#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwf s ASP 6 N 0.00 6.41 -0.15 -3.46 -0.00 -1.26 -5.09 116.67 113.12 3hwf s ASP 6 Ca 0.00 0.50 -0.08 0.00 -0.00 0.00 0.00 52.55 52.97 3hwf s ASP 6 Cb 0.00 -2.08 0.06 0.00 -0.00 0.00 0.00 42.92 40.89 3hwf s ASP 6 CO 0.00 0.39 0.36 -0.76 -0.00 0.00 0.00 175.17 175.16 3hwf s LEU 7 N -0.97 0.06 0.35 1.23 1.02 -1.26 -5.07 118.68 114.02 3hwf s LEU 7 Ca 0.15 0.77 -0.28 0.00 0.02 0.00 0.00 54.13 54.79 3hwf s LEU 7 Cb -0.12 1.14 -0.12 0.00 0.02 0.00 0.00 46.19 47.11 3hwf s LEU 7 CO 0.04 -0.19 1.32 -0.38 0.02 0.00 0.00 176.35 177.17 3hwf n ILE 8 N 4.29 1.99 -2.38 -0.59 5.41 -1.26 -4.94 119.36 121.87 3hwf n ILE 8 Ca -0.24 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.63 3hwf n ILE 8 Cb 0.54 -1.63 -0.03 0.00 -0.71 0.00 0.00 39.64 37.81 3hwf n ILE 8 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3hwf s PRO 9 N -1.89 4.33 0.32 0.38 0.02 -1.26 -4.88 135.00 132.02 3hwf s PRO 9 Ca 0.55 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 3hwf s PRO 9 Cb -0.56 -2.89 -0.13 0.00 0.02 0.00 0.00 34.50 30.94 3hwf s PRO 9 CO 0.62 -0.07 1.28 0.00 -0.33 0.00 0.00 177.00 178.51 3hwf n ALA 10 N 0.56 1.12 -1.56 -1.55 0.00 -1.26 -4.97 120.51 112.85 3hwf n ALA 10 Ca 0.02 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 3hwf n ALA 10 Cb 0.46 -2.24 0.10 0.00 0.00 0.00 0.00 19.45 17.77 3hwf n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hwf s PRO 11 N -1.60 1.95 0.12 0.00 0.04 -1.26 -4.95 135.00 129.29 3hwf s PRO 11 Ca 0.58 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 3hwf s PRO 11 Cb -0.59 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 3hwf s PRO 11 CO 0.60 -1.70 1.63 -1.25 0.04 0.00 0.00 177.00 176.32 3hwf s PRO 12 N -5.18 4.20 0.47 0.56 0.04 -1.26 -4.84 135.00 128.99 3hwf s PRO 12 Ca 0.61 2.36 0.32 0.00 0.04 0.00 0.00 61.00 64.34 3hwf s PRO 12 Cb -0.14 -3.39 1.44 0.00 0.04 0.00 0.00 34.50 32.45 3hwf s PRO 12 CO 0.54 -0.68 1.67 -0.07 0.04 0.00 0.00 177.00 178.50 3hwf h LEU 13 N 7.75 0.20 -0.94 -3.56 4.07 -1.94 0.25 115.31 121.15 3hwf h LEU 13 Ca -0.43 0.08 0.34 0.00 0.08 0.00 0.00 57.88 57.95 3hwf h LEU 13 Cb 1.20 0.06 -0.17 0.00 1.08 0.00 0.00 40.66 42.84 3hwf h LEU 13 CO 0.92 -0.07 0.31 -1.54 -1.08 0.00 0.00 178.44 176.98 3hwf n SER 14 N -4.47 0.15 -2.07 -0.43 3.41 -1.26 -0.08 113.62 108.88 3hwf n SER 14 Ca 0.34 1.57 -0.11 0.00 -0.26 0.00 0.00 58.87 60.42 3hwf n SER 14 Cb 1.40 -0.69 0.28 0.00 -0.26 0.00 0.00 64.21 64.93 3hwf n SER 14 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3hwf n LYS 15 N -5.23 3.36 -3.98 4.33 2.85 0.89 -4.71 118.16 115.66 3hwf n LYS 15 Ca 0.30 -3.08 -0.31 0.00 -1.05 0.00 0.00 58.31 54.17 3hwf n LYS 15 Cb 1.02 -2.21 -0.14 0.00 -0.65 0.00 0.00 35.03 33.04 3hwf n LYS 15 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3hwf s VAL 16 N -3.08 2.46 0.52 0.58 1.01 0.89 -4.94 120.40 117.83 3hwf s VAL 16 Ca 0.56 -2.75 -0.21 0.00 0.00 0.00 0.00 61.98 59.58 3hwf s VAL 16 Cb 0.45 -2.76 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 3hwf s VAL 16 CO 0.13 -0.69 0.89 -2.65 0.00 0.00 0.00 175.10 172.78 3hwf n PRO 17 N 3.78 1.00 -4.27 2.72 -0.02 -1.26 -4.99 135.00 131.97 3hwf n PRO 17 Ca 0.04 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 3hwf n PRO 17 Cb 0.38 -2.02 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 3hwf n PRO 17 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hwf s LEU 18 N -0.84 3.58 -0.54 2.45 2.96 -1.26 -3.89 118.68 121.14 3hwf s LEU 18 Ca 0.69 0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 54.36 3hwf s LEU 18 Cb -0.48 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.21 3hwf s LEU 18 CO 0.53 0.29 1.16 -1.58 -1.32 0.00 0.00 176.35 175.42 3hwf s GLN 19 N -1.50 3.57 0.56 1.98 2.00 -0.37 -4.91 119.66 120.99 3hwf s GLN 19 Ca 0.19 0.32 -0.07 0.00 -2.00 0.00 0.00 55.36 53.80 3hwf s GLN 19 Cb -0.12 -3.98 -0.02 0.00 0.80 0.00 0.00 33.01 29.69 3hwf s GLN 19 CO 0.10 -1.57 0.90 1.14 -0.50 0.00 0.00 175.29 175.36 3hwf s GLN 20 N 4.73 3.31 0.00 1.67 -2.07 -1.26 -3.97 119.66 122.07 3hwf s GLN 20 Ca 0.44 0.29 0.00 0.00 -1.82 0.00 0.00 55.36 54.27 3hwf s GLN 20 Cb -0.08 -2.25 0.00 0.00 -1.09 0.00 0.00 33.01 29.60 3hwf s GLN 20 CO 0.27 -0.50 0.00 0.27 -1.32 0.00 0.00 175.29 174.01 3hwf n ASN 21 N -2.53 -0.03 -4.34 12.60 2.04 -1.26 -4.94 115.26 116.81 3hwf n ASN 21 Ca 0.03 0.06 -0.35 0.00 -0.44 0.00 0.00 54.58 53.89 3hwf n ASN 21 Cb 0.56 -0.09 -0.14 0.00 -2.53 0.00 0.00 39.78 37.58 3hwf n ASN 21 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 3hwf s PHE 22 N 0.00 2.95 -0.55 -2.53 2.19 -1.25 -5.05 117.98 113.73 3hwf s PHE 22 Ca 0.00 -0.83 -0.19 0.00 0.33 0.00 0.00 56.93 56.24 3hwf s PHE 22 Cb 0.00 -2.06 0.09 0.00 -1.31 0.00 0.00 43.02 39.74 3hwf s PHE 22 CO 0.00 -0.45 0.65 -0.65 1.83 0.00 0.00 175.22 176.60 3hwf s GLN 23 N 1.22 3.06 0.44 10.12 -1.52 -1.26 -4.82 119.66 126.91 3hwf s GLN 23 Ca 0.03 -1.20 0.19 0.00 -1.95 0.00 0.00 55.36 52.43 3hwf s GLN 23 Cb -0.14 -4.21 1.04 0.00 -0.22 0.00 0.00 33.01 29.48 3hwf s GLN 23 CO -0.02 -1.40 1.94 0.38 -0.25 0.00 0.00 175.29 175.94 3hwf h ASP 24 N 9.09 0.00 -0.00 5.90 2.03 -2.00 -2.95 116.42 128.49 3hwf h ASP 24 Ca -0.29 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.91 3hwf h ASP 24 Cb 1.09 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.60 3hwf h ASP 24 CO 1.04 0.24 -0.38 -0.55 -1.03 0.00 0.00 179.24 178.56 3hwf h ASN 25 N 0.00 0.34 0.22 4.15 -1.07 -1.99 -3.29 115.58 113.94 3hwf h ASN 25 Ca -0.00 -0.77 0.00 0.00 0.07 0.00 0.00 56.30 55.60 3hwf h ASN 25 Cb 0.50 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 3hwf h ASN 25 CO 0.03 1.06 0.00 0.00 0.07 0.00 0.00 177.43 178.60 3hwf n GLN 26 N -4.40 0.01 0.00 4.14 6.02 -1.12 -1.21 117.38 120.82 3hwf n GLN 26 Ca -0.10 0.37 0.11 0.00 -0.01 0.00 0.00 57.00 57.37 3hwf n GLN 26 Cb 0.57 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.31 3hwf n GLN 26 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hwf n PHE 27 N -1.48 0.02 -1.14 1.08 7.35 -1.16 -4.74 117.46 117.39 3hwf n PHE 27 Ca 0.02 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.37 3hwf n PHE 27 Cb 0.07 -0.11 0.11 0.00 0.35 0.00 0.00 39.48 39.91 3hwf n PHE 27 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3hwf n GLN 28 N -1.55 0.21 0.00 -4.13 6.02 -0.35 -4.82 117.38 112.77 3hwf n GLN 28 Ca 0.04 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3hwf n GLN 28 Cb 0.34 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.36 3hwf n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hwf n GLY 29 N 0.93 -0.30 3.75 1.08 0.00 0.24 -4.93 105.19 105.96 3hwf n GLY 29 Ca 0.12 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3hwf n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hwf s LYS 30 N -0.07 4.51 -0.05 1.61 2.20 -1.26 -1.22 119.74 125.47 3hwf s LYS 30 Ca 0.00 1.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.74 3hwf s LYS 30 Cb 0.00 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 3hwf s LYS 30 CO 0.00 0.35 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.60 3hwf s TRP 31 N -0.29 1.64 -0.12 4.03 0.52 0.10 -4.79 118.94 120.02 3hwf s TRP 31 Ca 0.38 -0.50 -0.20 0.00 0.02 0.00 0.00 56.10 55.80 3hwf s TRP 31 Cb -0.21 -1.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.95 3hwf s TRP 31 CO 0.24 -0.19 0.59 0.71 0.02 0.00 0.00 176.95 178.31 3hwf s TYR 32 N 0.17 3.50 -0.92 -1.98 2.02 0.13 -0.89 117.35 119.38 3hwf s TYR 32 Ca -0.06 1.01 -0.24 0.00 -0.37 0.00 0.00 57.07 57.41 3hwf s TYR 32 Cb -0.12 -2.69 0.01 0.00 -0.40 0.00 0.00 41.96 38.75 3hwf s TYR 32 CO 0.03 0.06 1.63 0.08 -1.57 0.00 0.00 175.55 175.77 3hwf s VAL 33 N 1.00 3.70 -0.27 0.71 1.01 -0.54 0.19 120.40 126.21 3hwf s VAL 33 Ca 0.30 -0.43 0.20 0.00 0.00 0.00 0.00 61.98 62.05 3hwf s VAL 33 Cb -0.16 -4.61 0.12 0.00 0.00 0.00 0.00 36.38 31.73 3hwf s VAL 33 CO 0.13 -1.52 1.33 -0.37 0.00 0.00 0.00 175.10 174.67 3hwf h VAL 34 N 6.88 0.31 -3.80 2.92 -1.51 -1.06 -3.40 116.25 116.58 3hwf h VAL 34 Ca 0.08 -1.48 -0.25 0.00 -1.23 0.00 0.00 66.70 63.82 3hwf h VAL 34 Cb 1.02 2.01 -0.27 0.00 -2.13 0.00 0.00 31.29 31.92 3hwf h VAL 34 CO 1.32 0.18 -0.73 -0.83 -1.23 0.00 0.00 177.57 176.28 3hwf s GLY 35 N -4.39 0.10 -0.06 5.19 0.00 -0.68 -3.74 107.32 103.73 3hwf s GLY 35 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 3hwf s GLY 35 CO 0.74 -0.13 0.11 -2.27 0.00 0.00 0.00 173.10 171.55 3hwf s LEU 36 N -0.22 0.38 0.01 0.66 0.20 0.05 -0.05 118.68 119.70 3hwf s LEU 36 Ca -0.01 0.23 -0.03 0.00 0.69 0.00 0.00 54.13 55.00 3hwf s LEU 36 Cb -0.02 0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.89 3hwf s LEU 36 CO -0.00 -0.20 0.04 0.00 -0.29 0.00 0.00 176.35 175.90 3hwf s ALA 37 N 1.75 -0.06 0.00 5.97 0.00 -0.56 0.28 121.76 129.14 3hwf s ALA 37 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3hwf s ALA 37 Cb -0.12 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3hwf s ALA 37 CO -0.05 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3hwf n GLY 38 N 1.76 1.09 0.25 0.00 0.00 -1.01 0.21 105.19 107.49 3hwf n GLY 38 Ca -0.22 -0.72 0.17 0.00 0.00 0.00 0.00 46.02 45.25 3hwf n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hwf h ASN 39 N 0.00 0.00 -0.05 1.61 7.08 -1.82 -1.53 115.58 120.87 3hwf h ASN 39 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3hwf h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 3hwf h ASN 39 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.35 3hwf n ALA 40 N -2.00 2.46 -2.62 4.14 0.00 -1.26 -4.65 120.51 116.59 3hwf n ALA 40 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 3hwf n ALA 40 Cb 0.22 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 3hwf n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hwf s ILE 41 N -1.23 5.15 -0.12 0.00 -1.09 -0.58 -5.09 121.20 118.25 3hwf s ILE 41 Ca 0.18 0.76 -0.06 0.00 -2.23 0.00 0.00 60.65 59.30 3hwf s ILE 41 Cb 0.13 -3.69 0.05 0.00 -1.58 0.00 0.00 42.46 37.37 3hwf s ILE 41 CO 0.19 0.50 0.26 -0.22 -1.23 0.00 0.00 174.94 174.44 3hwf s LEU 42 N -0.44 0.24 0.30 2.97 2.96 -1.26 -4.45 118.68 118.99 3hwf s LEU 42 Ca 0.22 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 3hwf s LEU 42 Cb -0.15 0.79 -0.11 0.00 0.50 0.00 0.00 46.19 47.21 3hwf s LEU 42 CO 0.10 -0.18 1.61 -0.60 -1.32 0.00 0.00 176.35 175.96 3hwf s ARG 43 N 1.49 4.10 -0.36 1.98 6.06 -0.61 -4.99 118.95 126.62 3hwf s ARG 43 Ca -0.07 2.61 0.01 0.00 -2.50 0.00 0.00 55.73 55.77 3hwf s ARG 43 Cb -0.11 -3.01 0.14 0.00 0.06 0.00 0.00 34.95 32.04 3hwf s ARG 43 CO -0.09 -0.65 0.26 -1.21 -2.50 0.00 0.00 175.30 171.11 3hwf s GLU 44 N -0.57 0.57 0.00 5.12 2.02 -1.26 -5.02 118.70 119.56 3hwf s GLU 44 Ca 0.63 -1.19 0.14 0.00 0.02 0.00 0.00 54.97 54.57 3hwf s GLU 44 Cb -0.48 -1.12 0.60 0.00 0.10 0.00 0.00 34.13 33.22 3hwf s GLU 44 CO 0.49 -1.21 1.44 -0.25 0.02 0.00 0.00 175.26 175.75 3hwf n ASP 45 N 4.10 0.00 -0.03 -0.19 8.00 -1.26 -1.98 116.55 125.18 3hwf n ASP 45 Ca 0.12 0.47 -0.16 0.00 0.71 0.00 0.00 54.79 55.94 3hwf n ASP 45 Cb 0.39 -0.49 -0.09 0.00 -0.02 0.00 0.00 41.12 40.92 3hwf n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hwf h LYS 46 N 0.00 0.48 -2.14 -1.24 1.79 -2.03 -3.39 116.57 110.04 3hwf h LYS 46 Ca 0.00 -0.38 -0.58 0.00 -2.18 0.00 0.00 60.65 57.51 3hwf h LYS 46 Cb 0.23 0.08 -0.40 0.00 -1.58 0.00 0.00 32.23 30.56 3hwf h LYS 46 CO 0.00 1.01 -0.91 -3.47 -1.08 0.00 0.00 179.45 175.00 3hwf n ASP 47 N -4.29 1.35 -4.52 0.86 -0.08 -0.97 -5.13 116.55 103.78 3hwf n ASP 47 Ca -0.08 -2.92 -0.41 0.00 -1.51 0.00 0.00 54.79 49.87 3hwf n ASP 47 Cb 0.57 -0.65 0.02 0.00 2.34 0.00 0.00 41.12 43.40 3hwf n ASP 47 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3hwf n PRO 48 N 1.39 0.85 -1.71 -0.67 -0.02 -0.84 -4.85 135.00 129.15 3hwf n PRO 48 Ca 0.24 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3hwf n PRO 48 Cb 0.48 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 3hwf n PRO 48 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hwf n GLN 49 N 0.20 2.75 -2.82 -0.52 -0.06 -1.26 -4.92 117.38 110.75 3hwf n GLN 49 Ca 0.11 0.99 -0.40 0.00 -2.00 0.00 0.00 57.00 55.70 3hwf n GLN 49 Cb 0.41 -2.85 -0.05 0.00 -4.06 0.00 0.00 30.24 23.69 3hwf n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3hwf s LYS 50 N 1.59 4.70 0.45 3.69 1.02 -1.26 -1.77 119.74 128.16 3hwf s LYS 50 Ca 0.77 1.36 -0.25 0.00 0.02 0.00 0.00 55.97 57.87 3hwf s LYS 50 Cb -0.51 -3.32 -0.08 0.00 -0.52 0.00 0.00 37.83 33.40 3hwf s LYS 50 CO 0.34 0.39 1.43 1.41 -0.92 0.00 0.00 175.35 178.01 3hwf s MET 51 N -0.62 3.67 0.31 1.68 -2.45 -0.56 -4.77 119.30 116.56 3hwf s MET 51 Ca 0.42 2.43 0.03 0.00 -1.25 0.00 0.00 55.69 57.32 3hwf s MET 51 Cb -0.24 -2.65 -0.04 0.00 1.25 0.00 0.00 34.83 33.16 3hwf s MET 51 CO 0.29 -0.84 0.16 1.52 1.05 0.00 0.00 175.02 177.20 3hwf s TYR 52 N -1.20 1.61 0.05 4.11 1.13 -1.26 -4.68 117.35 117.10 3hwf s TYR 52 Ca 0.61 -1.36 0.04 0.00 -1.41 0.00 0.00 57.07 54.96 3hwf s TYR 52 Cb -0.44 -0.87 -0.02 0.00 -1.10 0.00 0.00 41.96 39.53 3hwf s TYR 52 CO 0.56 -0.50 -0.12 0.00 -2.51 0.00 0.00 175.55 172.98 3hwf s ALA 53 N -3.59 0.98 -0.11 9.51 0.00 -0.67 -1.46 121.76 126.41 3hwf s ALA 53 Ca 0.35 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3hwf s ALA 53 Cb 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3hwf s ALA 53 CO 0.17 0.14 -0.18 0.99 0.00 0.00 0.00 175.76 176.88 3hwf s THR 54 N -1.05 1.72 -0.27 0.00 2.01 -0.07 -0.32 115.64 117.67 3hwf s THR 54 Ca -0.02 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 3hwf s THR 54 Cb -0.09 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 3hwf s THR 54 CO 0.01 0.49 0.13 -0.63 -0.69 0.00 0.00 174.62 173.93 3hwf s ILE 55 N 0.79 4.76 -0.37 1.82 1.09 0.18 -0.73 121.20 128.74 3hwf s ILE 55 Ca -0.10 -0.06 -0.15 0.00 -1.10 0.00 0.00 60.65 59.25 3hwf s ILE 55 Cb -0.16 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 3hwf s ILE 55 CO 0.01 0.27 0.33 -0.31 -0.10 0.00 0.00 174.94 175.14 3hwf s TYR 56 N 1.68 3.22 -0.14 3.97 2.02 -0.35 -1.19 117.35 126.54 3hwf s TYR 56 Ca 0.06 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.50 3hwf s TYR 56 Cb -0.16 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 3hwf s TYR 56 CO 0.07 -0.50 -0.17 -1.83 -1.57 0.00 0.00 175.55 171.54 3hwf s GLU 57 N 1.88 3.17 -0.13 -0.62 1.03 -1.13 0.83 118.70 123.72 3hwf s GLU 57 Ca 0.09 -0.78 -0.29 0.00 0.03 0.00 0.00 54.97 54.01 3hwf s GLU 57 Cb -0.17 -2.55 -0.01 0.00 -0.80 0.00 0.00 34.13 30.59 3hwf s GLU 57 CO 0.11 0.04 1.07 -1.17 -1.33 0.00 0.00 175.26 173.98 3hwf s LEU 58 N 0.74 4.21 0.98 1.83 0.20 -1.26 0.52 118.68 125.90 3hwf s LEU 58 Ca -0.07 1.55 -0.12 0.00 0.69 0.00 0.00 54.13 56.19 3hwf s LEU 58 Cb -0.16 -3.55 0.14 0.00 -0.43 0.00 0.00 46.19 42.19 3hwf s LEU 58 CO 0.01 -0.55 0.86 0.29 -0.29 0.00 0.00 176.35 176.67 3hwf n LYS 59 N 5.48 -0.77 0.00 1.98 4.76 -0.53 -4.92 118.16 124.15 3hwf n LYS 59 Ca 0.10 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 3hwf n LYS 59 Cb 0.47 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 3hwf n LYS 59 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hwf n GLU 60 N -3.54 0.00 -0.63 1.97 -0.58 -1.26 -3.05 120.64 113.55 3hwf n GLU 60 Ca 0.09 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.85 3hwf n GLU 60 Cb 0.53 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.64 3hwf n GLU 60 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hwf n ASP 61 N 8.10 3.38 0.00 1.62 5.75 -1.26 -4.95 116.55 129.19 3hwf n ASP 61 Ca 0.00 -3.33 0.00 0.00 -0.01 0.00 0.00 54.79 51.45 3hwf n ASP 61 Cb 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 3hwf n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hwf n LYS 62 N -0.76 0.00 -2.39 0.11 4.76 -1.17 -5.01 118.16 113.70 3hwf n LYS 62 Ca 0.28 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.33 3hwf n LYS 62 Cb 1.00 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.65 3hwf n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3hwf s SER 63 N -3.75 6.96 0.51 4.39 0.01 -1.26 -4.74 113.70 115.81 3hwf s SER 63 Ca 0.00 2.31 -0.18 0.00 1.31 0.00 0.00 55.95 59.39 3hwf s SER 63 Cb 0.00 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 3hwf s SER 63 CO 0.00 -0.37 1.02 -0.31 0.41 0.00 0.00 173.24 173.99 3hwf s TYR 64 N -1.28 3.13 -0.55 2.43 1.51 0.10 -1.46 117.35 121.23 3hwf s TYR 64 Ca 0.50 1.54 -0.02 0.00 -1.01 0.00 0.00 57.07 58.08 3hwf s TYR 64 Cb -0.31 -2.96 0.14 0.00 -0.11 0.00 0.00 41.96 38.72 3hwf s TYR 64 CO 0.40 -0.70 0.36 1.21 -1.11 0.00 0.00 175.55 175.71 3hwf s ASN 65 N -2.44 5.20 -0.45 2.29 3.84 0.19 -1.99 114.94 121.58 3hwf s ASN 65 Ca 0.64 -2.61 -0.21 0.00 0.21 0.00 0.00 52.86 50.89 3hwf s ASN 65 Cb -0.14 -1.84 0.03 0.00 -0.55 0.00 0.00 41.25 38.75 3hwf s ASN 65 CO 0.25 -0.42 0.65 -0.69 -2.79 0.00 0.00 177.10 174.11 3hwf s VAL 66 N 0.30 4.82 -0.22 -5.21 1.01 0.11 -2.84 120.40 118.36 3hwf s VAL 66 Ca 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 3hwf s VAL 66 Cb -0.21 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 3hwf s VAL 66 CO -0.03 -0.63 0.04 -0.89 0.00 0.00 0.00 175.10 173.58 3hwf s THR 67 N 2.83 4.14 -0.16 3.92 2.01 -0.33 -0.83 115.64 127.22 3hwf s THR 67 Ca 0.22 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 3hwf s THR 67 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 3hwf s THR 67 CO 0.18 0.39 0.08 -0.44 -0.69 0.00 0.00 174.62 174.14 3hwf s SER 68 N 1.30 5.81 -0.10 3.53 0.01 0.12 0.47 113.70 124.83 3hwf s SER 68 Ca 0.04 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.52 3hwf s SER 68 Cb -0.15 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 3hwf s SER 68 CO 0.02 0.25 -0.20 0.54 0.41 0.00 0.00 173.24 174.26 3hwf s VAL 69 N -0.11 2.42 -0.03 3.43 0.11 0.56 -0.52 120.40 126.25 3hwf s VAL 69 Ca 0.08 -0.90 -0.10 0.00 -2.93 0.00 0.00 61.98 58.13 3hwf s VAL 69 Cb -0.12 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.79 3hwf s VAL 69 CO 0.01 0.55 0.22 -1.48 -3.33 0.00 0.00 175.10 171.07 3hwf s LEU 70 N 0.25 1.21 -0.53 2.54 2.34 -1.00 -1.67 118.68 121.82 3hwf s LEU 70 Ca -0.14 0.11 -0.18 0.00 0.06 0.00 0.00 54.13 53.98 3hwf s LEU 70 Cb -0.17 0.88 0.08 0.00 -0.56 0.00 0.00 46.19 46.42 3hwf s LEU 70 CO 0.07 -0.29 0.61 0.12 -1.06 0.00 0.00 176.35 175.80 3hwf s PHE 71 N -0.83 3.07 -0.03 3.48 5.36 -1.26 -1.91 117.98 125.86 3hwf s PHE 71 Ca -0.09 -0.76 0.01 0.00 -0.96 0.00 0.00 56.93 55.13 3hwf s PHE 71 Cb -0.05 -3.64 0.02 0.00 -0.34 0.00 0.00 43.02 39.01 3hwf s PHE 71 CO 0.02 -1.08 -0.02 1.03 -1.46 0.00 0.00 175.22 173.71 3hwf s ARG 72 N 2.45 0.53 -1.32 10.12 3.00 -0.29 -4.85 118.95 128.60 3hwf s ARG 72 Ca 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 55.73 55.78 3hwf s ARG 72 Cb -0.22 -0.62 0.01 0.00 0.00 0.00 0.00 34.95 34.12 3hwf s ARG 72 CO 0.09 -0.09 1.00 0.36 0.00 0.00 0.00 175.30 176.66 3hwf n LYS 73 N 3.99 -6.60 -1.06 3.54 -0.00 -1.26 -2.27 118.16 114.50 3hwf n LYS 73 Ca -0.25 0.77 -0.02 0.00 -0.00 0.00 0.00 58.31 58.80 3hwf n LYS 73 Cb 0.51 -5.70 -0.01 0.00 -0.00 0.00 0.00 35.03 29.83 3hwf n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hwf n LYS 74 N -4.51 -1.19 -4.34 -1.58 4.76 -1.26 -4.97 118.16 105.07 3hwf n LYS 74 Ca -0.15 0.42 -0.19 0.00 -2.87 0.00 0.00 58.31 55.52 3hwf n LYS 74 Cb 0.62 -4.37 -0.09 0.00 -1.84 0.00 0.00 35.03 29.34 3hwf n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hwf s LYS 75 N -1.55 1.56 -0.30 1.97 1.02 -0.96 -5.13 119.74 116.35 3hwf s LYS 75 Ca 0.00 -1.88 -0.09 0.00 0.02 0.00 0.00 55.97 54.01 3hwf s LYS 75 Cb 0.00 -0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 3hwf s LYS 75 CO 0.00 -0.40 0.14 0.00 -0.92 0.00 0.00 175.35 174.16 3hwf s ASP 77 N 1.62 6.63 -0.32 0.00 -0.00 -0.80 -4.96 116.67 118.83 3hwf s ASP 77 Ca 0.05 0.76 0.01 0.00 -0.00 0.00 0.00 52.55 53.37 3hwf s ASP 77 Cb -0.17 -2.17 0.08 0.00 -0.00 0.00 0.00 42.92 40.67 3hwf s ASP 77 CO 0.06 0.26 0.03 -0.31 -0.00 0.00 0.00 175.17 175.21 3hwf s TYR 78 N -1.24 3.51 -0.48 4.23 2.02 -1.26 -2.38 117.35 121.75 3hwf s TYR 78 Ca 0.27 -2.51 -0.26 0.00 -0.37 0.00 0.00 57.07 54.20 3hwf s TYR 78 Cb -0.14 -2.57 0.03 0.00 -0.40 0.00 0.00 41.96 38.88 3hwf s TYR 78 CO 0.15 -0.91 0.96 -0.46 -1.57 0.00 0.00 175.55 173.72 3hwf s TRP 79 N 1.06 2.88 -0.10 2.71 -0.00 0.32 -4.90 118.94 120.91 3hwf s TRP 79 Ca 0.02 0.39 0.02 0.00 -0.00 0.00 0.00 56.10 56.53 3hwf s TRP 79 Cb -0.20 -4.06 -0.01 0.00 -0.00 0.00 0.00 33.47 29.19 3hwf s TRP 79 CO -0.05 -1.17 -0.16 0.42 -0.00 0.00 0.00 176.95 175.99 3hwf s ILE 80 N 3.91 2.81 0.25 5.86 1.09 -1.26 0.13 121.20 133.99 3hwf s ILE 80 Ca 0.38 -0.76 -0.22 0.00 -1.10 0.00 0.00 60.65 58.95 3hwf s ILE 80 Cb -0.10 -2.14 0.03 0.00 -1.06 0.00 0.00 42.46 39.19 3hwf s ILE 80 CO 0.26 0.55 0.75 0.00 -0.10 0.00 0.00 174.94 176.40 3hwf s ARG 81 N 0.09 1.65 -0.11 2.79 3.03 -0.01 -5.01 118.95 121.38 3hwf s ARG 81 Ca -0.07 -0.90 -0.00 0.00 2.03 0.00 0.00 55.73 56.79 3hwf s ARG 81 Cb -0.15 0.57 -0.02 0.00 -1.03 0.00 0.00 34.95 34.32 3hwf s ARG 81 CO 0.05 -0.75 -0.09 0.99 -1.13 0.00 0.00 175.30 174.37 3hwf s THR 82 N -3.80 3.48 -0.31 4.99 2.01 -1.26 0.08 115.64 120.83 3hwf s THR 82 Ca 0.10 -0.53 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 3hwf s THR 82 Cb -0.05 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 3hwf s THR 82 CO 0.05 0.55 0.16 -0.36 -0.69 0.00 0.00 174.62 174.32 3hwf s PHE 83 N -0.14 3.18 -0.06 4.92 2.99 -0.84 -0.80 117.98 127.23 3hwf s PHE 83 Ca 0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 56.93 56.22 3hwf s PHE 83 Cb -0.13 -2.36 -0.05 0.00 0.00 0.00 0.00 43.02 40.48 3hwf s PHE 83 CO 0.03 -0.45 0.48 0.54 -0.00 0.00 0.00 175.22 175.83 3hwf s VAL 84 N 1.62 5.08 0.34 -0.44 0.11 0.10 -0.72 120.40 126.48 3hwf s VAL 84 Ca 0.05 0.99 -0.28 0.00 -2.93 0.00 0.00 61.98 59.80 3hwf s VAL 84 Cb -0.17 -3.82 -0.12 0.00 -1.53 0.00 0.00 36.38 30.74 3hwf s VAL 84 CO 0.06 0.41 1.35 -2.65 -3.33 0.00 0.00 175.10 170.95 3hwf n PRO 85 N 2.97 2.24 0.00 1.54 -0.02 -1.26 0.21 135.00 140.68 3hwf n PRO 85 Ca -0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3hwf n PRO 85 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3hwf n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwf n GLY 86 N 0.92 4.34 0.33 -1.23 0.00 -0.52 -4.71 105.19 104.32 3hwf n GLY 86 Ca 0.05 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.49 3hwf n GLY 86 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hwf h SER 87 N 0.00 -0.60 -5.07 1.61 0.87 -1.94 -3.44 113.55 104.98 3hwf h SER 87 Ca 0.00 0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 3hwf h SER 87 Cb 0.00 0.50 -0.14 0.00 -0.44 0.00 0.00 62.40 62.32 3hwf h SER 87 CO 0.00 -0.31 -0.14 0.00 -0.53 0.00 0.00 176.83 175.85 3hwf s GLN 88 N -6.11 0.97 0.08 2.24 -2.07 -1.26 -5.07 119.66 108.44 3hwf s GLN 88 Ca -0.14 -0.62 -0.37 0.00 -1.82 0.00 0.00 55.36 52.41 3hwf s GLN 88 Cb 0.27 0.43 -0.17 0.00 -1.09 0.00 0.00 33.01 32.45 3hwf s GLN 88 CO 0.77 -0.35 1.37 -2.30 -1.32 0.00 0.00 175.29 173.46 3hwf n PRO 89 N 0.08 1.20 0.00 9.60 -0.02 -1.26 -0.40 135.00 144.20 3hwf n PRO 89 Ca -0.17 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3hwf n PRO 89 Cb 0.62 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3hwf n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwf n GLY 90 N 2.63 3.05 3.83 -1.23 0.00 -1.26 -4.73 105.19 107.49 3hwf n GLY 90 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3hwf n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwf s GLU 91 N -0.17 4.02 0.18 1.61 2.02 0.47 -1.65 118.70 125.17 3hwf s GLU 91 Ca 0.00 0.53 -0.02 0.00 0.02 0.00 0.00 54.97 55.50 3hwf s GLU 91 Cb 0.00 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 3hwf s GLU 91 CO 0.00 0.67 0.13 -0.06 0.02 0.00 0.00 175.26 176.02 3hwf s PHE 92 N -1.08 1.00 0.08 1.61 0.40 -0.38 -1.44 117.98 118.18 3hwf s PHE 92 Ca 0.26 -1.28 0.02 0.00 -0.60 0.00 0.00 56.93 55.32 3hwf s PHE 92 Cb -0.18 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.84 3hwf s PHE 92 CO 0.15 -0.62 -0.07 -0.08 0.70 0.00 0.00 175.22 175.30 3hwf s THR 93 N -4.11 0.67 0.13 0.64 -1.32 0.13 -1.09 115.64 110.69 3hwf s THR 93 Ca 0.33 -1.59 -0.31 0.00 -1.21 0.00 0.00 61.69 58.91 3hwf s THR 93 Cb 0.07 -1.25 -0.08 0.00 -1.51 0.00 0.00 72.50 69.73 3hwf s THR 93 CO 0.08 -0.66 1.31 -0.22 -2.21 0.00 0.00 174.62 172.93 3hwf s LEU 94 N -2.44 4.39 0.31 9.08 2.96 -1.23 0.01 118.68 131.76 3hwf s LEU 94 Ca 0.03 2.27 -0.11 0.00 -0.22 0.00 0.00 54.13 56.09 3hwf s LEU 94 Cb -0.01 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 3hwf s LEU 94 CO -0.02 -0.56 0.67 -0.83 -1.32 0.00 0.00 176.35 174.29 3hwf s GLY 95 N 0.85 2.17 -1.31 7.98 0.00 0.02 -4.25 107.32 112.78 3hwf s GLY 95 Ca 0.61 -0.17 -0.05 0.00 0.00 0.00 0.00 44.72 45.11 3hwf s GLY 95 CO 0.32 0.00 1.04 -2.01 0.00 0.00 0.00 173.10 172.45 3hwf n ASN 96 N -0.59 -3.94 0.19 1.64 4.05 -1.26 -4.63 115.26 110.71 3hwf n ASN 96 Ca 0.02 -0.63 0.15 0.00 0.45 0.00 0.00 54.58 54.57 3hwf n ASN 96 Cb 0.53 -4.84 0.76 0.00 1.23 0.00 0.00 39.78 37.46 3hwf n ASN 96 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 3hwf h ILE 97 N -2.24 0.68 0.00 -1.44 -0.00 -1.98 -1.83 117.51 110.69 3hwf h ILE 97 Ca -0.58 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 3hwf h ILE 97 Cb 1.36 0.88 0.00 0.00 -0.00 0.00 0.00 36.82 39.06 3hwf h ILE 97 CO 0.55 0.00 0.00 0.11 -0.00 0.00 0.00 178.15 178.81 3hwf h LYS 98 N 0.00 0.00 -0.20 2.19 1.79 -1.90 -2.92 116.57 115.54 3hwf h LYS 98 Ca 0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3hwf h LYS 98 Cb 0.41 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 3hwf h LYS 98 CO -0.00 0.00 0.08 0.77 -1.08 0.00 0.00 179.45 179.22 3hwf h SER 99 N 0.00 0.24 -3.48 0.86 0.02 -1.70 -3.42 113.55 106.07 3hwf h SER 99 Ca 0.00 -0.02 -0.71 0.00 -0.84 0.00 0.00 61.79 60.22 3hwf h SER 99 Cb 0.45 -0.06 -0.20 0.00 0.14 0.00 0.00 62.40 62.73 3hwf h SER 99 CO 0.00 0.22 -0.32 -0.31 -1.14 0.00 0.00 176.83 175.28 3hwf s TYR 100 N -5.16 3.21 0.21 3.45 1.51 -1.10 -5.04 117.35 114.43 3hwf s TYR 100 Ca -0.06 -0.55 -0.31 0.00 -1.01 0.00 0.00 57.07 55.13 3hwf s TYR 100 Cb 0.17 -2.80 -0.11 0.00 -0.11 0.00 0.00 41.96 39.11 3hwf s TYR 100 CO 0.71 -0.67 1.62 -2.14 -1.11 0.00 0.00 175.55 173.96 3hwf s PRO 101 N 1.87 4.17 0.00 -1.71 0.02 -1.26 -2.26 135.00 135.83 3hwf s PRO 101 Ca 0.08 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3hwf s PRO 101 Cb -0.19 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3hwf s PRO 101 CO 0.11 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 3hwf n GLY 102 N 3.45 2.64 3.67 0.52 0.00 -1.26 -4.84 105.19 109.36 3hwf n GLY 102 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3hwf n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwf s LEU 103 N 0.00 4.14 -0.22 0.99 2.96 -0.96 -0.58 118.68 125.01 3hwf s LEU 103 Ca 0.00 1.46 0.02 0.00 -0.22 0.00 0.00 54.13 55.39 3hwf s LEU 103 Cb 0.00 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 43.00 3hwf s LEU 103 CO 0.00 -0.64 -0.18 0.41 -1.32 0.00 0.00 176.35 174.62 3hwf n THR 104 N 5.17 1.27 -3.73 3.68 -1.04 -0.30 -4.89 114.28 114.44 3hwf n THR 104 Ca 0.12 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.49 3hwf n THR 104 Cb 0.46 -1.25 -0.08 0.00 -1.82 0.00 0.00 70.33 67.64 3hwf n THR 104 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3hwf s SER 105 N -6.10 -0.24 -0.17 8.00 0.15 -1.09 -5.00 113.70 109.25 3hwf s SER 105 Ca -0.29 0.15 -0.09 0.00 0.70 0.00 0.00 55.95 56.42 3hwf s SER 105 Cb 0.08 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 3hwf s SER 105 CO 0.52 -0.47 0.41 -0.47 1.20 0.00 0.00 173.24 174.43 3hwf s TYR 106 N -1.34 -0.61 -0.06 3.44 6.14 -1.26 -0.75 117.35 122.91 3hwf s TYR 106 Ca -0.13 1.29 -0.01 0.00 0.64 0.00 0.00 57.07 58.86 3hwf s TYR 106 Cb -0.05 0.26 0.03 0.00 0.42 0.00 0.00 41.96 42.63 3hwf s TYR 106 CO 0.05 -0.35 0.01 -1.17 0.64 0.00 0.00 175.55 174.73 3hwf s LEU 107 N 1.46 0.60 -0.05 6.97 2.96 0.12 -3.52 118.68 127.22 3hwf s LEU 107 Ca -0.09 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3hwf s LEU 107 Cb -0.09 -0.37 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 3hwf s LEU 107 CO -0.13 -0.19 0.06 -0.69 -1.32 0.00 0.00 176.35 174.08 3hwf s VAL 108 N 1.86 4.69 -0.15 1.68 1.01 -0.25 -0.35 120.40 128.90 3hwf s VAL 108 Ca 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3hwf s VAL 108 Cb -0.12 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.27 3hwf s VAL 108 CO -0.04 0.49 0.27 -0.60 0.00 0.00 0.00 175.10 175.22 3hwf s ARG 109 N -1.30 0.17 -0.61 2.72 6.06 0.73 -1.25 118.95 125.48 3hwf s ARG 109 Ca 0.18 0.66 -0.27 0.00 -2.50 0.00 0.00 55.73 53.80 3hwf s ARG 109 Cb -0.12 -0.23 0.03 0.00 0.06 0.00 0.00 34.95 34.70 3hwf s ARG 109 CO 0.08 -0.36 1.17 0.08 -2.50 0.00 0.00 175.30 173.77 3hwf s VAL 110 N 2.42 4.01 0.02 7.11 1.01 -0.66 0.46 120.40 134.78 3hwf s VAL 110 Ca 0.03 0.72 -0.28 0.00 0.00 0.00 0.00 61.98 62.45 3hwf s VAL 110 Cb -0.13 -4.74 -0.15 0.00 0.00 0.00 0.00 36.38 31.36 3hwf s VAL 110 CO -0.10 -1.41 1.16 0.58 0.00 0.00 0.00 175.10 175.33 3hwf h VAL 111 N 6.12 0.02 -3.02 2.92 2.07 -0.53 -0.97 116.25 122.85 3hwf h VAL 111 Ca -0.26 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 3hwf h VAL 111 Cb 1.06 0.02 -0.20 0.00 -1.52 0.00 0.00 31.29 30.65 3hwf h VAL 111 CO 1.19 0.00 -0.27 -0.94 0.02 0.00 0.00 177.57 177.58 3hwf s SER 112 N -4.42 -0.20 -0.15 0.57 1.04 -1.00 -2.05 113.70 107.49 3hwf s SER 112 Ca -0.15 0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 3hwf s SER 112 Cb 0.01 0.32 0.10 0.00 0.10 0.00 0.00 66.02 66.55 3hwf s SER 112 CO 0.44 -0.46 0.84 0.28 0.98 0.00 0.00 173.24 175.32 3hwf s THR 113 N -1.36 0.00 -0.48 2.02 -1.32 -1.26 0.20 115.64 113.43 3hwf s THR 113 Ca -0.13 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.50 3hwf s THR 113 Cb -0.05 -1.00 0.68 0.00 -1.51 0.00 0.00 72.50 70.62 3hwf s THR 113 CO 0.04 0.00 1.59 -0.46 -2.21 0.00 0.00 174.62 173.58 3hwf n ASN 114 N 1.33 4.77 0.00 8.08 6.94 -1.13 -5.01 115.26 130.24 3hwf n ASN 114 Ca -0.15 -2.78 0.00 0.00 -0.02 0.00 0.00 54.58 51.63 3hwf n ASN 114 Cb 0.57 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 3hwf n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3hwf n TYR 115 N 0.39 0.00 1.02 -2.53 4.01 -1.25 -4.18 117.16 114.62 3hwf n TYR 115 Ca 0.24 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.09 3hwf n TYR 115 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 3hwf n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3hwf n ASN 116 N 1.18 1.22 0.03 7.72 0.23 -1.26 -4.71 115.26 119.66 3hwf n ASN 116 Ca 0.00 -1.03 0.00 0.00 -0.53 0.00 0.00 54.58 53.02 3hwf n ASN 116 Cb 0.00 0.69 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 3hwf n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwf n GLN 117 N -1.03 0.00 -4.07 -3.83 6.02 -1.26 -4.77 117.38 108.44 3hwf n GLN 117 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.95 3hwf n GLN 117 Cb 0.37 -0.40 -0.08 0.00 1.02 0.00 0.00 30.24 31.15 3hwf n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3hwf s HIS 118 N -2.00 0.70 -0.17 1.08 -3.43 -1.26 -0.63 115.29 109.58 3hwf s HIS 118 Ca 0.00 -1.03 -0.28 0.00 -0.80 0.00 0.00 55.06 52.95 3hwf s HIS 118 Cb 0.00 -0.24 0.09 0.00 -1.43 0.00 0.00 32.58 31.00 3hwf s HIS 118 CO 0.00 -0.71 0.81 0.00 -2.00 0.00 0.00 174.74 172.84 3hwf s ALA 119 N -4.05 -1.84 -0.20 -1.38 0.00 0.92 -2.83 121.76 112.39 3hwf s ALA 119 Ca 0.26 1.67 0.01 0.00 0.00 0.00 0.00 51.96 53.90 3hwf s ALA 119 Cb 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.49 3hwf s ALA 119 CO 0.05 -0.33 -0.17 -1.64 0.00 0.00 0.00 175.76 173.68 3hwf s MET 120 N -0.49 2.71 -0.09 0.00 -1.94 0.13 0.65 119.30 120.27 3hwf s MET 120 Ca -0.04 -0.95 0.03 0.00 -1.71 0.00 0.00 55.69 53.02 3hwf s MET 120 Cb -0.02 -2.62 -0.01 0.00 2.01 0.00 0.00 34.83 34.18 3hwf s MET 120 CO 0.03 -0.32 -0.20 0.08 -0.01 0.00 0.00 175.02 174.60 3hwf s VAL 121 N 1.26 2.41 -0.13 -6.03 1.01 -1.00 0.01 120.40 117.93 3hwf s VAL 121 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3hwf s VAL 121 Cb -0.15 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 3hwf s VAL 121 CO -0.11 0.56 0.20 0.12 0.00 0.00 0.00 175.10 175.87 3hwf s PHE 122 N 0.11 3.54 0.03 5.22 2.19 0.17 -1.46 117.98 127.79 3hwf s PHE 122 Ca -0.10 0.55 0.07 0.00 0.33 0.00 0.00 56.93 57.78 3hwf s PHE 122 Cb -0.16 -2.11 -0.02 0.00 -1.31 0.00 0.00 43.02 39.42 3hwf s PHE 122 CO 0.06 0.52 -0.20 -0.06 1.83 0.00 0.00 175.22 177.37 3hwf s PHE 123 N -0.41 1.78 -0.04 10.12 0.08 -0.01 -0.19 117.98 129.31 3hwf s PHE 123 Ca 0.15 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.82 3hwf s PHE 123 Cb -0.13 -1.08 0.03 0.00 -0.57 0.00 0.00 43.02 41.28 3hwf s PHE 123 CO 0.04 0.06 0.03 0.21 -0.10 0.00 0.00 175.22 175.45 3hwf s LYS 124 N -1.00 0.20 -0.08 0.44 2.20 0.53 -1.36 119.74 120.67 3hwf s LYS 124 Ca 0.07 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 3hwf s LYS 124 Cb -0.08 -0.57 0.02 0.00 -1.51 0.00 0.00 37.83 35.68 3hwf s LYS 124 CO 0.01 -0.25 -0.06 0.21 -0.36 0.00 0.00 175.35 174.90 3hwf s LYS 125 N 1.65 1.19 -0.36 4.03 2.20 0.66 0.15 119.74 129.26 3hwf s LYS 125 Ca -0.01 -0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.32 3hwf s LYS 125 Cb -0.13 -1.23 0.02 0.00 -1.51 0.00 0.00 37.83 34.98 3hwf s LYS 125 CO -0.03 -0.17 0.19 0.08 -0.36 0.00 0.00 175.35 175.06 3hwf s VAL 126 N 1.36 4.62 -0.04 4.02 1.01 0.07 0.12 120.40 131.54 3hwf s VAL 126 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3hwf s VAL 126 Cb -0.14 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3hwf s VAL 126 CO -0.03 -0.14 -0.08 -0.55 0.00 0.00 0.00 175.10 174.30 3hwf s SER 127 N 1.58 1.23 -1.12 3.32 0.15 -0.24 -1.15 113.70 117.47 3hwf s SER 127 Ca 0.03 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.49 3hwf s SER 127 Cb -0.18 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 3hwf s SER 127 CO 0.07 0.01 0.00 0.00 1.20 0.00 0.00 173.24 174.51 3hwf n GLN 128 N 3.73 -2.03 -0.03 5.44 6.02 0.25 -1.90 117.38 128.87 3hwf n GLN 128 Ca -0.23 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 3hwf n GLN 128 Cb 0.52 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.62 3hwf n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3hwf n ASN 129 N -1.53 0.00 -4.85 1.08 5.03 -1.26 -5.00 115.26 108.72 3hwf n ASN 129 Ca -0.14 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 54.97 3hwf n ASN 129 Cb 0.57 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.28 3hwf n ASN 129 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hwf s ARG 130 N -0.43 3.93 -0.34 3.52 0.52 -0.80 -5.08 118.95 120.29 3hwf s ARG 130 Ca 0.00 0.45 -0.06 0.00 -0.52 0.00 0.00 55.73 55.60 3hwf s ARG 130 Cb 0.00 -2.78 0.04 0.00 0.52 0.00 0.00 34.95 32.73 3hwf s ARG 130 CO 0.00 0.39 0.10 -2.00 0.02 0.00 0.00 175.30 173.80 3hwf s GLU 131 N -2.36 2.59 0.13 3.54 2.12 -1.26 -1.08 118.70 122.38 3hwf s GLU 131 Ca 0.43 -1.20 0.04 0.00 0.36 0.00 0.00 54.97 54.60 3hwf s GLU 131 Cb -0.13 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 3hwf s GLU 131 CO 0.20 -0.67 0.11 0.71 -0.54 0.00 0.00 175.26 175.07 3hwf s TYR 132 N 1.38 3.16 0.07 5.30 1.51 0.12 -4.55 117.35 124.34 3hwf s TYR 132 Ca -0.02 0.02 -0.08 0.00 -1.01 0.00 0.00 57.07 55.98 3hwf s TYR 132 Cb -0.20 -1.55 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 3hwf s TYR 132 CO 0.02 0.52 0.17 -0.59 -1.11 0.00 0.00 175.55 174.56 3hwf s PHE 133 N -1.61 0.15 0.09 2.71 -0.71 -1.26 -0.25 117.98 117.10 3hwf s PHE 133 Ca 0.30 -0.51 -0.13 0.00 -1.04 0.00 0.00 56.93 55.55 3hwf s PHE 133 Cb -0.11 -0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.65 3hwf s PHE 133 CO 0.23 -0.49 0.32 -1.59 -1.34 0.00 0.00 175.22 172.35 3hwf s LYS 134 N -3.39 0.94 0.05 1.99 -2.85 -0.46 -2.59 119.74 113.42 3hwf s LYS 134 Ca 0.01 -0.72 0.08 0.00 -1.00 0.00 0.00 55.97 54.34 3hwf s LYS 134 Cb 0.03 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 3hwf s LYS 134 CO -0.08 -0.33 -0.22 0.42 0.10 0.00 0.00 175.35 175.24 3hwf s ILE 135 N -3.47 1.75 -0.13 3.79 1.01 0.13 -0.83 121.20 123.46 3hwf s ILE 135 Ca 0.01 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 59.42 3hwf s ILE 135 Cb 0.02 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.99 3hwf s ILE 135 CO -0.09 0.22 -0.14 -0.89 0.00 0.00 0.00 174.94 174.03 3hwf s THR 136 N -0.82 1.47 -0.58 2.92 2.01 -0.53 -1.50 115.64 118.61 3hwf s THR 136 Ca 0.08 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 3hwf s THR 136 Cb -0.09 -1.37 0.07 0.00 0.01 0.00 0.00 72.50 71.12 3hwf s THR 136 CO 0.02 0.44 0.80 -0.22 -0.69 0.00 0.00 174.62 174.96 3hwf s LEU 137 N 1.28 4.76 -0.17 4.42 0.20 0.93 -2.37 118.68 127.73 3hwf s LEU 137 Ca -0.00 -0.97 -0.20 0.00 0.69 0.00 0.00 54.13 53.64 3hwf s LEU 137 Cb -0.14 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.12 3hwf s LEU 137 CO -0.06 -1.16 0.58 -0.31 -0.29 0.00 0.00 176.35 175.11 3hwf s TYR 138 N 3.27 3.41 -0.09 5.38 2.02 0.21 -0.44 117.35 131.12 3hwf s TYR 138 Ca 0.19 0.91 0.02 0.00 -0.37 0.00 0.00 57.07 57.82 3hwf s TYR 138 Cb -0.19 -2.73 -0.02 0.00 -0.40 0.00 0.00 41.96 38.63 3hwf s TYR 138 CO 0.11 -0.08 -0.15 0.20 -1.57 0.00 0.00 175.55 174.06 3hwf s GLY 139 N 1.07 1.51 0.44 0.71 0.00 0.13 -0.05 107.32 111.12 3hwf s GLY 139 Ca 0.28 -0.94 0.20 0.00 0.00 0.00 0.00 44.72 44.26 3hwf s GLY 139 CO 0.11 -0.48 1.91 -0.09 0.00 0.00 0.00 173.10 174.55 3hwf h ARG 140 N 6.06 0.00 -5.87 2.90 9.65 -1.15 0.37 114.38 126.34 3hwf h ARG 140 Ca -0.35 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 57.96 3hwf h ARG 140 Cb 1.18 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.69 3hwf h ARG 140 CO 0.52 0.26 -0.45 0.95 2.80 0.00 0.00 179.97 184.05 3hwf s THR 141 N -4.07 2.12 0.08 0.20 -4.23 -1.26 -4.70 115.64 103.77 3hwf s THR 141 Ca -0.02 -1.65 0.16 0.00 -1.18 0.00 0.00 61.69 59.00 3hwf s THR 141 Cb 0.13 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 71.27 3hwf s THR 141 CO 0.66 0.00 1.60 0.11 -0.54 0.00 0.00 174.62 176.45 3hwf h LYS 142 N 1.26 0.00 -6.52 3.99 1.57 -1.93 -3.43 116.57 111.51 3hwf h LYS 142 Ca -0.42 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.69 3hwf h LYS 142 Cb 1.27 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.38 3hwf h LYS 142 CO 0.67 0.48 -0.77 -1.21 -0.57 0.00 0.00 179.45 178.05 3hwf s GLU 143 N -3.34 2.16 0.16 3.15 8.01 -1.26 -4.81 118.70 122.77 3hwf s GLU 143 Ca 0.01 -0.95 0.02 0.00 0.01 0.00 0.00 54.97 54.06 3hwf s GLU 143 Cb 0.10 -2.27 -0.04 0.00 -4.31 0.00 0.00 34.13 27.60 3hwf s GLU 143 CO 0.72 0.54 -0.01 -0.51 0.01 0.00 0.00 175.26 176.01 3hwf s LEU 144 N -1.65 2.19 0.69 1.80 1.43 -1.26 -4.97 118.68 116.91 3hwf s LEU 144 Ca 0.17 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 51.98 3hwf s LEU 144 Cb -0.11 -0.05 0.02 0.00 0.03 0.00 0.00 46.19 46.08 3hwf s LEU 144 CO 0.08 -0.55 1.16 0.42 0.23 0.00 0.00 176.35 177.69 3hwf s THR 145 N -3.66 2.76 0.31 5.49 -4.23 -1.26 -4.87 115.64 110.18 3hwf s THR 145 Ca 0.21 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3hwf s THR 145 Cb 0.06 -2.92 0.27 0.00 1.34 0.00 0.00 72.50 71.25 3hwf s THR 145 CO 0.02 -0.20 1.95 0.28 -0.54 0.00 0.00 174.62 176.13 3hwf h SER 146 N -0.05 0.88 0.05 3.99 0.02 -2.01 -2.10 113.55 114.33 3hwf h SER 146 Ca -0.47 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.49 3hwf h SER 146 Cb 1.27 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 3hwf h SER 146 CO 0.52 0.60 -0.32 -0.08 -1.14 0.00 0.00 176.83 176.42 3hwf h GLU 147 N 1.02 -0.48 -0.78 3.45 4.81 -1.99 0.12 114.58 120.73 3hwf h GLU 147 Ca 0.33 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 3hwf h GLU 147 Cb 0.05 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3hwf h GLU 147 CO -0.10 -0.32 0.40 -0.07 -0.73 0.00 0.00 179.01 178.19 3hwf h LEU 148 N -0.50 1.00 -0.33 1.64 3.38 -1.89 -1.34 115.31 117.27 3hwf h LEU 148 Ca 0.05 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3hwf h LEU 148 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hwf h LEU 148 CO -0.23 0.84 -0.33 0.11 0.09 0.00 0.00 178.44 178.91 3hwf h LYS 149 N 1.09 0.81 -0.25 1.13 1.57 -1.04 -1.68 116.57 118.20 3hwf h LYS 149 Ca 0.27 -0.43 -0.16 0.00 -1.87 0.00 0.00 60.65 58.46 3hwf h LYS 149 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hwf h LYS 149 CO -0.04 1.06 -0.50 0.93 -0.57 0.00 0.00 179.45 180.33 3hwf h GLU 150 N 0.59 0.69 -0.73 3.15 3.07 -0.72 -1.34 114.58 119.29 3hwf h GLU 150 Ca 0.05 -0.41 0.06 0.00 -0.50 0.00 0.00 59.36 58.57 3hwf h GLU 150 Cb 0.91 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.81 3hwf h GLU 150 CO 0.08 1.02 0.48 -0.97 -1.40 0.00 0.00 179.01 178.23 3hwf h ASN 151 N 0.54 0.67 -0.22 1.42 -1.24 -1.19 0.41 115.58 115.98 3hwf h ASN 151 Ca 0.02 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.86 3hwf h ASN 151 Cb 1.06 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.96 3hwf h ASN 151 CO 0.10 0.43 -0.53 0.15 -1.29 0.00 0.00 177.43 176.30 3hwf h PHE 152 N 0.76 1.01 -0.76 0.67 3.04 -0.99 -2.15 116.94 118.52 3hwf h PHE 152 Ca 0.31 -0.35 -0.04 0.00 3.98 0.00 0.00 57.97 61.87 3hwf h PHE 152 Cb 0.25 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.54 3hwf h PHE 152 CO -0.00 1.16 0.31 0.82 -2.02 0.00 0.00 178.31 178.58 3hwf h ILE 153 N 0.63 1.25 0.04 1.41 2.04 -0.39 -0.22 117.51 122.26 3hwf h ILE 153 Ca 0.02 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3hwf h ILE 153 Cb 1.12 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3hwf h ILE 153 CO 0.11 0.32 -0.02 0.03 0.00 0.00 0.00 178.15 178.60 3hwf h ARG 154 N 1.10 -0.05 -0.21 2.37 3.08 -0.89 -1.82 114.38 117.96 3hwf h ARG 154 Ca 0.26 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.31 3hwf h ARG 154 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3hwf h ARG 154 CO -0.02 0.06 0.13 0.35 -1.07 0.00 0.00 179.97 179.41 3hwf h PHE 155 N -0.14 0.24 -0.97 3.04 3.57 -1.17 0.19 116.94 121.70 3hwf h PHE 155 Ca -0.00 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.66 3hwf h PHE 155 Cb 0.13 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 3hwf h PHE 155 CO -0.04 0.15 0.61 0.77 -2.23 0.00 0.00 178.31 177.56 3hwf h SER 156 N 0.27 0.78 -0.10 0.41 0.02 -1.01 -0.88 113.55 113.04 3hwf h SER 156 Ca 0.08 0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 3hwf h SER 156 Cb -0.01 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3hwf h SER 156 CO -0.03 0.36 -0.70 0.11 -1.14 0.00 0.00 176.83 175.43 3hwf h LYS 157 N 0.81 0.73 -0.14 3.45 1.57 -0.64 -2.43 116.57 119.91 3hwf h LYS 157 Ca 0.51 -0.55 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3hwf h LYS 157 Cb 0.72 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3hwf h LYS 157 CO -0.28 1.17 0.29 0.66 -0.57 0.00 0.00 179.45 180.72 3hwf h SER 158 N 0.52 0.00 -0.74 0.86 4.64 0.79 0.28 113.55 119.91 3hwf h SER 158 Ca -0.03 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.93 3hwf h SER 158 Cb 1.31 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.18 3hwf h SER 158 CO 0.14 0.00 0.35 0.18 -0.87 0.00 0.00 176.83 176.64 3hwf n LEU 159 N -3.32 5.73 0.00 5.97 4.77 -0.99 -4.96 117.00 124.19 3hwf n LEU 159 Ca 0.01 -3.63 0.00 0.00 -0.03 0.00 0.00 56.01 52.36 3hwf n LEU 159 Cb 0.39 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3hwf n LEU 159 CO 0.21 1.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 3hwf n GLY 160 N -1.04 0.62 3.66 -0.72 0.00 0.99 -4.71 105.19 103.99 3hwf n GLY 160 Ca 0.48 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.10 3hwf n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwf s LEU 161 N 0.00 4.16 0.88 0.99 1.43 -0.92 -5.00 118.68 120.22 3hwf s LEU 161 Ca 0.00 0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3hwf s LEU 161 Cb 0.00 -2.94 0.12 0.00 0.03 0.00 0.00 46.19 43.41 3hwf s LEU 161 CO 0.00 -0.27 1.12 -2.16 0.23 0.00 0.00 176.35 175.27 3hwf s PRO 162 N 1.86 1.36 0.45 1.29 0.04 -1.26 -3.74 135.00 135.00 3hwf s PRO 162 Ca 0.30 0.40 0.13 0.00 0.04 0.00 0.00 61.00 61.87 3hwf s PRO 162 Cb -0.16 -1.86 1.05 0.00 0.04 0.00 0.00 34.50 33.58 3hwf s PRO 162 CO 0.11 -2.07 2.04 1.05 0.04 0.00 0.00 177.00 178.17 3hwf h GLU 163 N -1.41 0.33 0.00 4.56 9.09 -1.96 -1.07 114.58 124.12 3hwf h GLU 163 Ca -0.50 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.89 3hwf h GLU 163 Cb 1.31 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3hwf h GLU 163 CO 0.61 0.22 0.00 0.27 0.05 0.00 0.00 179.01 180.16 3hwf n ASN 164 N -4.48 0.00 -1.43 3.06 6.94 -1.26 -2.07 115.26 116.02 3hwf n ASN 164 Ca 0.05 -0.82 0.08 0.00 -0.02 0.00 0.00 54.58 53.87 3hwf n ASN 164 Cb 0.24 -0.06 0.33 0.00 -2.36 0.00 0.00 39.78 37.93 3hwf n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3hwf n HIS 165 N -1.06 1.41 -3.96 -2.53 8.25 -0.40 -1.57 115.22 115.36 3hwf n HIS 165 Ca 0.22 -0.67 -0.29 0.00 -0.26 0.00 0.00 57.72 56.72 3hwf n HIS 165 Cb 0.14 -0.29 -0.17 0.00 1.12 0.00 0.00 29.99 30.79 3hwf n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hwf s ILE 166 N -2.12 1.32 0.25 1.59 1.01 -0.88 -2.40 121.20 119.97 3hwf s ILE 166 Ca 0.48 -0.53 0.11 0.00 0.00 0.00 0.00 60.65 60.71 3hwf s ILE 166 Cb 0.33 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3hwf s ILE 166 CO 0.19 0.37 -0.20 0.68 0.00 0.00 0.00 174.94 175.98 3hwf s VAL 167 N 1.58 2.32 -0.38 2.92 -7.23 0.14 -4.78 120.40 114.97 3hwf s VAL 167 Ca 0.04 -2.30 0.02 0.00 -1.81 0.00 0.00 61.98 57.93 3hwf s VAL 167 Cb -0.13 -2.21 0.11 0.00 0.56 0.00 0.00 36.38 34.71 3hwf s VAL 167 CO -0.09 -0.38 0.14 -0.36 -0.31 0.00 0.00 175.10 174.09 3hwf s PHE 168 N -2.43 2.62 0.24 2.82 0.40 -1.26 -0.77 117.98 119.59 3hwf s PHE 168 Ca 0.27 -2.49 -0.31 0.00 -0.60 0.00 0.00 56.93 53.80 3hwf s PHE 168 Cb -0.05 -2.29 -0.13 0.00 0.51 0.00 0.00 43.02 41.06 3hwf s PHE 168 CO 0.13 -0.86 1.44 -2.30 0.70 0.00 0.00 175.22 174.33 3hwf n PRO 169 N 4.13 2.11 -2.52 0.24 -0.02 -1.24 -4.92 135.00 132.78 3hwf n PRO 169 Ca 0.03 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 3hwf n PRO 169 Cb 0.39 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3hwf n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hwf s VAL 170 N 0.06 4.35 0.35 -1.45 0.11 -0.73 -4.45 120.40 118.63 3hwf s VAL 170 Ca 0.69 1.68 -0.27 0.00 -2.93 0.00 0.00 61.98 61.15 3hwf s VAL 170 Cb -0.64 -4.08 -0.12 0.00 -1.53 0.00 0.00 36.38 30.01 3hwf s VAL 170 CO 0.48 0.08 1.11 -2.65 -3.33 0.00 0.00 175.10 170.80 3hwf n PRO 171 N 4.41 1.64 -4.25 1.54 -0.02 -1.26 -1.49 135.00 135.57 3hwf n PRO 171 Ca 0.09 0.58 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 3hwf n PRO 171 Cb 0.47 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 3hwf n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hwf s ILE 172 N -1.14 0.63 -0.59 4.25 -4.36 -1.26 -4.85 121.20 113.88 3hwf s ILE 172 Ca 0.59 -1.98 0.15 0.00 -0.26 0.00 0.00 60.65 59.14 3hwf s ILE 172 Cb -0.61 -2.19 -0.17 0.00 1.25 0.00 0.00 42.46 40.74 3hwf s ILE 172 CO 0.60 -0.41 0.58 0.47 0.24 0.00 0.00 174.94 176.42 3hwf n ASP 173 N -0.26 0.82 -4.73 4.36 10.43 -1.26 -4.83 116.55 121.07 3hwf n ASP 173 Ca -0.06 -0.72 -0.41 0.00 2.57 0.00 0.00 54.79 56.17 3hwf n ASP 173 Cb 0.64 1.10 -0.04 0.00 1.84 0.00 0.00 41.12 44.66 3hwf n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hwf s GLN 174 N -2.49 4.54 0.00 -1.24 1.11 -1.26 -4.10 119.66 116.23 3hwf s GLN 174 Ca 0.04 1.71 0.00 0.00 0.01 0.00 0.00 55.36 57.12 3hwf s GLN 174 Cb 0.11 -3.31 0.00 0.00 -1.01 0.00 0.00 33.01 28.80 3hwf s GLN 174 CO 0.61 -0.03 0.00 0.00 0.01 0.00 0.00 175.29 175.88 3hwf n ILE 176 N -0.12 2.14 -0.84 0.00 -5.35 -1.26 -4.93 119.36 108.99 3hwf n ILE 176 Ca 0.00 -1.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 3hwf n ILE 176 Cb 0.00 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 3hwf n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26