#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dhf s ASN 5 N 0.00 1.57 -0.03 -1.43 0.01 0.08 -2.43 114.94 112.72 1dhf s ASN 5 Ca 0.00 -0.40 0.07 0.00 -0.71 0.00 0.00 52.86 51.82 1dhf s ASN 5 Cb 0.00 -0.11 -0.02 0.00 0.41 0.00 0.00 41.25 41.52 1dhf s ASN 5 CO 0.00 0.05 -0.23 0.00 -1.51 0.00 0.00 177.10 175.42 1dhf s ILE 7 N -0.65 0.16 0.05 0.00 2.07 -1.03 -0.39 121.20 121.41 1dhf s ILE 7 Ca 0.10 -0.66 -0.27 0.00 -1.41 0.00 0.00 60.65 58.41 1dhf s ILE 7 Cb -0.10 -0.25 0.09 0.00 0.13 0.00 0.00 42.46 42.33 1dhf s ILE 7 CO -0.00 -0.32 0.82 0.54 -1.91 0.00 0.00 174.94 174.06 1dhf s VAL 8 N -1.00 0.00 -0.04 4.00 0.11 -0.69 -4.60 120.40 118.17 1dhf s VAL 8 Ca -0.10 -0.06 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 1dhf s VAL 8 Cb -0.07 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1dhf s VAL 8 CO -0.01 0.00 -0.25 0.00 -3.33 0.00 0.00 175.10 171.51 1dhf s ALA 9 N -3.30 2.18 0.01 1.54 0.00 -1.26 -1.37 121.76 119.56 1dhf s ALA 9 Ca 0.05 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 1dhf s ALA 9 Cb -0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1dhf s ALA 9 CO -0.09 0.46 -0.01 0.14 0.00 0.00 0.00 175.76 176.26 1dhf s VAL 10 N -0.34 0.06 0.99 0.00 -7.23 0.06 -4.66 120.40 109.28 1dhf s VAL 10 Ca 0.02 -0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.52 1dhf s VAL 10 Cb -0.12 -0.16 0.20 0.00 0.56 0.00 0.00 36.38 36.85 1dhf s VAL 10 CO 0.02 -0.28 1.22 -0.94 -0.31 0.00 0.00 175.10 174.81 1dhf s SER 11 N -0.82 2.81 0.45 4.85 1.04 -0.10 -0.56 113.70 121.37 1dhf s SER 11 Ca -0.09 0.55 0.14 0.00 0.48 0.00 0.00 55.95 57.03 1dhf s SER 11 Cb -0.06 -0.79 1.00 0.00 0.10 0.00 0.00 66.02 66.27 1dhf s SER 11 CO -0.00 -2.95 1.99 -0.61 0.98 0.00 0.00 173.24 172.65 1dhf h GLN 12 N -1.78 0.01 -0.86 4.02 4.15 -1.30 0.73 115.11 120.09 1dhf h GLN 12 Ca -0.46 -0.00 -0.21 0.00 0.77 0.00 0.00 58.65 58.75 1dhf h GLN 12 Cb 1.28 -0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.84 1dhf h GLN 12 CO 0.45 0.19 0.27 0.27 -1.93 0.00 0.00 178.83 178.07 1dhf n ASN 13 N -4.33 4.02 -1.74 -0.69 6.94 -1.26 -4.92 115.26 113.28 1dhf n ASN 13 Ca -0.02 -2.97 -0.14 0.00 -0.02 0.00 0.00 54.58 51.43 1dhf n ASN 13 Cb 0.24 -0.70 -0.04 0.00 -2.36 0.00 0.00 39.78 36.92 1dhf n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1dhf n MET 14 N -0.19 -1.58 -2.80 -3.83 2.81 0.25 -4.95 117.12 106.83 1dhf n MET 14 Ca 0.34 0.75 -0.37 0.00 -1.81 0.00 0.00 57.70 56.61 1dhf n MET 14 Cb 1.19 -5.12 -0.06 0.00 -0.71 0.00 0.00 33.22 28.52 1dhf n MET 14 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dhf s GLY 15 N -2.11 2.81 0.00 3.03 0.00 -1.26 -0.37 107.32 109.42 1dhf s GLY 15 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1dhf s GLY 15 CO 0.00 0.95 0.35 0.29 0.00 0.00 0.00 173.10 174.69 1dhf n ILE 16 N 0.65 0.12 -3.60 0.90 -5.35 -0.29 -0.92 119.36 110.86 1dhf n ILE 16 Ca 0.01 -0.24 -0.04 0.00 -0.27 0.00 0.00 62.75 62.21 1dhf n ILE 16 Cb 0.50 1.36 -0.02 0.00 -1.74 0.00 0.00 39.64 39.74 1dhf n ILE 16 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1dhf s GLY 17 N -0.12 -0.25 -0.20 3.28 0.00 -1.22 -4.76 107.32 104.05 1dhf s GLY 17 Ca 0.00 1.77 -0.10 0.00 0.00 0.00 0.00 44.72 46.39 1dhf s GLY 17 CO 0.00 0.62 0.48 1.25 0.00 0.00 0.00 173.10 175.44 1dhf s LYS 18 N -2.20 0.44 -1.67 2.90 2.47 0.18 -2.04 119.74 119.82 1dhf s LYS 18 Ca 0.09 0.96 -0.13 0.00 -1.56 0.00 0.00 55.97 55.33 1dhf s LYS 18 Cb -0.01 0.14 0.12 0.00 -1.46 0.00 0.00 37.83 36.62 1dhf s LYS 18 CO -0.04 -0.18 0.52 0.09 0.16 0.00 0.00 175.35 175.90 1dhf n ASN 19 N 4.61 -1.58 -2.26 1.43 3.02 -1.26 0.38 115.26 119.60 1dhf n ASN 19 Ca -0.19 -1.12 -0.15 0.00 -0.03 0.00 0.00 54.58 53.09 1dhf n ASN 19 Cb 0.54 -2.29 -0.02 0.00 -0.61 0.00 0.00 39.78 37.41 1dhf n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dhf n GLY 20 N -1.64 -0.17 3.66 7.41 0.00 -1.26 -4.96 105.19 108.22 1dhf n GLY 20 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1dhf n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dhf s ASP 21 N -2.07 3.64 0.08 1.61 3.68 1.23 -4.83 116.67 120.00 1dhf s ASP 21 Ca 0.00 -1.61 -0.30 0.00 2.13 0.00 0.00 52.55 52.77 1dhf s ASP 21 Cb 0.00 0.37 -0.05 0.00 -1.45 0.00 0.00 42.92 41.79 1dhf s ASP 21 CO 0.00 -0.81 0.97 -1.48 0.13 0.00 0.00 175.17 173.98 1dhf s LEU 22 N -3.76 4.46 0.41 -1.34 0.05 -1.26 0.47 118.68 117.71 1dhf s LEU 22 Ca 0.16 1.76 0.19 0.00 0.05 0.00 0.00 54.13 56.28 1dhf s LEU 22 Cb 0.03 -3.58 0.91 0.00 -2.05 0.00 0.00 46.19 41.50 1dhf s LEU 22 CO 0.09 -0.12 1.87 1.55 -0.55 0.00 0.00 176.35 179.18 1dhf h PRO 23 N 5.93 0.00 -6.20 1.48 0.14 -1.87 -3.45 132.00 128.04 1dhf h PRO 23 Ca -0.42 0.00 -0.49 0.00 0.14 0.00 0.00 66.00 65.23 1dhf h PRO 23 Cb 1.21 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.32 1dhf h PRO 23 CO 0.73 0.30 -0.42 1.67 0.14 0.00 0.00 178.00 180.42 1dhf s TRP 24 N -4.01 2.87 0.87 1.56 -2.14 -1.26 -4.74 118.94 112.09 1dhf s TRP 24 Ca -0.02 -0.34 -0.11 0.00 2.66 0.00 0.00 56.10 58.29 1dhf s TRP 24 Cb 0.13 -1.90 0.11 0.00 -3.10 0.00 0.00 33.47 28.71 1dhf s TRP 24 CO 0.67 0.09 1.10 -2.14 -2.66 0.00 0.00 176.95 174.02 1dhf s PRO 25 N -4.04 1.45 0.06 3.25 0.02 -1.26 -4.93 135.00 129.55 1dhf s PRO 25 Ca 0.43 1.11 -0.31 0.00 0.02 0.00 0.00 61.00 62.25 1dhf s PRO 25 Cb -0.05 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.60 1dhf s PRO 25 CO 0.27 -2.19 1.20 -2.14 -0.33 0.00 0.00 177.00 173.81 1dhf s PRO 26 N -4.83 4.43 -0.43 5.54 0.02 -1.26 -4.99 135.00 133.47 1dhf s PRO 26 Ca 0.63 1.76 -0.13 0.00 0.02 0.00 0.00 61.00 63.29 1dhf s PRO 26 Cb -0.19 -3.36 0.06 0.00 0.02 0.00 0.00 34.50 31.03 1dhf s PRO 26 CO 0.57 -0.26 0.32 -0.51 -0.33 0.00 0.00 177.00 176.79 1dhf s LEU 27 N 1.10 5.29 0.16 -5.54 1.43 -1.26 -4.98 118.68 114.88 1dhf s LEU 27 Ca 0.59 -1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.15 1dhf s LEU 27 Cb -0.29 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 1dhf s LEU 27 CO 0.29 -0.55 1.57 -0.09 0.23 0.00 0.00 176.35 177.80 1dhf h ARG 28 N 8.60 -0.29 0.00 1.70 2.43 -1.99 -0.52 114.38 124.31 1dhf h ARG 28 Ca -0.26 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1dhf h ARG 28 Cb 1.10 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1dhf h ARG 28 CO 0.79 -0.20 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.93 1dhf h ASN 29 N -0.30 0.00 0.84 -3.80 2.35 -1.99 -1.20 115.58 111.48 1dhf h ASN 29 Ca 0.14 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.68 1dhf h ASN 29 Cb 0.58 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1dhf h ASN 29 CO -0.62 0.22 -1.00 -0.08 -1.65 0.00 0.00 177.43 174.31 1dhf h GLU 30 N 0.00 0.08 -0.54 0.81 4.22 -1.69 -2.81 114.58 114.65 1dhf h GLU 30 Ca -0.00 -0.12 -0.11 0.00 0.08 0.00 0.00 59.36 59.21 1dhf h GLU 30 Cb 0.72 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1dhf h GLU 30 CO 0.03 1.00 -0.08 0.74 -2.18 0.00 0.00 179.01 178.52 1dhf h PHE 31 N 0.03 1.13 0.22 0.92 0.04 -0.64 -1.32 116.94 117.31 1dhf h PHE 31 Ca -0.04 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.52 1dhf h PHE 31 Cb 1.71 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.55 1dhf h PHE 31 CO 0.02 1.04 -0.33 -0.09 -0.60 0.00 0.00 178.31 178.35 1dhf h ARG 32 N 0.89 -0.59 -0.34 1.51 9.65 -1.29 0.02 114.38 124.23 1dhf h ARG 32 Ca 0.14 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.13 1dhf h ARG 32 Cb 0.64 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.30 1dhf h ARG 32 CO 0.04 -0.39 0.00 -0.92 2.80 0.00 0.00 179.97 181.50 1dhf h TYR 33 N -0.61 -0.01 -0.64 2.20 5.03 -1.21 0.25 116.97 121.99 1dhf h TYR 33 Ca 0.01 0.03 0.08 0.00 2.58 0.00 0.00 58.73 61.42 1dhf h TYR 33 Cb 0.60 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.87 1dhf h TYR 33 CO -0.25 -0.06 0.31 0.35 -1.32 0.00 0.00 178.16 177.19 1dhf h PHE 34 N 0.10 0.55 -0.20 -3.82 3.57 -0.88 -1.06 116.94 115.21 1dhf h PHE 34 Ca 0.17 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1dhf h PHE 34 Cb 0.23 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1dhf h PHE 34 CO -0.24 0.21 0.09 0.37 -2.23 0.00 0.00 178.31 176.51 1dhf h GLN 35 N 0.55 0.19 0.94 1.11 4.15 0.02 -1.43 115.11 120.65 1dhf h GLN 35 Ca 0.31 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 1dhf h GLN 35 Cb 0.29 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.95 1dhf h GLN 35 CO -0.24 0.13 -0.45 -0.09 -1.93 0.00 0.00 178.83 176.24 1dhf h ARG 36 N 0.20 -1.22 -0.95 1.69 2.43 -0.14 -0.29 114.38 116.10 1dhf h ARG 36 Ca 0.08 0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1dhf h ARG 36 Cb 0.02 0.28 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1dhf h ARG 36 CO -0.06 -0.81 0.63 0.52 -1.51 0.00 0.00 179.97 178.73 1dhf h MET 37 N -1.34 1.21 0.00 0.20 2.86 -1.21 0.21 114.93 116.86 1dhf h MET 37 Ca -0.13 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 1dhf h MET 37 Cb 0.97 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1dhf h MET 37 CO 0.21 0.80 -0.36 1.79 1.06 0.00 0.00 176.91 180.41 1dhf h THR 38 N 1.25 0.68 0.16 2.22 1.35 -1.23 -3.35 112.91 113.99 1dhf h THR 38 Ca 0.36 -1.72 -0.35 0.00 -0.55 0.00 0.00 66.41 64.15 1dhf h THR 38 Cb -0.08 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1dhf h THR 38 CO -0.09 0.35 -1.84 0.74 -0.25 0.00 0.00 175.52 174.43 1dhf h THR 39 N 0.00 0.82 -2.63 6.82 2.02 -0.53 -3.43 112.91 115.98 1dhf h THR 39 Ca -0.00 -2.46 -0.58 0.00 0.77 0.00 0.00 66.41 64.14 1dhf h THR 39 Cb 1.12 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 1dhf h THR 39 CO 0.05 0.87 1.27 -0.89 0.37 0.00 0.00 175.52 177.18 1dhf s THR 40 N -2.57 3.47 -0.11 3.16 2.01 0.02 -4.67 115.64 116.94 1dhf s THR 40 Ca -0.18 0.49 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 1dhf s THR 40 Cb 0.06 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1dhf s THR 40 CO 0.82 -0.35 0.15 -0.55 -0.69 0.00 0.00 174.62 174.00 1dhf s SER 41 N 5.90 6.41 0.29 3.53 0.15 -1.26 -4.95 113.70 123.77 1dhf s SER 41 Ca 0.80 0.48 0.15 0.00 0.70 0.00 0.00 55.95 58.08 1dhf s SER 41 Cb -0.24 -2.07 0.32 0.00 -1.71 0.00 0.00 66.02 62.31 1dhf s SER 41 CO 0.33 0.40 1.56 0.77 1.20 0.00 0.00 173.24 177.50 1dhf h SER 42 N 4.90 0.00 -3.33 5.45 4.64 -1.95 -3.44 113.55 119.82 1dhf h SER 42 Ca -0.54 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.12 1dhf h SER 42 Cb 1.23 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.06 1dhf h SER 42 CO 0.59 0.54 -0.72 -0.69 -0.87 0.00 0.00 176.83 175.67 1dhf s VAL 43 N -3.27 3.39 0.16 0.95 1.01 -1.26 -5.09 120.40 116.29 1dhf s VAL 43 Ca 0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1dhf s VAL 43 Cb 0.10 -2.47 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 1dhf s VAL 43 CO 0.73 0.49 1.08 -1.83 0.00 0.00 0.00 175.10 175.58 1dhf s GLU 44 N 0.61 4.60 0.00 2.72 -1.05 -1.26 -2.61 118.70 121.71 1dhf s GLU 44 Ca -0.05 1.68 0.00 0.00 -0.15 0.00 0.00 54.97 56.45 1dhf s GLU 44 Cb -0.15 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.24 1dhf s GLU 44 CO 0.03 0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.73 1dhf n GLY 45 N 2.13 0.69 3.21 -3.83 0.00 -1.26 -5.06 105.19 101.08 1dhf n GLY 45 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1dhf n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dhf s LYS 46 N -0.81 1.42 0.28 1.61 1.02 -1.07 -4.81 119.74 117.37 1dhf s LYS 46 Ca 0.00 -0.80 0.10 0.00 0.02 0.00 0.00 55.97 55.30 1dhf s LYS 46 Cb 0.00 -1.44 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 1dhf s LYS 46 CO 0.00 0.38 -0.08 -0.65 -0.92 0.00 0.00 175.35 174.08 1dhf s GLN 47 N -0.82 2.03 0.30 1.68 -0.21 0.29 -4.77 119.66 118.16 1dhf s GLN 47 Ca 0.07 -1.60 -0.20 0.00 0.02 0.00 0.00 55.36 53.65 1dhf s GLN 47 Cb -0.08 -1.98 -0.09 0.00 1.00 0.00 0.00 33.01 31.86 1dhf s GLN 47 CO 0.01 0.32 0.81 -0.80 -2.12 0.00 0.00 175.29 173.50 1dhf s ASN 48 N -3.62 7.02 -0.19 5.90 0.01 -1.26 0.65 114.94 123.45 1dhf s ASN 48 Ca 0.31 1.51 -0.08 0.00 -0.71 0.00 0.00 52.86 53.89 1dhf s ASN 48 Cb -0.05 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1dhf s ASN 48 CO 0.18 -0.11 0.07 -0.22 -1.51 0.00 0.00 177.10 175.51 1dhf s LEU 49 N -2.44 3.80 -0.13 0.60 2.96 0.06 -1.29 118.68 122.23 1dhf s LEU 49 Ca 0.50 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.45 1dhf s LEU 49 Cb -0.14 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1dhf s LEU 49 CO 0.19 0.15 -0.05 0.68 -1.32 0.00 0.00 176.35 176.00 1dhf s VAL 50 N 0.51 3.79 -0.08 1.68 -7.23 0.22 -0.60 120.40 118.68 1dhf s VAL 50 Ca 0.03 -0.41 0.03 0.00 -1.81 0.00 0.00 61.98 59.82 1dhf s VAL 50 Cb -0.13 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1dhf s VAL 50 CO 0.01 0.52 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.53 1dhf s ILE 51 N 0.08 2.88 0.10 -0.62 1.01 0.53 -0.19 121.20 124.99 1dhf s ILE 51 Ca -0.01 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 1dhf s ILE 51 Cb -0.14 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.22 1dhf s ILE 51 CO 0.03 0.56 0.38 0.00 0.00 0.00 0.00 174.94 175.91 1dhf s MET 52 N -0.24 1.01 0.67 2.79 0.23 -0.51 -0.63 119.30 122.62 1dhf s MET 52 Ca 0.01 -0.65 -0.11 0.00 -1.03 0.00 0.00 55.69 53.91 1dhf s MET 52 Cb -0.13 0.44 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 1dhf s MET 52 CO 0.03 -0.38 1.05 0.20 -2.03 0.00 0.00 175.02 173.90 1dhf s GLY 53 N -2.61 1.63 0.17 3.16 0.00 -0.12 -0.79 107.32 108.76 1dhf s GLY 53 Ca 0.01 -0.34 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 1dhf s GLY 53 CO -0.10 -0.01 1.65 1.70 0.00 0.00 0.00 173.10 176.34 1dhf h LYS 54 N -0.51 -0.07 -0.44 2.90 3.64 -1.87 -1.29 116.57 118.93 1dhf h LYS 54 Ca -0.45 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1dhf h LYS 54 Cb 1.24 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1dhf h LYS 54 CO 0.63 -0.05 0.30 -0.22 -2.27 0.00 0.00 179.45 177.84 1dhf h LYS 55 N -0.07 0.30 -0.16 1.90 3.64 -1.93 -1.67 116.57 118.57 1dhf h LYS 55 Ca 0.20 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1dhf h LYS 55 Cb 0.37 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1dhf h LYS 55 CO -0.45 0.20 -0.50 1.15 -2.27 0.00 0.00 179.45 177.58 1dhf h THR 56 N 0.31 1.33 0.02 1.00 2.02 -1.61 -2.80 112.91 113.19 1dhf h THR 56 Ca 0.20 -1.76 0.03 0.00 0.77 0.00 0.00 66.41 65.64 1dhf h THR 56 Cb 0.38 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.73 1dhf h THR 56 CO -0.04 0.54 -0.45 -0.25 0.37 0.00 0.00 175.52 175.69 1dhf h TRP 57 N 0.29 -1.27 0.00 3.16 2.91 -0.45 -1.47 115.95 119.12 1dhf h TRP 57 Ca -0.02 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1dhf h TRP 57 Cb 1.12 0.56 0.00 0.00 -0.51 0.00 0.00 29.16 30.33 1dhf h TRP 57 CO 0.10 -0.52 0.00 1.19 -1.03 0.00 0.00 178.44 178.18 1dhf n PHE 58 N -5.46 0.18 0.68 2.65 3.72 -0.85 -1.80 117.46 116.59 1dhf n PHE 58 Ca -0.06 0.07 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 1dhf n PHE 58 Cb 0.38 -0.61 0.42 0.00 -0.94 0.00 0.00 39.48 38.73 1dhf n PHE 58 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1dhf n SER 59 N -1.66 0.68 -4.80 4.37 2.88 -0.56 -4.78 113.62 109.75 1dhf n SER 59 Ca 0.03 0.53 -0.38 0.00 -1.33 0.00 0.00 58.87 57.72 1dhf n SER 59 Cb 0.19 -0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 62.91 1dhf n SER 59 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1dhf s ILE 60 N -3.09 5.07 -0.17 2.46 1.01 -0.74 -5.00 121.20 120.74 1dhf s ILE 60 Ca 0.11 0.88 -0.37 0.00 0.00 0.00 0.00 60.65 61.26 1dhf s ILE 60 Cb 0.13 -3.75 -0.14 0.00 0.01 0.00 0.00 42.46 38.72 1dhf s ILE 60 CO 0.60 0.50 1.78 -2.65 0.00 0.00 0.00 174.94 175.16 1dhf n PRO 61 N 2.40 1.62 -0.38 2.79 -0.02 -1.26 -4.73 135.00 135.43 1dhf n PRO 61 Ca -0.12 0.59 0.33 0.00 -2.02 0.00 0.00 63.50 62.29 1dhf n PRO 61 Cb 0.52 -2.35 0.51 0.00 -0.02 0.00 0.00 33.50 32.16 1dhf n PRO 61 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1dhf n GLU 62 N 5.71 0.01 0.17 -0.52 2.13 -1.26 0.18 120.64 127.06 1dhf n GLU 62 Ca 0.24 0.83 0.12 0.00 0.66 0.00 0.00 57.16 59.02 1dhf n GLU 62 Cb 0.21 -2.00 0.27 0.00 0.27 0.00 0.00 31.44 30.19 1dhf n GLU 62 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1dhf h LYS 63 N 0.00 0.00 -0.28 5.31 2.10 -2.01 -3.17 116.57 118.53 1dhf h LYS 63 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 1dhf h LYS 63 Cb 2.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.02 1dhf h LYS 63 CO -0.01 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.53 1dhf n ASN 64 N -2.74 3.06 -4.57 7.07 3.02 0.49 -4.93 115.26 116.66 1dhf n ASN 64 Ca 0.05 -1.89 -0.35 0.00 -0.03 0.00 0.00 54.58 52.36 1dhf n ASN 64 Cb 0.49 -0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 39.37 1dhf n ASN 64 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dhf s ARG 65 N -1.35 3.85 0.62 3.52 0.52 -1.17 -2.69 118.95 122.24 1dhf s ARG 65 Ca 0.31 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.01 1dhf s ARG 65 Cb 0.18 -3.17 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1dhf s ARG 65 CO 0.26 0.18 1.00 -1.25 0.02 0.00 0.00 175.30 175.51 1dhf s PRO 66 N 0.61 3.38 -0.02 3.54 0.04 -1.26 -4.96 135.00 136.33 1dhf s PRO 66 Ca 0.02 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1dhf s PRO 66 Cb -0.13 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1dhf s PRO 66 CO 0.02 -0.63 1.93 -0.51 0.04 0.00 0.00 177.00 177.85 1dhf s LEU 67 N -5.14 4.29 0.29 -3.56 1.43 -1.10 -4.89 118.68 110.00 1dhf s LEU 67 Ca 0.55 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.83 1dhf s LEU 67 Cb -0.11 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.48 1dhf s LEU 67 CO 0.52 -1.14 1.49 -0.54 0.23 0.00 0.00 176.35 176.91 1dhf s LYS 68 N 4.60 4.20 -0.04 1.70 1.02 -1.26 -2.85 119.74 127.12 1dhf s LYS 68 Ca 0.87 2.43 0.00 0.00 0.02 0.00 0.00 55.97 59.29 1dhf s LYS 68 Cb -0.39 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 1dhf s LYS 68 CO 0.38 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1dhf n GLY 69 N 1.79 0.47 3.09 -3.33 0.00 -1.26 -4.96 105.19 100.98 1dhf n GLY 69 Ca 0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1dhf n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dhf s ARG 70 N -0.55 0.60 0.03 1.61 0.52 -1.13 -4.52 118.95 115.51 1dhf s ARG 70 Ca 0.00 -1.00 -0.22 0.00 -0.52 0.00 0.00 55.73 53.98 1dhf s ARG 70 Cb 0.00 -0.09 -0.06 0.00 0.52 0.00 0.00 34.95 35.32 1dhf s ARG 70 CO 0.00 -0.02 0.67 0.42 0.02 0.00 0.00 175.30 176.39 1dhf s ILE 71 N -2.60 4.80 -0.26 1.52 1.01 -0.41 -4.79 121.20 120.47 1dhf s ILE 71 Ca -0.01 1.42 -0.08 0.00 0.00 0.00 0.00 60.65 61.98 1dhf s ILE 71 Cb -0.02 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1dhf s ILE 71 CO -0.04 0.41 0.10 0.20 0.00 0.00 0.00 174.94 175.62 1dhf s ASN 72 N -0.23 5.40 -0.12 3.58 0.01 -1.26 -0.61 114.94 121.70 1dhf s ASN 72 Ca 0.34 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 52.37 1dhf s ASN 72 Cb -0.19 -1.98 0.01 0.00 0.41 0.00 0.00 41.25 39.49 1dhf s ASN 72 CO 0.20 -0.03 -0.20 -0.22 -1.51 0.00 0.00 177.10 175.33 1dhf s LEU 73 N 1.63 1.99 -0.14 0.60 0.20 0.74 -1.71 118.68 121.98 1dhf s LEU 73 Ca 0.06 -0.54 -0.06 0.00 0.69 0.00 0.00 54.13 54.28 1dhf s LEU 73 Cb -0.15 -1.33 -0.04 0.00 -0.43 0.00 0.00 46.19 44.24 1dhf s LEU 73 CO 0.06 0.07 0.06 -0.69 -0.29 0.00 0.00 176.35 175.56 1dhf s VAL 74 N 0.80 4.81 -0.28 1.68 1.01 -0.76 -1.42 120.40 126.23 1dhf s VAL 74 Ca -0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1dhf s VAL 74 Cb -0.16 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1dhf s VAL 74 CO -0.00 0.55 0.13 -0.76 0.00 0.00 0.00 175.10 175.01 1dhf s LEU 75 N -0.36 3.84 -0.15 3.92 1.43 0.03 -0.83 118.68 126.56 1dhf s LEU 75 Ca 0.09 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1dhf s LEU 75 Cb -0.12 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.17 1dhf s LEU 75 CO 0.02 -0.11 0.35 -0.55 0.23 0.00 0.00 176.35 176.29 1dhf s SER 76 N 1.64 -0.30 0.12 2.29 0.15 -0.18 -2.70 113.70 114.73 1dhf s SER 76 Ca 0.06 0.78 -0.10 0.00 0.70 0.00 0.00 55.95 57.38 1dhf s SER 76 Cb -0.16 0.76 -0.11 0.00 -1.71 0.00 0.00 66.02 64.80 1dhf s SER 76 CO 0.06 -0.20 1.33 0.03 1.20 0.00 0.00 173.24 175.66 1dhf h ARG 77 N 7.47 0.71 0.00 5.44 -0.00 -1.83 -3.39 114.38 122.78 1dhf h ARG 77 Ca -0.31 -0.58 0.00 0.00 -0.50 0.00 0.00 59.98 58.58 1dhf h ARG 77 Cb 1.16 0.12 0.00 0.00 0.00 0.00 0.00 29.97 31.25 1dhf h ARG 77 CO 0.27 1.20 0.00 0.39 0.00 0.00 0.00 179.97 181.82 1dhf n GLU 78 N -3.91 0.00 0.00 0.04 -0.58 -1.26 -4.97 120.64 109.96 1dhf n GLU 78 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1dhf n GLU 78 Cb 0.74 -0.25 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 1dhf n GLU 78 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1dhf n LEU 79 N 0.00 0.00 0.00 -4.62 4.77 -1.26 -4.91 117.00 110.98 1dhf n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1dhf n LEU 79 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1dhf n LEU 79 CO 0.00 0.00 0.12 1.17 -1.33 0.00 0.00 177.39 177.35 1dhf n LYS 80 N 0.00 0.00 -4.47 3.23 0.00 -1.26 -4.96 118.16 110.70 1dhf n LYS 80 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 58.31 58.52 1dhf n LYS 80 Cb 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 35.03 33.83 1dhf n LYS 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1dhf s GLU 81 N -1.46 2.11 0.22 1.64 -1.05 -1.26 -5.11 118.70 113.79 1dhf s GLU 81 Ca 0.00 -2.10 -0.30 0.00 -0.15 0.00 0.00 54.97 52.42 1dhf s GLU 81 Cb 0.00 -1.74 -0.09 0.00 -0.44 0.00 0.00 34.13 31.86 1dhf s GLU 81 CO 0.00 -0.18 1.22 -1.25 0.95 0.00 0.00 175.26 176.00 1dhf s PRO 82 N -3.84 4.48 0.65 -4.83 0.04 -1.26 -4.98 135.00 125.26 1dhf s PRO 82 Ca 0.30 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 1dhf s PRO 82 Cb 0.06 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1dhf s PRO 82 CO 0.16 -0.08 0.81 -2.30 0.04 0.00 0.00 177.00 175.63 1dhf n PRO 83 N 2.13 0.61 -1.68 0.56 -0.02 -1.26 -4.82 135.00 130.53 1dhf n PRO 83 Ca 0.03 0.25 -0.46 0.00 -2.02 0.00 0.00 63.50 61.30 1dhf n PRO 83 Cb 0.44 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1dhf n PRO 83 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1dhf n GLN 84 N -1.03 2.26 0.00 -0.52 7.27 -1.26 -1.71 117.38 122.38 1dhf n GLN 84 Ca 0.13 0.82 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1dhf n GLN 84 Cb 0.48 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.50 1dhf n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1dhf n GLY 85 N 3.84 3.28 3.74 1.69 0.00 -1.26 -4.92 105.19 111.56 1dhf n GLY 85 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1dhf n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dhf s ALA 86 N -2.95 2.18 -0.13 4.61 0.00 -0.69 -4.50 121.76 120.27 1dhf s ALA 86 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 1dhf s ALA 86 Cb 0.00 -3.39 -0.25 0.00 0.00 0.00 0.00 23.12 19.48 1dhf s ALA 86 CO 0.00 -1.75 0.31 0.72 0.00 0.00 0.00 175.76 175.04 1dhf n HIS 87 N -2.88 1.13 -4.13 0.00 -0.00 -0.70 -4.96 115.22 103.68 1dhf n HIS 87 Ca 0.12 0.24 -0.09 0.00 -0.00 0.00 0.00 57.72 57.99 1dhf n HIS 87 Cb 0.51 -1.15 -0.10 0.00 -0.00 0.00 0.00 29.99 29.26 1dhf n HIS 87 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1dhf s PHE 88 N -2.56 0.74 -0.02 4.41 0.40 -0.95 -5.02 117.98 114.99 1dhf s PHE 88 Ca -0.23 -1.08 0.01 0.00 -0.60 0.00 0.00 56.93 55.02 1dhf s PHE 88 Cb 0.07 -0.46 0.01 0.00 0.51 0.00 0.00 43.02 43.15 1dhf s PHE 88 CO 0.75 -0.36 -0.02 -1.17 0.70 0.00 0.00 175.22 175.12 1dhf s LEU 89 N -3.00 1.60 0.12 -0.37 2.96 -1.26 -1.83 118.68 116.89 1dhf s LEU 89 Ca 0.14 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1dhf s LEU 89 Cb 0.07 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.52 1dhf s LEU 89 CO -0.05 -0.03 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.41 1dhf s SER 90 N 0.46 1.63 0.01 3.68 0.01 -0.01 -4.96 113.70 114.53 1dhf s SER 90 Ca -0.05 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.28 1dhf s SER 90 Cb -0.08 -0.00 -0.29 0.00 0.21 0.00 0.00 66.02 65.86 1dhf s SER 90 CO -0.01 -0.28 0.90 0.03 0.41 0.00 0.00 173.24 174.30 1dhf h ARG 91 N 3.25 0.28 -4.59 12.44 2.47 -1.86 -0.45 114.38 125.93 1dhf h ARG 91 Ca -0.37 -0.49 -0.24 0.00 -1.26 0.00 0.00 59.98 57.62 1dhf h ARG 91 Cb 1.19 0.18 -0.15 0.00 -1.65 0.00 0.00 29.97 29.54 1dhf h ARG 91 CO 0.57 1.17 -0.63 -1.54 0.56 0.00 0.00 179.97 180.10 1dhf s SER 92 N -7.07 0.29 0.11 7.04 1.04 -1.26 -4.20 113.70 109.65 1dhf s SER 92 Ca -0.09 -1.35 -0.16 0.00 0.48 0.00 0.00 55.95 54.83 1dhf s SER 92 Cb 0.07 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1dhf s SER 92 CO 0.87 -0.80 1.55 0.25 0.98 0.00 0.00 173.24 176.08 1dhf h LEU 93 N 2.65 0.58 -1.10 2.42 5.85 -1.99 -1.80 115.31 121.93 1dhf h LEU 93 Ca -0.36 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.11 1dhf h LEU 93 Cb 1.24 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1dhf h LEU 93 CO 0.55 0.75 0.61 0.44 -0.34 0.00 0.00 178.44 180.45 1dhf h ASP 94 N 0.40 0.96 -0.48 1.25 5.19 -1.99 0.22 116.42 121.97 1dhf h ASP 94 Ca 0.10 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1dhf h ASP 94 Cb 0.45 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1dhf h ASP 94 CO 0.02 0.62 0.02 0.44 -3.12 0.00 0.00 179.24 177.22 1dhf h ASP 95 N 1.10 0.83 -0.23 6.45 3.32 -1.93 0.66 116.42 126.61 1dhf h ASP 95 Ca 0.40 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1dhf h ASP 95 Cb 0.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1dhf h ASP 95 CO -0.15 0.92 -0.03 0.00 -1.72 0.00 0.00 179.24 178.26 1dhf h ALA 96 N 0.93 0.32 -0.28 3.45 0.00 -0.46 0.25 119.26 123.47 1dhf h ALA 96 Ca 0.14 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1dhf h ALA 96 Cb 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1dhf h ALA 96 CO 0.02 0.08 0.12 -0.07 0.00 0.00 0.00 179.25 179.41 1dhf h LEU 97 N 0.18 0.17 -0.77 0.00 3.38 -0.53 -0.85 115.31 116.89 1dhf h LEU 97 Ca 0.06 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1dhf h LEU 97 Cb 0.47 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1dhf h LEU 97 CO 0.02 0.13 0.47 0.11 0.09 0.00 0.00 178.44 179.26 1dhf h LYS 98 N 0.26 0.85 -0.84 1.13 1.79 -0.59 0.63 116.57 119.81 1dhf h LYS 98 Ca 0.12 -0.05 0.19 0.00 -2.18 0.00 0.00 60.65 58.73 1dhf h LYS 98 Cb 0.06 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 30.46 1dhf h LYS 98 CO -0.10 0.57 0.56 1.25 -1.08 0.00 0.00 179.45 180.65 1dhf h LEU 99 N 0.88 0.36 -1.52 2.94 5.85 0.87 -2.14 115.31 122.54 1dhf h LEU 99 Ca 0.33 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1dhf h LEU 99 Cb 0.12 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1dhf h LEU 99 CO -0.15 0.16 -0.17 0.74 -0.34 0.00 0.00 178.44 178.68 1dhf h THR 100 N 0.37 0.53 -0.01 1.05 2.02 0.03 -2.66 112.91 114.24 1dhf h THR 100 Ca 0.43 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1dhf h THR 100 Cb 1.10 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1dhf h THR 100 CO -0.14 0.17 -0.23 -1.84 0.37 0.00 0.00 175.52 173.85 1dhf n GLU 101 N -3.48 1.29 -2.12 6.66 0.28 -0.81 -3.71 120.64 118.75 1dhf n GLU 101 Ca -0.01 -0.90 -0.42 0.00 -0.16 0.00 0.00 57.16 55.67 1dhf n GLU 101 Cb 0.33 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.69 1dhf n GLU 101 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1dhf s GLN 102 N -2.33 4.30 0.26 3.44 -1.52 -1.01 -4.78 119.66 118.02 1dhf s GLN 102 Ca 0.26 2.13 -0.01 0.00 -1.95 0.00 0.00 55.36 55.79 1dhf s GLN 102 Cb 0.19 -3.25 0.52 0.00 -0.22 0.00 0.00 33.01 30.26 1dhf s GLN 102 CO 0.47 -0.48 1.76 -1.35 -0.25 0.00 0.00 175.29 175.44 1dhf h PRO 103 N 6.88 0.61 -0.08 2.91 0.11 -1.89 0.97 132.00 141.51 1dhf h PRO 103 Ca -0.42 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1dhf h PRO 103 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1dhf h PRO 103 CO 0.88 0.40 -0.31 1.49 -0.21 0.00 0.00 178.00 180.25 1dhf h GLU 104 N 0.63 0.15 0.21 1.05 4.57 -1.95 -2.81 114.58 116.42 1dhf h GLU 104 Ca 0.46 -0.05 -0.35 0.00 -1.18 0.00 0.00 59.36 58.24 1dhf h GLU 104 Cb 0.64 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.23 1dhf h GLU 104 CO -0.36 0.44 -1.65 -0.07 -1.18 0.00 0.00 179.01 176.19 1dhf h LEU 105 N 0.13 0.70 -1.29 1.64 4.07 -1.22 -3.34 115.31 115.99 1dhf h LEU 105 Ca 0.02 -0.93 0.22 0.00 0.08 0.00 0.00 57.88 57.26 1dhf h LEU 105 Cb 0.61 -0.23 -0.09 0.00 1.08 0.00 0.00 40.66 42.04 1dhf h LEU 105 CO 0.04 1.76 0.63 0.00 -1.08 0.00 0.00 178.44 179.79 1dhf h ALA 106 N 0.12 2.04 -0.40 1.53 0.00 0.99 -0.11 119.26 123.42 1dhf h ALA 106 Ca -0.32 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dhf h ALA 106 Cb 2.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1dhf h ALA 106 CO 0.21 -0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.34 1dhf n ASN 107 N -4.63 2.27 -0.00 0.00 2.04 -1.07 -3.81 115.26 110.05 1dhf n ASN 107 Ca 0.23 -2.04 0.03 0.00 -0.44 0.00 0.00 54.58 52.36 1dhf n ASN 107 Cb 0.71 -0.29 -0.05 0.00 -2.53 0.00 0.00 39.78 37.62 1dhf n ASN 107 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1dhf n LYS 108 N 0.66 1.19 -4.86 -3.83 5.02 -0.07 -4.83 118.16 111.43 1dhf n LYS 108 Ca 0.14 -0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 1dhf n LYS 108 Cb 0.37 -1.09 -0.13 0.00 -0.02 0.00 0.00 35.03 34.15 1dhf n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dhf s VAL 109 N -2.31 3.05 0.00 -0.18 1.01 -1.08 0.11 120.40 120.99 1dhf s VAL 109 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1dhf s VAL 109 Cb 0.05 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1dhf s VAL 109 CO 0.29 0.57 0.00 -0.67 0.00 0.00 0.00 175.10 175.29 1dhf n ASP 110 N 2.67 0.00 -4.90 3.32 2.03 0.21 -4.82 116.55 115.06 1dhf n ASP 110 Ca -0.17 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.87 1dhf n ASP 110 Cb 0.52 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 1dhf n ASP 110 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1dhf s MET 111 N 0.00 3.26 -0.25 -0.67 -1.94 -1.26 -4.95 119.30 113.49 1dhf s MET 111 Ca 0.00 -0.69 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 1dhf s MET 111 Cb 0.00 -2.86 -0.00 0.00 2.01 0.00 0.00 34.83 33.98 1dhf s MET 111 CO 0.00 0.51 0.01 0.08 -0.01 0.00 0.00 175.02 175.61 1dhf s VAL 112 N -1.74 3.61 -0.13 -6.03 1.01 -1.26 -0.76 120.40 115.09 1dhf s VAL 112 Ca 0.33 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1dhf s VAL 112 Cb -0.11 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1dhf s VAL 112 CO 0.27 0.29 -0.06 0.26 0.00 0.00 0.00 175.10 175.86 1dhf s TRP 113 N 1.49 2.98 -0.26 5.22 0.52 0.23 -0.74 118.94 128.37 1dhf s TRP 113 Ca 0.04 -0.28 -0.10 0.00 0.02 0.00 0.00 56.10 55.79 1dhf s TRP 113 Cb -0.15 -1.89 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1dhf s TRP 113 CO -0.01 0.02 0.16 0.42 0.02 0.00 0.00 176.95 177.56 1dhf s ILE 114 N 0.10 5.08 -1.84 2.03 1.01 0.41 -0.35 121.20 127.64 1dhf s ILE 114 Ca -0.02 0.09 0.19 0.00 0.00 0.00 0.00 60.65 60.92 1dhf s ILE 114 Cb -0.14 -3.40 0.47 0.00 0.01 0.00 0.00 42.46 39.40 1dhf s ILE 114 CO 0.03 0.29 1.39 1.33 0.00 0.00 0.00 174.94 177.98 1dhf n VAL 115 N 4.87 0.79 0.00 2.92 0.24 0.20 -2.45 118.33 124.90 1dhf n VAL 115 Ca -0.15 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 1dhf n VAL 115 Cb 0.52 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 1dhf n VAL 115 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dhf n GLY 116 N 1.28 0.80 1.18 7.63 0.00 -1.26 -4.96 105.19 109.86 1dhf n GLY 116 Ca 0.19 -2.22 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 1dhf n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dhf n GLY 117 N -0.48 -1.65 0.40 -0.02 0.00 -1.26 -0.94 105.19 101.24 1dhf n GLY 117 Ca 0.00 -1.61 0.20 0.00 0.00 0.00 0.00 46.02 44.61 1dhf n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dhf h SER 118 N -0.86 0.18 0.32 1.61 4.64 -1.96 -0.22 113.55 117.26 1dhf h SER 118 Ca -0.13 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1dhf h SER 118 Cb 0.38 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1dhf h SER 118 CO 0.09 0.09 -0.15 -1.28 -0.87 0.00 0.00 176.83 174.70 1dhf h SER 119 N 0.19 -0.37 -0.09 4.97 0.87 -1.95 -2.34 113.55 114.84 1dhf h SER 119 Ca 0.36 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1dhf h SER 119 Cb 1.13 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.16 1dhf h SER 119 CO -0.07 -0.10 -0.09 0.58 -0.53 0.00 0.00 176.83 176.62 1dhf h VAL 120 N -0.63 0.75 -0.52 2.23 2.07 -1.53 -2.28 116.25 116.34 1dhf h VAL 120 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1dhf h VAL 120 Cb 0.45 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.87 1dhf h VAL 120 CO 0.07 0.00 -0.38 1.88 0.02 0.00 0.00 177.57 179.17 1dhf h TYR 121 N -0.11 -1.07 -0.30 1.57 0.05 -1.02 0.89 116.97 116.98 1dhf h TYR 121 Ca 0.06 0.07 0.07 0.00 0.05 0.00 0.00 58.73 58.98 1dhf h TYR 121 Cb 0.20 0.54 -0.07 0.00 1.01 0.00 0.00 36.73 38.42 1dhf h TYR 121 CO -0.19 -0.40 -0.18 -0.22 -1.05 0.00 0.00 178.16 176.11 1dhf h LYS 122 N -0.23 -0.15 -0.58 4.88 3.64 -1.19 0.21 116.57 123.17 1dhf h LYS 122 Ca 0.19 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1dhf h LYS 122 Cb 0.56 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1dhf h LYS 122 CO -0.64 -0.10 0.20 1.49 -2.27 0.00 0.00 179.45 178.13 1dhf h GLU 123 N -0.15 0.89 -0.14 1.90 4.81 -0.93 -2.76 114.58 118.19 1dhf h GLU 123 Ca 0.16 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1dhf h GLU 123 Cb 0.39 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1dhf h GLU 123 CO -0.39 0.79 -0.33 0.00 -0.73 0.00 0.00 179.01 178.35 1dhf h ALA 124 N 1.06 1.19 -0.83 2.92 0.00 -0.19 -2.55 119.26 120.86 1dhf h ALA 124 Ca 0.19 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1dhf h ALA 124 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1dhf h ALA 124 CO -0.01 0.54 0.40 0.52 0.00 0.00 0.00 179.25 180.69 1dhf h MET 125 N 0.24 1.19 0.00 0.00 2.86 -0.30 -2.35 114.93 116.57 1dhf h MET 125 Ca 0.03 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1dhf h MET 125 Cb 0.70 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1dhf h MET 125 CO 0.05 0.92 -0.76 -0.91 1.06 0.00 0.00 176.91 177.27 1dhf h ASN 126 N 1.18 0.00 -2.32 1.22 2.35 -1.54 -3.47 115.58 113.01 1dhf h ASN 126 Ca 0.29 -0.21 -0.62 0.00 -0.55 0.00 0.00 56.30 55.21 1dhf h ASN 126 Cb 0.12 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.57 1dhf h ASN 126 CO -0.04 0.10 0.39 1.57 -1.65 0.00 0.00 177.43 177.81 1dhf n HIS 127 N -2.18 1.64 -2.32 1.19 -0.00 -0.89 -4.86 115.22 107.80 1dhf n HIS 127 Ca 0.02 0.59 -0.34 0.00 0.46 0.00 0.00 57.72 58.45 1dhf n HIS 127 Cb 0.46 -2.35 -0.01 0.00 -0.12 0.00 0.00 29.99 27.97 1dhf n HIS 127 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1dhf s PRO 128 N -0.57 3.55 0.00 1.57 0.02 -1.26 -4.92 135.00 133.38 1dhf s PRO 128 Ca 0.69 1.36 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1dhf s PRO 128 Cb -0.75 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 31.71 1dhf s PRO 128 CO 0.52 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 1dhf n GLY 129 N -0.40 0.28 3.68 0.52 0.00 -1.26 -4.99 105.19 103.02 1dhf n GLY 129 Ca 0.10 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1dhf n GLY 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dhf s HIS 130 N -0.16 3.48 -0.07 1.61 5.65 -1.26 -4.32 115.29 120.22 1dhf s HIS 130 Ca 0.00 1.56 -0.05 0.00 0.25 0.00 0.00 55.06 56.82 1dhf s HIS 130 Cb 0.00 -3.19 0.02 0.00 -1.18 0.00 0.00 32.58 28.23 1dhf s HIS 130 CO 0.00 -0.26 0.17 -0.51 -0.65 0.00 0.00 174.74 173.48 1dhf s LEU 131 N 2.20 1.16 0.01 8.88 1.43 -0.94 -4.29 118.68 127.13 1dhf s LEU 131 Ca 0.47 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.99 1dhf s LEU 131 Cb -0.18 0.54 -0.02 0.00 0.03 0.00 0.00 46.19 46.56 1dhf s LEU 131 CO 0.16 -0.08 -0.22 -0.54 0.23 0.00 0.00 176.35 175.89 1dhf s LYS 132 N 0.40 1.62 -0.20 1.70 1.02 -1.02 -0.30 119.74 122.96 1dhf s LYS 132 Ca -0.03 -0.88 -0.02 0.00 0.02 0.00 0.00 55.97 55.06 1dhf s LYS 132 Cb -0.04 -1.66 -0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1dhf s LYS 132 CO -0.02 0.44 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.25 1dhf s LEU 133 N -0.85 2.70 -0.49 3.17 1.43 0.22 -2.20 118.68 122.65 1dhf s LEU 133 Ca 0.08 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1dhf s LEU 133 Cb -0.09 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.58 1dhf s LEU 133 CO 0.01 0.00 0.41 -0.36 0.23 0.00 0.00 176.35 176.63 1dhf s PHE 134 N 1.34 3.33 -0.20 0.29 0.40 0.48 -0.93 117.98 122.68 1dhf s PHE 134 Ca 0.04 -1.50 -0.05 0.00 -0.60 0.00 0.00 56.93 54.82 1dhf s PHE 134 Cb -0.14 -3.54 -0.02 0.00 0.51 0.00 0.00 43.02 39.83 1dhf s PHE 134 CO -0.05 -0.97 -0.01 0.08 0.70 0.00 0.00 175.22 174.97 1dhf s VAL 135 N 1.49 3.81 -0.28 -0.44 1.01 -0.31 -1.70 120.40 123.97 1dhf s VAL 135 Ca 0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1dhf s VAL 135 Cb -0.27 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1dhf s VAL 135 CO 0.02 0.43 0.21 -0.89 0.00 0.00 0.00 175.10 174.86 1dhf s THR 136 N 1.07 5.30 -0.47 3.92 2.01 -0.47 -0.49 115.64 126.51 1dhf s THR 136 Ca 0.02 0.17 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 1dhf s THR 136 Cb -0.14 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 68.86 1dhf s THR 136 CO 0.01 0.23 0.57 -0.13 -0.69 0.00 0.00 174.62 174.61 1dhf s ARG 137 N 1.78 3.14 -0.22 4.92 1.81 0.26 -0.76 118.95 129.87 1dhf s ARG 137 Ca 0.08 -0.79 -0.29 0.00 -1.72 0.00 0.00 55.73 53.01 1dhf s ARG 137 Cb -0.16 -4.04 0.00 0.00 -0.45 0.00 0.00 34.95 30.30 1dhf s ARG 137 CO 0.11 -1.09 1.10 0.42 -0.68 0.00 0.00 175.30 175.16 1dhf s ILE 138 N 2.50 4.57 0.00 1.52 1.09 0.28 -2.67 121.20 128.49 1dhf s ILE 138 Ca 0.15 1.88 -0.04 0.00 -1.10 0.00 0.00 60.65 61.54 1dhf s ILE 138 Cb -0.18 -4.24 -0.20 0.00 -1.06 0.00 0.00 42.46 36.78 1dhf s ILE 138 CO 0.13 -0.20 3.12 0.23 -0.10 0.00 0.00 174.94 178.13 1dhf n MET 139 N 6.44 1.69 -3.64 2.79 2.81 0.13 -2.92 117.12 124.43 1dhf n MET 139 Ca 0.12 -0.73 -0.11 0.00 -1.81 0.00 0.00 57.70 55.18 1dhf n MET 139 Cb 0.46 -1.75 -0.05 0.00 -0.71 0.00 0.00 33.22 31.17 1dhf n MET 139 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1dhf s GLN 140 N 0.84 1.04 0.13 0.03 0.74 -1.26 -4.79 119.66 116.39 1dhf s GLN 140 Ca 0.49 -0.65 -0.15 0.00 0.05 0.00 0.00 55.36 55.11 1dhf s GLN 140 Cb 0.23 0.46 -0.07 0.00 1.10 0.00 0.00 33.01 34.73 1dhf s GLN 140 CO 0.00 -0.40 0.54 -0.51 -0.55 0.00 0.00 175.29 174.37 1dhf s ASP 141 N -2.66 6.84 -0.04 6.67 1.01 -1.26 -2.10 116.67 125.13 1dhf s ASP 141 Ca 0.01 1.08 -0.04 0.00 0.71 0.00 0.00 52.55 54.32 1dhf s ASP 141 Cb 0.01 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.66 1dhf s ASP 141 CO -0.10 0.13 0.11 -0.36 0.21 0.00 0.00 175.17 175.15 1dhf s PHE 142 N -1.42 -0.11 0.11 4.23 0.08 -1.26 -4.97 117.98 114.64 1dhf s PHE 142 Ca 0.36 0.26 -0.31 0.00 0.12 0.00 0.00 56.93 57.37 1dhf s PHE 142 Cb -0.15 0.03 -0.11 0.00 -0.57 0.00 0.00 43.02 42.22 1dhf s PHE 142 CO 0.19 -0.07 1.85 -1.91 -0.10 0.00 0.00 175.22 175.19 1dhf n GLU 143 N 2.95 2.79 -3.93 0.44 2.13 -1.26 -4.81 120.64 118.95 1dhf n GLU 143 Ca -0.13 1.02 -0.08 0.00 0.66 0.00 0.00 57.16 58.63 1dhf n GLU 143 Cb 0.59 -2.92 -0.08 0.00 0.27 0.00 0.00 31.44 29.30 1dhf n GLU 143 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1dhf s SER 144 N 2.91 0.22 -0.02 4.31 0.01 -1.26 -4.77 113.70 115.10 1dhf s SER 144 Ca 0.83 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 57.36 1dhf s SER 144 Cb -0.48 0.31 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 1dhf s SER 144 CO 0.38 -0.70 0.06 -0.90 0.41 0.00 0.00 173.24 172.49 1dhf n ASP 145 N -0.03 3.98 -4.60 2.44 5.68 -0.86 -5.01 116.55 118.14 1dhf n ASP 145 Ca -0.14 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.83 1dhf n ASP 145 Cb 0.62 0.93 -0.10 0.00 -1.14 0.00 0.00 41.12 41.43 1dhf n ASP 145 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1dhf s THR 146 N -2.21 3.64 0.01 2.12 2.01 -1.05 -5.03 115.64 115.13 1dhf s THR 146 Ca -0.02 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1dhf s THR 146 Cb 0.02 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 1dhf s THR 146 CO 0.18 0.32 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.05 1dhf s PHE 147 N -1.07 0.19 0.19 4.92 0.40 -1.26 -1.14 117.98 120.21 1dhf s PHE 147 Ca 0.19 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.89 1dhf s PHE 147 Cb -0.11 -0.13 -0.08 0.00 0.51 0.00 0.00 43.02 43.21 1dhf s PHE 147 CO 0.10 -0.11 0.95 0.12 0.70 0.00 0.00 175.22 176.97 1dhf s PHE 148 N -0.89 3.92 1.06 0.36 5.36 0.50 -4.70 117.98 123.59 1dhf s PHE 148 Ca -0.09 1.87 -0.13 0.00 -0.96 0.00 0.00 56.93 57.62 1dhf s PHE 148 Cb -0.06 -3.01 0.19 0.00 -0.34 0.00 0.00 43.02 39.80 1dhf s PHE 148 CO -0.01 0.35 0.87 -2.30 -1.46 0.00 0.00 175.22 172.67 1dhf n PRO 149 N 2.00 -1.48 -3.52 10.12 -0.02 -1.26 -4.96 135.00 135.88 1dhf n PRO 149 Ca -0.00 -0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 60.74 1dhf n PRO 149 Cb 0.48 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1dhf n PRO 149 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1dhf s GLU 150 N -4.27 3.81 -0.13 -0.52 0.41 -1.26 -5.05 118.70 111.68 1dhf s GLU 150 Ca 0.65 0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 55.16 1dhf s GLU 150 Cb -0.23 -2.95 -0.01 0.00 -1.78 0.00 0.00 34.13 29.16 1dhf s GLU 150 CO 0.63 0.52 1.07 0.42 -0.49 0.00 0.00 175.26 177.42 1dhf s ILE 151 N -1.45 4.62 -0.48 -1.63 1.01 -1.26 -4.99 121.20 117.02 1dhf s ILE 151 Ca 0.35 1.91 -0.28 0.00 0.00 0.00 0.00 60.65 62.64 1dhf s ILE 151 Cb -0.14 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 1dhf s ILE 151 CO 0.19 -0.05 1.72 -0.62 0.00 0.00 0.00 174.94 176.18 1dhf s ASP 152 N 1.26 5.74 0.00 3.58 -1.08 -1.26 -4.80 116.67 120.10 1dhf s ASP 152 Ca 0.49 0.71 0.22 0.00 -0.52 0.00 0.00 52.55 53.46 1dhf s ASP 152 Cb -0.19 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 39.86 1dhf s ASP 152 CO 0.16 -1.94 1.71 0.18 0.52 0.00 0.00 175.17 175.80 1dhf n LEU 153 N 10.97 0.00 0.06 -1.34 7.99 -1.26 0.11 117.00 133.53 1dhf n LEU 153 Ca 0.20 0.28 0.12 0.00 -0.01 0.00 0.00 56.01 56.60 1dhf n LEU 153 Cb 0.49 -0.28 0.24 0.00 -0.11 0.00 0.00 43.42 43.77 1dhf n LEU 153 CO 0.70 -0.08 0.49 1.21 -1.51 0.00 0.00 177.39 178.21 1dhf n GLU 154 N -1.28 0.25 0.00 3.23 2.13 -1.26 -4.33 120.64 119.38 1dhf n GLU 154 Ca 0.11 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1dhf n GLU 154 Cb 0.17 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1dhf n GLU 154 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1dhf n LYS 155 N -2.06 0.00 -3.69 5.31 5.02 -0.04 -5.09 118.16 117.61 1dhf n LYS 155 Ca 0.04 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.07 1dhf n LYS 155 Cb 0.42 -0.93 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 1dhf n LYS 155 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1dhf s TYR 156 N -1.92 3.48 -0.04 2.13 2.02 0.30 -4.52 117.35 118.80 1dhf s TYR 156 Ca 0.00 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1dhf s TYR 156 Cb 0.00 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1dhf s TYR 156 CO 0.00 0.36 -0.05 0.21 -1.57 0.00 0.00 175.55 174.49 1dhf s LYS 157 N -3.52 0.91 0.08 -0.62 2.47 0.53 -4.61 119.74 114.98 1dhf s LYS 157 Ca 0.38 -0.14 -0.31 0.00 -1.56 0.00 0.00 55.97 54.35 1dhf s LYS 157 Cb -0.11 -0.88 -0.07 0.00 -1.46 0.00 0.00 37.83 35.32 1dhf s LYS 157 CO 0.30 -0.06 1.31 -1.17 0.16 0.00 0.00 175.35 175.89 1dhf s LEU 158 N 0.86 4.36 -0.30 5.43 0.20 -1.26 -1.78 118.68 126.19 1dhf s LEU 158 Ca -0.12 2.18 -0.17 0.00 0.69 0.00 0.00 54.13 56.71 1dhf s LEU 158 Cb -0.15 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.01 1dhf s LEU 158 CO 0.01 -0.59 0.45 -0.76 -0.29 0.00 0.00 176.35 175.18 1dhf s LEU 159 N 1.22 4.19 0.00 -0.68 1.43 0.16 -4.93 118.68 120.07 1dhf s LEU 159 Ca 0.62 0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.99 1dhf s LEU 159 Cb -0.33 -2.53 0.53 0.00 0.03 0.00 0.00 46.19 43.89 1dhf s LEU 159 CO 0.29 -0.33 0.98 -2.65 0.23 0.00 0.00 176.35 174.87 1dhf n PRO 160 N 5.53 0.29 -3.48 1.29 -0.02 -1.26 -4.51 135.00 132.84 1dhf n PRO 160 Ca -0.06 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.26 1dhf n PRO 160 Cb 0.50 -1.49 -0.04 0.00 -0.02 0.00 0.00 33.50 32.45 1dhf n PRO 160 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1dhf s GLU 161 N -2.00 1.14 -0.29 -0.52 2.02 -1.26 -5.04 118.70 112.74 1dhf s GLU 161 Ca 0.13 -0.03 -0.16 0.00 0.02 0.00 0.00 54.97 54.94 1dhf s GLU 161 Cb 0.06 0.53 0.14 0.00 0.10 0.00 0.00 34.13 34.97 1dhf s GLU 161 CO 0.10 -0.42 0.94 -0.47 0.02 0.00 0.00 175.26 175.44 1dhf s TYR 162 N -2.21 -0.66 0.25 1.61 5.04 -1.26 -5.03 117.35 115.08 1dhf s TYR 162 Ca -0.06 1.27 -0.30 0.00 -2.44 0.00 0.00 57.07 55.54 1dhf s TYR 162 Cb -0.00 0.40 -0.14 0.00 0.35 0.00 0.00 41.96 42.56 1dhf s TYR 162 CO 0.01 -0.33 1.19 -0.35 -1.34 0.00 0.00 175.55 174.73 1dhf n PRO 163 N 4.11 1.55 -0.08 4.97 -0.04 -1.26 -1.54 135.00 142.71 1dhf n PRO 163 Ca -0.16 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1dhf n PRO 163 Cb 0.56 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1dhf n PRO 163 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dhf n GLY 164 N 1.65 2.74 3.19 0.55 0.00 -1.26 -4.98 105.19 107.08 1dhf n GLY 164 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1dhf n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dhf s VAL 165 N -3.05 3.39 0.26 1.61 1.01 -0.59 -5.08 120.40 117.96 1dhf s VAL 165 Ca 0.00 -1.51 -0.31 0.00 0.00 0.00 0.00 61.98 60.16 1dhf s VAL 165 Cb 0.00 -3.06 -0.12 0.00 0.00 0.00 0.00 36.38 33.20 1dhf s VAL 165 CO 0.00 -0.33 1.61 0.18 0.00 0.00 0.00 175.10 176.56 1dhf n LEU 166 N 4.69 4.07 0.05 3.92 4.77 -1.26 -4.48 117.00 128.76 1dhf n LEU 166 Ca -0.10 1.12 -0.07 0.00 -0.03 0.00 0.00 56.01 56.93 1dhf n LEU 166 Cb 0.43 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 39.83 1dhf n LEU 166 CO 0.31 0.07 0.02 0.28 -1.33 0.00 0.00 177.39 176.74 1dhf h SER 167 N 5.32 0.01 -4.10 -1.43 0.02 -1.94 -3.41 113.55 108.03 1dhf h SER 167 Ca -0.46 -0.01 -0.48 0.00 -0.84 0.00 0.00 61.79 60.00 1dhf h SER 167 Cb 1.23 -0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.81 1dhf h SER 167 CO 0.84 1.01 0.40 -1.81 -1.14 0.00 0.00 176.83 176.12 1dhf s ASP 168 N -6.61 6.04 0.04 3.07 1.01 -1.26 -4.87 116.67 114.09 1dhf s ASP 168 Ca -0.00 1.99 -0.30 0.00 0.71 0.00 0.00 52.55 54.94 1dhf s ASP 168 Cb 0.10 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.39 1dhf s ASP 168 CO 0.82 -0.99 1.65 -0.69 0.21 0.00 0.00 175.17 176.17 1dhf s VAL 169 N -2.00 3.19 0.27 -1.27 1.01 -1.26 -4.73 120.40 115.60 1dhf s VAL 169 Ca 0.68 0.55 0.04 0.00 0.00 0.00 0.00 61.98 63.25 1dhf s VAL 169 Cb -0.19 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1dhf s VAL 169 CO 0.25 -0.01 0.41 -1.10 0.00 0.00 0.00 175.10 174.65 1dhf s GLN 170 N 2.99 3.43 -0.08 2.72 -1.52 0.11 -4.94 119.66 122.36 1dhf s GLN 170 Ca 0.74 -0.68 -0.06 0.00 -1.95 0.00 0.00 55.36 53.41 1dhf s GLN 170 Cb -0.38 -2.84 0.03 0.00 -0.22 0.00 0.00 33.01 29.60 1dhf s GLN 170 CO 0.32 0.35 0.20 -2.00 -0.25 0.00 0.00 175.29 173.91 1dhf s GLU 171 N -4.07 0.21 -0.10 2.91 2.12 -1.26 -0.92 118.70 117.60 1dhf s GLU 171 Ca 0.36 0.35 -0.05 0.00 0.36 0.00 0.00 54.97 55.99 1dhf s GLU 171 Cb -0.09 0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.37 1dhf s GLU 171 CO 0.31 -0.08 0.22 -1.21 -0.54 0.00 0.00 175.26 173.96 1dhf s GLU 172 N 0.51 0.17 -1.52 4.30 2.02 -0.49 -4.89 118.70 118.79 1dhf s GLU 172 Ca -0.03 0.50 -0.11 0.00 0.02 0.00 0.00 54.97 55.35 1dhf s GLU 172 Cb -0.05 -0.14 0.08 0.00 0.10 0.00 0.00 34.13 34.12 1dhf s GLU 172 CO -0.03 -0.17 0.81 1.63 0.02 0.00 0.00 175.26 177.52 1dhf n LYS 173 N 4.31 -4.58 -0.47 1.61 5.02 -1.26 -0.91 118.16 121.89 1dhf n LYS 173 Ca -0.24 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1dhf n LYS 173 Cb 0.52 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 1dhf n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dhf n GLY 174 N -1.65 1.79 3.73 0.72 0.00 -1.26 -5.00 105.19 103.51 1dhf n GLY 174 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1dhf n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dhf s ILE 175 N -3.21 5.36 0.07 -0.61 1.01 -0.08 -5.09 121.20 118.65 1dhf s ILE 175 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 1dhf s ILE 175 Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1dhf s ILE 175 CO 0.00 0.41 0.33 -0.54 0.00 0.00 0.00 174.94 175.14 1dhf s LYS 176 N 0.44 3.63 0.11 2.79 1.02 -1.26 -1.40 119.74 125.08 1dhf s LYS 176 Ca 0.11 -0.04 -0.23 0.00 0.02 0.00 0.00 55.97 55.83 1dhf s LYS 176 Cb -0.12 -2.99 0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1dhf s LYS 176 CO 0.01 0.58 0.58 1.52 -0.92 0.00 0.00 175.35 177.12 1dhf s TYR 177 N -1.43 -0.51 0.04 3.18 -0.85 -0.10 0.22 117.35 117.90 1dhf s TYR 177 Ca 0.33 0.42 0.02 0.00 -0.52 0.00 0.00 57.07 57.32 1dhf s TYR 177 Cb -0.13 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 1dhf s TYR 177 CO 0.20 -0.78 -0.07 0.21 -1.52 0.00 0.00 175.55 173.59 1dhf s LYS 178 N -3.23 0.50 -0.16 -3.49 2.20 -1.09 0.07 119.74 114.55 1dhf s LYS 178 Ca -0.01 -0.70 -0.09 0.00 -0.36 0.00 0.00 55.97 54.80 1dhf s LYS 178 Cb -0.01 -0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 36.00 1dhf s LYS 178 CO -0.08 0.05 0.16 -0.06 -0.36 0.00 0.00 175.35 175.05 1dhf s PHE 179 N -1.29 3.50 0.11 4.03 0.08 -1.26 -0.58 117.98 122.58 1dhf s PHE 179 Ca -0.09 0.46 0.06 0.00 0.12 0.00 0.00 56.93 57.48 1dhf s PHE 179 Cb -0.09 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1dhf s PHE 179 CO 0.00 0.48 -0.15 -1.21 -0.10 0.00 0.00 175.22 174.25 1dhf s GLU 180 N -0.26 0.99 -0.07 0.44 2.02 0.35 -4.92 118.70 117.27 1dhf s GLU 180 Ca 0.12 -1.18 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 1dhf s GLU 180 Cb -0.12 -0.93 0.03 0.00 0.10 0.00 0.00 34.13 33.20 1dhf s GLU 180 CO 0.02 0.19 -0.01 0.08 0.02 0.00 0.00 175.26 175.56 1dhf s VAL 181 N -1.89 0.39 0.00 2.63 1.01 -1.26 -1.17 120.40 120.12 1dhf s VAL 181 Ca 0.07 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1dhf s VAL 181 Cb -0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1dhf s VAL 181 CO 0.03 0.25 -0.25 -0.31 0.00 0.00 0.00 175.10 174.82 1dhf s TYR 182 N 1.76 2.22 0.01 5.22 1.51 -0.11 0.37 117.35 128.33 1dhf s TYR 182 Ca 0.02 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1dhf s TYR 182 Cb -0.13 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1dhf s TYR 182 CO -0.04 0.02 -0.10 -2.00 -1.11 0.00 0.00 175.55 172.31 1dhf s GLU 183 N -0.80 0.77 0.06 -0.62 2.12 -0.74 0.70 118.70 120.19 1dhf s GLU 183 Ca 0.10 -0.52 0.08 0.00 0.36 0.00 0.00 54.97 55.00 1dhf s GLU 183 Cb -0.10 -0.73 -0.03 0.00 0.26 0.00 0.00 34.13 33.53 1dhf s GLU 183 CO 0.00 0.19 -0.23 0.21 -0.54 0.00 0.00 175.26 174.89 1dhf s LYS 184 N -0.68 1.46 0.00 4.30 2.20 0.58 -0.35 119.74 127.26 1dhf s LYS 184 Ca 0.01 -1.05 0.09 0.00 -0.36 0.00 0.00 55.97 54.66 1dhf s LYS 184 Cb -0.06 -1.65 0.07 0.00 -1.51 0.00 0.00 37.83 34.68 1dhf s LYS 184 CO 0.00 0.42 0.78 0.09 -0.36 0.00 0.00 175.35 176.28