#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 3.98 0.33 8.00 1.04 -1.26 -5.05 113.70 120.74 3hwe s SER 5 Ca 0.00 0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.23 3hwe s SER 5 Cb 0.00 -0.36 -0.10 0.00 0.10 0.00 0.00 66.02 65.66 3hwe s SER 5 CO 0.00 -2.13 0.92 -1.81 0.98 0.00 0.00 173.24 171.20 3hwe s ASP 6 N -4.75 7.23 0.13 7.02 -0.00 -1.26 -5.07 116.67 119.98 3hwe s ASP 6 Ca 0.68 1.76 0.10 0.00 -0.00 0.00 0.00 52.55 55.09 3hwe s ASP 6 Cb -0.06 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.27 3hwe s ASP 6 CO 0.48 -0.11 -0.21 -0.76 -0.00 0.00 0.00 175.17 174.57 3hwe s LEU 7 N -2.26 2.57 0.01 1.23 1.43 -1.26 -5.11 118.68 115.30 3hwe s LEU 7 Ca 0.52 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 3hwe s LEU 7 Cb -0.17 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 3hwe s LEU 7 CO 0.21 0.17 1.32 -0.63 0.23 0.00 0.00 176.35 177.65 3hwe s ILE 8 N -1.19 3.84 0.29 -0.59 1.01 -1.26 -4.96 121.20 118.33 3hwe s ILE 8 Ca 0.17 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.78 3hwe s ILE 8 Cb -0.10 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 3hwe s ILE 8 CO 0.09 0.03 1.50 -2.16 0.00 0.00 0.00 174.94 174.40 3hwe s PRO 9 N 1.93 4.19 0.29 2.79 0.04 -1.26 -4.88 135.00 138.10 3hwe s PRO 9 Ca 0.61 2.44 -0.30 0.00 0.04 0.00 0.00 61.00 63.80 3hwe s PRO 9 Cb -0.30 -3.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.06 3hwe s PRO 9 CO 0.26 -0.50 1.33 0.00 0.04 0.00 0.00 177.00 178.14 3hwe n ALA 10 N 1.86 1.13 -1.53 8.56 0.00 -1.26 -4.95 120.51 124.32 3hwe n ALA 10 Ca 0.06 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 3hwe n ALA 10 Cb 0.39 -2.25 0.05 0.00 0.00 0.00 0.00 19.45 17.64 3hwe n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hwe s PRO 11 N -1.14 2.87 0.30 0.00 0.04 -1.26 -4.99 135.00 130.82 3hwe s PRO 11 Ca 0.62 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 3hwe s PRO 11 Cb -0.61 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 3hwe s PRO 11 CO 0.56 -1.16 1.40 -1.25 0.04 0.00 0.00 177.00 176.59 3hwe s PRO 12 N -4.80 4.28 0.59 0.56 0.04 -1.26 -4.89 135.00 129.52 3hwe s PRO 12 Ca 0.60 2.31 0.39 0.00 0.04 0.00 0.00 61.00 64.34 3hwe s PRO 12 Cb -0.15 -3.07 2.14 0.00 0.04 0.00 0.00 34.50 33.45 3hwe s PRO 12 CO 0.51 -0.35 2.21 -0.07 0.04 0.00 0.00 177.00 179.34 3hwe h LEU 13 N 4.11 0.00 -2.55 -3.56 3.38 -1.94 0.17 115.31 114.92 3hwe h LEU 13 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hwe h LEU 13 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3hwe h LEU 13 CO 0.71 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.99 3hwe h SER 14 N 0.00 0.00 -0.31 -0.43 4.64 -2.03 -1.81 113.55 113.61 3hwe h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwe h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hwe h SER 14 CO 0.00 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3hwe n LYS 15 N -3.35 1.93 -3.91 4.77 5.02 0.61 -4.73 118.16 118.50 3hwe n LYS 15 Ca -0.02 -1.43 -0.31 0.00 -2.02 0.00 0.00 58.31 54.53 3hwe n LYS 15 Cb 0.12 -1.38 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 3hwe n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hwe s VAL 16 N -1.59 1.69 0.83 -0.18 1.01 -0.68 -4.91 120.40 116.56 3hwe s VAL 16 Ca 0.31 -1.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.29 3hwe s VAL 16 Cb 0.17 -2.23 0.10 0.00 0.00 0.00 0.00 36.38 34.42 3hwe s VAL 16 CO 0.24 -0.58 1.15 -2.84 0.00 0.00 0.00 175.10 173.07 3hwe s PRO 17 N 1.21 1.61 -0.17 2.72 0.02 -1.26 -4.97 135.00 134.17 3hwe s PRO 17 Ca 0.09 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 62.63 3hwe s PRO 17 Cb -0.18 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 3hwe s PRO 17 CO -0.14 -2.19 -0.10 -1.17 -0.33 0.00 0.00 177.00 173.07 3hwe s LEU 18 N -6.02 2.77 -0.04 -5.54 2.96 -1.26 -4.12 118.68 107.43 3hwe s LEU 18 Ca 0.68 -0.36 -0.37 0.00 -0.22 0.00 0.00 54.13 53.86 3hwe s LEU 18 Cb -0.24 -1.66 -0.15 0.00 0.50 0.00 0.00 46.19 44.64 3hwe s LEU 18 CO 0.53 0.09 1.57 1.67 -1.32 0.00 0.00 176.35 178.89 3hwe n GLN 19 N 4.06 1.43 -2.36 1.98 -0.06 -0.08 -4.91 117.38 117.44 3hwe n GLN 19 Ca -0.18 0.52 -0.41 0.00 -2.00 0.00 0.00 57.00 54.93 3hwe n GLN 19 Cb 0.52 -2.22 -0.03 0.00 -4.06 0.00 0.00 30.24 24.45 3hwe n GLN 19 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 3hwe s GLN 20 N 1.96 4.50 -1.19 3.69 0.74 -1.26 -3.86 119.66 124.23 3hwe s GLN 20 Ca 0.89 1.91 -0.15 0.00 0.05 0.00 0.00 55.36 58.06 3hwe s GLN 20 Cb -0.92 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 29.97 3hwe s GLN 20 CO 0.52 -0.05 0.73 -1.71 -0.55 0.00 0.00 175.29 174.23 3hwe n ASN 21 N 2.10 -4.20 -4.77 6.67 5.15 -1.26 -4.88 115.26 114.08 3hwe n ASN 21 Ca 0.03 -0.99 -0.39 0.00 -0.60 0.00 0.00 54.58 52.63 3hwe n ASN 21 Cb 0.44 -3.45 -0.01 0.00 -0.53 0.00 0.00 39.78 36.23 3hwe n ASN 21 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3hwe s PHE 22 N -3.56 2.91 -0.33 1.20 2.19 -1.25 -5.01 117.98 114.13 3hwe s PHE 22 Ca 0.36 1.47 0.03 0.00 0.33 0.00 0.00 56.93 59.12 3hwe s PHE 22 Cb -0.12 -3.56 0.10 0.00 -1.31 0.00 0.00 43.02 38.12 3hwe s PHE 22 CO 0.86 -1.79 0.04 -0.65 1.83 0.00 0.00 175.22 175.51 3hwe s GLN 23 N -2.28 1.44 0.41 10.12 -0.21 -1.26 -4.87 119.66 123.00 3hwe s GLN 23 Ca 0.57 -1.71 0.08 0.00 0.02 0.00 0.00 55.36 54.32 3hwe s GLN 23 Cb -0.35 -3.01 0.85 0.00 1.00 0.00 0.00 33.01 31.49 3hwe s GLN 23 CO 0.45 -0.91 2.00 0.38 -2.12 0.00 0.00 175.29 175.08 3hwe h ASP 24 N 7.69 0.34 -0.21 5.90 2.03 -1.98 -2.14 116.42 128.04 3hwe h ASP 24 Ca -0.07 -0.03 -0.12 0.00 -0.73 0.00 0.00 57.03 56.07 3hwe h ASP 24 Cb 1.02 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.42 3hwe h ASP 24 CO 0.51 0.35 -0.30 -0.55 -1.03 0.00 0.00 179.24 178.22 3hwe h ASN 25 N 0.38 0.74 1.43 4.15 -1.07 -1.99 -3.22 115.58 116.00 3hwe h ASN 25 Ca 0.09 -0.29 -0.11 0.00 0.07 0.00 0.00 56.30 56.06 3hwe h ASN 25 Cb 0.14 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 36.17 3hwe h ASN 25 CO -0.00 0.99 -0.58 1.56 0.07 0.00 0.00 177.43 179.46 3hwe h GLN 26 N 0.61 0.00 0.00 4.14 1.08 -1.86 -3.15 115.11 115.93 3hwe h GLN 26 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3hwe h GLN 26 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3hwe h GLN 26 CO 0.07 0.50 0.00 0.34 -0.95 0.00 0.00 178.83 178.78 3hwe n PHE 27 N -3.20 0.00 -2.40 2.96 -0.00 -0.86 -4.77 117.46 109.20 3hwe n PHE 27 Ca 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.11 3hwe n PHE 27 Cb 0.75 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.48 39.99 3hwe n PHE 27 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3hwe s GLN 28 N -2.42 3.75 0.00 -4.13 0.74 -1.19 -4.84 119.66 111.57 3hwe s GLN 28 Ca 0.33 1.57 0.00 0.00 0.05 0.00 0.00 55.36 57.31 3hwe s GLN 28 Cb 0.20 -2.25 0.00 0.00 1.10 0.00 0.00 33.01 32.06 3hwe s GLN 28 CO 0.43 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 3hwe n GLY 29 N 0.17 -0.16 3.77 2.59 0.00 -0.05 -4.95 105.19 106.56 3hwe n GLY 29 Ca 0.08 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 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 0.00 4.59 -0.06 1.61 2.20 -1.26 -1.30 119.74 125.52 3hwe s LYS 30 Ca 0.00 1.18 0.01 0.00 -0.36 0.00 0.00 55.97 56.80 3hwe s LYS 30 Cb 0.00 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 3hwe s LYS 30 CO 0.00 0.52 -0.07 -1.58 -0.36 0.00 0.00 175.35 173.87 3hwe s TRP 31 N -0.98 0.99 0.14 4.03 0.52 0.00 -4.75 118.94 118.89 3hwe s TRP 31 Ca 0.37 -0.33 -0.23 0.00 0.02 0.00 0.00 56.10 55.93 3hwe s TRP 31 Cb -0.23 -0.83 -0.08 0.00 -1.15 0.00 0.00 33.47 31.19 3hwe s TRP 31 CO 0.26 -0.25 0.69 0.71 0.02 0.00 0.00 176.95 178.39 3hwe s TYR 32 N 0.97 3.85 -0.94 -1.98 2.02 0.92 -0.89 117.35 121.30 3hwe s TYR 32 Ca -0.10 1.48 -0.19 0.00 -0.37 0.00 0.00 57.07 57.89 3hwe s TYR 32 Cb -0.14 -2.65 0.13 0.00 -0.40 0.00 0.00 41.96 38.89 3hwe s TYR 32 CO 0.00 0.53 1.14 0.08 -1.57 0.00 0.00 175.55 175.73 3hwe s VAL 33 N -1.17 4.73 -0.63 0.71 1.01 -0.72 -0.08 120.40 124.25 3hwe s VAL 33 Ca 0.34 -1.60 0.25 0.00 0.00 0.00 0.00 61.98 60.97 3hwe s VAL 33 Cb -0.21 -4.79 0.24 0.00 0.00 0.00 0.00 36.38 31.62 3hwe s VAL 33 CO 0.23 -1.51 1.62 -0.37 0.00 0.00 0.00 175.10 175.07 3hwe h VAL 34 N 5.81 0.00 -2.92 2.92 -1.51 -1.70 -3.41 116.25 115.45 3hwe h VAL 34 Ca 0.16 -0.61 -0.13 0.00 -1.23 0.00 0.00 66.70 64.90 3hwe h VAL 34 Cb 1.02 1.50 -0.23 0.00 -2.13 0.00 0.00 31.29 31.45 3hwe h VAL 34 CO 1.11 0.00 -0.29 -0.83 -1.23 0.00 0.00 177.57 176.34 3hwe s GLY 35 N -3.75 -0.23 -0.08 5.19 0.00 -1.13 -4.01 107.32 103.30 3hwe s GLY 35 Ca 0.09 0.79 -0.03 0.00 0.00 0.00 0.00 44.72 45.57 3hwe s GLY 35 CO 0.64 0.63 0.16 -2.27 0.00 0.00 0.00 173.10 172.26 3hwe s LEU 36 N -0.30 0.26 0.11 0.66 0.20 0.32 0.03 118.68 119.96 3hwe s LEU 36 Ca -0.04 0.32 0.04 0.00 0.69 0.00 0.00 54.13 55.14 3hwe s LEU 36 Cb -0.03 0.32 -0.04 0.00 -0.43 0.00 0.00 46.19 46.01 3hwe s LEU 36 CO 0.02 -0.20 -0.10 0.00 -0.29 0.00 0.00 176.35 175.78 3hwe s ALA 37 N 1.81 1.15 0.00 5.97 0.00 -0.22 -0.11 121.76 130.36 3hwe s ALA 37 Ca -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3hwe s ALA 37 Cb -0.12 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3hwe s ALA 37 CO -0.06 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3hwe n GLY 38 N 0.35 2.25 0.22 0.00 0.00 -0.98 0.65 105.19 107.68 3hwe n GLY 38 Ca -0.15 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.32 1.61 -1.07 -1.67 -2.49 115.58 111.64 3hwe h ASN 39 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.33 3hwe h ASN 39 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 3hwe h ASN 39 CO 0.00 0.00 0.01 0.00 0.07 0.00 0.00 177.43 177.51 3hwe n ALA 40 N -2.01 3.32 -3.44 4.14 0.00 -1.26 -4.70 120.51 116.56 3hwe n ALA 40 Ca 0.02 -2.42 -0.36 0.00 0.00 0.00 0.00 53.44 50.68 3hwe n ALA 40 Cb 0.38 -0.77 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.90 3.46 0.02 0.00 -1.09 -0.94 -5.10 121.20 114.65 3hwe s ILE 41 Ca 0.44 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 58.18 3hwe s ILE 41 Cb 0.36 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 3hwe s ILE 41 CO 0.08 0.20 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.01 3hwe s LEU 42 N 1.44 2.38 -0.21 2.97 1.02 -1.26 -4.19 118.68 120.82 3hwe s LEU 42 Ca 0.02 -0.47 -0.29 0.00 0.02 0.00 0.00 54.13 53.42 3hwe s LEU 42 Cb -0.16 -1.41 0.00 0.00 0.02 0.00 0.00 46.19 44.64 3hwe s LEU 42 CO -0.01 0.28 1.12 -0.60 0.02 0.00 0.00 176.35 177.15 3hwe s ARG 43 N -1.16 4.25 -0.43 1.70 3.52 -0.17 -5.00 118.95 121.65 3hwe s ARG 43 Ca 0.12 1.46 0.01 0.00 -0.13 0.00 0.00 55.73 57.19 3hwe s ARG 43 Cb -0.10 -3.69 0.12 0.00 -1.56 0.00 0.00 34.95 29.72 3hwe s ARG 43 CO 0.03 -0.66 0.19 -1.21 -0.81 0.00 0.00 175.30 172.83 3hwe s GLU 44 N 3.32 1.87 0.53 5.12 8.01 -1.26 -4.95 118.70 131.33 3hwe s GLU 44 Ca 0.48 -2.10 0.27 0.00 0.01 0.00 0.00 54.97 53.63 3hwe s GLU 44 Cb -0.17 -3.40 1.47 0.00 -4.31 0.00 0.00 34.13 27.71 3hwe s GLU 44 CO 0.09 -1.04 2.08 -0.44 0.01 0.00 0.00 175.26 175.96 3hwe h ASP 45 N 7.43 0.00 0.69 -0.19 5.19 -1.99 -2.15 116.42 125.40 3hwe h ASP 45 Ca -0.07 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.31 3hwe h ASP 45 Cb 0.99 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.51 3hwe h ASP 45 CO 0.63 0.11 -0.33 0.11 -3.12 0.00 0.00 179.24 176.64 3hwe h LYS 46 N 0.00 -0.89 -3.12 3.56 1.57 -2.03 -3.37 116.57 112.28 3hwe h LYS 46 Ca -0.00 0.06 -0.63 0.00 -1.87 0.00 0.00 60.65 58.21 3hwe h LYS 46 Cb 0.31 0.20 -0.41 0.00 0.08 0.00 0.00 32.23 32.41 3hwe h LYS 46 CO 0.01 -0.59 -0.51 0.16 -0.57 0.00 0.00 179.45 177.95 3hwe s ASP 47 N -3.49 4.98 0.23 0.86 -4.77 -1.17 -5.10 116.67 108.22 3hwe s ASP 47 Ca -0.13 -3.83 -0.30 0.00 -3.30 0.00 0.00 52.55 44.99 3hwe s ASP 47 Cb 0.01 -1.68 -0.15 0.00 -1.09 0.00 0.00 42.92 40.02 3hwe s ASP 47 CO 0.40 -0.10 1.06 -0.81 0.70 0.00 0.00 175.17 176.42 3hwe n PRO 48 N 2.04 1.20 -1.66 2.11 -0.04 -0.82 -4.75 135.00 133.07 3hwe n PRO 48 Ca 0.20 0.42 -0.48 0.00 -0.04 0.00 0.00 63.50 63.60 3hwe n PRO 48 Cb 0.35 -1.84 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 3hwe n PRO 48 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hwe n GLN 49 N 1.24 2.01 -3.27 0.54 -0.06 -1.26 -4.90 117.38 111.68 3hwe n GLN 49 Ca 0.13 0.73 -0.33 0.00 -2.00 0.00 0.00 57.00 55.53 3hwe n GLN 49 Cb 0.28 -2.50 -0.06 0.00 -4.06 0.00 0.00 30.24 23.90 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 1.75 3.93 0.47 3.69 1.02 -1.26 -1.86 119.74 127.48 3hwe s LYS 50 Ca 0.84 0.50 -0.23 0.00 0.02 0.00 0.00 55.97 57.10 3hwe s LYS 50 Cb -0.73 -2.59 -0.07 0.00 -0.52 0.00 0.00 37.83 33.93 3hwe s LYS 50 CO 0.43 0.26 1.21 1.41 -0.92 0.00 0.00 175.35 177.75 3hwe s MET 51 N -2.77 3.65 0.30 1.68 -2.45 -0.52 -4.73 119.30 114.46 3hwe s MET 51 Ca 0.49 1.89 0.03 0.00 -1.25 0.00 0.00 55.69 56.85 3hwe s MET 51 Cb -0.11 -2.40 -0.04 0.00 1.25 0.00 0.00 34.83 33.53 3hwe s MET 51 CO 0.19 -0.67 0.15 1.52 1.05 0.00 0.00 175.02 177.26 3hwe s TYR 52 N -1.48 1.58 0.21 4.11 1.13 -1.26 -4.66 117.35 116.98 3hwe s TYR 52 Ca 0.65 -1.35 0.10 0.00 -1.41 0.00 0.00 57.07 55.05 3hwe s TYR 52 Cb -0.32 -0.85 -0.05 0.00 -1.10 0.00 0.00 41.96 39.65 3hwe s TYR 52 CO 0.38 -0.51 -0.19 0.00 -2.51 0.00 0.00 175.55 172.73 3hwe s ALA 53 N -3.64 2.31 -0.06 9.51 0.00 -1.00 -1.75 121.76 127.12 3hwe s ALA 53 Ca 0.36 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3hwe s ALA 53 Cb 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3hwe s ALA 53 CO 0.17 0.24 -0.02 0.99 0.00 0.00 0.00 175.76 177.13 3hwe s THR 54 N -2.35 0.45 -0.21 0.00 2.01 -0.07 -0.99 115.64 114.49 3hwe s THR 54 Ca 0.22 -0.01 -0.07 0.00 0.31 0.00 0.00 61.69 62.15 3hwe s THR 54 Cb -0.05 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 3hwe s THR 54 CO 0.10 0.23 0.04 -0.63 -0.69 0.00 0.00 174.62 173.67 3hwe s ILE 55 N 1.36 4.35 -0.29 1.82 1.09 0.18 -0.82 121.20 128.90 3hwe s ILE 55 Ca -0.04 -0.18 -0.10 0.00 -1.10 0.00 0.00 60.65 59.24 3hwe s ILE 55 Cb -0.13 -2.99 -0.02 0.00 -1.06 0.00 0.00 42.46 38.26 3hwe s ILE 55 CO -0.02 0.41 0.15 -0.31 -0.10 0.00 0.00 174.94 175.06 3hwe s TYR 56 N 0.99 3.17 -0.29 3.97 2.02 -0.42 -1.04 117.35 125.75 3hwe s TYR 56 Ca 0.03 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3hwe s TYR 56 Cb -0.14 -2.34 0.04 0.00 -0.40 0.00 0.00 41.96 39.12 3hwe s TYR 56 CO 0.03 -0.35 -0.02 -1.21 -1.57 0.00 0.00 175.55 172.43 3hwe s GLU 57 N 1.66 2.54 0.02 -0.62 2.02 -0.51 -0.87 118.70 122.94 3hwe s GLU 57 Ca 0.06 -1.19 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 3hwe s GLU 57 Cb -0.16 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 3hwe s GLU 57 CO 0.07 -0.56 1.18 -1.17 0.02 0.00 0.00 175.26 174.80 3hwe s LEU 58 N 1.27 4.34 0.32 1.80 0.20 -1.26 -1.28 118.68 124.08 3hwe s LEU 58 Ca -0.04 1.92 0.07 0.00 0.69 0.00 0.00 54.13 56.77 3hwe s LEU 58 Cb -0.19 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 41.98 3hwe s LEU 58 CO -0.02 -0.48 0.37 -0.54 -0.29 0.00 0.00 176.35 175.39 3hwe s LYS 59 N 1.38 2.99 0.41 1.98 1.02 0.25 -4.97 119.74 122.80 3hwe s LYS 59 Ca 0.57 -1.10 0.14 0.00 0.02 0.00 0.00 55.97 55.61 3hwe s LYS 59 Cb -0.27 -2.68 1.00 0.00 -0.52 0.00 0.00 37.83 35.36 3hwe s LYS 59 CO 0.27 0.14 1.90 1.05 -0.92 0.00 0.00 175.35 177.79 3hwe h GLU 60 N 1.11 0.47 -0.32 1.68 4.11 -1.96 0.65 114.58 120.31 3hwe h GLU 60 Ca -0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3hwe h GLU 60 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3hwe h GLU 60 CO 0.56 0.31 0.00 -0.40 0.07 0.00 0.00 179.01 179.55 3hwe n ASP 61 N -4.50 0.34 -0.88 3.06 5.75 -1.26 -4.87 116.55 114.19 3hwe n ASP 61 Ca 0.16 -2.00 -0.11 0.00 -0.01 0.00 0.00 54.79 52.82 3hwe n ASP 61 Cb 0.54 -0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.33 -0.83 -4.05 0.11 4.01 0.22 -5.01 118.16 112.28 3hwe n LYS 62 Ca 0.00 0.90 -0.22 0.00 -0.51 0.00 0.00 58.31 58.48 3hwe n LYS 62 Cb 0.08 -4.90 -0.06 0.00 -0.51 0.00 0.00 35.03 29.65 3hwe n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3hwe s SER 63 N -2.85 4.90 -0.14 4.39 1.04 -1.26 -4.51 113.70 115.28 3hwe s SER 63 Ca 0.00 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.73 3hwe s SER 63 Cb 0.00 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.21 3hwe s SER 63 CO 0.00 -0.25 0.10 -0.31 0.98 0.00 0.00 173.24 173.76 3hwe s TYR 64 N -2.35 3.41 -0.38 5.02 1.51 -0.80 -0.58 117.35 123.17 3hwe s TYR 64 Ca 0.37 0.33 -0.25 0.00 -1.01 0.00 0.00 57.07 56.52 3hwe s TYR 64 Cb -0.04 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3hwe s TYR 64 CO 0.24 0.48 0.89 -0.80 -1.11 0.00 0.00 175.55 175.24 3hwe s ASN 65 N -0.42 6.62 -0.24 2.29 0.01 -0.40 -1.77 114.94 121.02 3hwe s ASN 65 Ca 0.11 0.44 -0.07 0.00 -0.71 0.00 0.00 52.86 52.62 3hwe s ASN 65 Cb -0.12 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 3hwe s ASN 65 CO 0.02 -0.86 0.07 -0.69 -1.51 0.00 0.00 177.10 174.13 3hwe s VAL 66 N 3.43 4.40 -0.14 1.60 1.01 0.24 -1.43 120.40 129.51 3hwe s VAL 66 Ca 0.36 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3hwe s VAL 66 Cb -0.12 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3hwe s VAL 66 CO 0.20 0.35 -0.17 -0.89 0.00 0.00 0.00 175.10 174.58 3hwe s THR 67 N 1.50 1.72 -0.15 3.92 2.01 -0.21 -1.87 115.64 122.56 3hwe s THR 67 Ca 0.06 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 3hwe s THR 67 Cb -0.15 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 3hwe s THR 67 CO 0.04 0.48 0.01 -0.44 -0.69 0.00 0.00 174.62 174.02 3hwe s SER 68 N 1.18 5.24 -0.27 3.53 0.01 -0.91 0.51 113.70 122.99 3hwe s SER 68 Ca -0.01 0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.28 3hwe s SER 68 Cb -0.14 -1.78 0.05 0.00 0.21 0.00 0.00 66.02 64.36 3hwe s SER 68 CO -0.07 0.23 -0.05 -0.69 0.41 0.00 0.00 173.24 173.07 3hwe s VAL 69 N 0.02 2.69 0.29 3.43 1.01 -0.16 -2.07 120.40 125.62 3hwe s VAL 69 Ca 0.03 -1.37 0.10 0.00 0.00 0.00 0.00 61.98 60.74 3hwe s VAL 69 Cb -0.13 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3hwe s VAL 69 CO 0.02 0.00 -0.09 -0.76 0.00 0.00 0.00 175.10 174.27 3hwe s LEU 70 N 1.22 2.87 -0.39 3.92 1.02 -0.10 -2.38 118.68 124.84 3hwe s LEU 70 Ca -0.05 -0.91 -0.06 0.00 0.02 0.00 0.00 54.13 53.13 3hwe s LEU 70 Cb -0.19 -1.34 0.08 0.00 0.02 0.00 0.00 46.19 44.76 3hwe s LEU 70 CO -0.03 -0.04 0.20 0.12 0.02 0.00 0.00 176.35 176.61 3hwe s PHE 71 N -2.46 3.40 -0.01 0.29 5.99 -1.26 -0.37 117.98 123.56 3hwe s PHE 71 Ca 0.32 -1.85 0.01 0.00 0.00 0.00 0.00 56.93 55.40 3hwe s PHE 71 Cb -0.04 -2.89 0.01 0.00 0.00 0.00 0.00 43.02 40.10 3hwe s PHE 71 CO 0.18 -0.88 -0.03 1.03 -0.00 0.00 0.00 175.22 175.51 3hwe s ARG 72 N 1.31 0.38 -1.27 10.12 1.81 0.09 -4.86 118.95 126.52 3hwe s ARG 72 Ca 0.03 -0.10 -0.05 0.00 -1.72 0.00 0.00 55.73 53.89 3hwe s ARG 72 Cb -0.22 -0.40 -0.01 0.00 -0.45 0.00 0.00 34.95 33.87 3hwe s ARG 72 CO -0.00 0.03 0.67 1.63 -0.68 0.00 0.00 175.30 176.95 3hwe n LYS 73 N 3.31 -3.54 -2.41 3.54 4.01 -1.26 -1.72 118.16 120.09 3hwe n LYS 73 Ca -0.17 0.55 -0.13 0.00 -0.51 0.00 0.00 58.31 58.05 3hwe n LYS 73 Cb 0.56 -4.84 -0.01 0.00 -0.51 0.00 0.00 35.03 30.23 3hwe n LYS 73 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3hwe n LYS 74 N -4.21 -2.17 -3.86 1.97 5.02 -1.26 -4.94 118.16 108.71 3hwe n LYS 74 Ca -0.24 0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 56.58 3hwe n LYS 74 Cb 0.66 -5.23 -0.09 0.00 -0.02 0.00 0.00 35.03 30.35 3hwe n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hwe s LYS 75 N -4.98 0.63 -0.48 1.97 1.02 -0.70 -5.12 119.74 112.08 3hwe s LYS 75 Ca 0.00 -0.59 -0.25 0.00 0.02 0.00 0.00 55.97 55.15 3hwe s LYS 75 Cb 0.00 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.60 3hwe s LYS 75 CO 0.00 -0.17 0.90 0.00 -0.92 0.00 0.00 175.35 175.16 3hwe s ASP 77 N 2.35 6.69 -0.08 0.00 1.01 0.51 -4.95 116.67 122.19 3hwe s ASP 77 Ca 0.34 0.83 0.01 0.00 0.71 0.00 0.00 52.55 54.44 3hwe s ASP 77 Cb -0.11 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 3hwe s ASP 77 CO 0.24 -0.19 -0.10 -0.31 0.21 0.00 0.00 175.17 175.02 3hwe s TYR 78 N 1.54 2.85 -0.07 4.23 2.02 -1.26 -0.92 117.35 125.72 3hwe s TYR 78 Ca 0.28 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.75 3hwe s TYR 78 Cb -0.16 -1.74 0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3hwe s TYR 78 CO 0.11 0.14 0.16 1.67 -1.57 0.00 0.00 175.55 176.06 3hwe s TRP 79 N -0.44 -0.19 -0.05 2.71 1.48 -0.88 -5.02 118.94 116.56 3hwe s TRP 79 Ca 0.06 0.55 0.04 0.00 -1.06 0.00 0.00 56.10 55.69 3hwe s TRP 79 Cb -0.12 -0.11 -0.00 0.00 -1.16 0.00 0.00 33.47 32.08 3hwe s TRP 79 CO 0.02 -0.20 -0.18 0.42 -4.06 0.00 0.00 176.95 172.95 3hwe s ILE 80 N 1.44 1.52 0.27 0.66 1.09 -1.26 -2.13 121.20 122.79 3hwe s ILE 80 Ca -0.06 -0.76 -0.15 0.00 -1.10 0.00 0.00 60.65 58.57 3hwe s ILE 80 Cb -0.12 -1.31 0.01 0.00 -1.06 0.00 0.00 42.46 39.98 3hwe s ILE 80 CO -0.06 0.44 0.58 0.00 -0.10 0.00 0.00 174.94 175.79 3hwe s ARG 81 N 0.11 1.68 -0.11 2.79 3.03 -0.78 -5.02 118.95 120.64 3hwe s ARG 81 Ca -0.06 -1.19 0.00 0.00 2.03 0.00 0.00 55.73 56.51 3hwe s ARG 81 Cb -0.13 0.53 -0.02 0.00 -1.03 0.00 0.00 34.95 34.30 3hwe s ARG 81 CO 0.03 -0.73 -0.11 0.99 -1.13 0.00 0.00 175.30 174.34 3hwe s THR 82 N -3.85 3.23 -0.32 4.99 2.01 -1.26 -0.60 115.64 119.84 3hwe s THR 82 Ca 0.19 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 3hwe s THR 82 Cb -0.03 -2.34 -0.00 0.00 0.01 0.00 0.00 72.50 70.14 3hwe s THR 82 CO 0.09 0.54 0.16 -0.36 -0.69 0.00 0.00 174.62 174.36 3hwe s PHE 83 N 0.00 3.18 -0.14 4.92 2.99 -0.73 0.53 117.98 128.73 3hwe s PHE 83 Ca -0.03 -0.61 -0.11 0.00 0.00 0.00 0.00 56.93 56.17 3hwe s PHE 83 Cb -0.14 -2.36 -0.05 0.00 0.00 0.00 0.00 43.02 40.47 3hwe s PHE 83 CO 0.04 -0.47 0.24 0.08 -0.00 0.00 0.00 175.22 175.10 3hwe s VAL 84 N 1.61 5.34 0.14 -0.44 1.01 0.14 -1.91 120.40 126.28 3hwe s VAL 84 Ca 0.04 0.43 -0.35 0.00 0.00 0.00 0.00 61.98 62.10 3hwe s VAL 84 Cb -0.17 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 3hwe s VAL 84 CO 0.06 0.48 1.47 -2.65 0.00 0.00 0.00 175.10 174.46 3hwe n PRO 85 N 2.97 1.75 0.00 2.72 -0.02 -1.26 -0.15 135.00 141.01 3hwe n PRO 85 Ca -0.15 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hwe n PRO 85 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.99 1.52 0.34 -1.23 0.00 0.01 -4.72 105.19 104.10 3hwe n GLY 86 Ca 0.17 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3hwe n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hwe h SER 87 N 0.00 0.81 -4.14 1.61 0.02 -1.94 -3.42 113.55 106.49 3hwe h SER 87 Ca 0.00 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.39 3hwe h SER 87 Cb 0.00 -0.20 -0.21 0.00 0.14 0.00 0.00 62.40 62.13 3hwe h SER 87 CO 0.00 0.60 -0.81 -1.10 -1.14 0.00 0.00 176.83 174.38 3hwe s GLN 88 N -5.76 1.10 0.20 3.45 -1.52 -1.26 -5.09 119.66 110.78 3hwe s GLN 88 Ca -0.11 -1.17 -0.32 0.00 -1.95 0.00 0.00 55.36 51.81 3hwe s GLN 88 Cb 0.18 -1.29 -0.12 0.00 -0.22 0.00 0.00 33.01 31.56 3hwe s GLN 88 CO 0.78 0.29 1.72 -2.30 -0.25 0.00 0.00 175.29 175.52 3hwe n PRO 89 N 0.99 2.72 0.00 2.91 -0.02 -1.26 -1.43 135.00 138.91 3hwe n PRO 89 Ca -0.19 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3hwe n PRO 89 Cb 0.54 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 3hwe n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwe n GLY 90 N 3.93 3.09 3.89 -1.23 0.00 -1.26 -4.62 105.19 108.98 3hwe n GLY 90 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3hwe n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hwe s GLU 91 N -0.68 3.67 -0.01 1.61 2.02 -0.51 -1.91 118.70 122.89 3hwe s GLU 91 Ca 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.96 3hwe s GLU 91 Cb 0.00 -2.84 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 3hwe s GLU 91 CO 0.00 0.46 0.07 -0.06 0.02 0.00 0.00 175.26 175.75 3hwe s PHE 92 N -1.64 0.05 0.28 1.61 0.40 0.05 -0.81 117.98 117.92 3hwe s PHE 92 Ca 0.41 -0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.71 3hwe s PHE 92 Cb -0.12 -0.06 -0.04 0.00 0.51 0.00 0.00 43.02 43.32 3hwe s PHE 92 CO 0.23 -0.16 0.18 0.95 0.70 0.00 0.00 175.22 177.11 3hwe s THR 93 N -0.83 3.89 -0.05 0.64 -4.23 0.79 -0.48 115.64 115.36 3hwe s THR 93 Ca -0.09 -1.52 -0.25 0.00 -1.18 0.00 0.00 61.69 58.65 3hwe s THR 93 Cb -0.05 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 3hwe s THR 93 CO 0.00 -0.29 0.78 -0.22 -0.54 0.00 0.00 174.62 174.34 3hwe s LEU 94 N -3.85 4.32 0.10 4.79 2.96 -1.26 0.23 118.68 125.98 3hwe s LEU 94 Ca 0.35 1.31 -0.31 0.00 -0.22 0.00 0.00 54.13 55.26 3hwe s LEU 94 Cb -0.06 -3.21 -0.07 0.00 0.50 0.00 0.00 46.19 43.34 3hwe s LEU 94 CO 0.24 -0.16 1.36 -0.83 -1.32 0.00 0.00 176.35 175.64 3hwe s GLY 95 N 0.87 2.03 -1.11 7.98 0.00 0.19 -3.78 107.32 113.48 3hwe s GLY 95 Ca 0.41 1.06 -0.09 0.00 0.00 0.00 0.00 44.72 46.11 3hwe s GLY 95 CO 0.20 2.31 0.87 -2.01 0.00 0.00 0.00 173.10 174.48 3hwe n ASN 96 N 4.05 -5.32 0.08 1.64 4.05 -1.26 -4.59 115.26 113.91 3hwe n ASN 96 Ca 0.11 -0.80 0.02 0.00 0.45 0.00 0.00 54.58 54.37 3hwe n ASN 96 Cb 0.43 -4.58 0.38 0.00 1.23 0.00 0.00 39.78 37.24 3hwe n ASN 96 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 177.26 173.92 3hwe h ILE 97 N -1.46 1.16 0.00 -1.44 2.10 -1.96 -3.05 117.51 112.87 3hwe h ILE 97 Ca -0.62 -0.66 0.00 0.00 1.08 0.00 0.00 64.86 64.66 3hwe h ILE 97 Cb 1.33 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3hwe h ILE 97 CO 0.47 0.22 0.00 1.17 -1.08 0.00 0.00 178.15 178.93 3hwe n LYS 98 N -4.32 0.28 -0.03 2.19 4.81 -1.26 -1.25 118.16 118.58 3hwe n LYS 98 Ca 0.00 0.09 0.12 0.00 -0.87 0.00 0.00 58.31 57.65 3hwe n LYS 98 Cb 0.22 -1.50 0.49 0.00 0.02 0.00 0.00 35.03 34.26 3hwe n LYS 98 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3hwe n SER 99 N -1.31 1.41 -4.33 3.14 3.41 -1.15 -4.71 113.62 110.07 3hwe n SER 99 Ca 0.10 -1.55 -0.39 0.00 -0.26 0.00 0.00 58.87 56.76 3hwe n SER 99 Cb 0.18 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.91 3.25 0.32 7.33 1.51 -0.38 -5.07 117.35 122.39 3hwe s TYR 100 Ca 0.36 -1.17 -0.29 0.00 -1.01 0.00 0.00 57.07 54.95 3hwe s TYR 100 Cb 0.19 -2.39 -0.11 0.00 -0.11 0.00 0.00 41.96 39.54 3hwe s TYR 100 CO 0.30 -0.69 1.54 -2.14 -1.11 0.00 0.00 175.55 173.45 3hwe s PRO 101 N 1.49 4.14 0.00 -1.71 0.02 -1.26 -2.18 135.00 135.50 3hwe s PRO 101 Ca 0.00 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3hwe s PRO 101 Cb -0.19 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.31 3hwe s PRO 101 CO 0.05 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3hwe n GLY 102 N 1.60 2.99 3.61 0.52 0.00 -1.26 -4.89 105.19 107.75 3hwe n GLY 102 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 3.82 0.00 0.99 2.96 -0.92 -1.41 118.68 124.12 3hwe s LEU 103 Ca 0.00 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 54.58 3hwe s LEU 103 Cb 0.00 -3.45 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 3hwe s LEU 103 CO 0.00 -1.06 0.44 0.35 -1.32 0.00 0.00 176.35 174.76 3hwe n THR 104 N 6.39 0.00 -3.70 3.68 -2.24 -0.73 -4.73 114.28 112.94 3hwe n THR 104 Ca 0.10 -0.33 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 3hwe n THR 104 Cb 0.48 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.65 -0.38 -0.29 3.42 0.15 -1.13 -4.96 113.70 108.87 3hwe s SER 105 Ca 0.05 0.52 -0.13 0.00 0.70 0.00 0.00 55.95 57.08 3hwe s SER 105 Cb 0.07 0.59 0.10 0.00 -1.71 0.00 0.00 66.02 65.07 3hwe s SER 105 CO 0.32 -0.36 0.67 -0.47 1.20 0.00 0.00 173.24 174.59 3hwe s TYR 106 N -0.69 -1.19 0.00 3.44 6.14 -1.26 -2.04 117.35 121.77 3hwe s TYR 106 Ca -0.08 2.22 0.02 0.00 0.64 0.00 0.00 57.07 59.87 3hwe s TYR 106 Cb -0.04 0.71 -0.01 0.00 0.42 0.00 0.00 41.96 43.04 3hwe s TYR 106 CO 0.04 -0.59 -0.08 -1.17 0.64 0.00 0.00 175.55 174.39 3hwe s LEU 107 N 2.19 2.06 -0.03 6.97 2.96 0.53 -4.04 118.68 129.32 3hwe s LEU 107 Ca -0.08 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3hwe s LEU 107 Cb -0.08 -0.35 -0.01 0.00 0.50 0.00 0.00 46.19 46.24 3hwe s LEU 107 CO -0.19 0.04 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.98 3hwe s VAL 108 N -0.39 1.68 -0.04 1.68 1.01 0.37 -1.27 120.40 123.45 3hwe s VAL 108 Ca 0.01 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3hwe s VAL 108 Cb -0.04 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.96 3hwe s VAL 108 CO -0.00 0.48 0.06 -0.60 0.00 0.00 0.00 175.10 175.04 3hwe s ARG 109 N -0.36 -0.07 -0.27 2.72 3.52 0.82 -0.77 118.95 124.54 3hwe s ARG 109 Ca 0.04 0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 55.70 3hwe s ARG 109 Cb -0.10 -0.45 -0.00 0.00 -1.56 0.00 0.00 34.95 32.85 3hwe s ARG 109 CO 0.00 -0.30 1.28 0.08 -0.81 0.00 0.00 175.30 175.56 3hwe s VAL 110 N 1.96 4.19 -0.08 7.11 1.01 -0.81 0.69 120.40 134.48 3hwe s VAL 110 Ca 0.02 1.37 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 3hwe s VAL 110 Cb -0.12 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 3hwe s VAL 110 CO -0.03 -0.41 0.62 0.58 0.00 0.00 0.00 175.10 175.86 3hwe h VAL 111 N 5.86 0.75 -2.38 2.92 2.07 -0.89 -0.18 116.25 124.40 3hwe h VAL 111 Ca -0.26 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 3hwe h VAL 111 Cb 1.10 1.34 -0.17 0.00 -1.52 0.00 0.00 31.29 32.03 3hwe h VAL 111 CO 1.02 0.22 0.15 -0.94 0.02 0.00 0.00 177.57 178.04 3hwe s SER 112 N -5.59 -0.58 -0.15 0.57 1.04 -1.11 -2.35 113.70 105.53 3hwe s SER 112 Ca -0.10 0.46 -0.29 0.00 0.48 0.00 0.00 55.95 56.49 3hwe s SER 112 Cb -0.00 0.53 0.10 0.00 0.10 0.00 0.00 66.02 66.75 3hwe s SER 112 CO 0.38 -0.69 0.86 0.28 0.98 0.00 0.00 173.24 175.05 3hwe s THR 113 N -1.93 0.00 -1.76 2.02 -1.32 -1.26 -0.40 115.64 110.99 3hwe s THR 113 Ca -0.08 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.59 3hwe s THR 113 Cb -0.01 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.42 3hwe s THR 113 CO 0.03 0.00 1.36 -0.46 -2.21 0.00 0.00 174.62 173.34 3hwe n ASN 114 N 1.17 3.35 0.00 8.08 0.23 -1.10 -5.02 115.26 121.97 3hwe n ASN 114 Ca -0.14 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 3hwe n ASN 114 Cb 0.57 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 3hwe n ASN 114 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hwe n TYR 115 N 1.19 0.00 0.28 -2.53 4.01 -1.25 -4.44 117.16 114.42 3hwe n TYR 115 Ca 0.18 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 58.07 3hwe n TYR 115 Cb 0.53 0.00 0.52 0.00 -0.31 0.00 0.00 39.34 40.09 3hwe n TYR 115 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3hwe h ASN 116 N 0.00 0.00 0.00 7.72 -0.26 -1.95 -3.43 115.58 117.66 3hwe h ASN 116 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hwe h ASN 116 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hwe h ASN 116 CO 0.00 0.00 0.00 1.67 -1.06 0.00 0.00 177.43 178.04 3hwe n GLN 117 N -3.02 0.00 -4.20 0.81 7.27 -1.26 -4.74 117.38 112.24 3hwe n GLN 117 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.97 3hwe n GLN 117 Cb 0.37 -0.16 -0.10 0.00 2.41 0.00 0.00 30.24 32.76 3hwe n GLN 117 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 3hwe s HIS 118 N -1.84 1.05 -0.17 3.69 -3.43 -1.26 -0.22 115.29 113.11 3hwe s HIS 118 Ca 0.00 -1.12 -0.28 0.00 -0.80 0.00 0.00 55.06 52.86 3hwe s HIS 118 Cb 0.00 -0.60 0.09 0.00 -1.43 0.00 0.00 32.58 30.64 3hwe s HIS 118 CO 0.00 -0.35 0.81 0.00 -2.00 0.00 0.00 174.74 173.19 3hwe s ALA 119 N -3.84 -1.83 -0.11 -1.38 0.00 -0.07 -2.71 121.76 111.82 3hwe s ALA 119 Ca 0.24 1.66 0.04 0.00 0.00 0.00 0.00 51.96 53.90 3hwe s ALA 119 Cb 0.07 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3hwe s ALA 119 CO 0.03 -0.33 -0.23 -1.64 0.00 0.00 0.00 175.76 173.59 3hwe s MET 120 N -0.50 3.04 -0.03 0.00 -1.94 0.46 0.14 119.30 120.46 3hwe s MET 120 Ca -0.04 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 3hwe s MET 120 Cb -0.02 -2.34 0.00 0.00 2.01 0.00 0.00 34.83 34.48 3hwe s MET 120 CO 0.03 0.12 -0.12 0.08 -0.01 0.00 0.00 175.02 175.12 3hwe s VAL 121 N 0.49 1.05 -0.18 -6.03 1.01 -0.95 -0.41 120.40 115.37 3hwe s VAL 121 Ca -0.15 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3hwe s VAL 121 Cb -0.17 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3hwe s VAL 121 CO 0.06 0.32 0.12 0.12 0.00 0.00 0.00 175.10 175.71 3hwe s PHE 122 N 0.17 3.42 -0.05 5.22 2.19 0.22 -1.70 117.98 127.45 3hwe s PHE 122 Ca -0.04 0.32 0.04 0.00 0.33 0.00 0.00 56.93 57.58 3hwe s PHE 122 Cb -0.10 -2.10 -0.00 0.00 -1.31 0.00 0.00 43.02 39.51 3hwe s PHE 122 CO 0.01 0.35 -0.16 -0.06 1.83 0.00 0.00 175.22 177.20 3hwe s PHE 123 N 0.09 1.62 -0.01 10.12 0.08 -0.50 -0.13 117.98 129.26 3hwe s PHE 123 Ca 0.09 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3hwe s PHE 123 Cb -0.11 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.23 3hwe s PHE 123 CO -0.01 -0.18 -0.01 0.21 -0.10 0.00 0.00 175.22 175.13 3hwe s LYS 124 N 0.14 0.18 0.01 0.44 2.20 -0.39 -1.02 119.74 121.30 3hwe s LYS 124 Ca -0.05 -0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.52 3hwe s LYS 124 Cb -0.12 -0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 35.95 3hwe s LYS 124 CO 0.02 -0.01 0.02 -1.59 -0.36 0.00 0.00 175.35 173.43 3hwe s LYS 125 N 0.28 0.31 -0.32 4.03 -2.85 -0.09 -0.35 119.74 120.77 3hwe s LYS 125 Ca -0.02 -0.48 -0.03 0.00 -1.00 0.00 0.00 55.97 54.44 3hwe s LYS 125 Cb -0.05 0.12 0.05 0.00 -2.06 0.00 0.00 37.83 35.89 3hwe s LYS 125 CO -0.01 -0.06 0.04 0.08 0.10 0.00 0.00 175.35 175.50 3hwe s VAL 126 N -1.25 3.22 -0.12 1.79 1.01 -0.86 -0.68 120.40 123.51 3hwe s VAL 126 Ca -0.14 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 60.52 3hwe s VAL 126 Cb -0.08 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3hwe s VAL 126 CO -0.00 -0.15 -0.17 -0.55 0.00 0.00 0.00 175.10 174.23 3hwe s SER 127 N 1.32 2.62 -1.41 3.32 0.15 -0.68 -1.78 113.70 117.24 3hwe s SER 127 Ca -0.04 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.09 3hwe s SER 127 Cb -0.20 -1.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.96 3hwe s SER 127 CO -0.00 0.03 0.72 0.00 1.20 0.00 0.00 173.24 175.19 3hwe n GLN 128 N 4.16 -4.65 -2.18 5.44 6.02 -0.50 -1.86 117.38 123.81 3hwe n GLN 128 Ca -0.19 0.56 -0.15 0.00 -0.01 0.00 0.00 57.00 57.20 3hwe n GLN 128 Cb 0.51 -5.12 -0.02 0.00 1.02 0.00 0.00 30.24 26.63 3hwe n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3hwe n ASN 129 N -2.96 -4.41 -4.20 1.08 5.03 -1.26 -4.98 115.26 103.56 3hwe n ASN 129 Ca -0.19 0.19 -0.31 0.00 0.87 0.00 0.00 54.58 55.14 3hwe n ASN 129 Cb 0.63 -3.79 -0.17 0.00 -1.02 0.00 0.00 39.78 35.43 3hwe n ASN 129 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hwe s ARG 130 N -4.60 2.76 -0.45 3.52 0.52 -0.78 -5.11 118.95 114.81 3hwe s ARG 130 Ca 0.00 -0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 54.20 3hwe s ARG 130 Cb 0.00 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.36 3hwe s ARG 130 CO 0.00 0.20 0.57 -2.00 0.02 0.00 0.00 175.30 174.09 3hwe s GLU 131 N 0.28 3.17 -0.00 3.54 2.12 -1.26 -1.68 118.70 124.86 3hwe s GLU 131 Ca -0.15 -0.67 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 3hwe s GLU 131 Cb -0.17 -4.00 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 3hwe s GLU 131 CO 0.07 -1.02 0.11 0.71 -0.54 0.00 0.00 175.26 174.59 3hwe s TYR 132 N 2.53 3.37 -0.01 5.30 1.51 0.15 -4.67 117.35 125.51 3hwe s TYR 132 Ca 0.17 0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 56.43 3hwe s TYR 132 Cb -0.17 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3hwe s TYR 132 CO 0.15 0.58 0.10 -0.59 -1.11 0.00 0.00 175.55 174.68 3hwe s PHE 133 N -1.25 0.01 0.15 2.71 -0.71 -1.26 -0.91 117.98 116.72 3hwe s PHE 133 Ca 0.25 -0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 56.12 3hwe s PHE 133 Cb -0.12 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 3hwe s PHE 133 CO 0.16 -0.17 0.08 -1.59 -1.34 0.00 0.00 175.22 172.36 3hwe s LYS 134 N -0.74 1.02 -0.04 1.99 -2.85 -0.19 -1.79 119.74 117.15 3hwe s LYS 134 Ca -0.08 -1.51 -0.00 0.00 -1.00 0.00 0.00 55.97 53.38 3hwe s LYS 134 Cb -0.05 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 35.99 3hwe s LYS 134 CO 0.00 -0.30 0.01 0.42 0.10 0.00 0.00 175.35 175.58 3hwe s ILE 135 N -4.08 0.18 -0.03 3.79 1.01 0.21 -1.41 121.20 120.87 3hwe s ILE 135 Ca 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 3hwe s ILE 135 Cb 0.07 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3hwe s ILE 135 CO 0.05 0.17 0.04 0.42 0.00 0.00 0.00 174.94 175.62 3hwe s THR 136 N 1.28 4.51 -0.45 2.92 -4.23 -0.69 -1.05 115.64 117.93 3hwe s THR 136 Ca -0.06 -0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 3hwe s THR 136 Cb -0.13 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.79 3hwe s THR 136 CO -0.02 0.43 0.32 -0.22 -0.54 0.00 0.00 174.62 174.59 3hwe s LEU 137 N -1.45 5.42 0.01 4.79 0.20 0.10 -2.25 118.68 125.51 3hwe s LEU 137 Ca 0.19 -1.53 -0.22 0.00 0.69 0.00 0.00 54.13 53.26 3hwe s LEU 137 Cb -0.12 -2.06 -0.05 0.00 -0.43 0.00 0.00 46.19 43.53 3hwe s LEU 137 CO 0.10 -0.61 0.66 -0.31 -0.29 0.00 0.00 176.35 175.90 3hwe s TYR 138 N 1.49 3.70 -0.05 5.38 2.02 0.36 -1.87 117.35 128.38 3hwe s TYR 138 Ca 0.04 1.30 0.04 0.00 -0.37 0.00 0.00 57.07 58.08 3hwe s TYR 138 Cb -0.24 -2.70 -0.00 0.00 -0.40 0.00 0.00 41.96 38.62 3hwe s TYR 138 CO 0.03 0.31 -0.17 0.20 -1.57 0.00 0.00 175.55 174.35 3hwe s GLY 139 N -0.08 0.94 0.50 0.71 0.00 0.89 -0.89 107.32 109.38 3hwe s GLY 139 Ca 0.34 -0.69 0.28 0.00 0.00 0.00 0.00 44.72 44.66 3hwe s GLY 139 CO 0.19 -0.32 1.95 -0.09 0.00 0.00 0.00 173.10 174.84 3hwe h ARG 140 N 6.33 0.00 0.00 2.90 9.65 -0.89 0.26 114.38 132.63 3hwe h ARG 140 Ca -0.32 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 57.97 3hwe h ARG 140 Cb 1.18 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.64 3hwe h ARG 140 CO 0.48 0.13 -0.44 0.25 2.80 0.00 0.00 179.97 183.19 3hwe n THR 141 N -3.36 0.00 0.41 0.20 -2.24 -1.26 -4.78 114.28 103.25 3hwe n THR 141 Ca -0.00 -2.21 0.12 0.00 -2.27 0.00 0.00 64.05 59.68 3hwe n THR 141 Cb 0.33 0.50 0.19 0.00 -2.10 0.00 0.00 70.33 69.25 3hwe n THR 141 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hwe h LYS 142 N 0.00 0.00 -6.90 -0.78 1.57 -1.95 -3.42 116.57 105.08 3hwe h LYS 142 Ca -0.37 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.91 3hwe h LYS 142 Cb 1.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.50 3hwe h LYS 142 CO 0.62 0.00 0.14 -1.83 -0.57 0.00 0.00 179.45 177.80 3hwe s GLU 143 N -3.20 3.70 0.15 3.15 1.03 -1.26 -4.84 118.70 117.42 3hwe s GLU 143 Ca 0.06 0.41 0.01 0.00 0.03 0.00 0.00 54.97 55.48 3hwe s GLU 143 Cb 0.10 -2.37 -0.00 0.00 -0.80 0.00 0.00 34.13 31.07 3hwe s GLU 143 CO 0.70 -0.12 0.02 1.28 -1.33 0.00 0.00 175.26 175.81 3hwe n LEU 144 N -1.66 0.00 -4.77 1.83 4.77 -1.26 -4.81 117.00 111.10 3hwe n LEU 144 Ca 0.02 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.69 3hwe n LEU 144 Cb 0.54 0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.94 3hwe n LEU 144 CO 0.50 -0.15 0.70 0.42 -1.33 0.00 0.00 177.39 177.53 3hwe s THR 145 N -1.80 3.30 0.24 -5.08 -4.23 -1.26 -4.87 115.64 101.94 3hwe s THR 145 Ca 0.03 0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 60.90 3hwe s THR 145 Cb 0.00 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 71.08 3hwe s THR 145 CO 0.02 -0.55 1.89 0.28 -0.54 0.00 0.00 174.62 175.72 3hwe h SER 146 N -1.13 1.15 -0.64 3.99 0.02 -2.03 -2.09 113.55 112.81 3hwe h SER 146 Ca -0.45 -0.07 0.05 0.00 -0.84 0.00 0.00 61.79 60.48 3hwe h SER 146 Cb 1.24 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 63.44 3hwe h SER 146 CO 0.54 0.87 0.37 -0.08 -1.14 0.00 0.00 176.83 177.39 3hwe h GLU 147 N 1.32 0.68 -0.13 3.45 4.81 -1.98 0.13 114.58 122.85 3hwe h GLU 147 Ca 0.34 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 3hwe h GLU 147 Cb -0.07 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.17 3hwe h GLU 147 CO -0.07 0.45 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.09 3hwe h LEU 148 N 0.70 0.67 -0.12 1.64 3.38 -1.89 -0.93 115.31 118.76 3hwe h LEU 148 Ca 0.28 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3hwe h LEU 148 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3hwe h LEU 148 CO -0.15 1.18 -0.05 0.11 0.09 0.00 0.00 178.44 179.62 3hwe h LYS 149 N 0.21 -0.03 0.00 1.13 1.57 -1.16 -1.37 116.57 116.92 3hwe h LYS 149 Ca -0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3hwe h LYS 149 Cb 1.14 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3hwe h LYS 149 CO 0.11 -0.02 -0.32 1.49 -0.57 0.00 0.00 179.45 180.14 3hwe h GLU 150 N -0.03 0.00 -0.55 3.15 4.57 -0.74 -1.56 114.58 119.43 3hwe h GLU 150 Ca 0.07 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3hwe h GLU 150 Cb 0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3hwe h GLU 150 CO -0.14 0.32 0.12 -0.91 -1.18 0.00 0.00 179.01 177.22 3hwe h ASN 151 N 0.00 0.85 -0.66 1.04 2.35 -0.84 -2.45 115.58 115.88 3hwe h ASN 151 Ca -0.00 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.47 3hwe h ASN 151 Cb 0.62 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3hwe h ASN 151 CO 0.04 0.88 0.28 0.15 -1.65 0.00 0.00 177.43 177.13 3hwe h PHE 152 N 0.79 0.98 -0.69 1.19 3.04 -0.37 -1.88 116.94 120.01 3hwe h PHE 152 Ca 0.17 -0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 3hwe h PHE 152 Cb 0.37 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 3hwe h PHE 152 CO 0.03 0.76 0.13 0.82 -2.02 0.00 0.00 178.31 178.03 3hwe h ILE 153 N 0.92 1.26 -0.51 1.41 2.04 -1.28 -0.94 117.51 120.42 3hwe h ILE 153 Ca 0.22 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 3hwe h ILE 153 Cb 0.18 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3hwe h ILE 153 CO -0.02 0.39 0.03 0.03 0.00 0.00 0.00 178.15 178.57 3hwe h ARG 154 N 1.06 0.84 0.07 2.37 3.08 -1.22 -1.55 114.38 119.02 3hwe h ARG 154 Ca 0.21 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hwe h ARG 154 Cb 0.42 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3hwe h ARG 154 CO 0.01 0.82 -0.03 0.35 -1.07 0.00 0.00 179.97 180.05 3hwe h PHE 155 N 0.78 -0.09 -0.51 3.04 3.57 -1.11 -1.91 116.94 120.72 3hwe h PHE 155 Ca 0.15 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.76 3hwe h PHE 155 Cb 0.44 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.11 3hwe h PHE 155 CO 0.02 0.42 -0.15 0.77 -2.23 0.00 0.00 178.31 177.15 3hwe h SER 156 N -0.66 -0.53 -0.36 0.41 0.02 -1.17 -0.87 113.55 110.39 3hwe h SER 156 Ca -0.01 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3hwe h SER 156 Cb 0.55 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 3hwe h SER 156 CO 0.02 -0.19 0.19 0.11 -1.14 0.00 0.00 176.83 175.82 3hwe h LYS 157 N -0.02 0.54 0.00 3.45 1.57 -1.30 -1.66 116.57 119.15 3hwe h LYS 157 Ca 0.25 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3hwe h LYS 157 Cb 0.40 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hwe h LYS 157 CO -0.54 0.42 -0.06 0.66 -0.57 0.00 0.00 179.45 179.35 3hwe h SER 158 N 0.54 0.00 -0.21 0.86 4.64 -0.33 -1.78 113.55 117.27 3hwe h SER 158 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3hwe h SER 158 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3hwe h SER 158 CO -0.02 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 3hwe n LEU 159 N -3.22 1.95 0.00 5.97 4.77 -0.65 -4.94 117.00 120.89 3hwe n LEU 159 Ca -0.00 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3hwe n LEU 159 Cb 0.31 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3hwe n LEU 159 CO 0.28 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3hwe n GLY 160 N 1.18 0.85 3.71 -0.72 0.00 -0.67 -4.56 105.19 104.99 3hwe n GLY 160 Ca 0.16 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 4.22 0.95 0.99 1.43 -1.07 -5.01 118.68 120.19 3hwe s LEU 161 Ca 0.00 0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 3hwe s LEU 161 Cb 0.00 -2.39 0.17 0.00 0.03 0.00 0.00 46.19 44.00 3hwe s LEU 161 CO 0.00 0.06 1.24 -2.16 0.23 0.00 0.00 176.35 175.72 3hwe s PRO 162 N 0.68 0.80 0.26 1.29 0.04 -1.26 -3.98 135.00 132.83 3hwe s PRO 162 Ca 0.17 -0.16 -0.02 0.00 0.04 0.00 0.00 61.00 61.03 3hwe s PRO 162 Cb -0.13 -1.84 0.33 0.00 0.04 0.00 0.00 34.50 32.90 3hwe s PRO 162 CO 0.05 -2.35 1.76 0.93 0.04 0.00 0.00 177.00 177.43 3hwe h GLU 163 N -1.60 0.81 0.00 4.56 5.08 -1.99 -2.34 114.58 119.10 3hwe h GLU 163 Ca -0.46 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 3hwe h GLU 163 Cb 1.28 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hwe h GLU 163 CO 0.47 0.80 0.00 0.27 -1.00 0.00 0.00 179.01 179.56 3hwe n ASN 164 N -4.22 0.40 -1.68 1.42 6.94 -1.26 -0.68 115.26 116.18 3hwe n ASN 164 Ca 0.03 0.65 0.09 0.00 -0.02 0.00 0.00 54.58 55.32 3hwe n ASN 164 Cb 0.29 -0.71 0.37 0.00 -2.36 0.00 0.00 39.78 37.38 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 -1.99 1.65 -3.97 -2.53 8.25 -0.88 -1.00 115.22 114.74 3hwe n HIS 165 Ca 0.01 -0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 56.53 3hwe n HIS 165 Cb 0.10 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 30.74 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 -2.07 1.46 0.09 1.59 1.01 0.14 -2.32 121.20 121.11 3hwe s ILE 166 Ca 0.53 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 60.49 3hwe s ILE 166 Cb 0.35 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3hwe s ILE 166 CO 0.23 0.25 -0.21 -0.69 0.00 0.00 0.00 174.94 174.53 3hwe s VAL 167 N 1.50 1.70 -0.44 2.92 1.01 0.84 -4.92 120.40 123.00 3hwe s VAL 167 Ca 0.01 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.54 3hwe s VAL 167 Cb -0.15 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.81 3hwe s VAL 167 CO -0.09 -0.02 0.19 -0.36 0.00 0.00 0.00 175.10 174.82 3hwe s PHE 168 N -1.10 2.96 0.20 5.22 0.40 -1.26 -0.52 117.98 123.88 3hwe s PHE 168 Ca 0.07 -2.86 -0.32 0.00 -0.60 0.00 0.00 56.93 53.21 3hwe s PHE 168 Cb -0.10 -2.56 -0.14 0.00 0.51 0.00 0.00 43.02 40.72 3hwe s PHE 168 CO 0.04 -0.81 1.36 -2.30 0.70 0.00 0.00 175.22 174.21 3hwe n PRO 169 N 3.64 1.76 -2.54 0.24 -0.02 -1.26 -4.92 135.00 131.90 3hwe n PRO 169 Ca 0.05 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3hwe n PRO 169 Cb 0.36 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 3hwe n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hwe s VAL 170 N 0.09 4.13 0.47 -1.45 -7.23 -0.78 -4.51 120.40 111.12 3hwe s VAL 170 Ca 0.72 1.69 -0.24 0.00 -1.81 0.00 0.00 61.98 62.35 3hwe s VAL 170 Cb -0.73 -4.08 -0.08 0.00 0.56 0.00 0.00 36.38 32.05 3hwe s VAL 170 CO 0.48 0.22 1.21 -2.65 -0.31 0.00 0.00 175.10 174.06 3hwe n PRO 171 N 3.05 1.69 -4.16 4.82 -0.02 -1.26 -1.44 135.00 137.68 3hwe n PRO 171 Ca 0.05 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 62.03 3hwe n PRO 171 Cb 0.47 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.26 0.04 -0.39 4.25 -4.36 -1.26 -4.87 121.20 113.35 3hwe s ILE 172 Ca 0.65 -1.90 0.15 0.00 -0.26 0.00 0.00 60.65 59.29 3hwe s ILE 172 Cb -0.49 -2.30 -0.19 0.00 1.25 0.00 0.00 42.46 40.73 3hwe s ILE 172 CO 0.55 -0.16 0.49 0.47 0.24 0.00 0.00 174.94 176.53 3hwe n ASP 173 N -0.22 1.08 -4.72 4.36 10.43 -1.26 -4.89 116.55 121.34 3hwe n ASP 173 Ca -0.01 -0.46 -0.41 0.00 2.57 0.00 0.00 54.79 56.47 3hwe n ASP 173 Cb 0.65 1.31 -0.04 0.00 1.84 0.00 0.00 41.12 44.88 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 -2.68 4.59 0.00 -1.24 -0.21 -1.26 -4.31 119.66 114.55 3hwe s GLN 174 Ca 0.01 1.37 0.00 0.00 0.02 0.00 0.00 55.36 56.75 3hwe s GLN 174 Cb 0.10 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.69 3hwe s GLN 174 CO 0.61 0.07 0.00 0.00 -2.12 0.00 0.00 175.29 173.85 3hwe n ILE 176 N 0.00 0.48 -0.11 0.00 -5.35 -1.26 -4.95 119.36 108.17 3hwe n ILE 176 Ca 0.00 -0.73 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 3hwe n ILE 176 Cb 0.00 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 3hwe n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26