhq s ILE 92 CO 0.26 0.58 -0.23 -0.31 0.00 0.00 0.00 174.94 175.24 3dhq s TYR 93 N -0.56 2.39 -0.34 3.97 2.02 -0.26 -0.90 117.35 123.67 3dhq s TYR 93 Ca 0.08 -0.84 0.02 0.00 -0.37 0.00 0.00 57.07 55.96 3dhq s TYR 93 Cb -0.10 -1.59 0.09 0.00 -0.40 0.00 0.00 41.96 39.96 3dhq s TYR 93 CO -0.00 -0.31 0.06 0.00 -1.57 0.00 0.00 175.55 173.73 3dhq s ALA 94 N 0.12 2.91 -1.50 3.71 0.00 0.94 -1.44 121.76 126.50 3dhq s ALA 94 Ca -0.11 -2.37 -0.07 0.00 0.00 0.00 0.00 51.96 49.41 3dhq s ALA 94 Cb -0.16 -2.03 0.06 0.00 0.00 0.00 0.00 23.12 20.99 3dhq s ALA 94 CO 0.06 -1.62 0.64 -0.25 0.00 0.00 0.00 175.76 174.59 3dhq n ASP 95 N 4.39 -1.94 0.00 0.00 8.00 0.92 -2.72 116.55 125.20 3dhq n ASP 95 Ca -0.01 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3dhq n ASP 95 Cb 0.42 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.31 3dhq n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dhq n GLY 96 N -1.74 2.10 3.63 0.44 0.00 -1.26 -4.99 105.19 103.37 3dhq n GLY 96 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3dhq n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhq s LYS 97 N -0.33 4.11 -0.16 1.61 -0.14 -1.10 -5.01 119.74 118.72 3dhq s LYS 97 Ca 0.00 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 54.75 3dhq s LYS 97 Cb 0.00 -3.63 -0.03 0.00 -1.68 0.00 0.00 37.83 32.49 3dhq s LYS 97 CO 0.00 -0.33 1.57 1.41 -0.76 0.00 0.00 175.35 177.24 3dhq s MET 98 N 2.23 3.98 0.18 1.68 1.75 -1.26 -0.04 119.30 127.82 3dhq s MET 98 Ca 0.24 1.82 -0.13 0.00 -1.25 0.00 0.00 55.69 56.37 3dhq s MET 98 Cb -0.16 -3.98 0.14 0.00 2.84 0.00 0.00 34.83 33.68 3dhq s MET 98 CO 0.09 -1.07 1.80 0.28 -0.65 0.00 0.00 175.02 175.47 3dhq h VAL 99 N 5.88 1.00 -0.01 10.11 2.07 -1.39 -1.46 116.25 132.44 3dhq h VAL 99 Ca -0.34 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.01 3dhq h VAL 99 Cb 1.15 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3dhq h VAL 99 CO 0.98 0.11 -0.40 0.78 0.02 0.00 0.00 177.57 179.06 3dhq h ASN 100 N 0.58 -1.23 -1.00 0.57 4.21 -1.92 -0.58 115.58 116.22 3dhq h ASN 100 Ca 0.23 0.15 0.05 0.00 1.21 0.00 0.00 56.30 57.94 3dhq h ASN 100 Cb 0.10 0.48 -0.06 0.00 -1.12 0.00 0.00 38.32 37.72 3dhq h ASN 100 CO -0.14 -0.44 0.65 -0.08 -1.29 0.00 0.00 177.43 176.13 3dhq h GLU 101 N -0.55 1.20 -0.11 0.81 4.81 -1.90 -2.84 114.58 116.00 3dhq h GLU 101 Ca 0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3dhq h GLU 101 Cb 0.64 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3dhq h GLU 101 CO -0.32 0.79 -0.00 0.00 -0.73 0.00 0.00 179.01 178.75 3dhq h ALA 102 N 1.43 0.15 -0.43 2.92 0.00 -0.37 0.90 119.26 123.86 3dhq h ALA 102 Ca 0.41 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3dhq h ALA 102 Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3dhq h ALA 102 CO -0.14 -0.16 0.13 -0.07 0.00 0.00 0.00 179.25 179.02 3dhq h LEU 103 N -0.08 0.11 -0.45 0.00 3.38 -1.12 -1.15 115.31 116.00 3dhq h LEU 103 Ca 0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3dhq h LEU 103 Cb 0.37 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3dhq h LEU 103 CO 0.01 0.10 0.24 0.58 0.09 0.00 0.00 178.44 179.45 3dhq h VAL 104 N 0.28 1.17 -0.81 1.22 2.07 -1.24 0.44 116.25 119.39 3dhq h VAL 104 Ca 0.20 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3dhq h VAL 104 Cb 0.21 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3dhq h VAL 104 CO -0.22 0.18 0.54 -0.09 0.02 0.00 0.00 177.57 177.99 3dhq h ARG 105 N 0.59 0.99 -0.04 1.57 9.65 -0.47 -1.00 114.38 125.67 3dhq h ARG 105 Ca 0.16 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3dhq h ARG 105 Cb 0.07 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 3dhq h ARG 105 CO -0.02 0.65 0.00 1.04 2.80 0.00 0.00 179.97 184.44 3dhq n GLN 106 N -4.44 1.27 -1.63 0.20 1.13 -0.47 -4.34 117.38 109.10 3dhq n GLN 106 Ca 0.10 -0.40 -0.11 0.00 -1.94 0.00 0.00 57.00 54.66 3dhq n GLN 106 Cb 0.10 -1.40 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 3dhq n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dhq n GLY 107 N 0.99 0.76 0.68 1.08 0.00 -0.38 -4.32 105.19 104.00 3dhq n GLY 107 Ca 0.18 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.81 3dhq n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dhq n LEU 108 N -1.35 2.39 -3.93 0.99 4.77 0.11 -1.83 117.00 118.16 3dhq n LEU 108 Ca -0.12 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.88 3dhq n LEU 108 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3dhq n LEU 108 CO 0.16 0.42 -0.25 0.00 -1.33 0.00 0.00 177.39 176.39 3dhq s ALA 109 N -2.08 -0.08 0.03 -1.18 0.00 -1.06 -4.40 121.76 112.98 3dhq s ALA 109 Ca 0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 3dhq s ALA 109 Cb 0.18 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 3dhq s ALA 109 CO 0.40 -0.23 0.27 0.15 0.00 0.00 0.00 175.76 176.35 3dhq s LYS 110 N -1.87 3.56 0.15 0.00 1.02 -0.79 -4.33 119.74 117.47 3dhq s LYS 110 Ca -0.11 -0.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.42 3dhq s LYS 110 Cb -0.06 -3.05 -0.10 0.00 -0.52 0.00 0.00 37.83 34.11 3dhq s LYS 110 CO -0.01 0.62 1.54 0.08 -0.92 0.00 0.00 175.35 176.66 3dhq s VAL 111 N -1.37 2.77 0.14 3.17 1.01 -1.26 -0.44 120.40 124.42 3dhq s VAL 111 Ca 0.30 0.54 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 3dhq s VAL 111 Cb -0.13 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.97 3dhq s VAL 111 CO 0.19 0.04 0.79 0.00 0.00 0.00 0.00 175.10 176.12 3dhq s ALA 112 N 1.21 -1.60 -1.36 5.51 0.00 -0.16 -4.86 121.76 120.50 3dhq s ALA 112 Ca 0.69 0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.98 3dhq s ALA 112 Cb -0.42 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3dhq s ALA 112 CO 0.31 -0.86 0.45 0.66 0.00 0.00 0.00 175.76 176.32 3dhq n TYR 113 N -0.38 -1.62 -3.06 0.00 4.02 -1.26 -3.37 117.16 111.49 3dhq n TYR 113 Ca -0.09 0.62 -0.44 0.00 -0.01 0.00 0.00 57.90 57.97 3dhq n TYR 113 Cb 0.62 -3.49 -0.05 0.00 -0.02 0.00 0.00 39.34 36.40 3dhq n TYR 113 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3dhq s VAL 114 N -3.89 4.71 -0.04 -0.72 -7.23 -1.26 -4.32 120.40 107.65 3dhq s VAL 114 Ca 0.13 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.66 3dhq s VAL 114 Cb -0.05 -4.47 -0.04 0.00 0.56 0.00 0.00 36.38 32.38 3dhq s VAL 114 CO 0.90 -1.09 0.03 -0.31 -0.31 0.00 0.00 175.10 174.33 3dhq s TYR 115 N 3.01 3.20 0.02 2.82 2.02 -1.26 -5.05 117.35 122.12 3dhq s TYR 115 Ca 0.16 0.19 -0.25 0.00 -0.37 0.00 0.00 57.07 56.80 3dhq s TYR 115 Cb -0.20 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 3dhq s TYR 115 CO 0.10 0.51 0.75 0.15 -1.57 0.00 0.00 175.55 175.48 3dhq s LYS 116 N -1.29 4.47 -0.60 -0.62 3.01 -1.26 -0.34 119.74 123.11 3dhq s LYS 116 Ca 0.17 1.02 0.04 0.00 -1.01 0.00 0.00 55.97 56.20 3dhq s LYS 116 Cb -0.12 -3.38 0.36 0.00 -1.01 0.00 0.00 37.83 33.69 3dhq s LYS 116 CO 0.07 0.25 1.14 0.41 0.51 0.00 0.00 175.35 177.74 3dhq n GLY 117 N 2.51 5.78 1.24 -3.33 0.00 -1.26 -5.03 105.19 105.09 3dhq n GLY 117 Ca -0.02 -2.75 -0.06 0.00 0.00 0.00 0.00 46.02 43.19 3dhq n GLY 117 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dhq n ASN 118 N -0.31 2.67 -0.94 1.61 5.15 0.53 -3.83 115.26 120.14 3dhq n ASN 118 Ca 0.36 -3.80 0.05 0.00 -0.60 0.00 0.00 54.58 50.59 3dhq n ASN 118 Cb 0.44 -0.63 0.12 0.00 -0.53 0.00 0.00 39.78 39.18 3dhq n ASN 118 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3dhq n ASN 119 N -1.11 1.40 -0.36 1.20 6.94 -1.23 -4.80 115.26 117.30 3dhq n ASN 119 Ca 0.35 -3.05 0.30 0.00 -0.02 0.00 0.00 54.58 52.16 3dhq n ASN 119 Cb 1.02 -0.42 0.51 0.00 -2.36 0.00 0.00 39.78 38.53 3dhq n ASN 119 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3dhq n THR 120 N -0.45 -0.19 -0.12 5.53 -1.04 -1.26 -0.78 114.28 115.98 3dhq n THR 120 Ca 0.13 1.35 0.06 0.00 -2.04 0.00 0.00 64.05 63.55 3dhq n THR 120 Cb 0.87 -2.21 0.15 0.00 -1.82 0.00 0.00 70.33 67.31 3dhq n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3dhq n HIS 121 N -4.18 0.43 -0.16 -1.42 8.25 -1.26 -4.63 115.22 112.24 3dhq n HIS 121 Ca 0.30 -0.45 -0.05 0.00 -0.26 0.00 0.00 57.72 57.26 3dhq n HIS 121 Cb 1.18 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 32.31 3dhq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3dhq h GLU 122 N 2.09 0.52 -0.44 -0.41 4.81 -1.35 -2.43 114.58 117.37 3dhq h GLU 122 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3dhq h GLU 122 Cb 0.71 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3dhq h GLU 122 CO 0.00 0.35 0.01 0.37 -0.73 0.00 0.00 179.01 179.01 3dhq h GLN 123 N 0.54 0.71 -0.11 1.92 4.15 -1.82 0.41 115.11 120.92 3dhq h GLN 123 Ca 0.21 -0.17 -0.16 0.00 0.77 0.00 0.00 58.65 59.30 3dhq h GLN 123 Cb 0.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3dhq h GLN 123 CO -0.12 0.71 -0.61 1.25 -1.93 0.00 0.00 178.83 178.13 3dhq h LEU 124 N 0.67 0.42 -0.02 -2.39 5.85 -1.81 -0.71 115.31 117.32 3dhq h LEU 124 Ca 0.14 -0.24 -0.25 0.00 0.84 0.00 0.00 57.88 58.36 3dhq h LEU 124 Cb 0.40 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.31 3dhq h LEU 124 CO 0.01 0.93 -1.10 -0.07 -0.34 0.00 0.00 178.44 177.87 3dhq h LEU 125 N 0.27 0.53 -0.65 2.25 3.38 -0.97 -2.39 115.31 117.73 3dhq h LEU 125 Ca -0.01 -0.49 -0.14 0.00 0.09 0.00 0.00 57.88 57.33 3dhq h LEU 125 Cb 1.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3dhq h LEU 125 CO 0.10 1.32 -0.53 0.03 0.09 0.00 0.00 178.44 179.45 3dhq h ARG 126 N 0.17 0.39 -0.93 1.13 3.08 -0.92 -0.36 114.38 116.94 3dhq h ARG 126 Ca -0.12 -0.24 0.09 0.00 0.07 0.00 0.00 59.98 59.79 3dhq h ARG 126 Cb 1.78 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.78 3dhq h ARG 126 CO 0.19 0.82 0.57 -0.22 -1.07 0.00 0.00 179.97 180.26 3dhq h LYS 127 N 0.30 0.93 -0.05 0.04 3.64 -1.10 -1.05 116.57 119.28 3dhq h LYS 127 Ca 0.01 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 3dhq h LYS 127 Cb 1.03 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3dhq h LYS 127 CO 0.09 0.62 -0.67 0.00 -2.27 0.00 0.00 179.45 177.22 3dhq h ALA 128 N 1.48 0.77 0.04 5.00 0.00 -0.82 -3.09 119.26 122.65 3dhq h ALA 128 Ca 0.44 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 3dhq h ALA 128 Cb 0.35 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3dhq h ALA 128 CO -0.23 0.78 -0.79 1.49 0.00 0.00 0.00 179.25 180.50 3dhq h GLU 129 N 0.16 0.46 -0.76 0.00 4.81 -0.76 -2.04 114.58 116.44 3dhq h GLU 129 Ca -0.01 -0.55 0.09 0.00 -0.13 0.00 0.00 59.36 58.75 3dhq h GLU 129 Cb 1.20 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.64 3dhq h GLU 129 CO 0.10 1.20 -0.52 0.00 -0.73 0.00 0.00 179.01 179.07 3dhq h ALA 130 N 0.28 -0.44 -0.60 2.92 0.00 -1.26 0.25 119.26 120.41 3dhq h ALA 130 Ca -0.11 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3dhq h ALA 130 Cb 1.51 1.17 -0.04 0.00 0.00 0.00 0.00 17.79 20.43 3dhq h ALA 130 CO 0.15 -0.90 0.37 0.37 0.00 0.00 0.00 179.25 179.24 3dhq h GLN 131 N -0.15 0.72 -0.83 0.00 5.75 -1.50 0.52 115.11 119.63 3dhq h GLN 131 Ca 0.17 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 3dhq h GLN 131 Cb 0.52 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 3dhq h GLN 131 CO -0.81 0.48 0.37 0.00 -2.65 0.00 0.00 178.83 176.22 3dhq h ALA 132 N 1.26 1.09 0.05 3.38 0.00 -0.82 -1.56 119.26 122.66 3dhq h ALA 132 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dhq h ALA 132 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3dhq h ALA 132 CO -0.09 0.67 -0.03 -0.22 0.00 0.00 0.00 179.25 179.58 3dhq h LYS 133 N 1.19 -0.07 -0.97 0.00 3.64 -0.21 -1.41 116.57 118.74 3dhq h LYS 133 Ca 0.28 0.00 0.30 0.00 -1.27 0.00 0.00 60.65 59.97 3dhq h LYS 133 Cb 0.16 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 31.84 3dhq h LYS 133 CO -0.03 0.27 0.46 -0.22 -2.27 0.00 0.00 179.45 177.66 3dhq h LYS 134 N -0.41 0.26 -0.00 1.90 3.64 -0.84 0.11 116.57 121.23 3dhq h LYS 134 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3dhq h LYS 134 Cb 0.37 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3dhq h LYS 134 CO 0.01 0.17 -0.11 0.39 -2.27 0.00 0.00 179.45 177.65 3dhq n GLU 135 N -5.12 0.59 -3.47 1.90 1.02 -0.59 -4.92 120.64 110.04 3dhq n GLU 135 Ca 0.29 -0.18 -0.25 0.00 -0.02 0.00 0.00 57.16 56.99 3dhq n GLU 135 Cb 0.91 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.86 3dhq n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dhq n LYS 136 N -1.05 -4.94 -2.55 3.49 4.76 0.40 -4.94 118.16 113.33 3dhq n LYS 136 Ca 0.14 0.67 -0.41 0.00 -2.87 0.00 0.00 58.31 55.84 3dhq n LYS 136 Cb 0.28 -5.52 -0.04 0.00 -1.84 0.00 0.00 35.03 27.91 3dhq n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dhq s LEU 137 N -6.88 4.49 0.00 -0.35 1.43 -0.58 -3.99 118.68 112.79 3dhq s LEU 137 Ca 0.48 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 3dhq s LEU 137 Cb -0.23 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.38 3dhq s LEU 137 CO 0.59 -0.19 0.00 0.59 0.23 0.00 0.00 176.35 177.57 3dhq n ASN 138 N 2.45 0.00 0.22 2.29 3.02 -1.26 -0.35 115.26 121.63 3dhq n ASN 138 Ca 0.03 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.72 3dhq n ASN 138 Cb 0.47 0.00 0.51 0.00 -0.61 0.00 0.00 39.78 40.14 3dhq n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3dhq h ILE 139 N 0.00 0.00 -0.44 2.41 3.07 -1.67 -1.73 117.51 119.16 3dhq h ILE 139 Ca 0.00 -0.56 -0.20 0.00 1.55 0.00 0.00 64.86 65.66 3dhq h ILE 139 Cb 0.00 1.50 -0.12 0.00 -0.27 0.00 0.00 36.82 37.93 3dhq h ILE 139 CO 0.00 0.00 0.25 0.79 -1.05 0.00 0.00 178.15 178.14 3dhq n TRP 140 N -2.83 1.39 -0.99 0.16 7.02 0.52 -5.15 117.44 117.57 3dhq n TRP 140 Ca 0.02 -0.99 0.00 0.00 -1.02 0.00 0.00 57.50 55.52 3dhq n TRP 140 Cb 0.35 -0.53 0.00 0.00 -2.42 0.00 0.00 31.31 28.71 3dhq n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10