#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwe s ASP 6 N 0.00 4.64 0.02 6.43 1.01 -1.26 -5.14 116.67 122.37 3hwe s ASP 6 Ca 0.00 -0.26 0.08 0.00 0.71 0.00 0.00 52.55 53.07 3hwe s ASP 6 Cb 0.00 -1.01 -0.02 0.00 1.01 0.00 0.00 42.92 42.90 3hwe s ASP 6 CO 0.00 0.20 -0.23 -0.76 0.21 0.00 0.00 175.17 174.60 3hwe s LEU 7 N -2.03 2.11 0.16 1.23 1.43 -1.26 -5.10 118.68 115.22 3hwe s LEU 7 Ca 0.22 -0.49 -0.32 0.00 -1.03 0.00 0.00 54.13 52.51 3hwe s LEU 7 Cb -0.11 -1.13 -0.10 0.00 0.03 0.00 0.00 46.19 44.88 3hwe s LEU 7 CO 0.13 0.23 1.67 -0.63 0.23 0.00 0.00 176.35 177.99 3hwe s ILE 8 N -0.68 2.46 0.55 -0.59 1.01 -1.26 -4.93 121.20 117.76 3hwe s ILE 8 Ca 0.09 0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.78 3hwe s ILE 8 Cb -0.09 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 3hwe s ILE 8 CO 0.01 0.01 1.24 -2.84 0.00 0.00 0.00 174.94 173.36 3hwe s PRO 9 N 1.58 3.17 0.32 2.79 0.02 -1.26 -4.87 135.00 136.76 3hwe s PRO 9 Ca 0.74 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 3hwe s PRO 9 Cb -0.46 -2.12 -0.10 0.00 0.02 0.00 0.00 34.50 31.84 3hwe s PRO 9 CO 0.32 -1.07 1.31 0.00 -0.33 0.00 0.00 177.00 177.23 3hwe s ALA 10 N -1.49 3.50 0.67 -1.55 0.00 -1.26 -4.95 121.76 116.68 3hwe s ALA 10 Ca 0.73 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.83 3hwe s ALA 10 Cb -0.33 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.32 3hwe s ALA 10 CO 0.38 -0.62 1.04 -1.25 0.00 0.00 0.00 175.76 175.31 3hwe s PRO 11 N -1.63 2.90 0.50 0.00 0.04 -1.26 -5.01 135.00 130.54 3hwe s PRO 11 Ca 0.50 0.35 -0.23 0.00 0.04 0.00 0.00 61.00 61.66 3hwe s PRO 11 Cb -0.39 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.00 3hwe s PRO 11 CO 0.51 -0.93 1.30 -1.25 0.04 0.00 0.00 177.00 176.67 3hwe s PRO 12 N -5.26 3.41 0.58 0.56 0.04 -1.26 -4.89 135.00 128.18 3hwe s PRO 12 Ca 0.57 2.11 0.38 0.00 0.04 0.00 0.00 61.00 64.09 3hwe s PRO 12 Cb -0.11 -2.36 1.83 0.00 0.04 0.00 0.00 34.50 33.90 3hwe s PRO 12 CO 0.50 -0.93 2.13 -0.07 0.04 0.00 0.00 177.00 178.67 3hwe h LEU 13 N 1.77 0.00 -1.73 -3.56 4.07 -1.95 -1.14 115.31 112.77 3hwe h LEU 13 Ca -0.50 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.42 3hwe h LEU 13 Cb 1.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 3hwe h LEU 13 CO 0.59 0.00 -0.17 0.77 -1.08 0.00 0.00 178.44 178.54 3hwe h SER 14 N 0.00 0.00 1.28 -0.43 4.64 -2.02 -2.54 113.55 114.48 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 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3hwe h SER 14 CO 0.00 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 3hwe n LYS 15 N -3.95 0.23 -3.53 4.77 5.02 -0.43 -4.67 118.16 115.60 3hwe n LYS 15 Ca -0.02 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 3hwe n LYS 15 Cb 0.26 -1.79 -0.10 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.13 4.77 1.01 -0.18 1.01 -0.96 -5.02 120.40 117.90 3hwe s VAL 16 Ca 0.10 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 3hwe s VAL 16 Cb 0.12 -3.76 0.20 0.00 0.00 0.00 0.00 36.38 32.94 3hwe s VAL 16 CO 0.55 -0.38 1.08 -2.84 0.00 0.00 0.00 175.10 173.51 3hwe s PRO 17 N 1.57 0.32 -0.05 2.72 0.02 -1.26 -4.97 135.00 133.34 3hwe s PRO 17 Ca 0.03 0.62 0.04 0.00 0.02 0.00 0.00 61.00 61.71 3hwe s PRO 17 Cb -0.21 -1.72 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 3hwe s PRO 17 CO 0.06 -2.83 -0.17 -1.17 -0.33 0.00 0.00 177.00 172.56 3hwe s LEU 18 N -6.56 1.90 0.02 -5.54 2.96 -1.26 -4.26 118.68 105.94 3hwe s LEU 18 Ca 0.66 -0.37 -0.32 0.00 -0.22 0.00 0.00 54.13 53.88 3hwe s LEU 18 Cb -0.20 -1.00 -0.11 0.00 0.50 0.00 0.00 46.19 45.39 3hwe s LEU 18 CO 0.59 0.14 1.90 1.67 -1.32 0.00 0.00 176.35 179.32 3hwe n GLN 19 N 3.25 2.58 -2.03 1.98 -0.06 -0.56 -4.93 117.38 117.61 3hwe n GLN 19 Ca -0.19 0.95 -0.41 0.00 -2.00 0.00 0.00 57.00 55.35 3hwe n GLN 19 Cb 0.53 -2.84 -0.02 0.00 -4.06 0.00 0.00 30.24 23.85 3hwe n GLN 19 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 3hwe s GLN 20 N 3.79 4.29 -1.08 3.69 -0.21 -1.26 -3.96 119.66 124.91 3hwe s GLN 20 Ca 0.88 2.30 -0.14 0.00 0.02 0.00 0.00 55.36 58.42 3hwe s GLN 20 Cb -0.55 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 30.37 3hwe s GLN 20 CO 0.44 -0.32 0.83 -1.71 -2.12 0.00 0.00 175.29 172.41 3hwe n ASN 21 N 1.28 -5.92 -4.74 5.90 5.15 -1.26 -4.88 115.26 110.79 3hwe n ASN 21 Ca 0.02 -0.86 -0.41 0.00 -0.60 0.00 0.00 54.58 52.73 3hwe n ASN 21 Cb 0.41 -4.06 -0.03 0.00 -0.53 0.00 0.00 39.78 35.56 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 -3.40 3.37 -0.30 1.20 2.19 -1.25 -5.02 117.98 114.76 3hwe s PHE 22 Ca 0.44 1.37 -0.05 0.00 0.33 0.00 0.00 56.93 59.01 3hwe s PHE 22 Cb -0.12 -3.49 0.02 0.00 -1.31 0.00 0.00 43.02 38.13 3hwe s PHE 22 CO 0.82 -1.41 0.06 -0.65 1.83 0.00 0.00 175.22 175.87 3hwe s GLN 23 N -0.30 2.86 0.09 10.12 -1.52 -1.26 -4.86 119.66 124.79 3hwe s GLN 23 Ca 0.54 -1.00 -0.16 0.00 -1.95 0.00 0.00 55.36 52.78 3hwe s GLN 23 Cb -0.34 -3.32 -0.10 0.00 -0.22 0.00 0.00 33.01 29.03 3hwe s GLN 23 CO 0.38 -0.52 1.40 0.38 -0.25 0.00 0.00 175.29 176.68 3hwe h ASP 24 N 8.18 0.67 0.41 5.90 2.03 -1.98 -2.79 116.42 128.83 3hwe h ASP 24 Ca -0.28 -0.48 -0.01 0.00 -0.73 0.00 0.00 57.03 55.52 3hwe h ASP 24 Cb 1.11 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 39.41 3hwe h ASP 24 CO 0.59 1.02 -0.07 -0.55 -1.03 0.00 0.00 179.24 179.20 3hwe h ASN 25 N 0.34 0.00 0.65 4.15 -1.07 -1.97 -2.09 115.58 115.59 3hwe h ASN 25 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.36 3hwe h ASN 25 Cb 0.83 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.08 3hwe h ASN 25 CO 0.07 0.07 -1.39 0.00 0.07 0.00 0.00 177.43 176.25 3hwe n GLN 26 N -3.42 0.63 0.06 4.14 6.02 -1.23 -3.99 117.38 119.59 3hwe n GLN 26 Ca -0.02 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.16 3hwe n GLN 26 Cb 0.21 -1.73 0.41 0.00 1.02 0.00 0.00 30.24 30.15 3hwe n GLN 26 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hwe n PHE 27 N -2.61 0.52 -1.98 1.08 -0.00 -0.87 -4.81 117.46 108.79 3hwe n PHE 27 Ca -0.04 0.15 -0.36 0.00 -0.00 0.00 0.00 57.45 57.20 3hwe n PHE 27 Cb 0.63 -0.70 0.04 0.00 -0.00 0.00 0.00 39.48 39.45 3hwe n PHE 27 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3hwe s GLN 28 N -3.07 2.92 0.00 -4.13 -2.07 -0.84 -4.84 119.66 107.63 3hwe s GLN 28 Ca 0.11 1.83 0.00 0.00 -1.82 0.00 0.00 55.36 55.48 3hwe s GLN 28 Cb 0.15 -1.92 0.00 0.00 -1.09 0.00 0.00 33.01 30.15 3hwe s GLN 28 CO 0.61 -1.25 0.00 0.41 -1.32 0.00 0.00 175.29 173.74 3hwe n GLY 29 N 0.51 0.42 3.84 2.60 0.00 -0.20 -4.95 105.19 107.41 3hwe n GLY 29 Ca 0.14 -2.28 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.09 3.75 0.01 1.61 2.20 -1.26 0.34 119.74 126.31 3hwe s LYS 30 Ca 0.00 0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.78 3hwe s LYS 30 Cb 0.00 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 3hwe s LYS 30 CO 0.00 0.67 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.92 3hwe s TRP 31 N -0.84 1.42 -0.12 4.03 0.52 0.10 -4.79 118.94 119.25 3hwe s TRP 31 Ca 0.19 -0.31 -0.13 0.00 0.02 0.00 0.00 56.10 55.86 3hwe s TRP 31 Cb -0.14 -0.88 -0.05 0.00 -1.15 0.00 0.00 33.47 31.26 3hwe s TRP 31 CO 0.08 0.02 0.30 0.71 0.02 0.00 0.00 176.95 178.08 3hwe s TYR 32 N -0.60 3.53 -1.03 -1.98 2.02 0.11 -1.15 117.35 118.26 3hwe s TYR 32 Ca 0.05 0.67 -0.23 0.00 -0.37 0.00 0.00 57.07 57.19 3hwe s TYR 32 Cb -0.07 -2.28 0.05 0.00 -0.40 0.00 0.00 41.96 39.25 3hwe s TYR 32 CO 0.00 0.38 1.49 0.08 -1.57 0.00 0.00 175.55 175.93 3hwe s VAL 33 N -0.03 3.90 -0.54 0.71 1.01 -0.96 -0.11 120.40 124.38 3hwe s VAL 33 Ca 0.18 -0.78 0.24 0.00 0.00 0.00 0.00 61.98 61.62 3hwe s VAL 33 Cb -0.14 -5.01 0.17 0.00 0.00 0.00 0.00 36.38 31.41 3hwe s VAL 33 CO 0.06 -1.89 1.46 -0.37 0.00 0.00 0.00 175.10 174.36 3hwe h VAL 34 N 6.78 0.00 -3.72 2.92 -1.51 -1.63 -3.40 116.25 115.68 3hwe h VAL 34 Ca 0.20 -0.70 -0.16 0.00 -1.23 0.00 0.00 66.70 64.82 3hwe h VAL 34 Cb 1.00 1.48 -0.21 0.00 -2.13 0.00 0.00 31.29 31.44 3hwe h VAL 34 CO 1.42 0.00 -0.59 -0.83 -1.23 0.00 0.00 177.57 176.34 3hwe s GLY 35 N -3.90 0.13 -0.12 5.19 0.00 -1.05 -3.82 107.32 103.75 3hwe s GLY 35 Ca 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 44.72 44.39 3hwe s GLY 35 CO 0.69 -0.44 0.27 -2.27 0.00 0.00 0.00 173.10 171.34 3hwe s LEU 36 N -1.40 0.18 -0.07 0.66 0.20 0.89 -1.25 118.68 117.89 3hwe s LEU 36 Ca -0.15 0.58 -0.06 0.00 0.69 0.00 0.00 54.13 55.19 3hwe s LEU 36 Cb -0.09 0.79 0.02 0.00 -0.43 0.00 0.00 46.19 46.48 3hwe s LEU 36 CO 0.00 -0.19 0.18 0.00 -0.29 0.00 0.00 176.35 176.05 3hwe s ALA 37 N 1.58 -0.43 0.00 5.97 0.00 0.03 0.87 121.76 129.77 3hwe s ALA 37 Ca -0.07 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.42 3hwe s ALA 37 Cb -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hwe s ALA 37 CO -0.09 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3hwe n GLY 38 N 3.09 1.30 0.30 0.00 0.00 -1.18 0.86 105.19 109.58 3hwe n GLY 38 Ca -0.14 -0.67 0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 7.08 -1.87 -0.18 115.58 122.20 3hwe h ASN 39 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3hwe h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 3hwe h ASN 39 CO 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 177.43 175.33 3hwe n ALA 40 N -2.04 2.51 -2.63 4.14 0.00 -1.26 -4.71 120.51 116.53 3hwe n ALA 40 Ca -0.02 -0.64 -0.38 0.00 0.00 0.00 0.00 53.44 52.40 3hwe n ALA 40 Cb 0.11 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.58 5.13 -0.02 0.00 -1.09 -0.08 -5.08 121.20 118.47 3hwe s ILE 41 Ca 0.21 0.87 0.02 0.00 -2.23 0.00 0.00 60.65 59.52 3hwe s ILE 41 Cb 0.15 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 3hwe s ILE 41 CO 0.24 0.43 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.54 3hwe s LEU 42 N -0.07 1.80 -0.03 2.97 1.02 -1.26 -4.30 118.68 118.80 3hwe s LEU 42 Ca 0.24 -0.18 -0.30 0.00 0.02 0.00 0.00 54.13 53.91 3hwe s LEU 42 Cb -0.16 -0.52 -0.05 0.00 0.02 0.00 0.00 46.19 45.49 3hwe s LEU 42 CO 0.11 0.06 1.36 0.00 0.02 0.00 0.00 176.35 177.90 3hwe s ARG 43 N 0.17 4.29 -0.40 1.70 3.03 -0.56 -4.99 118.95 122.19 3hwe s ARG 43 Ca -0.03 1.88 0.01 0.00 2.03 0.00 0.00 55.73 59.63 3hwe s ARG 43 Cb -0.08 -3.61 0.13 0.00 -1.03 0.00 0.00 34.95 30.36 3hwe s ARG 43 CO 0.00 -0.57 0.20 -1.21 -1.13 0.00 0.00 175.30 172.59 3hwe s GLU 44 N 2.53 1.11 0.54 3.89 8.01 -1.26 -4.99 118.70 128.54 3hwe s GLU 44 Ca 0.62 -1.74 0.23 0.00 0.01 0.00 0.00 54.97 54.09 3hwe s GLU 44 Cb -0.29 -2.22 1.51 0.00 -4.31 0.00 0.00 34.13 28.82 3hwe s GLU 44 CO 0.25 -1.12 2.17 -0.44 0.01 0.00 0.00 175.26 176.13 3hwe h ASP 45 N 7.10 0.00 0.10 -0.19 3.32 -1.99 -2.68 116.42 122.08 3hwe h ASP 45 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hwe h ASP 45 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3hwe h ASP 45 CO 0.47 0.03 -0.05 0.07 -1.72 0.00 0.00 179.24 178.04 3hwe h LYS 46 N 0.00 -0.13 -2.76 3.56 -0.00 -2.03 -3.37 116.57 111.84 3hwe h LYS 46 Ca -0.00 0.01 -0.61 0.00 -0.00 0.00 0.00 60.65 60.05 3hwe h LYS 46 Cb 0.07 0.03 -0.40 0.00 -0.00 0.00 0.00 32.23 31.93 3hwe h LYS 46 CO 0.00 -0.06 -0.75 -3.47 -0.00 0.00 0.00 179.45 175.17 3hwe n ASP 47 N -5.14 1.50 -4.76 7.07 2.03 -1.03 -5.12 116.55 111.10 3hwe n ASP 47 Ca -0.08 -2.85 -0.38 0.00 0.52 0.00 0.00 54.79 52.00 3hwe n ASP 47 Cb 0.09 -0.67 0.03 0.00 -0.72 0.00 0.00 41.12 39.85 3hwe n ASP 47 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3hwe s PRO 48 N -0.82 3.38 0.07 -0.67 0.02 -1.06 -4.80 135.00 131.12 3hwe s PRO 48 Ca 0.29 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 63.16 3hwe s PRO 48 Cb -0.00 -2.36 -0.09 0.00 0.02 0.00 0.00 34.50 32.06 3hwe s PRO 48 CO -0.18 -0.98 1.83 1.14 -0.33 0.00 0.00 177.00 178.48 3hwe s GLN 49 N -2.77 4.15 0.37 5.54 0.00 -1.26 -4.93 119.66 120.76 3hwe s GLN 49 Ca 0.68 2.52 -0.19 0.00 -0.00 0.00 0.00 55.36 58.37 3hwe s GLN 49 Cb -0.38 -3.80 -0.10 0.00 0.00 0.00 0.00 33.01 28.72 3hwe s GLN 49 CO 0.46 -0.86 0.86 0.15 0.00 0.00 0.00 175.29 175.90 3hwe s LYS 50 N 3.36 4.17 0.24 9.60 1.02 -1.26 -1.20 119.74 135.67 3hwe s LYS 50 Ca 0.81 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 57.46 3hwe s LYS 50 Cb -0.43 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 3hwe s LYS 50 CO 0.37 0.08 1.22 1.41 -0.92 0.00 0.00 175.35 177.50 3hwe s MET 51 N -2.99 4.48 0.14 1.68 -2.45 0.07 -4.62 119.30 115.61 3hwe s MET 51 Ca 0.58 1.97 0.05 0.00 -1.25 0.00 0.00 55.69 57.03 3hwe s MET 51 Cb -0.10 -3.18 -0.04 0.00 1.25 0.00 0.00 34.83 32.75 3hwe s MET 51 CO 0.16 -0.07 -0.11 1.52 1.05 0.00 0.00 175.02 177.57 3hwe s TYR 52 N -0.54 1.27 0.26 4.11 1.13 -1.26 -4.73 117.35 117.58 3hwe s TYR 52 Ca 0.51 -0.73 0.09 0.00 -1.41 0.00 0.00 57.07 55.53 3hwe s TYR 52 Cb -0.35 -0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 39.82 3hwe s TYR 52 CO 0.42 0.09 0.05 0.00 -2.51 0.00 0.00 175.55 173.59 3hwe s ALA 53 N -3.13 3.27 -0.04 9.51 0.00 -0.63 -2.26 121.76 128.48 3hwe s ALA 53 Ca 0.15 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3hwe s ALA 53 Cb 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3hwe s ALA 53 CO 0.01 0.27 -0.01 0.99 0.00 0.00 0.00 175.76 177.01 3hwe s THR 54 N -2.27 0.30 -0.25 0.00 2.01 -0.30 -0.92 115.64 114.21 3hwe s THR 54 Ca 0.32 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 3hwe s THR 54 Cb -0.07 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3hwe s THR 54 CO 0.21 0.19 0.04 -0.63 -0.69 0.00 0.00 174.62 173.74 3hwe s ILE 55 N 1.15 3.93 -0.79 1.82 1.09 0.29 -0.73 121.20 127.96 3hwe s ILE 55 Ca -0.08 -0.43 -0.16 0.00 -1.10 0.00 0.00 60.65 58.88 3hwe s ILE 55 Cb -0.14 -2.88 0.17 0.00 -1.06 0.00 0.00 42.46 38.55 3hwe s ILE 55 CO -0.02 0.28 0.84 -0.31 -0.10 0.00 0.00 174.94 175.63 3hwe s TYR 56 N 1.54 3.40 -0.49 3.97 2.02 0.15 -2.00 117.35 125.95 3hwe s TYR 56 Ca 0.05 -1.58 -0.26 0.00 -0.37 0.00 0.00 57.07 54.91 3hwe s TYR 56 Cb -0.15 -3.98 0.03 0.00 -0.40 0.00 0.00 41.96 37.45 3hwe s TYR 56 CO 0.01 -1.19 0.97 -1.83 -1.57 0.00 0.00 175.55 171.94 3hwe s GLU 57 N 1.44 3.52 -0.38 -0.62 4.04 -1.08 -1.03 118.70 124.59 3hwe s GLU 57 Ca 0.20 0.15 -0.29 0.00 0.04 0.00 0.00 54.97 55.07 3hwe s GLU 57 Cb -0.13 -3.95 -0.00 0.00 0.02 0.00 0.00 34.13 30.07 3hwe s GLU 57 CO -0.05 -1.31 1.57 -1.17 -1.84 0.00 0.00 175.26 172.45 3hwe s LEU 58 N 3.95 3.55 0.76 1.83 0.20 -1.26 -0.21 118.68 127.49 3hwe s LEU 58 Ca 0.38 1.00 -0.11 0.00 0.69 0.00 0.00 54.13 56.09 3hwe s LEU 58 Cb -0.10 -3.51 0.05 0.00 -0.43 0.00 0.00 46.19 42.20 3hwe s LEU 58 CO 0.26 -1.56 1.08 -0.54 -0.29 0.00 0.00 176.35 175.30 3hwe s LYS 59 N 5.26 2.39 0.27 1.98 1.02 0.51 -4.97 119.74 126.20 3hwe s LYS 59 Ca 0.69 0.74 -0.04 0.00 0.02 0.00 0.00 55.97 57.37 3hwe s LYS 59 Cb -0.17 -1.94 0.34 0.00 -0.52 0.00 0.00 37.83 35.53 3hwe s LYS 59 CO 0.33 -1.43 1.94 0.93 -0.92 0.00 0.00 175.35 176.19 3hwe h GLU 60 N -0.96 1.21 0.00 1.68 5.08 -1.94 -2.36 114.58 117.29 3hwe h GLU 60 Ca -0.46 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3hwe h GLU 60 Cb 1.25 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3hwe h GLU 60 CO 0.59 0.81 0.00 -0.40 -1.00 0.00 0.00 179.01 179.01 3hwe n ASP 61 N -4.39 0.00 0.00 1.42 5.75 -1.26 -4.84 116.55 113.23 3hwe n ASP 61 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 3hwe n ASP 61 Cb 0.03 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3hwe n ASP 61 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3hwe n LYS 62 N -1.26 0.00 -2.23 0.11 -0.00 -0.89 -5.07 118.16 108.82 3hwe n LYS 62 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.10 3hwe n LYS 62 Cb 0.12 -0.56 0.02 0.00 -0.00 0.00 0.00 35.03 34.61 3hwe n LYS 62 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3hwe s SER 63 N -2.94 5.88 -0.17 -5.58 0.01 -1.26 -4.66 113.70 104.99 3hwe s SER 63 Ca 0.00 1.02 -0.07 0.00 1.31 0.00 0.00 55.95 58.20 3hwe s SER 63 Cb 0.00 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 3hwe s SER 63 CO 0.00 -0.95 0.07 -0.31 0.41 0.00 0.00 173.24 172.46 3hwe s TYR 64 N -3.04 3.30 -0.78 2.43 1.51 -0.42 -0.36 117.35 119.98 3hwe s TYR 64 Ca 0.53 0.17 -0.16 0.00 -1.01 0.00 0.00 57.07 56.60 3hwe s TYR 64 Cb -0.11 -2.04 0.17 0.00 -0.11 0.00 0.00 41.96 39.88 3hwe s TYR 64 CO 0.48 0.27 0.80 1.21 -1.11 0.00 0.00 175.55 177.21 3hwe s ASN 65 N 0.06 6.58 -0.15 2.29 3.04 0.71 -1.49 114.94 125.99 3hwe s ASN 65 Ca 0.06 -2.26 -0.21 0.00 0.04 0.00 0.00 52.86 50.49 3hwe s ASN 65 Cb -0.12 -2.26 -0.03 0.00 -1.54 0.00 0.00 41.25 37.29 3hwe s ASN 65 CO 0.01 -0.79 0.60 -0.69 -3.04 0.00 0.00 177.10 173.18 3hwe s VAL 66 N 1.25 5.07 -0.04 -5.21 1.01 -0.13 -2.64 120.40 119.72 3hwe s VAL 66 Ca 0.18 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 3hwe s VAL 66 Cb -0.13 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.35 3hwe s VAL 66 CO -0.05 0.20 0.03 0.28 0.00 0.00 0.00 175.10 175.56 3hwe s THR 67 N 1.32 0.08 -0.14 3.92 -1.32 -0.85 -0.82 115.64 117.83 3hwe s THR 67 Ca 0.30 0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 60.98 3hwe s THR 67 Cb -0.16 -0.27 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 3hwe s THR 67 CO 0.12 0.19 0.07 -0.44 -2.21 0.00 0.00 174.62 172.34 3hwe s SER 68 N 1.78 5.72 -0.34 8.08 0.01 -0.92 -0.55 113.70 127.49 3hwe s SER 68 Ca 0.01 0.19 -0.09 0.00 1.31 0.00 0.00 55.95 57.37 3hwe s SER 68 Cb -0.12 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.26 3hwe s SER 68 CO -0.03 0.28 0.15 0.54 0.41 0.00 0.00 173.24 174.59 3hwe s VAL 69 N -0.29 4.33 0.21 3.43 0.11 -0.10 -2.21 120.40 125.88 3hwe s VAL 69 Ca 0.09 -0.78 0.10 0.00 -2.93 0.00 0.00 61.98 58.46 3hwe s VAL 69 Cb -0.12 -3.34 -0.05 0.00 -1.53 0.00 0.00 36.38 31.35 3hwe s VAL 69 CO 0.02 -0.10 -0.20 -1.48 -3.33 0.00 0.00 175.10 170.01 3hwe s LEU 70 N 1.53 2.50 -0.44 2.54 2.34 -0.88 -1.61 118.68 124.66 3hwe s LEU 70 Ca 0.02 -0.93 -0.06 0.00 0.06 0.00 0.00 54.13 53.21 3hwe s LEU 70 Cb -0.18 -0.99 0.11 0.00 -0.56 0.00 0.00 46.19 44.57 3hwe s LEU 70 CO 0.05 0.01 0.28 0.12 -1.06 0.00 0.00 176.35 175.75 3hwe s PHE 71 N -2.20 3.49 -0.02 3.48 5.99 -1.26 -0.00 117.98 127.46 3hwe s PHE 71 Ca 0.22 -2.07 0.03 0.00 0.00 0.00 0.00 56.93 55.11 3hwe s PHE 71 Cb -0.05 -3.33 -0.00 0.00 0.00 0.00 0.00 43.02 39.63 3hwe s PHE 71 CO 0.10 -0.97 -0.10 1.03 -0.00 0.00 0.00 175.22 175.28 3hwe s ARG 72 N 1.27 0.91 -1.34 10.12 1.81 0.01 -4.82 118.95 126.91 3hwe s ARG 72 Ca 0.06 -0.35 -0.06 0.00 -1.72 0.00 0.00 55.73 53.67 3hwe s ARG 72 Cb -0.25 -0.86 0.02 0.00 -0.45 0.00 0.00 34.95 33.42 3hwe s ARG 72 CO -0.02 0.18 1.02 0.36 -0.68 0.00 0.00 175.30 176.15 3hwe n LYS 73 N 3.03 -6.62 -1.80 3.54 0.00 -1.26 -2.09 118.16 112.95 3hwe n LYS 73 Ca -0.16 0.75 -0.19 0.00 -0.00 0.00 0.00 58.31 58.71 3hwe n LYS 73 Cb 0.55 -5.68 -0.06 0.00 -0.00 0.00 0.00 35.03 29.84 3hwe n LYS 73 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3hwe n LYS 74 N -4.59 -1.41 -3.85 -1.58 4.81 -1.26 -4.97 118.16 105.31 3hwe n LYS 74 Ca -0.11 1.11 -0.09 0.00 -0.87 0.00 0.00 58.31 58.35 3hwe n LYS 74 Cb 0.60 -5.52 -0.07 0.00 0.02 0.00 0.00 35.03 30.06 3hwe n LYS 74 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3hwe s LYS 75 N -4.04 0.81 0.03 1.64 1.02 -0.89 -5.15 119.74 113.16 3hwe s LYS 75 Ca 0.00 -0.85 -0.28 0.00 0.02 0.00 0.00 55.97 54.86 3hwe s LYS 75 Cb 0.00 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.60 3hwe s LYS 75 CO 0.00 -0.25 0.88 0.00 -0.92 0.00 0.00 175.35 175.06 3hwe s ASP 77 N 0.47 3.51 -0.17 0.00 1.01 1.00 -4.94 116.67 117.55 3hwe s ASP 77 Ca 0.45 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.22 3hwe s ASP 77 Cb -0.21 -0.47 0.04 0.00 1.01 0.00 0.00 42.92 43.29 3hwe s ASP 77 CO 0.26 0.26 -0.10 -0.31 0.21 0.00 0.00 175.17 175.49 3hwe s TYR 78 N -0.86 2.13 -0.36 4.23 2.02 -1.26 -2.07 117.35 121.18 3hwe s TYR 78 Ca 0.13 -1.32 -0.03 0.00 -0.37 0.00 0.00 57.07 55.48 3hwe s TYR 78 Cb -0.10 -1.53 0.08 0.00 -0.40 0.00 0.00 41.96 40.01 3hwe s TYR 78 CO 0.04 -0.68 0.11 -0.46 -1.57 0.00 0.00 175.55 172.99 3hwe s TRP 79 N 1.49 3.42 -0.20 2.71 -0.11 -0.94 -4.97 118.94 120.35 3hwe s TRP 79 Ca 0.01 -2.08 -0.08 0.00 1.22 0.00 0.00 56.10 55.18 3hwe s TRP 79 Cb -0.15 -2.67 -0.04 0.00 -1.50 0.00 0.00 33.47 29.11 3hwe s TRP 79 CO -0.09 -0.88 0.08 0.96 -4.62 0.00 0.00 176.95 172.41 3hwe s ILE 80 N 1.22 4.85 0.29 5.86 -0.00 -1.26 -2.16 121.20 130.00 3hwe s ILE 80 Ca 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.65 3hwe s ILE 80 Cb -0.21 -3.21 -0.02 0.00 -0.00 0.00 0.00 42.46 39.03 3hwe s ILE 80 CO -0.02 0.43 0.34 0.00 -0.00 0.00 0.00 174.94 175.69 3hwe s ARG 81 N 0.59 1.64 -0.05 0.37 1.04 0.00 -5.02 118.95 117.52 3hwe s ARG 81 Ca 0.04 -1.72 0.02 0.00 -1.04 0.00 0.00 55.73 53.03 3hwe s ARG 81 Cb -0.13 0.37 0.02 0.00 -2.04 0.00 0.00 34.95 33.17 3hwe s ARG 81 CO 0.01 -0.64 -0.09 0.99 -0.04 0.00 0.00 175.30 175.54 3hwe s THR 82 N -3.57 0.85 -0.24 4.99 2.01 -1.26 -0.95 115.64 117.47 3hwe s THR 82 Ca 0.34 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 3hwe s THR 82 Cb 0.02 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3hwe s THR 82 CO 0.18 0.29 0.10 -0.36 -0.69 0.00 0.00 174.62 174.15 3hwe s PHE 83 N 0.76 3.16 -0.19 4.92 2.99 -0.55 0.11 117.98 129.19 3hwe s PHE 83 Ca -0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 56.93 56.55 3hwe s PHE 83 Cb -0.15 -2.24 -0.05 0.00 0.00 0.00 0.00 43.02 40.58 3hwe s PHE 83 CO 0.02 -0.18 0.13 0.08 -0.00 0.00 0.00 175.22 175.26 3hwe s VAL 84 N 1.37 5.39 0.46 -0.44 1.01 0.10 -1.30 120.40 126.98 3hwe s VAL 84 Ca 0.06 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 3hwe s VAL 84 Cb -0.15 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 3hwe s VAL 84 CO 0.05 0.46 1.44 -0.81 0.00 0.00 0.00 175.10 176.24 3hwe n PRO 85 N 3.33 2.26 0.00 2.72 -0.04 -1.26 -0.10 135.00 141.91 3hwe n PRO 85 Ca -0.17 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 3hwe n PRO 85 Cb 0.52 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3hwe n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hwe n GLY 86 N 0.57 1.71 0.13 0.55 0.00 0.28 -4.74 105.19 103.69 3hwe n GLY 86 Ca 0.05 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.07 -3.57 1.61 0.02 -1.95 -3.42 113.55 106.17 3hwe h SER 87 Ca 0.00 0.06 -0.67 0.00 -0.84 0.00 0.00 61.79 60.34 3hwe h SER 87 Cb 0.00 0.10 -0.16 0.00 0.14 0.00 0.00 62.40 62.48 3hwe h SER 87 CO 0.00 -0.00 -0.71 -1.10 -1.14 0.00 0.00 176.83 173.87 3hwe s GLN 88 N -6.18 2.39 0.24 3.45 -0.21 -1.26 -5.08 119.66 113.01 3hwe s GLN 88 Ca -0.13 -0.85 -0.31 0.00 0.02 0.00 0.00 55.36 54.08 3hwe s GLN 88 Cb 0.12 -2.43 -0.13 0.00 1.00 0.00 0.00 33.01 31.57 3hwe s GLN 88 CO 0.70 0.56 1.50 -2.30 -2.12 0.00 0.00 175.29 173.63 3hwe n PRO 89 N 1.11 2.28 0.00 2.91 -0.02 -1.26 -1.82 135.00 138.19 3hwe n PRO 89 Ca -0.14 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3hwe n PRO 89 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 2.46 3.16 3.84 -1.23 0.00 -1.26 -4.62 105.19 107.54 3hwe n GLY 90 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.70 3.97 -0.03 1.61 2.02 -0.76 -2.02 118.70 122.79 3hwe s GLU 91 Ca 0.00 0.48 -0.06 0.00 0.02 0.00 0.00 54.97 55.42 3hwe s GLU 91 Cb 0.00 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.29 3hwe s GLU 91 CO 0.00 0.49 0.13 -0.06 0.02 0.00 0.00 175.26 175.84 3hwe s PHE 92 N -1.45 -0.08 0.25 1.61 0.40 0.21 -0.56 117.98 118.36 3hwe s PHE 92 Ca 0.37 0.18 0.09 0.00 -0.60 0.00 0.00 56.93 56.97 3hwe s PHE 92 Cb -0.15 0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.35 3hwe s PHE 92 CO 0.19 -0.15 0.01 0.95 0.70 0.00 0.00 175.22 176.92 3hwe s THR 93 N -0.46 3.57 0.01 0.64 -4.23 0.86 -0.66 115.64 115.37 3hwe s THR 93 Ca -0.05 -1.79 -0.30 0.00 -1.18 0.00 0.00 61.69 58.37 3hwe s THR 93 Cb -0.04 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 3hwe s THR 93 CO 0.01 -0.32 1.00 -0.22 -0.54 0.00 0.00 174.62 174.54 3hwe s LEU 94 N -3.55 4.38 0.17 4.79 2.96 -1.26 0.01 118.68 126.17 3hwe s LEU 94 Ca 0.31 1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 55.61 3hwe s LEU 94 Cb -0.07 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 3hwe s LEU 94 CO 0.20 -0.27 1.15 -0.83 -1.32 0.00 0.00 176.35 175.28 3hwe s GLY 95 N 0.97 2.73 -1.28 7.98 0.00 0.31 -3.35 107.32 114.68 3hwe s GLY 95 Ca 0.52 0.88 -0.17 0.00 0.00 0.00 0.00 44.72 45.95 3hwe s GLY 95 CO 0.28 1.78 0.56 0.70 0.00 0.00 0.00 173.10 176.42 3hwe n ASN 96 N 2.57 -2.87 0.13 1.64 4.13 -1.26 -4.56 115.26 115.03 3hwe n ASN 96 Ca 0.04 -1.14 0.17 0.00 1.68 0.00 0.00 54.58 55.33 3hwe n ASN 96 Cb 0.46 -2.54 0.74 0.00 -1.54 0.00 0.00 39.78 36.90 3hwe n ASN 96 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3hwe h ILE 97 N -2.10 0.63 0.00 2.41 2.10 -1.95 -2.23 117.51 116.37 3hwe h ILE 97 Ca -0.67 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.21 3hwe h ILE 97 Cb 1.38 0.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.91 3hwe h ILE 97 CO 0.56 0.00 -0.27 0.11 -1.08 0.00 0.00 178.15 177.47 3hwe h LYS 98 N 0.00 0.00 0.00 2.19 1.79 -1.89 -3.13 116.57 115.54 3hwe h LYS 98 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3hwe h LYS 98 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 3hwe h LYS 98 CO -0.00 0.27 0.00 -1.13 -1.08 0.00 0.00 179.45 177.51 3hwe n SER 99 N -3.56 0.00 -4.34 0.86 3.41 -0.84 -4.58 113.62 104.57 3hwe n SER 99 Ca -0.01 -0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.11 3hwe n SER 99 Cb 0.41 -0.27 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.54 3.27 -0.07 7.33 1.51 -1.18 -5.06 117.35 120.61 3hwe s TYR 100 Ca 0.23 -1.16 -0.36 0.00 -1.01 0.00 0.00 57.07 54.77 3hwe s TYR 100 Cb 0.16 -2.60 -0.13 0.00 -0.11 0.00 0.00 41.96 39.27 3hwe s TYR 100 CO 0.35 -0.72 1.75 -2.30 -1.11 0.00 0.00 175.55 173.52 3hwe n PRO 101 N 4.97 1.88 0.00 -1.71 -0.02 -1.26 -1.78 135.00 137.08 3hwe n PRO 101 Ca -0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3hwe n PRO 101 Cb 0.45 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 4.03 2.67 3.59 -1.23 0.00 -1.26 -4.97 105.19 108.01 3hwe n GLY 102 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 3.63 -0.15 0.99 2.96 -0.74 -2.14 118.68 123.24 3hwe s LEU 103 Ca 0.00 0.28 0.10 0.00 -0.22 0.00 0.00 54.13 54.29 3hwe s LEU 103 Cb 0.00 -3.36 -0.17 0.00 0.50 0.00 0.00 46.19 43.16 3hwe s LEU 103 CO 0.00 -1.31 0.01 0.35 -1.32 0.00 0.00 176.35 174.08 3hwe n THR 104 N 6.73 1.01 -4.14 3.68 -2.24 -0.78 -4.73 114.28 113.81 3hwe n THR 104 Ca 0.10 -0.57 -0.16 0.00 -2.27 0.00 0.00 64.05 61.15 3hwe n THR 104 Cb 0.49 -0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 3hwe n THR 104 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hwe s SER 105 N -4.99 1.35 -0.27 3.42 0.01 -0.95 -4.97 113.70 107.30 3hwe s SER 105 Ca -0.11 -0.64 -0.19 0.00 1.31 0.00 0.00 55.95 56.32 3hwe s SER 105 Cb 0.05 -0.01 0.08 0.00 0.21 0.00 0.00 66.02 66.35 3hwe s SER 105 CO 0.56 -0.16 0.70 -0.47 0.41 0.00 0.00 173.24 174.27 3hwe s TYR 106 N -1.58 -0.96 -0.03 2.43 6.14 -1.26 -1.63 117.35 120.46 3hwe s TYR 106 Ca -0.03 2.05 -0.04 0.00 0.64 0.00 0.00 57.07 59.69 3hwe s TYR 106 Cb -0.08 0.51 0.01 0.00 0.42 0.00 0.00 41.96 42.81 3hwe s TYR 106 CO 0.01 -0.47 0.10 -1.17 0.64 0.00 0.00 175.55 174.66 3hwe s LEU 107 N 1.19 1.65 -0.02 6.97 2.96 0.12 -4.36 118.68 127.21 3hwe s LEU 107 Ca -0.06 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3hwe s LEU 107 Cb -0.05 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.04 3hwe s LEU 107 CO -0.13 -0.13 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.97 3hwe s VAL 108 N -0.39 0.94 -0.23 1.68 1.01 0.16 -1.30 120.40 122.27 3hwe s VAL 108 Ca -0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3hwe s VAL 108 Cb -0.03 -0.79 0.12 0.00 0.00 0.00 0.00 36.38 35.67 3hwe s VAL 108 CO 0.00 0.27 0.34 -0.60 0.00 0.00 0.00 175.10 175.12 3hwe s ARG 109 N -0.14 0.30 -0.36 2.72 3.52 0.29 -0.62 118.95 124.65 3hwe s ARG 109 Ca 0.02 0.52 -0.29 0.00 -0.13 0.00 0.00 55.73 55.86 3hwe s ARG 109 Cb -0.06 -0.53 -0.00 0.00 -1.56 0.00 0.00 34.95 32.80 3hwe s ARG 109 CO -0.00 -0.59 1.55 0.08 -0.81 0.00 0.00 175.30 175.52 3hwe s VAL 110 N 2.50 3.76 -0.03 7.11 1.01 -0.86 -0.10 120.40 133.79 3hwe s VAL 110 Ca 0.10 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 62.65 3hwe s VAL 110 Cb -0.15 -3.98 -0.16 0.00 0.00 0.00 0.00 36.38 32.09 3hwe s VAL 110 CO -0.14 -0.59 0.99 0.58 0.00 0.00 0.00 175.10 175.93 3hwe h VAL 111 N 6.51 0.75 -2.53 2.92 2.07 0.23 -1.48 116.25 124.72 3hwe h VAL 111 Ca -0.30 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3hwe h VAL 111 Cb 1.13 1.21 -0.15 0.00 -1.52 0.00 0.00 31.29 31.95 3hwe h VAL 111 CO 1.06 0.17 0.22 -0.94 0.02 0.00 0.00 177.57 178.10 3hwe s SER 112 N -5.31 -0.60 -0.14 0.57 1.04 -1.01 -2.43 113.70 105.82 3hwe s SER 112 Ca -0.13 0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.30 3hwe s SER 112 Cb 0.01 0.56 0.12 0.00 0.10 0.00 0.00 66.02 66.81 3hwe s SER 112 CO 0.49 -0.80 0.94 0.28 0.98 0.00 0.00 173.24 175.13 3hwe s THR 113 N -2.62 0.00 -1.56 2.02 -1.32 -1.26 -0.02 115.64 110.87 3hwe s THR 113 Ca -0.04 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.63 3hwe s THR 113 Cb -0.01 -1.00 0.58 0.00 -1.51 0.00 0.00 72.50 70.56 3hwe s THR 113 CO -0.03 0.00 1.49 -0.46 -2.21 0.00 0.00 174.62 173.41 3hwe n ASN 114 N 0.72 3.85 0.00 8.08 6.94 -1.12 -5.00 115.26 128.74 3hwe n ASN 114 Ca -0.12 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 3hwe n ASN 114 Cb 0.58 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 1.27 0.00 -0.02 -2.53 4.01 -1.26 -4.49 117.16 114.14 3hwe n TYR 115 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 3hwe n TYR 115 Cb 0.63 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.42 0.99 0.10 7.72 0.23 -1.26 -4.77 115.26 118.69 3hwe n ASN 116 Ca 0.00 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 3hwe n ASN 116 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.00 0.00 -4.08 -3.83 6.02 -1.26 -4.81 117.38 109.42 3hwe n GLN 117 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 3hwe n GLN 117 Cb 0.01 -0.18 -0.10 0.00 1.02 0.00 0.00 30.24 30.98 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 -1.92 0.55 -0.06 1.08 -3.43 -1.26 0.25 115.29 110.49 3hwe s HIS 118 Ca 0.00 -0.90 -0.20 0.00 -0.80 0.00 0.00 55.06 53.17 3hwe s HIS 118 Cb 0.00 -0.38 0.04 0.00 -1.43 0.00 0.00 32.58 30.81 3hwe s HIS 118 CO 0.00 -0.28 0.44 0.00 -2.00 0.00 0.00 174.74 172.90 3hwe s ALA 119 N -3.22 -1.13 -0.14 -1.38 0.00 -0.33 -2.77 121.76 112.79 3hwe s ALA 119 Ca 0.02 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.79 3hwe s ALA 119 Cb 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3hwe s ALA 119 CO -0.07 -0.28 -0.17 -1.64 0.00 0.00 0.00 175.76 173.60 3hwe s MET 120 N -0.98 2.58 -0.08 0.00 -1.94 0.98 0.07 119.30 119.94 3hwe s MET 120 Ca -0.10 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 3hwe s MET 120 Cb -0.03 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.59 3hwe s MET 120 CO 0.05 -0.13 -0.19 0.08 -0.01 0.00 0.00 175.02 174.81 3hwe s VAL 121 N 1.16 1.67 -0.13 -6.03 1.01 -1.12 0.81 120.40 117.77 3hwe s VAL 121 Ca -0.01 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3hwe s VAL 121 Cb -0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 3hwe s VAL 121 CO -0.07 0.47 0.32 0.12 0.00 0.00 0.00 175.10 175.95 3hwe s PHE 122 N 0.35 3.51 -0.06 5.22 2.19 0.85 -2.49 117.98 127.54 3hwe s PHE 122 Ca -0.14 0.68 0.05 0.00 0.33 0.00 0.00 56.93 57.85 3hwe s PHE 122 Cb -0.16 -2.34 -0.00 0.00 -1.31 0.00 0.00 43.02 39.21 3hwe s PHE 122 CO 0.06 0.30 -0.22 -0.06 1.83 0.00 0.00 175.22 177.13 3hwe s PHE 123 N 0.23 2.20 -0.01 10.12 0.08 0.68 -0.55 117.98 130.72 3hwe s PHE 123 Ca 0.19 -0.73 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 3hwe s PHE 123 Cb -0.14 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 3hwe s PHE 123 CO 0.06 -0.26 0.02 0.21 -0.10 0.00 0.00 175.22 175.15 3hwe s LYS 124 N 0.08 0.01 0.01 0.44 2.20 -0.42 -0.29 119.74 121.77 3hwe s LYS 124 Ca -0.08 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.55 3hwe s LYS 124 Cb -0.14 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.13 3hwe s LYS 124 CO 0.05 -0.03 0.06 -1.59 -0.36 0.00 0.00 175.35 173.47 3hwe s LYS 125 N 0.21 0.38 -0.29 4.03 -2.85 -0.42 0.15 119.74 120.96 3hwe s LYS 125 Ca -0.02 -0.47 -0.07 0.00 -1.00 0.00 0.00 55.97 54.41 3hwe s LYS 125 Cb -0.02 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 3hwe s LYS 125 CO -0.01 -0.08 0.08 0.08 0.10 0.00 0.00 175.35 175.52 3hwe s VAL 126 N -1.34 4.03 -0.11 1.79 1.01 -0.65 -1.00 120.40 124.13 3hwe s VAL 126 Ca -0.14 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3hwe s VAL 126 Cb -0.08 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.30 3hwe s VAL 126 CO 0.00 0.14 0.00 -0.55 0.00 0.00 0.00 175.10 174.69 3hwe s SER 127 N 1.52 2.00 -0.69 3.32 0.15 -0.82 -1.87 113.70 117.32 3hwe s SER 127 Ca 0.03 -0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 3hwe s SER 127 Cb -0.17 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 3hwe s SER 127 CO 0.03 -0.22 0.25 0.00 1.20 0.00 0.00 173.24 174.50 3hwe n GLN 128 N 5.10 -2.06 -2.46 5.44 1.13 -0.91 -2.73 117.38 120.90 3hwe n GLN 128 Ca -0.08 0.40 -0.21 0.00 -1.94 0.00 0.00 57.00 55.17 3hwe n GLN 128 Cb 0.49 -4.22 -0.01 0.00 0.11 0.00 0.00 30.24 26.61 3hwe n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hwe n ASN 129 N -0.10 -5.95 -3.71 1.08 4.13 -1.26 -4.95 115.26 104.49 3hwe n ASN 129 Ca -0.05 -0.04 -0.28 0.00 1.68 0.00 0.00 54.58 55.89 3hwe n ASN 129 Cb 0.56 -4.94 -0.16 0.00 -1.54 0.00 0.00 39.78 33.69 3hwe n ASN 129 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3hwe s ARG 130 N -5.11 0.58 -0.21 3.52 3.52 -1.10 -5.11 118.95 115.03 3hwe s ARG 130 Ca 0.03 -0.45 -0.24 0.00 -0.13 0.00 0.00 55.73 54.94 3hwe s ARG 130 Cb -0.01 -2.03 -0.01 0.00 -1.56 0.00 0.00 34.95 31.33 3hwe s ARG 130 CO 0.03 -0.69 0.81 -2.00 -0.81 0.00 0.00 175.30 172.64 3hwe s GLU 131 N 1.88 4.24 0.15 5.12 2.12 -1.26 -1.95 118.70 129.00 3hwe s GLU 131 Ca 0.01 0.94 0.09 0.00 0.36 0.00 0.00 54.97 56.37 3hwe s GLU 131 Cb -0.17 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.57 3hwe s GLU 131 CO -0.11 -0.40 -0.16 0.71 -0.54 0.00 0.00 175.26 174.76 3hwe s TYR 132 N 2.43 2.52 0.06 5.30 1.51 -0.17 -4.81 117.35 124.19 3hwe s TYR 132 Ca 0.36 -0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 56.08 3hwe s TYR 132 Cb -0.16 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 3hwe s TYR 132 CO 0.10 0.45 0.14 -0.59 -1.11 0.00 0.00 175.55 174.54 3hwe s PHE 133 N -1.42 0.18 0.06 2.71 -0.71 -1.26 -1.29 117.98 116.24 3hwe s PHE 133 Ca 0.21 -0.54 -0.20 0.00 -1.04 0.00 0.00 56.93 55.36 3hwe s PHE 133 Cb -0.09 -0.11 0.05 0.00 -1.21 0.00 0.00 43.02 41.65 3hwe s PHE 133 CO 0.12 -0.45 0.47 -1.59 -1.34 0.00 0.00 175.22 172.43 3hwe s LYS 134 N -3.20 1.02 -0.07 1.99 -2.85 0.60 -3.00 119.74 114.23 3hwe s LYS 134 Ca -0.00 -0.35 0.04 0.00 -1.00 0.00 0.00 55.97 54.66 3hwe s LYS 134 Cb 0.02 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 3hwe s LYS 134 CO -0.07 -0.37 -0.19 0.42 0.10 0.00 0.00 175.35 175.24 3hwe s ILE 135 N -2.70 1.61 -0.04 3.79 1.09 0.25 -0.23 121.20 124.98 3hwe s ILE 135 Ca -0.04 -0.78 0.01 0.00 -1.10 0.00 0.00 60.65 58.74 3hwe s ILE 135 Cb -0.00 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.96 3hwe s ILE 135 CO -0.04 0.46 -0.02 0.42 -0.10 0.00 0.00 174.94 175.66 3hwe s THR 136 N 0.29 4.05 -0.70 2.92 -4.23 -1.04 -0.79 115.64 116.13 3hwe s THR 136 Ca -0.12 -0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 59.73 3hwe s THR 136 Cb -0.15 -2.74 0.18 0.00 1.34 0.00 0.00 72.50 71.12 3hwe s THR 136 CO 0.05 0.48 0.66 -0.22 -0.54 0.00 0.00 174.62 175.05 3hwe s LEU 137 N -1.22 6.44 0.28 4.79 0.20 -0.38 -2.80 118.68 125.98 3hwe s LEU 137 Ca 0.16 -2.26 -0.29 0.00 0.69 0.00 0.00 54.13 52.44 3hwe s LEU 137 Cb -0.11 -2.22 -0.09 0.00 -0.43 0.00 0.00 46.19 43.34 3hwe s LEU 137 CO 0.06 -0.72 1.03 -0.31 -0.29 0.00 0.00 176.35 176.12 3hwe s TYR 138 N 0.91 3.71 0.02 5.38 2.02 0.11 -1.62 117.35 127.88 3hwe s TYR 138 Ca 0.12 1.78 0.04 0.00 -0.37 0.00 0.00 57.07 58.64 3hwe s TYR 138 Cb -0.19 -3.14 -0.02 0.00 -0.40 0.00 0.00 41.96 38.21 3hwe s TYR 138 CO -0.03 -0.15 -0.13 0.20 -1.57 0.00 0.00 175.55 173.86 3hwe s GLY 139 N -1.09 0.70 0.16 0.71 0.00 0.85 -1.19 107.32 107.46 3hwe s GLY 139 Ca 0.45 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 44.40 3hwe s GLY 139 CO 0.36 -0.66 1.44 -0.09 0.00 0.00 0.00 173.10 174.15 3hwe h ARG 140 N 5.25 0.64 0.00 2.90 9.65 -0.51 0.32 114.38 132.63 3hwe h ARG 140 Ca -0.36 -0.43 -0.51 0.00 -1.10 0.00 0.00 59.98 57.58 3hwe h ARG 140 Cb 1.18 0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.83 3hwe h ARG 140 CO 0.46 1.05 -0.11 0.25 2.80 0.00 0.00 179.97 184.42 3hwe n THR 141 N -3.95 0.00 0.45 0.20 -2.24 -1.26 -4.69 114.28 102.79 3hwe n THR 141 Ca -0.04 -1.99 0.12 0.00 -2.27 0.00 0.00 64.05 59.87 3hwe n THR 141 Cb 0.65 -0.41 0.27 0.00 -2.10 0.00 0.00 70.33 68.73 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 -6.75 -0.78 1.57 -1.95 -3.41 116.57 105.25 3hwe h LYS 142 Ca -0.29 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.82 3hwe h LYS 142 Cb 1.26 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.37 3hwe h LYS 142 CO 0.42 0.00 -0.83 -1.21 -0.57 0.00 0.00 179.45 177.26 3hwe s GLU 143 N -3.16 1.59 0.00 3.15 0.41 -1.26 -4.84 118.70 114.59 3hwe s GLU 143 Ca 0.08 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 3hwe s GLU 143 Cb 0.10 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 3hwe s GLU 143 CO 0.65 0.45 0.00 1.28 -0.49 0.00 0.00 175.26 177.15 3hwe n LEU 144 N 0.67 0.00 0.00 1.80 4.77 -1.26 -4.89 117.00 118.08 3hwe n LEU 144 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3hwe n LEU 144 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3hwe n LEU 144 CO 0.27 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.22 3hwe n LEU 148 N 0.00 0.00 0.25 2.23 0.00 -1.26 -5.10 117.00 113.12 3hwe n LEU 148 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 56.01 56.10 3hwe n LEU 148 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 43.42 44.06 3hwe n LEU 148 CO 0.00 0.00 1.00 0.11 0.00 0.00 0.00 177.39 178.50 3hwe h LYS 149 N 0.00 0.00 0.09 1.96 1.57 -2.01 -2.94 116.57 115.25 3hwe h LYS 149 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3hwe h LYS 149 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hwe h LYS 149 CO 0.00 0.09 -0.67 0.93 -0.57 0.00 0.00 179.45 179.23 3hwe h GLU 150 N 0.00 0.19 -0.16 3.15 3.07 -1.99 -3.09 114.58 115.75 3hwe h GLU 150 Ca -0.00 -0.33 0.05 0.00 -0.50 0.00 0.00 59.36 58.57 3hwe h GLU 150 Cb 0.17 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3hwe h GLU 150 CO 0.01 1.16 0.31 -0.91 -1.40 0.00 0.00 179.01 178.18 3hwe h ASN 151 N -0.57 0.00 0.02 1.42 -0.26 -1.98 0.42 115.58 114.63 3hwe h ASN 151 Ca -0.13 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.41 3hwe h ASN 151 Cb 1.46 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.74 3hwe h ASN 151 CO 0.08 0.00 -0.79 0.15 -1.06 0.00 0.00 177.43 175.82 3hwe h PHE 152 N 0.00 0.75 -0.04 1.19 -0.00 -1.54 -2.63 116.94 114.67 3hwe h PHE 152 Ca 0.07 -0.42 -0.00 0.00 -0.00 0.00 0.00 57.97 57.62 3hwe h PHE 152 Cb 0.69 -0.08 -0.00 0.00 -0.00 0.00 0.00 35.95 36.56 3hwe h PHE 152 CO 0.00 1.26 0.02 0.82 -0.00 0.00 0.00 178.31 180.41 3hwe h ILE 153 N 0.04 1.10 -0.93 1.41 2.04 -0.21 0.85 117.51 121.81 3hwe h ILE 153 Ca -0.10 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.54 3hwe h ILE 153 Cb 1.49 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.73 3hwe h ILE 153 CO 0.15 0.08 0.58 0.03 0.00 0.00 0.00 178.15 179.00 3hwe h ARG 154 N -0.05 0.97 -0.21 2.37 3.08 -0.96 0.61 114.38 120.19 3hwe h ARG 154 Ca 0.01 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 3hwe h ARG 154 Cb 0.12 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3hwe h ARG 154 CO -0.00 0.64 -0.65 0.35 -1.07 0.00 0.00 179.97 179.24 3hwe h PHE 155 N 1.00 0.98 -0.75 3.04 3.57 -1.28 -2.28 116.94 121.21 3hwe h PHE 155 Ca 0.43 -0.39 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3hwe h PHE 155 Cb 0.30 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3hwe h PHE 155 CO -0.02 1.20 0.30 0.77 -2.23 0.00 0.00 178.31 178.32 3hwe h SER 156 N 0.55 1.03 0.52 0.41 0.02 -0.27 -2.79 113.55 113.03 3hwe h SER 156 Ca -0.02 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 3hwe h SER 156 Cb 1.25 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3hwe h SER 156 CO 0.13 0.93 -0.40 0.11 -1.14 0.00 0.00 176.83 176.46 3hwe h LYS 157 N 1.08 0.00 0.00 3.45 1.57 -0.86 -2.26 116.57 119.54 3hwe h LYS 157 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3hwe h LYS 157 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hwe h LYS 157 CO -0.02 0.40 0.00 0.66 -0.57 0.00 0.00 179.45 179.92 3hwe h SER 158 N 0.00 0.00 -0.29 0.86 4.64 -1.14 -2.15 113.55 115.47 3hwe h SER 158 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwe h SER 158 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3hwe h SER 158 CO 0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 3hwe n LEU 159 N -2.74 2.35 -0.61 5.97 4.77 -1.09 -4.94 117.00 120.71 3hwe n LEU 159 Ca 0.03 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3hwe n LEU 159 Cb 0.36 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hwe n LEU 159 CO 0.27 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3hwe n GLY 160 N 1.26 0.68 3.13 -0.72 0.00 -0.81 -4.59 105.19 104.15 3hwe n GLY 160 Ca 0.17 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.23 2.83 1.00 0.99 1.43 -0.87 -4.92 118.68 117.91 3hwe s LEU 161 Ca 0.00 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 3hwe s LEU 161 Cb 0.00 -1.56 0.19 0.00 0.03 0.00 0.00 46.19 44.85 3hwe s LEU 161 CO 0.00 -0.09 1.08 -2.84 0.23 0.00 0.00 176.35 174.73 3hwe s PRO 162 N 1.25 0.43 0.59 1.29 0.02 -1.26 -3.79 135.00 133.53 3hwe s PRO 162 Ca -0.00 0.92 0.34 0.00 0.02 0.00 0.00 61.00 62.28 3hwe s PRO 162 Cb -0.16 -1.71 1.86 0.00 0.02 0.00 0.00 34.50 34.51 3hwe s PRO 162 CO -0.08 -2.83 2.21 1.05 -0.33 0.00 0.00 177.00 177.01 3hwe h GLU 163 N -1.98 0.00 -0.99 5.54 9.09 -1.98 -2.11 114.58 122.14 3hwe h GLU 163 Ca -0.53 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.04 3hwe h GLU 163 Cb 1.30 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 28.30 3hwe h GLU 163 CO 0.51 0.04 0.60 -0.97 0.05 0.00 0.00 179.01 179.24 3hwe h ASN 164 N 0.00 0.81 -0.09 3.06 -1.24 -1.97 -2.93 115.58 113.22 3hwe h ASN 164 Ca -0.00 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3hwe h ASN 164 Cb 0.16 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3hwe h ASN 164 CO 0.00 0.35 0.00 1.41 -1.29 0.00 0.00 177.43 177.90 3hwe n HIS 165 N -4.73 0.08 -3.68 0.67 8.25 -0.80 -1.49 115.22 113.53 3hwe n HIS 165 Ca 0.21 -0.04 -0.37 0.00 -0.26 0.00 0.00 57.72 57.26 3hwe n HIS 165 Cb 0.48 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.92 5.27 0.14 1.59 1.01 -1.11 -3.11 121.20 123.08 3hwe s ILE 166 Ca 0.30 0.15 0.07 0.00 0.00 0.00 0.00 60.65 61.17 3hwe s ILE 166 Cb 0.21 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 3hwe s ILE 166 CO 0.30 0.34 -0.16 -0.69 0.00 0.00 0.00 174.94 174.73 3hwe s VAL 167 N 1.14 1.53 -0.43 2.92 1.01 0.25 -4.83 120.40 122.00 3hwe s VAL 167 Ca 0.07 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.30 3hwe s VAL 167 Cb -0.14 -1.64 0.14 0.00 0.00 0.00 0.00 36.38 34.74 3hwe s VAL 167 CO 0.05 -0.35 0.24 -0.36 0.00 0.00 0.00 175.10 174.68 3hwe s PHE 168 N -2.02 1.73 0.24 5.22 0.40 -1.26 -0.07 117.98 122.21 3hwe s PHE 168 Ca 0.11 -2.27 -0.29 0.00 -0.60 0.00 0.00 56.93 53.88 3hwe s PHE 168 Cb -0.06 -1.68 -0.15 0.00 0.51 0.00 0.00 43.02 41.65 3hwe s PHE 168 CO 0.04 -0.79 0.90 -2.30 0.70 0.00 0.00 175.22 173.77 3hwe n PRO 169 N 3.60 0.92 -2.85 0.24 -0.02 -1.25 -4.92 135.00 130.72 3hwe n PRO 169 Ca 0.10 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3hwe n PRO 169 Cb 0.35 -1.61 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 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 -0.89 4.86 0.52 -1.45 0.11 -0.35 -4.60 120.40 118.61 3hwe s VAL 170 Ca 0.63 1.71 -0.20 0.00 -2.93 0.00 0.00 61.98 61.19 3hwe s VAL 170 Cb -0.80 -4.17 -0.08 0.00 -1.53 0.00 0.00 36.38 29.80 3hwe s VAL 170 CO 0.58 0.01 0.84 -2.65 -3.33 0.00 0.00 175.10 170.54 3hwe n PRO 171 N 5.27 0.92 -4.03 1.54 -0.02 -1.26 -0.75 135.00 136.68 3hwe n PRO 171 Ca 0.05 0.34 -0.09 0.00 -2.02 0.00 0.00 63.50 61.79 3hwe n PRO 171 Cb 0.49 -1.96 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.49 0.14 -0.34 4.25 -4.36 -1.26 -4.81 121.20 113.33 3hwe s ILE 172 Ca 0.69 -1.60 0.22 0.00 -0.26 0.00 0.00 60.65 59.70 3hwe s ILE 172 Cb -0.48 -1.69 -0.25 0.00 1.25 0.00 0.00 42.46 41.29 3hwe s ILE 172 CO 0.53 -0.62 0.71 0.47 0.24 0.00 0.00 174.94 176.27 3hwe n ASP 173 N -0.06 0.38 -4.72 4.36 10.43 -1.26 -4.84 116.55 120.84 3hwe n ASP 173 Ca -0.10 -0.20 -0.41 0.00 2.57 0.00 0.00 54.79 56.64 3hwe n ASP 173 Cb 0.62 1.45 -0.04 0.00 1.84 0.00 0.00 41.12 45.00 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 -3.35 4.55 0.00 -1.24 1.11 -1.26 -4.31 119.66 115.17 3hwe s GLN 174 Ca -0.02 1.27 0.00 0.00 0.01 0.00 0.00 55.36 56.62 3hwe s GLN 174 Cb 0.14 -3.43 0.00 0.00 -1.01 0.00 0.00 33.01 28.71 3hwe s GLN 174 CO 0.87 0.07 0.00 0.00 0.01 0.00 0.00 175.29 176.24 3hwe n ILE 176 N 0.00 0.00 0.02 0.00 -0.00 -1.26 -5.01 119.36 113.10 3hwe n ILE 176 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3hwe n ILE 176 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.13 3hwe n ILE 176 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02