#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwe s SER 5 N 0.00 -0.68 -0.06 3.42 0.15 -1.26 -5.15 113.70 110.12 3hwe s SER 5 Ca 0.00 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.66 3hwe s SER 5 Cb 0.00 0.95 0.03 0.00 -1.71 0.00 0.00 66.02 65.30 3hwe s SER 5 CO 0.00 -0.42 0.06 -1.81 1.20 0.00 0.00 173.24 172.26 3hwe s ASP 6 N -0.44 1.33 -0.03 5.45 -0.00 -1.26 -5.15 116.67 116.57 3hwe s ASP 6 Ca -0.05 -0.02 0.06 0.00 -0.00 0.00 0.00 52.55 52.54 3hwe s ASP 6 Cb -0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 42.92 42.70 3hwe s ASP 6 CO 0.05 -0.26 -0.22 -0.76 -0.00 0.00 0.00 175.17 173.99 3hwe s LEU 7 N 2.14 2.03 0.16 1.23 1.43 -1.26 -5.06 118.68 119.36 3hwe s LEU 7 Ca 0.05 -0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 3hwe s LEU 7 Cb -0.13 -1.15 -0.10 0.00 0.03 0.00 0.00 46.19 44.85 3hwe s LEU 7 CO -0.04 0.25 1.52 -0.63 0.23 0.00 0.00 176.35 177.68 3hwe s ILE 8 N -0.40 2.76 0.67 -0.59 1.01 -1.26 -4.94 121.20 118.45 3hwe s ILE 8 Ca 0.05 0.56 -0.16 0.00 0.00 0.00 0.00 60.65 61.10 3hwe s ILE 8 Cb -0.10 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 39.03 3hwe s ILE 8 CO 0.00 0.05 1.20 -2.84 0.00 0.00 0.00 174.94 173.35 3hwe s PRO 9 N 0.95 2.51 0.30 2.79 0.02 -1.26 -4.83 135.00 135.48 3hwe s PRO 9 Ca 0.68 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 3hwe s PRO 9 Cb -0.42 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 3hwe s PRO 9 CO 0.32 -1.55 1.31 0.00 -0.33 0.00 0.00 177.00 176.76 3hwe s ALA 10 N -1.88 3.51 0.65 -1.55 0.00 -1.26 -4.99 121.76 116.24 3hwe s ALA 10 Ca 0.75 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.81 3hwe s ALA 10 Cb -0.29 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 3hwe s ALA 10 CO 0.41 -0.61 1.05 -1.25 0.00 0.00 0.00 175.76 175.36 3hwe s PRO 11 N -1.35 3.18 0.39 0.00 0.04 -1.26 -4.99 135.00 131.01 3hwe s PRO 11 Ca 0.51 0.97 -0.27 0.00 0.04 0.00 0.00 61.00 62.25 3hwe s PRO 11 Cb -0.39 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 3hwe s PRO 11 CO 0.49 -0.91 1.34 -1.25 0.04 0.00 0.00 177.00 176.71 3hwe s PRO 12 N -4.82 4.03 0.65 0.56 0.04 -1.26 -4.87 135.00 129.33 3hwe s PRO 12 Ca 0.59 2.25 0.42 0.00 0.04 0.00 0.00 61.00 64.30 3hwe s PRO 12 Cb -0.14 -2.83 2.30 0.00 0.04 0.00 0.00 34.50 33.87 3hwe s PRO 12 CO 0.50 -0.48 2.34 -0.07 0.04 0.00 0.00 177.00 179.33 3hwe h LEU 13 N 2.81 0.00 -2.04 -3.56 4.07 -1.95 -2.30 115.31 112.35 3hwe h LEU 13 Ca -0.50 0.00 0.11 0.00 0.08 0.00 0.00 57.88 57.58 3hwe h LEU 13 Cb 1.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.97 3hwe h LEU 13 CO 0.63 0.00 0.38 0.77 -1.08 0.00 0.00 178.44 179.14 3hwe h SER 14 N 0.00 0.00 -0.68 -0.43 4.64 -2.03 -2.17 113.55 112.87 3hwe h SER 14 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3hwe h SER 14 Cb 0.02 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.76 3hwe h SER 14 CO 0.00 0.00 -0.59 2.29 -0.87 0.00 0.00 176.83 177.66 3hwe n LYS 15 N -3.87 3.24 -3.96 4.77 2.85 -0.86 -4.82 118.16 115.51 3hwe n LYS 15 Ca 0.07 -3.95 -0.31 0.00 -1.05 0.00 0.00 58.31 53.07 3hwe n LYS 15 Cb 0.55 -2.19 -0.15 0.00 -0.65 0.00 0.00 35.03 32.59 3hwe n LYS 15 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3hwe s VAL 16 N -4.42 1.95 0.86 0.58 1.01 -0.82 -4.94 120.40 114.62 3hwe s VAL 16 Ca 0.51 -2.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.26 3hwe s VAL 16 Cb 0.42 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 34.42 3hwe s VAL 16 CO 0.02 -0.59 0.82 -2.65 0.00 0.00 0.00 175.10 172.70 3hwe n PRO 17 N 4.40 -0.08 -5.07 2.72 -0.02 -1.26 -5.02 135.00 130.67 3hwe n PRO 17 Ca 0.02 0.04 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 3hwe n PRO 17 Cb 0.42 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.60 3hwe n PRO 17 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hwe s LEU 18 N -3.45 2.30 -0.02 2.45 2.96 -1.26 -4.10 118.68 117.57 3hwe s LEU 18 Ca 0.65 -0.48 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 3hwe s LEU 18 Cb -0.26 -1.48 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 3hwe s LEU 18 CO 0.59 0.16 2.00 -1.58 -1.32 0.00 0.00 176.35 176.20 3hwe s GLN 19 N 0.33 3.96 0.45 1.98 2.00 0.14 -4.94 119.66 123.58 3hwe s GLN 19 Ca -0.16 2.48 -0.24 0.00 -2.00 0.00 0.00 55.36 55.44 3hwe s GLN 19 Cb -0.17 -4.19 -0.07 0.00 0.80 0.00 0.00 33.01 29.37 3hwe s GLN 19 CO 0.08 -1.16 1.29 1.14 -0.50 0.00 0.00 175.29 176.13 3hwe s GLN 20 N 4.79 3.71 -0.85 1.67 -2.07 -1.26 -3.97 119.66 121.67 3hwe s GLN 20 Ca 0.90 2.09 -0.04 0.00 -1.82 0.00 0.00 55.36 56.49 3hwe s GLN 20 Cb -0.40 -2.55 -0.00 0.00 -1.09 0.00 0.00 33.01 28.96 3hwe s GLN 20 CO 0.40 -0.69 0.69 0.09 -1.32 0.00 0.00 175.29 174.46 3hwe n ASN 21 N -0.31 -6.26 -4.67 12.60 3.02 -1.26 -4.85 115.26 113.53 3hwe n ASN 21 Ca 0.06 -0.59 -0.43 0.00 -0.03 0.00 0.00 54.58 53.60 3hwe n ASN 21 Cb 0.45 -3.64 -0.02 0.00 -0.61 0.00 0.00 39.78 35.95 3hwe n ASN 21 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3hwe s PHE 22 N -3.09 3.15 -0.71 3.10 2.19 -1.25 -4.98 117.98 116.38 3hwe s PHE 22 Ca 0.10 1.27 -0.15 0.00 0.33 0.00 0.00 56.93 58.48 3hwe s PHE 22 Cb -0.03 -3.37 0.18 0.00 -1.31 0.00 0.00 43.02 38.49 3hwe s PHE 22 CO 0.82 -1.04 0.67 -0.65 1.83 0.00 0.00 175.22 176.85 3hwe s GLN 23 N 2.99 3.36 0.22 10.12 -1.52 -1.26 -4.85 119.66 128.72 3hwe s GLN 23 Ca 0.51 -2.15 -0.09 0.00 -1.95 0.00 0.00 55.36 51.68 3hwe s GLN 23 Cb -0.20 -4.38 0.21 0.00 -0.22 0.00 0.00 33.01 28.42 3hwe s GLN 23 CO 0.13 -1.31 1.89 0.38 -0.25 0.00 0.00 175.29 176.13 3hwe h ASP 24 N 8.23 0.93 -0.93 5.90 2.03 -1.99 -2.10 116.42 128.49 3hwe h ASP 24 Ca -0.05 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 3hwe h ASP 24 Cb 1.06 -0.22 -0.05 0.00 -0.83 0.00 0.00 39.33 39.29 3hwe h ASP 24 CO 0.87 0.66 0.59 -0.55 -1.03 0.00 0.00 179.24 179.78 3hwe h ASN 25 N 1.09 1.09 1.05 4.15 -1.07 -1.99 -2.44 115.58 117.46 3hwe h ASN 25 Ca 0.31 -0.04 -0.03 0.00 0.07 0.00 0.00 56.30 56.61 3hwe h ASN 25 Cb -0.08 -0.27 -0.00 0.00 -2.07 0.00 0.00 38.32 35.89 3hwe h ASN 25 CO -0.08 0.81 -0.14 1.56 0.07 0.00 0.00 177.43 179.65 3hwe h GLN 26 N 1.27 0.00 -0.00 4.14 4.20 -1.82 -2.81 115.11 120.09 3hwe h GLN 26 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 3hwe h GLN 26 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3hwe h GLN 26 CO -0.07 0.14 -0.11 0.34 -0.67 0.00 0.00 178.83 178.46 3hwe n PHE 27 N -3.26 0.00 -1.42 2.96 -0.00 -0.93 -4.83 117.46 109.98 3hwe n PHE 27 Ca 0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.12 3hwe n PHE 27 Cb 0.40 -0.28 0.09 0.00 -0.00 0.00 0.00 39.48 39.70 3hwe n PHE 27 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3hwe s GLN 28 N -2.66 2.15 0.00 -4.13 -0.21 -1.06 -4.79 119.66 108.95 3hwe s GLN 28 Ca 0.24 1.68 0.00 0.00 0.02 0.00 0.00 55.36 57.29 3hwe s GLN 28 Cb 0.20 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.36 3hwe s GLN 28 CO 0.51 -1.81 0.00 0.41 -2.12 0.00 0.00 175.29 172.28 3hwe n GLY 29 N 0.21 -0.39 3.73 3.09 0.00 0.61 -4.93 105.19 107.51 3hwe n GLY 29 Ca 0.13 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 3hwe n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hwe s LYS 30 N -0.61 4.69 -0.02 1.61 2.20 -1.26 -1.74 119.74 124.61 3hwe s LYS 30 Ca 0.00 1.50 0.06 0.00 -0.36 0.00 0.00 55.97 57.17 3hwe s LYS 30 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3hwe s LYS 30 CO 0.00 0.21 -0.19 -1.58 -0.36 0.00 0.00 175.35 173.42 3hwe s TRP 31 N -0.10 1.74 -0.13 4.03 0.52 -0.44 -4.83 118.94 119.72 3hwe s TRP 31 Ca 0.47 -0.34 -0.13 0.00 0.02 0.00 0.00 56.10 56.12 3hwe s TRP 31 Cb -0.25 -1.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.90 3hwe s TRP 31 CO 0.31 -0.04 0.30 0.71 0.02 0.00 0.00 176.95 178.25 3hwe s TYR 32 N -0.44 3.51 -0.94 -1.98 2.02 0.78 -1.07 117.35 119.23 3hwe s TYR 32 Ca 0.07 0.65 -0.24 0.00 -0.37 0.00 0.00 57.07 57.18 3hwe s TYR 32 Cb -0.08 -2.31 0.04 0.00 -0.40 0.00 0.00 41.96 39.22 3hwe s TYR 32 CO -0.01 0.33 1.44 0.08 -1.57 0.00 0.00 175.55 175.83 3hwe s VAL 33 N 0.14 3.84 -0.17 0.71 1.01 -0.43 0.10 120.40 125.61 3hwe s VAL 33 Ca 0.18 -0.46 0.20 0.00 0.00 0.00 0.00 61.98 61.89 3hwe s VAL 33 Cb -0.13 -4.96 -0.09 0.00 0.00 0.00 0.00 36.38 31.20 3hwe s VAL 33 CO 0.05 -1.85 0.88 1.33 0.00 0.00 0.00 175.10 175.51 3hwe n VAL 34 N 6.83 0.85 -4.27 2.92 0.24 -0.45 -4.41 118.33 120.04 3hwe n VAL 34 Ca 0.26 -0.62 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 3hwe n VAL 34 Cb 0.50 -0.50 -0.15 0.00 -1.47 0.00 0.00 33.84 32.23 3hwe n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hwe s GLY 35 N -4.60 0.37 -0.06 7.63 0.00 -0.99 -3.63 107.32 106.05 3hwe s GLY 35 Ca -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 3hwe s GLY 35 CO 0.81 -0.19 0.10 -2.27 0.00 0.00 0.00 173.10 171.55 3hwe s LEU 36 N -0.06 0.19 0.04 0.66 0.20 0.16 0.02 118.68 119.89 3hwe s LEU 36 Ca 0.01 0.19 -0.05 0.00 0.69 0.00 0.00 54.13 54.97 3hwe s LEU 36 Cb -0.04 0.05 -0.01 0.00 -0.43 0.00 0.00 46.19 45.76 3hwe s LEU 36 CO -0.00 -0.23 0.09 0.00 -0.29 0.00 0.00 176.35 175.91 3hwe s ALA 37 N 2.05 -0.02 0.00 5.97 0.00 -0.71 0.56 121.76 129.61 3hwe s ALA 37 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3hwe s ALA 37 Cb -0.12 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3hwe s ALA 37 CO -0.04 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3hwe n GLY 38 N 0.70 0.61 0.22 0.00 0.00 -1.07 -0.41 105.19 105.24 3hwe n GLY 38 Ca -0.18 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.84 3hwe n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hwe h ASN 39 N 0.00 0.00 -0.02 1.61 -1.07 -1.79 -2.94 115.58 111.38 3hwe h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3hwe h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3hwe h ASN 39 CO 0.00 0.09 -0.39 0.00 0.07 0.00 0.00 177.43 177.19 3hwe n ALA 40 N -2.13 3.35 -2.72 4.14 0.00 -1.26 -4.63 120.51 117.27 3hwe n ALA 40 Ca 0.03 -0.62 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 3hwe n ALA 40 Cb 0.50 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 3hwe n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hwe s ILE 41 N -2.27 5.17 -0.03 0.00 -1.09 -1.11 -5.07 121.20 116.81 3hwe s ILE 41 Ca 0.18 1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 59.61 3hwe s ILE 41 Cb 0.17 -3.85 0.03 0.00 -1.58 0.00 0.00 42.46 37.23 3hwe s ILE 41 CO 0.50 0.30 0.05 -0.22 -1.23 0.00 0.00 174.94 174.34 3hwe s LEU 42 N 0.74 1.11 0.17 2.97 2.96 -1.26 -4.35 118.68 121.02 3hwe s LEU 42 Ca 0.27 0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 53.96 3hwe s LEU 42 Cb -0.15 0.01 -0.09 0.00 0.50 0.00 0.00 46.19 46.46 3hwe s LEU 42 CO 0.11 -0.12 1.37 0.00 -1.32 0.00 0.00 176.35 176.39 3hwe s ARG 43 N 0.98 4.34 -0.33 1.98 1.70 -0.44 -5.01 118.95 122.17 3hwe s ARG 43 Ca -0.08 2.12 -0.00 0.00 -0.47 0.00 0.00 55.73 57.29 3hwe s ARG 43 Cb -0.11 -3.20 0.11 0.00 -0.57 0.00 0.00 34.95 31.18 3hwe s ARG 43 CO -0.03 -0.36 0.13 -1.21 -1.08 0.00 0.00 175.30 172.75 3hwe s GLU 44 N 0.35 0.76 0.43 3.89 8.01 -1.26 -5.00 118.70 125.88 3hwe s GLU 44 Ca 0.61 -1.21 0.21 0.00 0.01 0.00 0.00 54.97 54.58 3hwe s GLU 44 Cb -0.38 -1.94 0.94 0.00 -4.31 0.00 0.00 34.13 28.45 3hwe s GLU 44 CO 0.36 -1.04 1.86 -0.44 0.01 0.00 0.00 175.26 176.02 3hwe h ASP 45 N 7.80 0.00 0.14 -0.19 5.19 -1.99 -1.84 116.42 125.54 3hwe h ASP 45 Ca -0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 3hwe h ASP 45 Cb 1.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3hwe h ASP 45 CO 0.46 0.28 -0.07 0.11 -3.12 0.00 0.00 179.24 176.90 3hwe h LYS 46 N 0.00 -0.18 -2.66 3.56 1.57 -2.04 -3.38 116.57 113.45 3hwe h LYS 46 Ca -0.00 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.19 3hwe h LYS 46 Cb 0.66 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.62 3hwe h LYS 46 CO 0.04 -0.10 -0.82 0.34 -0.57 0.00 0.00 179.45 178.33 3hwe s ASP 47 N -5.05 2.77 0.50 0.86 2.15 -1.09 -5.13 116.67 111.68 3hwe s ASP 47 Ca -0.14 -3.29 -0.23 0.00 0.43 0.00 0.00 52.55 49.33 3hwe s ASP 47 Cb 0.05 -0.88 -0.06 0.00 -0.30 0.00 0.00 42.92 41.73 3hwe s ASP 47 CO 0.65 -0.15 1.34 -2.84 -0.17 0.00 0.00 175.17 174.00 3hwe s PRO 48 N -0.41 3.40 0.11 4.34 0.02 -0.71 -4.74 135.00 137.00 3hwe s PRO 48 Ca 0.29 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 63.20 3hwe s PRO 48 Cb -0.02 -2.40 -0.10 0.00 0.02 0.00 0.00 34.50 32.01 3hwe s PRO 48 CO -0.17 -0.97 1.88 0.94 -0.33 0.00 0.00 177.00 178.35 3hwe n GLN 49 N -0.70 2.85 -2.78 5.54 -0.06 -1.26 -4.92 117.38 116.06 3hwe n GLN 49 Ca 0.08 1.04 -0.36 0.00 -2.00 0.00 0.00 57.00 55.76 3hwe n GLN 49 Cb 0.45 -2.96 -0.06 0.00 -4.06 0.00 0.00 30.24 23.60 3hwe n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3hwe s LYS 50 N 3.19 4.50 0.58 3.69 1.02 -1.26 -1.30 119.74 130.16 3hwe s LYS 50 Ca 0.84 1.29 -0.19 0.00 0.02 0.00 0.00 55.97 57.93 3hwe s LYS 50 Cb -0.46 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 3hwe s LYS 50 CO 0.38 0.20 1.21 1.41 -0.92 0.00 0.00 175.35 177.63 3hwe s MET 51 N -2.29 3.05 0.25 1.68 -2.45 -0.60 -4.71 119.30 114.24 3hwe s MET 51 Ca 0.53 1.83 0.01 0.00 -1.25 0.00 0.00 55.69 56.80 3hwe s MET 51 Cb -0.17 -1.97 -0.03 0.00 1.25 0.00 0.00 34.83 33.91 3hwe s MET 51 CO 0.22 -1.14 0.22 1.52 1.05 0.00 0.00 175.02 176.88 3hwe s TYR 52 N -1.59 1.32 0.04 4.11 1.13 -1.26 -4.70 117.35 116.40 3hwe s TYR 52 Ca 0.76 -1.44 0.05 0.00 -1.41 0.00 0.00 57.07 55.03 3hwe s TYR 52 Cb -0.30 -0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 39.99 3hwe s TYR 52 CO 0.33 -0.77 -0.14 0.00 -2.51 0.00 0.00 175.55 172.46 3hwe s ALA 53 N -3.85 1.19 -0.11 9.51 0.00 -0.89 -1.32 121.76 126.30 3hwe s ALA 53 Ca 0.38 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3hwe s ALA 53 Cb 0.05 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3hwe s ALA 53 CO 0.18 0.23 -0.10 0.99 0.00 0.00 0.00 175.76 177.05 3hwe s THR 54 N -0.86 1.17 -0.23 0.00 2.01 -0.23 -0.32 115.64 117.17 3hwe s THR 54 Ca 0.02 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 3hwe s THR 54 Cb -0.08 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 3hwe s THR 54 CO 0.01 0.38 0.11 -0.63 -0.69 0.00 0.00 174.62 173.81 3hwe s ILE 55 N 1.35 4.88 -0.22 1.82 1.09 0.14 -1.33 121.20 128.93 3hwe s ILE 55 Ca -0.01 0.01 -0.07 0.00 -1.10 0.00 0.00 60.65 59.49 3hwe s ILE 55 Cb -0.14 -3.27 -0.03 0.00 -1.06 0.00 0.00 42.46 37.97 3hwe s ILE 55 CO -0.05 0.36 0.06 -0.31 -0.10 0.00 0.00 174.94 174.89 3hwe s TYR 56 N 1.15 3.12 -0.07 3.97 2.02 -0.71 -0.99 117.35 125.83 3hwe s TYR 56 Ca 0.06 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3hwe s TYR 56 Cb -0.14 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.28 3hwe s TYR 56 CO 0.04 -0.19 0.01 -1.83 -1.57 0.00 0.00 175.55 172.02 3hwe s GLU 57 N 1.14 0.48 0.55 -0.62 1.03 -1.18 -0.28 118.70 119.82 3hwe s GLU 57 Ca 0.04 0.14 -0.19 0.00 0.03 0.00 0.00 54.97 54.99 3hwe s GLU 57 Cb -0.14 -0.92 -0.05 0.00 -0.80 0.00 0.00 34.13 32.21 3hwe s GLU 57 CO 0.03 -0.32 1.15 -0.51 -1.33 0.00 0.00 175.26 174.28 3hwe s LEU 58 N 2.01 3.74 0.00 1.83 1.43 -1.26 -0.63 118.68 125.80 3hwe s LEU 58 Ca 0.05 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.43 3hwe s LEU 58 Cb -0.12 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.57 3hwe s LEU 58 CO -0.05 -1.29 0.34 0.29 0.23 0.00 0.00 176.35 175.87 3hwe n LYS 59 N -1.32 0.80 -0.23 1.70 5.02 -0.56 -4.89 118.16 118.68 3hwe n LYS 59 Ca 0.12 -2.94 0.03 0.00 -2.02 0.00 0.00 58.31 53.50 3hwe n LYS 59 Cb 0.50 0.33 0.15 0.00 -0.02 0.00 0.00 35.03 35.99 3hwe n LYS 59 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3hwe h GLU 60 N 0.00 0.39 -0.14 1.97 4.11 -1.97 -1.22 114.58 117.71 3hwe h GLU 60 Ca -0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.11 3hwe h GLU 60 Cb 1.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3hwe h GLU 60 CO 0.47 0.26 0.00 -0.40 0.07 0.00 0.00 179.01 179.41 3hwe n ASP 61 N -5.02 0.55 -1.37 3.06 5.75 -1.26 -4.89 116.55 113.36 3hwe n ASP 61 Ca 0.12 -2.01 -0.17 0.00 -0.01 0.00 0.00 54.79 52.72 3hwe n ASP 61 Cb 0.36 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 3hwe n ASP 61 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hwe n LYS 62 N -0.22 -1.18 -2.86 0.11 4.76 -0.46 -5.01 118.16 113.30 3hwe n LYS 62 Ca 0.03 1.04 -0.30 0.00 -2.87 0.00 0.00 58.31 56.22 3hwe n LYS 62 Cb 0.09 -5.28 -0.03 0.00 -1.84 0.00 0.00 35.03 27.98 3hwe n LYS 62 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3hwe s SER 63 N -2.73 6.47 0.02 4.39 0.01 -1.26 -4.71 113.70 115.88 3hwe s SER 63 Ca 0.00 1.06 -0.17 0.00 1.31 0.00 0.00 55.95 58.15 3hwe s SER 63 Cb 0.00 -2.30 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 3hwe s SER 63 CO 0.00 -0.41 0.48 -0.31 0.41 0.00 0.00 173.24 173.41 3hwe s TYR 64 N -2.41 3.74 -0.59 2.43 4.12 -0.45 -1.49 117.35 122.70 3hwe s TYR 64 Ca 0.50 1.10 -0.17 0.00 0.02 0.00 0.00 57.07 58.52 3hwe s TYR 64 Cb -0.10 -2.40 0.13 0.00 -1.52 0.00 0.00 41.96 38.07 3hwe s TYR 64 CO 0.34 0.58 0.60 1.21 0.02 0.00 0.00 175.55 178.30 3hwe s ASN 65 N -0.94 6.24 -0.25 2.29 3.04 0.19 -1.76 114.94 123.76 3hwe s ASN 65 Ca 0.26 -1.76 -0.19 0.00 0.04 0.00 0.00 52.86 51.22 3hwe s ASN 65 Cb -0.18 -2.24 -0.03 0.00 -1.54 0.00 0.00 41.25 37.26 3hwe s ASN 65 CO 0.15 -0.92 0.55 -0.69 -3.04 0.00 0.00 177.10 173.15 3hwe s VAL 66 N 1.86 5.05 -0.21 -5.21 1.01 0.60 -3.12 120.40 120.37 3hwe s VAL 66 Ca 0.08 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.05 3hwe s VAL 66 Cb -0.26 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.29 3hwe s VAL 66 CO 0.03 0.08 -0.14 -0.89 0.00 0.00 0.00 175.10 174.18 3hwe s THR 67 N 2.25 1.96 -0.07 3.92 2.01 -0.17 -1.12 115.64 124.43 3hwe s THR 67 Ca 0.23 -1.16 -0.14 0.00 0.31 0.00 0.00 61.69 60.93 3hwe s THR 67 Cb -0.16 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 3hwe s THR 67 CO 0.09 0.26 0.35 -0.44 -0.69 0.00 0.00 174.62 174.19 3hwe s SER 68 N 1.27 6.64 -0.15 3.53 0.01 0.37 0.24 113.70 125.62 3hwe s SER 68 Ca -0.01 0.76 0.02 0.00 1.31 0.00 0.00 55.95 58.03 3hwe s SER 68 Cb -0.16 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 63.87 3hwe s SER 68 CO -0.09 0.24 -0.20 0.54 0.41 0.00 0.00 173.24 174.13 3hwe s VAL 69 N -0.45 1.95 0.05 3.43 0.11 0.56 -0.76 120.40 125.28 3hwe s VAL 69 Ca 0.21 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 3hwe s VAL 69 Cb -0.15 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 3hwe s VAL 69 CO 0.09 0.53 -0.07 -1.48 -3.33 0.00 0.00 175.10 170.84 3hwe s LEU 70 N 1.00 2.31 -0.43 2.54 0.05 -0.78 -2.10 118.68 121.26 3hwe s LEU 70 Ca -0.03 -0.64 -0.17 0.00 0.05 0.00 0.00 54.13 53.34 3hwe s LEU 70 Cb -0.15 -0.12 0.03 0.00 -2.05 0.00 0.00 46.19 43.90 3hwe s LEU 70 CO -0.05 -0.27 0.41 0.12 -0.55 0.00 0.00 176.35 176.01 3hwe s PHE 71 N -1.85 3.19 -0.05 3.48 5.36 -1.26 -0.66 117.98 126.19 3hwe s PHE 71 Ca -0.06 -0.51 -0.03 0.00 -0.96 0.00 0.00 56.93 55.37 3hwe s PHE 71 Cb -0.07 -2.89 0.02 0.00 -0.34 0.00 0.00 43.02 39.74 3hwe s PHE 71 CO -0.01 -0.71 0.11 1.03 -1.46 0.00 0.00 175.22 174.19 3hwe s ARG 72 N 1.99 0.09 -1.43 10.12 3.00 0.18 -4.88 118.95 128.03 3hwe s ARG 72 Ca 0.09 0.24 -0.10 0.00 0.00 0.00 0.00 55.73 55.96 3hwe s ARG 72 Cb -0.19 -0.06 0.04 0.00 0.00 0.00 0.00 34.95 34.74 3hwe s ARG 72 CO 0.12 -0.09 1.05 0.36 0.00 0.00 0.00 175.30 176.74 3hwe n LYS 73 N 3.60 -6.58 -1.87 3.54 -0.00 -1.26 -1.72 118.16 113.87 3hwe n LYS 73 Ca -0.19 0.71 -0.20 0.00 -0.00 0.00 0.00 58.31 58.62 3hwe n LYS 73 Cb 0.55 -5.66 -0.06 0.00 -0.00 0.00 0.00 35.03 29.87 3hwe n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3hwe n LYS 74 N -4.77 -1.47 -4.21 -1.58 4.76 -1.26 -4.98 118.16 104.65 3hwe n LYS 74 Ca -0.01 1.12 -0.12 0.00 -2.87 0.00 0.00 58.31 56.43 3hwe n LYS 74 Cb 0.56 -5.57 -0.10 0.00 -1.84 0.00 0.00 35.03 28.08 3hwe n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3hwe s LYS 75 N -4.18 1.07 -0.21 1.97 1.02 -0.70 -5.14 119.74 113.57 3hwe s LYS 75 Ca 0.00 -1.52 -0.14 0.00 0.02 0.00 0.00 55.97 54.33 3hwe s LYS 75 Cb 0.00 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 3hwe s LYS 75 CO 0.00 -0.22 0.32 0.00 -0.92 0.00 0.00 175.35 174.53 3hwe s ASP 77 N 0.98 4.73 -0.39 0.00 -0.00 0.16 -4.96 116.67 117.19 3hwe s ASP 77 Ca 0.15 -0.05 -0.02 0.00 -0.00 0.00 0.00 52.55 52.64 3hwe s ASP 77 Cb -0.14 -1.41 0.10 0.00 -0.00 0.00 0.00 42.92 41.48 3hwe s ASP 77 CO 0.06 0.30 0.16 -0.31 -0.00 0.00 0.00 175.17 175.38 3hwe s TYR 78 N -0.42 3.59 -0.40 4.23 2.02 -1.26 -1.87 117.35 123.24 3hwe s TYR 78 Ca 0.06 -2.47 -0.21 0.00 -0.37 0.00 0.00 57.07 54.08 3hwe s TYR 78 Cb -0.12 -3.07 0.01 0.00 -0.40 0.00 0.00 41.96 38.38 3hwe s TYR 78 CO 0.02 -0.95 0.66 -0.46 -1.57 0.00 0.00 175.55 173.25 3hwe s TRP 79 N 1.11 3.10 -0.11 2.71 -0.11 0.06 -4.93 118.94 120.76 3hwe s TRP 79 Ca 0.08 0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.58 3hwe s TRP 79 Cb -0.22 -3.29 -0.02 0.00 -1.50 0.00 0.00 33.47 28.44 3hwe s TRP 79 CO -0.05 -0.77 -0.12 0.42 -4.62 0.00 0.00 176.95 171.82 3hwe s ILE 80 N 2.84 3.16 0.21 5.86 1.09 -1.26 -0.48 121.20 132.61 3hwe s ILE 80 Ca 0.25 -0.64 -0.18 0.00 -1.10 0.00 0.00 60.65 58.97 3hwe s ILE 80 Cb -0.14 -2.31 0.03 0.00 -1.06 0.00 0.00 42.46 38.98 3hwe s ILE 80 CO 0.17 0.54 0.56 0.00 -0.10 0.00 0.00 174.94 176.11 3hwe s ARG 81 N 0.07 1.43 -0.15 2.79 3.03 -0.27 -5.03 118.95 120.82 3hwe s ARG 81 Ca -0.05 -0.86 -0.04 0.00 2.03 0.00 0.00 55.73 56.82 3hwe s ARG 81 Cb -0.14 0.54 -0.03 0.00 -1.03 0.00 0.00 34.95 34.28 3hwe s ARG 81 CO 0.04 -0.62 -0.02 0.99 -1.13 0.00 0.00 175.30 174.56 3hwe s THR 82 N -3.87 4.04 -0.33 4.99 2.01 -1.26 -0.30 115.64 120.91 3hwe s THR 82 Ca 0.09 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 3hwe s THR 82 Cb -0.02 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 3hwe s THR 82 CO -0.02 0.50 0.20 -0.36 -0.69 0.00 0.00 174.62 174.25 3hwe s PHE 83 N 0.22 3.21 -0.15 4.92 2.99 -0.72 -0.69 117.98 127.75 3hwe s PHE 83 Ca -0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 56.93 56.34 3hwe s PHE 83 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 43.02 40.41 3hwe s PHE 83 CO 0.02 -0.43 0.29 0.08 -0.00 0.00 0.00 175.22 175.18 3hwe s VAL 84 N 1.66 5.30 0.14 -0.44 1.01 0.13 -1.35 120.40 126.85 3hwe s VAL 84 Ca 0.05 0.55 -0.35 0.00 0.00 0.00 0.00 61.98 62.24 3hwe s VAL 84 Cb -0.17 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.43 3hwe s VAL 84 CO 0.08 0.41 1.48 -2.65 0.00 0.00 0.00 175.10 174.42 3hwe n PRO 85 N 3.38 1.77 0.00 2.72 -0.02 -1.26 0.05 135.00 141.64 3hwe n PRO 85 Ca -0.12 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3hwe n PRO 85 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3hwe n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwe n GLY 86 N 3.01 1.78 0.36 -1.23 0.00 0.11 -4.72 105.19 104.51 3hwe n GLY 86 Ca 0.17 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.40 3hwe n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hwe h SER 87 N 0.00 0.83 -5.28 1.61 4.64 -1.94 -3.44 113.55 109.97 3hwe h SER 87 Ca 0.00 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 3hwe h SER 87 Cb 0.00 -0.16 -0.15 0.00 -0.31 0.00 0.00 62.40 61.78 3hwe h SER 87 CO 0.00 0.51 -0.63 0.00 -0.87 0.00 0.00 176.83 175.83 3hwe s GLN 88 N -5.84 0.72 0.29 4.77 -2.07 -1.26 -5.10 119.66 111.16 3hwe s GLN 88 Ca -0.11 -1.25 -0.30 0.00 -1.82 0.00 0.00 55.36 51.89 3hwe s GLN 88 Cb 0.20 0.23 -0.11 0.00 -1.09 0.00 0.00 33.01 32.25 3hwe s GLN 88 CO 0.79 -0.17 1.47 -2.14 -1.32 0.00 0.00 175.29 173.93 3hwe s PRO 89 N -3.95 4.22 0.00 9.60 0.02 -1.26 -1.85 135.00 141.78 3hwe s PRO 89 Ca 0.11 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3hwe s PRO 89 Cb 0.07 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3hwe s PRO 89 CO -0.07 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3hwe n GLY 90 N 1.73 0.71 3.20 0.52 0.00 -1.26 -4.72 105.19 105.37 3hwe n GLY 90 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3hwe n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hwe s GLU 91 N -0.68 2.26 0.15 1.61 2.12 -0.77 -0.15 118.70 123.24 3hwe s GLU 91 Ca 0.00 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.57 3hwe s GLU 91 Cb 0.00 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.45 3hwe s GLU 91 CO 0.00 0.29 0.03 -0.06 -0.54 0.00 0.00 175.26 174.98 3hwe s PHE 92 N 0.01 1.03 0.24 5.30 0.40 -0.37 0.08 117.98 124.66 3hwe s PHE 92 Ca -0.06 -1.12 0.06 0.00 -0.60 0.00 0.00 56.93 55.21 3hwe s PHE 92 Cb -0.13 -0.59 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 3hwe s PHE 92 CO 0.04 -0.36 -0.07 -0.08 0.70 0.00 0.00 175.22 175.45 3hwe s THR 93 N -3.85 1.45 0.12 0.64 -1.32 0.11 -1.42 115.64 111.38 3hwe s THR 93 Ca 0.23 -2.11 -0.29 0.00 -1.21 0.00 0.00 61.69 58.32 3hwe s THR 93 Cb 0.07 -2.28 -0.06 0.00 -1.51 0.00 0.00 72.50 68.71 3hwe s THR 93 CO 0.02 -0.41 0.91 -0.22 -2.21 0.00 0.00 174.62 172.71 3hwe s LEU 94 N -3.35 4.52 0.20 9.08 2.96 -1.25 0.23 118.68 131.07 3hwe s LEU 94 Ca 0.26 1.75 -0.11 0.00 -0.22 0.00 0.00 54.13 55.81 3hwe s LEU 94 Cb 0.03 -3.50 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 3hwe s LEU 94 CO 0.09 0.01 0.55 -0.83 -1.32 0.00 0.00 176.35 174.85 3hwe s GLY 95 N -0.30 2.34 -1.29 7.98 0.00 0.13 -4.31 107.32 111.87 3hwe s GLY 95 Ca 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.92 3hwe s GLY 95 CO 0.29 -0.03 0.69 -2.01 0.00 0.00 0.00 173.10 172.04 3hwe n ASN 96 N 0.17 -1.54 0.28 1.64 2.85 -1.26 -4.47 115.26 112.93 3hwe n ASN 96 Ca -0.01 -0.84 0.14 0.00 -0.11 0.00 0.00 54.58 53.75 3hwe n ASN 96 Cb 0.52 -3.98 0.83 0.00 1.24 0.00 0.00 39.78 38.40 3hwe n ASN 96 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 3hwe h ILE 97 N -1.84 0.57 -0.26 -1.44 2.10 -1.97 -2.77 117.51 111.91 3hwe h ILE 97 Ca -0.62 -0.20 0.07 0.00 1.08 0.00 0.00 64.86 65.19 3hwe h ILE 97 Cb 1.36 1.13 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 3hwe h ILE 97 CO 0.56 0.05 0.18 0.11 -1.08 0.00 0.00 178.15 177.97 3hwe h LYS 98 N 0.00 0.05 0.00 2.19 1.57 -1.90 -2.18 116.57 116.31 3hwe h LYS 98 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hwe h LYS 98 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3hwe h LYS 98 CO 0.01 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 177.79 3hwe n SER 99 N -4.47 0.00 -4.13 0.86 3.41 -1.04 -4.47 113.62 103.78 3hwe n SER 99 Ca 0.03 -0.19 -0.37 0.00 -0.26 0.00 0.00 58.87 58.09 3hwe n SER 99 Cb 0.31 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.90 3hwe n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3hwe s TYR 100 N -2.50 3.54 0.30 7.33 1.51 -0.82 -5.09 117.35 121.63 3hwe s TYR 100 Ca 0.27 -2.41 -0.30 0.00 -1.01 0.00 0.00 57.07 53.62 3hwe s TYR 100 Cb 0.18 -3.26 -0.12 0.00 -0.11 0.00 0.00 41.96 38.66 3hwe s TYR 100 CO 0.39 -0.95 1.58 -2.30 -1.11 0.00 0.00 175.55 173.16 3hwe n PRO 101 N 4.44 2.69 0.00 -1.71 -0.02 -1.26 -2.27 135.00 136.86 3hwe n PRO 101 Ca -0.01 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3hwe n PRO 101 Cb 0.41 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3hwe n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwe n GLY 102 N 1.98 3.16 3.65 -1.23 0.00 -1.26 -4.86 105.19 106.64 3hwe n GLY 102 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3hwe n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwe s LEU 103 N 0.00 4.06 -0.00 0.99 2.96 -0.96 -1.79 118.68 123.93 3hwe s LEU 103 Ca 0.00 1.35 0.06 0.00 -0.22 0.00 0.00 54.13 55.32 3hwe s LEU 103 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 3hwe s LEU 103 CO 0.00 -0.77 0.22 0.35 -1.32 0.00 0.00 176.35 174.83 3hwe n THR 104 N 5.54 0.00 -3.62 3.68 -2.24 -0.52 -4.88 114.28 112.24 3hwe n THR 104 Ca 0.13 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 3hwe n THR 104 Cb 0.46 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.40 3hwe n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hwe s SER 105 N -1.99 -0.57 -0.25 3.42 0.15 -1.16 -4.98 113.70 108.33 3hwe s SER 105 Ca 0.01 0.82 -0.12 0.00 0.70 0.00 0.00 55.95 57.36 3hwe s SER 105 Cb 0.05 0.79 0.09 0.00 -1.71 0.00 0.00 66.02 65.24 3hwe s SER 105 CO 0.26 -0.42 0.58 -0.47 1.20 0.00 0.00 173.24 174.39 3hwe s TYR 106 N -0.59 -0.99 -0.03 3.44 6.14 -1.26 -1.33 117.35 122.73 3hwe s TYR 106 Ca -0.07 1.91 0.02 0.00 0.64 0.00 0.00 57.07 59.57 3hwe s TYR 106 Cb -0.03 0.55 0.01 0.00 0.42 0.00 0.00 41.96 42.91 3hwe s TYR 106 CO 0.05 -0.51 -0.07 -1.17 0.64 0.00 0.00 175.55 174.49 3hwe s LEU 107 N 2.01 1.72 0.02 6.97 2.96 0.08 -3.93 118.68 128.51 3hwe s LEU 107 Ca -0.08 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3hwe s LEU 107 Cb -0.08 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3hwe s LEU 107 CO -0.17 0.04 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.98 3hwe s VAL 108 N 0.30 2.44 -0.13 1.68 1.01 -0.51 -1.03 120.40 124.16 3hwe s VAL 108 Ca -0.04 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 3hwe s VAL 108 Cb -0.09 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3hwe s VAL 108 CO 0.00 0.44 0.25 -0.60 0.00 0.00 0.00 175.10 175.20 3hwe s ARG 109 N -1.08 0.14 -0.49 2.72 3.52 0.57 -1.24 118.95 123.10 3hwe s ARG 109 Ca 0.12 0.69 -0.28 0.00 -0.13 0.00 0.00 55.73 56.13 3hwe s ARG 109 Cb -0.10 -0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.16 3hwe s ARG 109 CO 0.02 -0.32 1.39 0.08 -0.81 0.00 0.00 175.30 175.66 3hwe s VAL 110 N 2.41 3.87 -0.03 7.11 1.01 0.79 -0.16 120.40 135.40 3hwe s VAL 110 Ca 0.02 0.82 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 3hwe s VAL 110 Cb -0.12 -4.35 -0.20 0.00 0.00 0.00 0.00 36.38 31.70 3hwe s VAL 110 CO -0.09 -0.98 1.18 0.58 0.00 0.00 0.00 175.10 175.79 3hwe h VAL 111 N 6.41 1.46 -2.02 2.92 2.07 -0.98 0.42 116.25 126.53 3hwe h VAL 111 Ca -0.27 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 65.74 3hwe h VAL 111 Cb 1.10 2.37 -0.19 0.00 -1.52 0.00 0.00 31.29 33.05 3hwe h VAL 111 CO 1.13 0.40 0.26 -0.94 0.02 0.00 0.00 177.57 178.44 3hwe s SER 112 N -5.98 -0.60 -0.26 0.57 1.04 -1.03 -2.45 113.70 104.99 3hwe s SER 112 Ca -0.16 0.59 -0.26 0.00 0.48 0.00 0.00 55.95 56.60 3hwe s SER 112 Cb 0.02 0.50 0.13 0.00 0.10 0.00 0.00 66.02 66.77 3hwe s SER 112 CO 0.71 -0.60 1.04 0.28 0.98 0.00 0.00 173.24 175.65 3hwe s THR 113 N -1.44 0.00 -1.59 2.02 -1.32 -1.26 -0.42 115.64 111.63 3hwe s THR 113 Ca -0.08 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.59 3hwe s THR 113 Cb -0.00 -1.00 0.58 0.00 -1.51 0.00 0.00 72.50 70.57 3hwe s THR 113 CO 0.06 0.00 1.49 -0.46 -2.21 0.00 0.00 174.62 173.50 3hwe n ASN 114 N 1.92 3.84 0.00 8.08 6.94 -1.11 -5.01 115.26 129.92 3hwe n ASN 114 Ca -0.12 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 3hwe n ASN 114 Cb 0.56 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 3hwe n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3hwe n TYR 115 N 1.29 0.00 1.13 -2.53 4.01 -1.25 -4.41 117.16 115.40 3hwe n TYR 115 Ca 0.22 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.08 3hwe n TYR 115 Cb 0.62 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.84 3hwe n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3hwe n ASN 116 N 1.74 1.59 0.08 7.72 0.23 -1.26 -4.73 115.26 120.63 3hwe n ASN 116 Ca 0.00 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.80 3hwe n ASN 116 Cb 0.00 0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 3hwe n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwe n GLN 117 N -0.25 0.00 -4.21 -3.83 6.02 -1.26 -4.78 117.38 109.06 3hwe n GLN 117 Ca 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.98 3hwe n GLN 117 Cb 0.41 -0.13 -0.10 0.00 1.02 0.00 0.00 30.24 31.44 3hwe n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3hwe s HIS 118 N -2.00 1.11 -0.20 1.08 -3.43 -1.26 0.92 115.29 111.51 3hwe s HIS 118 Ca 0.00 -1.11 -0.28 0.00 -0.80 0.00 0.00 55.06 52.88 3hwe s HIS 118 Cb 0.00 -0.63 0.11 0.00 -1.43 0.00 0.00 32.58 30.63 3hwe s HIS 118 CO 0.00 -0.33 0.92 0.00 -2.00 0.00 0.00 174.74 173.32 3hwe s ALA 119 N -3.81 -1.90 -0.15 -1.38 0.00 -0.31 -2.76 121.76 111.45 3hwe s ALA 119 Ca 0.25 1.72 0.01 0.00 0.00 0.00 0.00 51.96 53.94 3hwe s ALA 119 Cb 0.07 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.26 3hwe s ALA 119 CO 0.04 -0.30 -0.19 -1.64 0.00 0.00 0.00 175.76 173.67 3hwe s MET 120 N -0.40 3.09 -0.03 0.00 -1.94 0.44 0.29 119.30 120.75 3hwe s MET 120 Ca -0.01 -0.81 0.06 0.00 -1.71 0.00 0.00 55.69 53.21 3hwe s MET 120 Cb -0.03 -2.53 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 3hwe s MET 120 CO 0.00 -0.04 -0.20 0.08 -0.01 0.00 0.00 175.02 174.84 3hwe s VAL 121 N 0.91 1.64 -0.16 -6.03 1.01 -0.86 -0.56 120.40 116.35 3hwe s VAL 121 Ca -0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3hwe s VAL 121 Cb -0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3hwe s VAL 121 CO -0.03 0.46 -0.03 0.12 0.00 0.00 0.00 175.10 175.63 3hwe s PHE 122 N -0.31 3.05 0.06 5.22 2.19 0.77 -1.26 117.98 127.70 3hwe s PHE 122 Ca 0.03 -0.25 0.09 0.00 0.33 0.00 0.00 56.93 57.13 3hwe s PHE 122 Cb -0.10 -1.97 -0.03 0.00 -1.31 0.00 0.00 43.02 39.62 3hwe s PHE 122 CO 0.01 -0.01 -0.26 -0.06 1.83 0.00 0.00 175.22 176.73 3hwe s PHE 123 N 0.35 2.28 -0.15 10.12 0.08 0.85 -0.31 117.98 131.18 3hwe s PHE 123 Ca -0.03 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.56 3hwe s PHE 123 Cb -0.14 -1.35 0.07 0.00 -0.57 0.00 0.00 43.02 41.04 3hwe s PHE 123 CO 0.03 0.15 0.30 0.21 -0.10 0.00 0.00 175.22 175.80 3hwe s LYS 124 N -1.33 0.19 0.07 0.44 2.20 -0.19 -0.98 119.74 120.14 3hwe s LYS 124 Ca 0.12 0.78 0.08 0.00 -0.36 0.00 0.00 55.97 56.59 3hwe s LYS 124 Cb -0.10 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 3hwe s LYS 124 CO 0.02 -0.31 -0.22 -1.59 -0.36 0.00 0.00 175.35 172.90 3hwe s LYS 125 N 2.46 1.32 -0.20 4.03 -2.85 0.32 -0.74 119.74 124.09 3hwe s LYS 125 Ca 0.01 -1.08 -0.02 0.00 -1.00 0.00 0.00 55.97 53.89 3hwe s LYS 125 Cb -0.12 -1.53 0.00 0.00 -2.06 0.00 0.00 37.83 34.12 3hwe s LYS 125 CO -0.10 0.38 -0.11 0.08 0.10 0.00 0.00 175.35 175.70 3hwe s VAL 126 N -0.97 2.89 -0.09 1.79 1.01 -0.44 -0.24 120.40 124.35 3hwe s VAL 126 Ca 0.08 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3hwe s VAL 126 Cb -0.09 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.05 3hwe s VAL 126 CO 0.03 0.47 0.22 -0.55 0.00 0.00 0.00 175.10 175.27 3hwe s SER 127 N 1.30 -0.22 -1.59 3.32 0.15 -0.65 -1.43 113.70 114.57 3hwe s SER 127 Ca 0.04 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 57.01 3hwe s SER 127 Cb -0.14 0.36 0.11 0.00 -1.71 0.00 0.00 66.02 64.63 3hwe s SER 127 CO -0.06 -0.15 0.77 0.00 1.20 0.00 0.00 173.24 175.01 3hwe n GLN 128 N 4.03 -3.90 -1.19 5.44 3.00 -0.74 -1.28 117.38 122.74 3hwe n GLN 128 Ca -0.24 0.45 -0.07 0.00 -0.01 0.00 0.00 57.00 57.14 3hwe n GLN 128 Cb 0.54 -5.11 -0.03 0.00 0.00 0.00 0.00 30.24 25.64 3hwe n GLN 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3hwe n ASN 129 N -2.78 -5.75 -4.58 1.08 4.13 -1.26 -4.97 115.26 101.13 3hwe n ASN 129 Ca -0.01 0.16 -0.36 0.00 1.68 0.00 0.00 54.58 56.05 3hwe n ASN 129 Cb 0.54 -3.83 -0.11 0.00 -1.54 0.00 0.00 39.78 34.85 3hwe n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3hwe s ARG 130 N -2.51 3.89 -0.47 3.52 0.52 -0.41 -5.06 118.95 118.44 3hwe s ARG 130 Ca 0.00 -0.37 -0.22 0.00 -0.52 0.00 0.00 55.73 54.62 3hwe s ARG 130 Cb 0.00 -3.32 0.03 0.00 0.52 0.00 0.00 34.95 32.19 3hwe s ARG 130 CO 0.00 0.08 0.72 -2.00 0.02 0.00 0.00 175.30 174.12 3hwe s GLU 131 N 0.91 3.30 -0.02 3.54 2.12 -1.26 -1.64 118.70 125.65 3hwe s GLU 131 Ca 0.05 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3hwe s GLU 131 Cb -0.14 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 3hwe s GLU 131 CO 0.03 -1.13 0.01 0.71 -0.54 0.00 0.00 175.26 174.33 3hwe s TYR 132 N 3.07 3.12 0.03 5.30 1.51 0.67 -4.68 117.35 126.37 3hwe s TYR 132 Ca 0.25 0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 56.39 3hwe s TYR 132 Cb -0.14 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3hwe s TYR 132 CO 0.19 0.47 0.05 -0.59 -1.11 0.00 0.00 175.55 174.56 3hwe s PHE 133 N -1.05 0.24 0.07 2.71 -0.71 -1.26 -0.52 117.98 117.46 3hwe s PHE 133 Ca 0.18 -0.53 -0.13 0.00 -1.04 0.00 0.00 56.93 55.41 3hwe s PHE 133 Cb -0.12 -0.18 0.02 0.00 -1.21 0.00 0.00 43.02 41.54 3hwe s PHE 133 CO 0.09 -0.30 0.30 -1.59 -1.34 0.00 0.00 175.22 172.38 3hwe s LYS 134 N -2.24 0.88 -0.07 1.99 -2.85 -0.15 -2.35 119.74 114.95 3hwe s LYS 134 Ca -0.08 -0.65 0.05 0.00 -1.00 0.00 0.00 55.97 54.29 3hwe s LYS 134 Cb -0.04 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 3hwe s LYS 134 CO -0.03 -0.30 -0.24 0.42 0.10 0.00 0.00 175.35 175.30 3hwe s ILE 135 N -3.14 2.02 -0.10 3.79 1.09 0.45 -0.11 121.20 125.19 3hwe s ILE 135 Ca -0.01 -1.03 -0.02 0.00 -1.10 0.00 0.00 60.65 58.50 3hwe s ILE 135 Cb 0.01 -1.72 -0.03 0.00 -1.06 0.00 0.00 42.46 39.66 3hwe s ILE 135 CO -0.07 0.56 -0.03 0.42 -0.10 0.00 0.00 174.94 175.71 3hwe s THR 136 N 0.04 4.00 -0.54 2.92 -4.23 -0.39 -1.74 115.64 115.71 3hwe s THR 136 Ca -0.09 -0.35 -0.17 0.00 -1.18 0.00 0.00 61.69 59.90 3hwe s THR 136 Cb -0.15 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.11 3hwe s THR 136 CO 0.06 0.57 0.52 -0.22 -0.54 0.00 0.00 174.62 175.01 3hwe s LEU 137 N -0.45 5.93 0.05 4.79 1.98 0.10 -2.04 118.68 129.05 3hwe s LEU 137 Ca 0.07 -1.64 -0.24 0.00 -2.89 0.00 0.00 54.13 49.43 3hwe s LEU 137 Cb -0.12 -2.23 -0.06 0.00 0.66 0.00 0.00 46.19 44.44 3hwe s LEU 137 CO 0.02 -0.87 0.75 -0.31 -1.89 0.00 0.00 176.35 174.04 3hwe s TYR 138 N 1.83 3.74 -0.04 5.38 2.02 0.15 -1.34 117.35 129.09 3hwe s TYR 138 Ca 0.05 1.45 0.05 0.00 -0.37 0.00 0.00 57.07 58.25 3hwe s TYR 138 Cb -0.28 -2.79 -0.01 0.00 -0.40 0.00 0.00 41.96 38.48 3hwe s TYR 138 CO 0.04 0.30 -0.18 0.20 -1.57 0.00 0.00 175.55 174.34 3hwe s GLY 139 N -0.13 0.96 0.23 0.71 0.00 0.12 -1.16 107.32 108.04 3hwe s GLY 139 Ca 0.38 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.38 3hwe s GLY 139 CO 0.22 -0.47 1.56 -0.09 0.00 0.00 0.00 173.10 174.32 3hwe h ARG 140 N 6.07 0.26 -6.31 2.90 9.65 0.25 0.22 114.38 127.43 3hwe h ARG 140 Ca -0.34 -0.18 -0.50 0.00 -1.10 0.00 0.00 59.98 57.86 3hwe h ARG 140 Cb 1.17 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 3hwe h ARG 140 CO 0.48 0.78 -0.25 0.95 2.80 0.00 0.00 179.97 184.73 3hwe s THR 141 N -3.78 2.29 -0.53 0.20 -4.23 -1.26 -4.73 115.64 103.61 3hwe s THR 141 Ca -0.04 -1.21 0.25 0.00 -1.18 0.00 0.00 61.69 59.51 3hwe s THR 141 Cb 0.12 -2.50 0.32 0.00 1.34 0.00 0.00 72.50 71.77 3hwe s THR 141 CO 0.80 0.00 1.72 0.11 -0.54 0.00 0.00 174.62 176.71 3hwe h LYS 142 N 0.61 0.00 -6.35 3.99 1.57 -1.95 -3.43 116.57 111.01 3hwe h LYS 142 Ca -0.36 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.73 3hwe h LYS 142 Cb 1.28 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.35 3hwe h LYS 142 CO 0.50 0.00 -0.79 -1.21 -0.57 0.00 0.00 179.45 177.38 3hwe s GLU 143 N -3.21 2.46 0.32 3.15 0.41 -1.26 -4.88 118.70 115.69 3hwe s GLU 143 Ca 0.08 -0.73 0.04 0.00 -0.41 0.00 0.00 54.97 53.94 3hwe s GLU 143 Cb 0.09 -2.33 -0.06 0.00 -1.78 0.00 0.00 34.13 30.05 3hwe s GLU 143 CO 0.61 0.61 0.06 -0.51 -0.49 0.00 0.00 175.26 175.54 3hwe s LEU 144 N -0.69 2.13 0.93 1.80 1.43 -1.26 -4.91 118.68 118.10 3hwe s LEU 144 Ca 0.11 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 51.71 3hwe s LEU 144 Cb -0.11 -0.34 0.15 0.00 0.03 0.00 0.00 46.19 45.92 3hwe s LEU 144 CO 0.00 -0.62 1.10 0.42 0.23 0.00 0.00 176.35 177.48 3hwe s THR 145 N -3.34 2.33 0.13 5.49 -4.23 -1.26 -4.92 115.64 109.84 3hwe s THR 145 Ca 0.37 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.86 3hwe s THR 145 Cb 0.09 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 3hwe s THR 145 CO 0.15 -0.14 1.51 0.28 -0.54 0.00 0.00 174.62 175.88 3hwe h SER 146 N -1.65 0.84 -0.11 3.99 0.02 -2.01 -2.83 113.55 111.80 3hwe h SER 146 Ca -0.52 -0.40 0.04 0.00 -0.84 0.00 0.00 61.79 60.08 3hwe h SER 146 Cb 1.31 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 3hwe h SER 146 CO 0.58 1.06 -0.35 -0.33 -1.14 0.00 0.00 176.83 176.64 3hwe h GLU 147 N 0.63 -0.43 -0.73 3.45 3.07 -2.00 -0.82 114.58 117.75 3hwe h GLU 147 Ca 0.09 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3hwe h GLU 147 Cb 0.73 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.70 3hwe h GLU 147 CO 0.06 -0.28 0.48 -0.07 -1.40 0.00 0.00 179.01 177.80 3hwe h LEU 148 N -0.44 0.80 -0.25 1.33 3.38 -1.94 -0.86 115.31 117.33 3hwe h LEU 148 Ca 0.08 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 3hwe h LEU 148 Cb 0.58 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hwe h LEU 148 CO -0.35 0.57 -0.70 0.11 0.09 0.00 0.00 178.44 178.15 3hwe h LYS 149 N 0.94 0.74 -0.53 1.13 1.57 -1.19 -2.27 116.57 116.96 3hwe h LYS 149 Ca 0.28 -0.56 -0.07 0.00 -1.87 0.00 0.00 60.65 58.43 3hwe h LYS 149 Cb -0.02 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3hwe h LYS 149 CO -0.07 1.18 0.04 0.93 -0.57 0.00 0.00 179.45 180.96 3hwe h GLU 150 N 0.53 0.91 -0.80 3.15 4.39 -0.84 0.10 114.58 122.02 3hwe h GLU 150 Ca -0.03 -0.27 0.15 0.00 0.34 0.00 0.00 59.36 59.55 3hwe h GLU 150 Cb 1.32 -0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.77 3hwe h GLU 150 CO 0.14 0.91 0.34 -0.97 -1.16 0.00 0.00 179.01 178.27 3hwe h ASN 151 N 0.79 0.34 -0.16 1.42 -1.24 -1.12 0.26 115.58 115.87 3hwe h ASN 151 Ca 0.16 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.24 3hwe h ASN 151 Cb 0.47 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 3hwe h ASN 151 CO 0.02 0.12 -0.04 0.15 -1.29 0.00 0.00 177.43 176.39 3hwe h PHE 152 N 0.48 0.34 -0.51 0.67 3.04 -0.96 -1.51 116.94 118.49 3hwe h PHE 152 Ca 0.44 -0.07 0.06 0.00 3.98 0.00 0.00 57.97 62.38 3hwe h PHE 152 Cb 0.69 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 39.07 3hwe h PHE 152 CO -0.15 0.58 0.22 0.82 -2.02 0.00 0.00 178.31 177.76 3hwe h ILE 153 N 0.01 0.89 0.00 1.41 2.04 0.12 -0.66 117.51 121.33 3hwe h ILE 153 Ca 0.04 -0.15 -0.17 0.00 1.00 0.00 0.00 64.86 65.59 3hwe h ILE 153 Cb 0.47 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3hwe h ILE 153 CO 0.02 0.08 -0.79 -0.09 0.00 0.00 0.00 178.15 177.36 3hwe h ARG 154 N 0.43 0.00 -0.22 2.37 1.12 -0.53 -2.36 114.38 115.18 3hwe h ARG 154 Ca 0.24 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 59.04 3hwe h ARG 154 Cb 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 3hwe h ARG 154 CO -0.20 0.79 -0.12 0.35 -3.11 0.00 0.00 179.97 177.68 3hwe h PHE 155 N 0.00 0.56 -0.91 2.20 3.57 -1.05 -1.50 116.94 119.81 3hwe h PHE 155 Ca -0.01 -0.14 0.13 0.00 3.53 0.00 0.00 57.97 61.48 3hwe h PHE 155 Cb 1.49 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 40.02 3hwe h PHE 155 CO 0.00 0.76 0.53 0.77 -2.23 0.00 0.00 178.31 178.14 3hwe h SER 156 N 0.19 0.72 -0.34 0.41 0.02 -1.05 -1.72 113.55 111.78 3hwe h SER 156 Ca 0.05 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 3hwe h SER 156 Cb 0.62 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3hwe h SER 156 CO 0.04 0.35 -0.23 0.11 -1.14 0.00 0.00 176.83 175.96 3hwe h LYS 157 N 0.80 0.83 0.00 3.45 1.57 -1.30 -2.63 116.57 119.29 3hwe h LYS 157 Ca 0.47 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3hwe h LYS 157 Cb 0.56 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3hwe h LYS 157 CO -0.31 0.97 0.00 0.66 -0.57 0.00 0.00 179.45 180.21 3hwe h SER 158 N 0.72 0.00 -0.66 0.86 4.64 -0.32 0.15 113.55 118.93 3hwe h SER 158 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3hwe h SER 158 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3hwe h SER 158 CO 0.06 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 3hwe n LEU 159 N -2.79 3.82 0.00 5.97 4.77 -1.10 -4.97 117.00 122.70 3hwe n LEU 159 Ca -0.02 -1.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 3hwe n LEU 159 Cb 0.06 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 3hwe n LEU 159 CO 0.16 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 3hwe n GLY 160 N 1.55 0.94 3.70 -0.72 0.00 0.51 -4.64 105.19 106.53 3hwe n GLY 160 Ca 0.23 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3hwe n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwe s LEU 161 N 0.00 4.25 0.92 0.99 1.43 -1.01 -5.00 118.68 120.26 3hwe s LEU 161 Ca 0.00 0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 53.84 3hwe s LEU 161 Cb 0.00 -2.81 0.16 0.00 0.03 0.00 0.00 46.19 43.57 3hwe s LEU 161 CO 0.00 -0.09 1.26 -2.16 0.23 0.00 0.00 176.35 175.59 3hwe s PRO 162 N 0.96 1.01 0.21 1.29 0.04 -1.26 -3.97 135.00 133.29 3hwe s PRO 162 Ca 0.29 -0.18 -0.09 0.00 0.04 0.00 0.00 61.00 61.05 3hwe s PRO 162 Cb -0.16 -1.87 0.22 0.00 0.04 0.00 0.00 34.50 32.73 3hwe s PRO 162 CO 0.12 -2.20 1.84 1.49 0.04 0.00 0.00 177.00 178.29 3hwe h GLU 163 N -1.49 0.80 0.00 4.56 4.57 -1.98 -1.77 114.58 119.27 3hwe h GLU 163 Ca -0.45 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3hwe h GLU 163 Cb 1.27 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3hwe h GLU 163 CO 0.48 0.53 0.00 0.27 -1.18 0.00 0.00 179.01 179.11 3hwe n ASN 164 N -4.69 0.00 -1.18 1.04 6.94 -1.26 -1.74 115.26 114.36 3hwe n ASN 164 Ca 0.08 -0.92 0.12 0.00 -0.02 0.00 0.00 54.58 53.84 3hwe n ASN 164 Cb 0.12 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 37.77 3hwe n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3hwe n HIS 165 N -0.96 0.56 -4.75 -2.53 8.25 -0.67 -1.32 115.22 113.80 3hwe n HIS 165 Ca 0.19 -0.28 -0.33 0.00 -0.26 0.00 0.00 57.72 57.04 3hwe n HIS 165 Cb 0.09 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.03 3hwe n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hwe s ILE 166 N -1.44 2.21 0.11 1.59 1.01 -0.71 -2.59 121.20 121.38 3hwe s ILE 166 Ca 0.40 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.17 3hwe s ILE 166 Cb 0.23 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 3hwe s ILE 166 CO 0.32 0.54 -0.13 0.68 0.00 0.00 0.00 174.94 176.35 3hwe s VAL 167 N 0.71 1.26 -0.38 2.92 -7.23 0.19 -4.81 120.40 113.06 3hwe s VAL 167 Ca -0.09 -1.67 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 3hwe s VAL 167 Cb -0.16 -1.47 0.11 0.00 0.56 0.00 0.00 36.38 35.42 3hwe s VAL 167 CO 0.01 -0.42 0.10 -0.36 -0.31 0.00 0.00 175.10 174.12 3hwe s PHE 168 N -2.12 3.65 0.32 2.82 0.40 -1.26 0.38 117.98 122.17 3hwe s PHE 168 Ca 0.08 -3.00 -0.28 0.00 -0.60 0.00 0.00 56.93 53.13 3hwe s PHE 168 Cb -0.05 -2.93 -0.13 0.00 0.51 0.00 0.00 43.02 40.42 3hwe s PHE 168 CO 0.02 -0.91 1.12 -2.30 0.70 0.00 0.00 175.22 173.85 3hwe n PRO 169 N 4.06 1.66 -2.71 0.24 -0.02 -1.24 -4.92 135.00 132.07 3hwe n PRO 169 Ca 0.04 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3hwe n PRO 169 Cb 0.40 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3hwe n PRO 169 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hwe s VAL 170 N -1.09 4.81 0.28 -1.45 0.11 -0.42 -4.53 120.40 118.11 3hwe s VAL 170 Ca 0.58 2.02 -0.29 0.00 -2.93 0.00 0.00 61.98 61.35 3hwe s VAL 170 Cb -0.64 -4.30 -0.13 0.00 -1.53 0.00 0.00 36.38 29.77 3hwe s VAL 170 CO 0.61 0.04 1.21 -2.65 -3.33 0.00 0.00 175.10 170.98 3hwe n PRO 171 N 4.81 1.75 -4.34 1.54 -0.02 -1.26 -1.55 135.00 135.92 3hwe n PRO 171 Ca 0.08 0.62 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 3hwe n PRO 171 Cb 0.49 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 3hwe n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hwe s ILE 172 N -0.73 0.37 -0.05 4.25 -4.36 -1.26 -4.88 121.20 114.54 3hwe s ILE 172 Ca 0.61 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 59.10 3hwe s ILE 172 Cb -0.66 -2.53 -0.14 0.00 1.25 0.00 0.00 42.46 40.39 3hwe s ILE 172 CO 0.57 0.00 0.14 0.47 0.24 0.00 0.00 174.94 176.36 3hwe n ASP 173 N -0.87 2.75 -4.76 4.36 10.43 -1.26 -4.90 116.55 122.30 3hwe n ASP 173 Ca 0.01 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.96 3hwe n ASP 173 Cb 0.65 1.15 -0.03 0.00 1.84 0.00 0.00 41.12 44.73 3hwe n ASP 173 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3hwe s GLN 174 N -2.49 4.49 0.00 -1.24 1.11 -1.26 -4.12 119.66 116.14 3hwe s GLN 174 Ca -0.04 2.01 0.00 0.00 0.01 0.00 0.00 55.36 57.34 3hwe s GLN 174 Cb 0.05 -3.14 0.00 0.00 -1.01 0.00 0.00 33.01 28.91 3hwe s GLN 174 CO 0.39 -0.02 0.00 0.00 0.01 0.00 0.00 175.29 175.68 3hwe n ILE 176 N 0.00 0.11 0.07 0.00 -5.35 -1.26 -5.00 119.36 107.93 3hwe n ILE 176 Ca 0.00 -0.15 0.01 0.00 -0.27 0.00 0.00 62.75 62.34 3hwe n ILE 176 Cb 0.00 0.01 0.01 0.00 -1.74 0.00 0.00 39.64 37.91 3hwe n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26