#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbb n LEU 3 N 0.00 1.02 -2.01 2.46 -0.00 -1.26 -4.75 117.00 112.46 3hbb n LEU 3 Ca 0.00 -3.42 -0.25 0.00 -0.00 0.00 0.00 56.01 52.34 3hbb n LEU 3 Cb 0.00 0.39 0.11 0.00 -0.00 0.00 0.00 43.42 43.92 3hbb n LEU 3 CO 0.00 1.42 1.00 0.49 -0.00 0.00 0.00 177.39 180.29 3hbb n PHE 4 N -0.38 2.67 -2.06 1.96 3.01 -1.26 -5.03 117.46 116.37 3hbb n PHE 4 Ca 0.06 -2.37 -0.28 0.00 1.01 0.00 0.00 57.45 55.87 3hbb n PHE 4 Cb 0.82 -0.93 0.14 0.00 -0.01 0.00 0.00 39.48 39.49 3hbb n PHE 4 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3hbb s LYS 5 N -3.57 1.29 -0.23 -1.08 -0.14 -1.26 -5.07 119.74 109.68 3hbb s LYS 5 Ca 0.56 -0.38 -0.06 0.00 -1.36 0.00 0.00 55.97 54.73 3hbb s LYS 5 Cb 0.46 -1.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.60 3hbb s LYS 5 CO 0.02 -1.93 0.04 0.42 -0.76 0.00 0.00 175.35 173.14 3hbb s ILE 6 N -3.62 4.14 -0.12 2.17 1.01 -1.26 -5.01 121.20 118.51 3hbb s ILE 6 Ca 0.68 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.83 3hbb s ILE 6 Cb -0.07 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 3hbb s ILE 6 CO 0.50 0.38 0.88 -0.60 0.00 0.00 0.00 174.94 176.10 3hbb s ARG 7 N 1.39 4.38 0.53 2.79 3.52 -1.26 0.23 118.95 130.53 3hbb s ARG 7 Ca 0.05 1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 56.60 3hbb s ARG 7 Cb -0.15 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.65 3hbb s ARG 7 CO 0.02 -0.25 1.16 -1.64 -0.81 0.00 0.00 175.30 173.78 3hbb s MET 8 N 1.84 3.36 0.76 5.12 -1.94 -0.49 -4.89 119.30 123.06 3hbb s MET 8 Ca 0.42 1.71 -0.15 0.00 -1.71 0.00 0.00 55.69 55.96 3hbb s MET 8 Cb -0.18 -2.08 0.04 0.00 2.01 0.00 0.00 34.83 34.62 3hbb s MET 8 CO 0.16 -0.86 1.11 -2.30 -0.01 0.00 0.00 175.02 173.11 3hbb n PRO 9 N -1.17 0.42 -0.30 2.03 -0.02 -1.26 -4.90 135.00 129.80 3hbb n PRO 9 Ca 0.11 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 3hbb n PRO 9 Cb 0.50 -2.36 0.31 0.00 -0.02 0.00 0.00 33.50 31.93 3hbb n PRO 9 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hbb h GLU 10 N -0.49 0.21 0.00 -0.52 9.09 -1.98 -3.45 114.58 117.45 3hbb h GLU 10 Ca -0.47 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.93 3hbb h GLU 10 Cb 1.32 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 3hbb h GLU 10 CO 0.47 0.14 0.00 0.25 0.05 0.00 0.00 179.01 179.92 3hbb n THR 11 N -5.21 0.00 -4.26 -1.06 -2.24 -1.26 -5.17 114.28 95.08 3hbb n THR 11 Ca 0.22 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.73 3hbb n THR 11 Cb 0.71 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 3hbb n THR 11 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hbb s VAL 12 N 2.97 3.34 0.59 2.28 1.01 -1.26 -5.06 120.40 124.26 3hbb s VAL 12 Ca 0.00 -1.51 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 3hbb s VAL 12 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3hbb s VAL 12 CO 0.00 -0.05 1.31 0.00 0.00 0.00 0.00 175.10 176.36 3hbb s ALA 13 N -1.58 2.63 0.05 5.51 0.00 -1.26 -4.96 121.76 122.14 3hbb s ALA 13 Ca 0.24 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 3hbb s ALA 13 Cb -0.09 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 3hbb s ALA 13 CO 0.15 -1.41 1.10 -2.00 0.00 0.00 0.00 175.76 173.61 3hbb s GLU 14 N -3.13 4.50 0.00 0.00 2.12 -1.26 -3.33 118.70 117.60 3hbb s GLU 14 Ca 0.76 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.72 3hbb s GLU 14 Cb -0.38 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.63 3hbb s GLU 14 CO 0.42 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 3hbb n GLY 15 N 2.97 0.71 3.71 -1.50 0.00 -1.26 -4.81 105.19 105.02 3hbb n GLY 15 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3hbb n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbb s THR 16 N -2.15 3.25 0.41 2.61 2.01 -1.21 -5.02 115.64 115.55 3hbb s THR 16 Ca 0.00 0.87 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 3hbb s THR 16 Cb 0.00 -3.56 -0.11 0.00 0.01 0.00 0.00 72.50 68.85 3hbb s THR 16 CO 0.00 0.05 0.95 0.00 -0.69 0.00 0.00 174.62 174.93 3hbb s ARG 17 N 1.37 4.28 0.31 4.92 1.70 -1.26 -5.06 118.95 125.21 3hbb s ARG 17 Ca 0.66 1.15 -0.28 0.00 -0.47 0.00 0.00 55.73 56.79 3hbb s ARG 17 Cb -0.37 -2.27 -0.09 0.00 -0.57 0.00 0.00 34.95 31.64 3hbb s ARG 17 CO 0.30 0.01 1.08 -1.17 -1.08 0.00 0.00 175.30 174.45 3hbb s LEU 18 N -3.02 4.44 -0.04 -1.89 0.20 -1.26 -4.96 118.68 112.15 3hbb s LEU 18 Ca 0.60 2.21 -0.29 0.00 0.69 0.00 0.00 54.13 57.33 3hbb s LEU 18 Cb -0.10 -3.78 -0.07 0.00 -0.43 0.00 0.00 46.19 41.80 3hbb s LEU 18 CO 0.15 -0.24 1.97 0.00 -0.29 0.00 0.00 176.35 177.94 3hbb s ALA 19 N -1.29 3.38 0.46 5.97 0.00 -1.26 -5.00 121.76 124.02 3hbb s ALA 19 Ca 0.48 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.58 3hbb s ALA 19 Cb -0.29 -3.89 0.01 0.00 0.00 0.00 0.00 23.12 18.95 3hbb s ALA 19 CO 0.37 -1.84 0.67 -0.51 0.00 0.00 0.00 175.76 174.45 3hbb s LEU 20 N 5.29 3.59 0.09 0.00 1.43 -1.26 -4.37 118.68 123.44 3hbb s LEU 20 Ca 0.89 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 3hbb s LEU 20 Cb -0.39 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3hbb s LEU 20 CO 0.38 -0.78 0.01 -0.60 0.23 0.00 0.00 176.35 175.59 3hbb s ARG 21 N -4.55 2.59 0.32 1.70 6.06 -0.79 -4.85 118.95 119.43 3hbb s ARG 21 Ca 0.50 -0.81 -0.20 0.00 -2.50 0.00 0.00 55.73 52.72 3hbb s ARG 21 Cb -0.10 -2.57 -0.09 0.00 0.06 0.00 0.00 34.95 32.25 3hbb s ARG 21 CO 0.37 0.55 0.82 0.00 -2.50 0.00 0.00 175.30 174.53 3hbb s ALA 22 N -1.31 3.26 -0.01 6.12 0.00 -1.26 -4.88 121.76 123.67 3hbb s ALA 22 Ca 0.26 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 3hbb s ALA 22 Cb -0.12 -2.94 0.03 0.00 0.00 0.00 0.00 23.12 20.09 3hbb s ALA 22 CO 0.18 0.26 0.36 -0.59 0.00 0.00 0.00 175.76 175.98 3hbb s PHE 23 N -1.84 -0.24 0.50 0.00 -0.71 -1.00 -4.22 117.98 110.47 3hbb s PHE 23 Ca 0.52 0.36 0.05 0.00 -1.04 0.00 0.00 56.93 56.82 3hbb s PHE 23 Cb -0.13 0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.85 3hbb s PHE 23 CO 0.18 -0.44 0.69 -1.12 -1.34 0.00 0.00 175.22 173.20 3hbb s SER 24 N -1.39 5.39 -0.06 1.98 0.01 -0.36 -0.34 113.70 118.93 3hbb s SER 24 Ca -0.12 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.88 3hbb s SER 24 Cb -0.04 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.55 3hbb s SER 24 CO 0.04 -1.02 -0.06 -0.22 0.41 0.00 0.00 173.24 172.40 3hbb s LEU 25 N -4.59 1.27 -0.15 2.44 0.20 0.01 -0.85 118.68 117.02 3hbb s LEU 25 Ca 0.57 -0.17 0.00 0.00 0.69 0.00 0.00 54.13 55.22 3hbb s LEU 25 Cb -0.10 -0.56 -0.01 0.00 -0.43 0.00 0.00 46.19 45.09 3hbb s LEU 25 CO 0.36 -0.06 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.53 3hbb s VAL 26 N 1.10 2.80 0.10 1.68 1.01 -1.04 0.24 120.40 126.30 3hbb s VAL 26 Ca -0.08 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 3hbb s VAL 26 Cb -0.14 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 3hbb s VAL 26 CO -0.01 0.51 0.21 0.54 0.00 0.00 0.00 175.10 176.35 3hbb s VAL 27 N 0.68 0.13 -0.04 2.92 0.11 -0.66 -4.41 120.40 119.13 3hbb s VAL 27 Ca -0.07 -1.22 -0.00 0.00 -2.93 0.00 0.00 61.98 57.76 3hbb s VAL 27 Cb -0.16 -1.43 0.03 0.00 -1.53 0.00 0.00 36.38 33.29 3hbb s VAL 27 CO 0.02 -0.58 0.01 0.00 -3.33 0.00 0.00 175.10 171.21 3hbb s ALA 28 N -3.88 0.36 0.21 1.54 0.00 -1.26 -2.11 121.76 116.62 3hbb s ALA 28 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3hbb s ALA 28 Cb 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 3hbb s ALA 28 CO -0.09 -0.17 0.09 0.14 0.00 0.00 0.00 175.76 175.73 3hbb s VAL 29 N 1.28 0.32 0.50 0.00 -7.23 -0.20 -4.66 120.40 110.41 3hbb s VAL 29 Ca -0.06 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.21 3hbb s VAL 29 Cb -0.13 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.41 3hbb s VAL 29 CO -0.02 -0.13 0.65 1.51 -0.31 0.00 0.00 175.10 176.80 3hbb s ASP 30 N -3.21 5.29 0.05 4.85 1.47 -1.19 0.40 116.67 124.33 3hbb s ASP 30 Ca 0.35 -0.70 -0.31 0.00 1.18 0.00 0.00 52.55 53.07 3hbb s ASP 30 Cb 0.07 -0.14 -0.06 0.00 -0.34 0.00 0.00 42.92 42.46 3hbb s ASP 30 CO 0.10 -1.05 1.29 -1.61 0.68 0.00 0.00 175.17 174.58 3hbb s GLU 31 N -4.48 4.36 0.00 2.11 8.01 -1.26 -2.35 118.70 125.09 3hbb s GLU 31 Ca 0.56 1.87 0.00 0.00 0.01 0.00 0.00 54.97 57.42 3hbb s GLU 31 Cb -0.07 -3.39 0.00 0.00 -4.31 0.00 0.00 34.13 26.36 3hbb s GLU 31 CO 0.35 -0.39 0.00 -2.13 0.01 0.00 0.00 175.26 173.10 3hbb n ARG 32 N 4.37 0.00 -0.48 1.61 0.00 -1.26 -4.80 116.66 116.11 3hbb n ARG 32 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 3hbb n ARG 32 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 3hbb n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hbb n GLY 33 N 0.00 0.75 3.77 5.14 0.00 -0.99 -4.83 105.19 109.02 3hbb n GLY 33 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3hbb n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hbb s GLY 34 N -1.68 3.01 0.00 -0.02 0.00 -1.26 0.17 107.32 107.54 3hbb s GLY 34 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.88 3hbb s GLY 34 CO 0.00 1.79 0.00 0.29 0.00 0.00 0.00 173.10 175.18 3hbb n ILE 35 N 0.83 0.00 -4.02 0.90 -6.64 -1.10 -3.16 119.36 106.17 3hbb n ILE 35 Ca 0.00 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 60.88 3hbb n ILE 35 Cb 0.43 -0.50 -0.05 0.00 -1.44 0.00 0.00 39.64 38.08 3hbb n ILE 35 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3hbb s GLY 36 N -2.46 0.78 -0.22 3.28 0.00 -1.24 -4.62 107.32 102.83 3hbb s GLY 36 Ca 0.00 -1.05 0.13 0.00 0.00 0.00 0.00 44.72 43.80 3hbb s GLY 36 CO 0.00 -0.73 1.39 2.09 0.00 0.00 0.00 173.10 175.85 3hbb n ASP 37 N -0.64 2.90 0.00 1.64 5.68 -1.13 -3.36 116.55 121.63 3hbb n ASP 37 Ca -0.01 -3.43 0.00 0.00 -0.50 0.00 0.00 54.79 50.85 3hbb n ASP 37 Cb 0.62 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3hbb n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbb n GLY 38 N -0.96 2.78 0.00 6.12 0.00 -1.26 -4.74 105.19 107.14 3hbb n GLY 38 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hbb n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbb n ARG 39 N 0.00 1.20 0.00 1.61 3.00 -1.26 -5.10 116.66 116.11 3hbb n ARG 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hbb n ARG 39 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.45 3hbb n ARG 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3hbb n SER 40 N -2.36 0.00 -4.62 0.55 2.88 -1.26 -4.67 113.62 104.15 3hbb n SER 40 Ca -0.01 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 3hbb n SER 40 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 3hbb n SER 40 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3hbb s ILE 41 N -1.98 5.09 0.09 2.46 -4.36 -1.26 -2.84 121.20 118.40 3hbb s ILE 41 Ca 0.00 0.84 0.21 0.00 -0.26 0.00 0.00 60.65 61.44 3hbb s ILE 41 Cb 0.00 -3.81 0.18 0.00 1.25 0.00 0.00 42.46 40.08 3hbb s ILE 41 CO 0.00 0.10 1.74 -0.65 0.24 0.00 0.00 174.94 176.37 3hbb h PRO 42 N 8.00 0.00 -6.32 0.37 0.11 -1.92 -3.44 132.00 128.80 3hbb h PRO 42 Ca -0.30 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.15 3hbb h PRO 42 Cb 1.14 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 3hbb h PRO 42 CO 0.71 0.31 -0.68 1.67 -0.21 0.00 0.00 178.00 179.80 3hbb s TRP 43 N -3.53 2.95 -0.76 0.65 -2.14 -1.26 -5.06 118.94 109.79 3hbb s TRP 43 Ca 0.01 -0.02 -0.13 0.00 2.66 0.00 0.00 56.10 58.62 3hbb s TRP 43 Cb 0.10 -1.57 0.20 0.00 -3.10 0.00 0.00 33.47 29.10 3hbb s TRP 43 CO 0.67 0.44 0.69 1.21 -2.66 0.00 0.00 176.95 177.30 3hbb s ASN 44 N -1.94 6.49 -0.01 -2.66 3.04 -1.26 -5.03 114.94 113.57 3hbb s ASN 44 Ca 0.22 -2.60 0.02 0.00 0.04 0.00 0.00 52.86 50.54 3hbb s ASN 44 Cb -0.11 -2.16 -0.00 0.00 -1.54 0.00 0.00 41.25 37.43 3hbb s ASN 44 CO 0.14 -0.58 -0.08 -0.69 -3.04 0.00 0.00 177.10 172.85 3hbb s VAL 45 N 0.31 0.61 0.15 -5.21 1.01 -1.26 -4.78 120.40 111.24 3hbb s VAL 45 Ca 0.16 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3hbb s VAL 45 Cb -0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3hbb s VAL 45 CO -0.07 0.18 0.14 -2.65 0.00 0.00 0.00 175.10 172.70 3hbb n PRO 46 N 3.03 0.20 0.00 2.72 -0.02 -1.26 -4.74 135.00 134.92 3hbb n PRO 46 Ca -0.15 -1.52 0.00 0.00 -2.02 0.00 0.00 63.50 59.82 3hbb n PRO 46 Cb 0.56 1.26 0.00 0.00 -0.02 0.00 0.00 33.50 35.30 3hbb n PRO 46 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hbb n GLU 47 N -0.29 0.00 0.06 -0.52 0.00 -1.26 -4.66 120.64 113.97 3hbb n GLU 47 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.08 3hbb n GLU 47 Cb 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 31.44 31.49 3hbb n GLU 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 3hbb h ASP 48 N 0.00 -0.18 0.00 4.31 3.58 -1.98 -3.34 116.42 118.82 3hbb h ASP 48 Ca 0.00 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.09 3hbb h ASP 48 Cb 0.00 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3hbb h ASP 48 CO 0.00 0.34 0.00 0.23 -2.88 0.00 0.00 179.24 176.93 3hbb n MET 49 N -4.94 0.00 0.07 0.28 2.81 -1.26 0.17 117.12 114.24 3hbb n MET 49 Ca -0.08 0.21 0.15 0.00 -1.81 0.00 0.00 57.70 56.16 3hbb n MET 49 Cb 0.27 -0.35 0.27 0.00 -0.71 0.00 0.00 33.22 32.70 3hbb n MET 49 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3hbb h LYS 50 N 0.00 0.00 0.00 0.03 3.64 -1.96 1.22 116.57 119.49 3hbb h LYS 50 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3hbb h LYS 50 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hbb h LYS 50 CO 0.00 0.00 -0.54 0.35 -2.27 0.00 0.00 179.45 176.99 3hbb h PHE 51 N 0.00 0.00 -0.13 1.91 3.57 0.16 -1.97 116.94 120.48 3hbb h PHE 51 Ca 0.24 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.77 3hbb h PHE 51 Cb 2.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 41.07 3hbb h PHE 51 CO 0.00 1.20 0.20 0.35 -2.23 0.00 0.00 178.31 177.83 3hbb h PHE 52 N -1.00 0.00 0.00 0.41 3.57 0.26 -0.89 116.94 119.29 3hbb h PHE 52 Ca -0.15 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 3hbb h PHE 52 Cb 1.12 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 3hbb h PHE 52 CO 0.20 0.00 -0.78 -0.09 -2.23 0.00 0.00 178.31 175.41 3hbb h ARG 53 N 0.00 0.00 -0.47 1.11 2.43 -1.00 -3.32 114.38 113.13 3hbb h ARG 53 Ca 0.06 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 3hbb h ARG 53 Cb 0.46 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3hbb h ARG 53 CO -0.00 0.62 0.32 -0.44 -1.51 0.00 0.00 179.97 178.96 3hbb h ASP 54 N -1.00 0.28 0.70 -3.80 3.32 -0.82 0.15 116.42 115.25 3hbb h ASP 54 Ca -0.17 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.62 3hbb h ASP 54 Cb 0.92 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3hbb h ASP 54 CO -0.11 0.18 -1.26 1.62 -1.72 0.00 0.00 179.24 177.95 3hbb h VAL 55 N 0.31 1.44 0.00 -1.35 3.04 -1.39 -3.07 116.25 115.24 3hbb h VAL 55 Ca 0.21 -3.10 -0.09 0.00 -1.01 0.00 0.00 66.70 62.71 3hbb h VAL 55 Cb 0.44 2.83 -0.02 0.00 -2.01 0.00 0.00 31.29 32.54 3hbb h VAL 55 CO -0.05 0.87 -0.83 0.71 -1.01 0.00 0.00 177.57 177.27 3hbb h THR 56 N 0.04 0.48 0.00 3.17 1.35 -1.48 -3.41 112.91 113.06 3hbb h THR 56 Ca -0.13 -1.77 -0.03 0.00 -0.55 0.00 0.00 66.41 63.93 3hbb h THR 56 Cb 1.92 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 70.41 3hbb h THR 56 CO 0.16 0.27 -0.53 0.74 -0.25 0.00 0.00 175.52 175.91 3hbb h THR 57 N 0.00 0.13 -3.55 6.82 2.02 -0.84 -3.42 112.91 114.07 3hbb h THR 57 Ca -0.06 -1.15 -0.57 0.00 0.77 0.00 0.00 66.41 65.40 3hbb h THR 57 Cb 1.33 0.30 0.17 0.00 -1.74 0.00 0.00 68.15 68.22 3hbb h THR 57 CO 0.04 0.04 0.04 1.17 0.37 0.00 0.00 175.52 177.18 3hbb n LYS 58 N -4.61 0.74 -4.50 6.66 4.81 -1.16 -4.73 118.16 115.36 3hbb n LYS 58 Ca -0.09 0.29 -0.28 0.00 -0.87 0.00 0.00 58.31 57.36 3hbb n LYS 58 Cb 0.29 -2.12 -0.13 0.00 0.02 0.00 0.00 35.03 33.08 3hbb n LYS 58 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3hbb s LEU 59 N -1.92 2.28 0.00 3.14 1.43 -1.26 -4.84 118.68 117.50 3hbb s LEU 59 Ca 0.75 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3hbb s LEU 59 Cb -0.40 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3hbb s LEU 59 CO 0.48 0.18 0.00 0.54 0.23 0.00 0.00 176.35 177.78 3hbb n ARG 60 N 1.18 0.00 -1.31 1.70 1.74 -1.26 -4.42 116.66 114.29 3hbb n ARG 60 Ca -0.18 0.00 0.17 0.00 -0.77 0.00 0.00 57.85 57.07 3hbb n ARG 60 Cb 0.53 -0.29 -0.05 0.00 -1.02 0.00 0.00 32.46 31.62 3hbb n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hbb n GLY 61 N 0.00 -2.05 0.00 -0.13 0.00 -1.26 -4.95 105.19 96.80 3hbb n GLY 61 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3hbb n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hbb n LYS 62 N -3.92 0.00 -0.30 1.61 3.00 -1.26 -4.96 118.16 112.33 3hbb n LYS 62 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3hbb n LYS 62 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.69 3hbb n LYS 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3hbb n ASN 63 N 0.00 -1.44 -3.74 3.14 3.02 -1.26 -5.06 115.26 109.91 3hbb n ASN 63 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hbb n ASN 63 Cb 0.00 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3hbb n ASN 63 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3hbb n VAL 64 N 0.79 0.00 0.00 2.41 3.14 -1.26 -4.97 118.33 118.44 3hbb n VAL 64 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3hbb n VAL 64 Cb 0.00 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.32 3hbb n VAL 64 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 3hbb n LYS 65 N 0.00 0.00 -1.11 1.45 2.85 -1.26 -5.06 118.16 115.02 3hbb n LYS 65 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 3hbb n LYS 65 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 3hbb n LYS 65 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hbb n PRO 66 N 0.00 0.04 -4.39 -1.58 -0.02 -1.26 -4.58 135.00 123.22 3hbb n PRO 66 Ca 0.00 -1.12 -0.23 0.00 -2.02 0.00 0.00 63.50 60.12 3hbb n PRO 66 Cb 0.00 -2.87 -0.09 0.00 -0.02 0.00 0.00 33.50 30.53 3hbb n PRO 66 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hbb s SER 67 N 6.51 4.05 0.59 2.55 1.04 -1.00 -4.81 113.70 122.63 3hbb s SER 67 Ca 0.60 -0.85 0.29 0.00 0.48 0.00 0.00 55.95 56.48 3hbb s SER 67 Cb 0.02 -0.56 1.56 0.00 0.10 0.00 0.00 66.02 67.15 3hbb s SER 67 CO 0.20 0.02 1.99 -0.65 0.98 0.00 0.00 173.24 175.78 3hbb h PRO 68 N 2.09 0.00 -0.03 4.02 0.11 -1.96 -2.10 132.00 134.14 3hbb h PRO 68 Ca -0.42 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.49 3hbb h PRO 68 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hbb h PRO 68 CO 0.60 0.00 -0.84 0.00 -0.21 0.00 0.00 178.00 177.55 3hbb h ALA 69 N 1.60 0.50 -1.97 -0.75 0.00 -1.91 -3.44 119.26 113.29 3hbb h ALA 69 Ca 0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 3hbb h ALA 69 Cb 0.84 -0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.28 3hbb h ALA 69 CO -0.00 0.82 -0.47 0.21 0.00 0.00 0.00 179.25 179.81 3hbb s LYS 70 N -3.38 0.34 0.21 0.00 2.20 -0.79 -4.21 119.74 114.11 3hbb s LYS 70 Ca -0.05 0.58 -0.22 0.00 -0.36 0.00 0.00 55.97 55.92 3hbb s LYS 70 Cb 0.10 -0.41 0.05 0.00 -1.51 0.00 0.00 37.83 36.06 3hbb s LYS 70 CO 0.85 -0.60 0.64 -0.98 -0.36 0.00 0.00 175.35 174.90 3hbb s ARG 71 N 2.55 1.49 0.75 4.03 1.70 -0.93 -2.37 118.95 126.16 3hbb s ARG 71 Ca 0.11 -0.70 -0.07 0.00 -0.47 0.00 0.00 55.73 54.61 3hbb s ARG 71 Cb -0.15 0.59 0.10 0.00 -0.57 0.00 0.00 34.95 34.92 3hbb s ARG 71 CO -0.15 -0.66 1.05 -0.80 -1.08 0.00 0.00 175.30 173.65 3hbb s ASN 72 N -2.82 4.43 0.11 -2.89 0.01 -1.26 -0.27 114.94 112.25 3hbb s ASN 72 Ca 0.05 0.21 0.06 0.00 -0.71 0.00 0.00 52.86 52.47 3hbb s ASN 72 Cb -0.03 -0.71 -0.04 0.00 0.41 0.00 0.00 41.25 40.89 3hbb s ASN 72 CO -0.05 -1.84 -0.14 0.00 -1.51 0.00 0.00 177.10 173.57 3hbb s ALA 73 N -3.31 1.39 -0.04 0.60 0.00 0.46 -2.29 121.76 118.58 3hbb s ALA 73 Ca 0.64 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 51.43 3hbb s ALA 73 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3hbb s ALA 73 CO 0.46 0.10 -0.21 0.14 0.00 0.00 0.00 175.76 176.25 3hbb s VAL 74 N -1.99 1.67 -0.16 0.00 -7.23 -0.24 -0.45 120.40 111.99 3hbb s VAL 74 Ca 0.06 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 3hbb s VAL 74 Cb -0.06 -1.41 0.03 0.00 0.56 0.00 0.00 36.38 35.50 3hbb s VAL 74 CO 0.03 0.47 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.46 3hbb s VAL 75 N -0.21 1.61 0.12 1.32 1.01 -0.10 -0.53 120.40 123.61 3hbb s VAL 75 Ca 0.01 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3hbb s VAL 75 Cb -0.11 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3hbb s VAL 75 CO 0.01 0.39 -0.15 0.00 0.00 0.00 0.00 175.10 175.36 3hbb s MET 76 N 1.46 1.01 0.72 2.72 0.23 -0.02 -2.66 119.30 122.76 3hbb s MET 76 Ca 0.04 -1.20 -0.11 0.00 -1.03 0.00 0.00 55.69 53.39 3hbb s MET 76 Cb -0.14 -0.94 0.02 0.00 -1.53 0.00 0.00 34.83 32.24 3hbb s MET 76 CO -0.10 0.19 1.07 0.20 -2.03 0.00 0.00 175.02 174.34 3hbb s GLY 77 N -2.33 1.68 0.26 3.16 0.00 -0.58 -1.95 107.32 107.56 3hbb s GLY 77 Ca 0.07 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.91 3hbb s GLY 77 CO 0.03 0.47 1.83 -0.09 0.00 0.00 0.00 173.10 175.34 3hbb h ARG 78 N -0.81 0.87 -0.04 2.90 2.43 -1.81 -1.84 114.38 116.09 3hbb h ARG 78 Ca -0.44 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.50 3hbb h ARG 78 Cb 1.22 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3hbb h ARG 78 CO 0.55 0.58 -0.78 0.87 -1.51 0.00 0.00 179.97 179.68 3hbb h LYS 79 N 0.90 0.28 -0.89 0.20 1.57 -1.93 -3.08 116.57 113.63 3hbb h LYS 79 Ca 0.42 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3hbb h LYS 79 Cb 0.36 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 3hbb h LYS 79 CO -0.24 0.93 0.58 1.15 -0.57 0.00 0.00 179.45 181.30 3hbb h THR 80 N 0.18 1.12 -0.26 -0.16 2.02 -1.70 -1.36 112.91 112.75 3hbb h THR 80 Ca -0.03 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3hbb h THR 80 Cb 1.36 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3hbb h THR 80 CO 0.12 0.20 0.05 -0.25 0.37 0.00 0.00 175.52 176.01 3hbb h TRP 81 N 1.07 0.37 -0.26 3.16 2.91 -1.37 -2.69 115.95 119.15 3hbb h TRP 81 Ca 0.36 -0.02 -0.14 0.00 1.13 0.00 0.00 58.89 60.22 3hbb h TRP 81 Cb 0.09 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.62 3hbb h TRP 81 CO -0.00 0.35 -0.40 -0.44 -1.03 0.00 0.00 178.44 176.91 3hbb h ASP 82 N 0.37 0.80 0.00 2.65 5.19 -1.24 -2.98 116.42 121.20 3hbb h ASP 82 Ca 0.09 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 3hbb h ASP 82 Cb 0.17 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3hbb h ASP 82 CO -0.00 1.16 0.06 -1.54 -3.12 0.00 0.00 179.24 175.81 3hbb n SER 83 N -4.18 0.00 -4.36 6.45 3.41 -0.78 -3.92 113.62 110.24 3hbb n SER 83 Ca -0.05 0.40 -0.44 0.00 -0.26 0.00 0.00 58.87 58.53 3hbb n SER 83 Cb 0.54 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 3hbb n SER 83 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hbb s ILE 84 N -2.79 5.02 0.75 -1.33 1.01 -1.13 -5.02 121.20 117.72 3hbb s ILE 84 Ca 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 60.65 59.33 3hbb s ILE 84 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.45 3hbb s ILE 84 CO 0.00 -0.58 0.89 -2.65 0.00 0.00 0.00 174.94 172.59 3hbb n PRO 85 N 5.15 0.37 -0.22 2.79 -0.02 -1.25 -4.82 135.00 137.00 3hbb n PRO 85 Ca -0.12 0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.52 3hbb n PRO 85 Cb 0.43 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.80 3hbb n PRO 85 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hbb h PRO 86 N -0.45 -0.06 -0.94 0.52 0.13 -1.94 -2.37 132.00 126.88 3hbb h PRO 86 Ca -0.47 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 3hbb h PRO 86 Cb 1.33 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 3hbb h PRO 86 CO 0.45 -0.04 0.60 1.57 -0.23 0.00 0.00 178.00 180.35 3hbb h LYS 87 N -0.06 0.71 -0.00 0.86 2.10 -2.04 -2.56 116.57 115.58 3hbb h LYS 87 Ca 0.29 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 58.75 3hbb h LYS 87 Cb 0.52 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 3hbb h LYS 87 CO -0.69 0.47 -0.72 0.74 -2.00 0.00 0.00 179.45 177.25 3hbb h PHE 88 N 0.73 0.05 -4.01 0.07 0.04 -1.77 -3.45 116.94 108.60 3hbb h PHE 88 Ca 0.49 -0.02 -0.51 0.00 2.80 0.00 0.00 57.97 60.72 3hbb h PHE 88 Cb 0.77 -0.01 0.07 0.00 2.20 0.00 0.00 35.95 38.98 3hbb h PHE 88 CO -0.00 0.74 0.49 1.03 -0.60 0.00 0.00 178.31 179.97 3hbb s ARG 89 N -3.40 3.71 0.63 1.51 0.52 -0.97 -4.34 118.95 116.61 3hbb s ARG 89 Ca -0.01 1.81 -0.01 0.00 -0.52 0.00 0.00 55.73 57.00 3hbb s ARG 89 Cb 0.12 -2.39 0.06 0.00 0.52 0.00 0.00 34.95 33.26 3hbb s ARG 89 CO 0.78 -0.60 0.88 -2.14 0.02 0.00 0.00 175.30 174.24 3hbb s PRO 90 N -2.72 2.24 -0.04 3.54 0.02 -1.26 -5.03 135.00 131.75 3hbb s PRO 90 Ca 0.64 -0.78 -0.29 0.00 0.02 0.00 0.00 61.00 60.58 3hbb s PRO 90 Cb -0.29 -2.39 -0.07 0.00 0.02 0.00 0.00 34.50 31.76 3hbb s PRO 90 CO 0.36 -1.01 1.97 -0.51 -0.33 0.00 0.00 177.00 177.47 3hbb s LEU 91 N -4.95 4.19 -0.78 -5.54 1.02 -1.26 -4.85 118.68 106.51 3hbb s LEU 91 Ca 0.60 2.40 -0.26 0.00 0.02 0.00 0.00 54.13 56.90 3hbb s LEU 91 Cb -0.09 -3.53 -0.01 0.00 0.02 0.00 0.00 46.19 42.59 3hbb s LEU 91 CO 0.41 -1.24 1.70 -2.84 0.02 0.00 0.00 176.35 174.40 3hbb s PRO 92 N 4.83 2.87 0.00 1.29 0.02 -1.26 -2.58 135.00 140.17 3hbb s PRO 92 Ca 0.88 -0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.84 3hbb s PRO 92 Cb -0.39 -4.67 0.00 0.00 0.02 0.00 0.00 34.50 29.47 3hbb s PRO 92 CO 0.38 -2.70 0.00 0.41 -0.33 0.00 0.00 177.00 174.76 3hbb n GLY 93 N 6.12 0.90 3.07 0.52 0.00 -1.26 -5.08 105.19 109.45 3hbb n GLY 93 Ca 0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 3hbb n GLY 93 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hbb s ARG 94 N 0.00 0.61 -0.14 1.61 3.03 -1.06 -4.43 118.95 118.57 3hbb s ARG 94 Ca 0.00 -0.65 -0.29 0.00 2.03 0.00 0.00 55.73 56.82 3hbb s ARG 94 Cb 0.00 -0.50 -0.04 0.00 -1.03 0.00 0.00 34.95 33.38 3hbb s ARG 94 CO 0.00 0.11 1.70 -1.17 -1.13 0.00 0.00 175.30 174.81 3hbb s LEU 95 N -1.19 4.07 -0.18 -1.89 1.98 -0.97 -4.59 118.68 115.90 3hbb s LEU 95 Ca -0.04 1.95 -0.25 0.00 -2.89 0.00 0.00 54.13 52.90 3hbb s LEU 95 Cb -0.08 -3.53 -0.01 0.00 0.66 0.00 0.00 46.19 43.23 3hbb s LEU 95 CO 0.01 -1.16 0.83 0.20 -1.89 0.00 0.00 176.35 174.33 3hbb s ASN 96 N 4.18 6.94 -0.16 3.68 0.02 -0.82 -1.08 114.94 127.69 3hbb s ASN 96 Ca 0.75 1.15 0.00 0.00 -1.02 0.00 0.00 52.86 53.75 3hbb s ASN 96 Cb -0.30 -2.45 0.00 0.00 0.02 0.00 0.00 41.25 38.52 3hbb s ASN 96 CO 0.30 -0.41 -0.16 -0.69 0.02 0.00 0.00 177.10 176.16 3hbb s VAL 97 N 2.22 2.50 -0.10 1.60 1.01 0.31 -1.14 120.40 126.80 3hbb s VAL 97 Ca 0.38 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3hbb s VAL 97 Cb -0.16 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 3hbb s VAL 97 CO 0.12 0.52 -0.23 -0.69 0.00 0.00 0.00 175.10 174.82 3hbb s VAL 98 N 0.97 2.20 -0.27 2.92 1.01 -0.86 -0.84 120.40 125.53 3hbb s VAL 98 Ca -0.03 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 3hbb s VAL 98 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3hbb s VAL 98 CO -0.03 0.56 0.39 -0.76 0.00 0.00 0.00 175.10 175.25 3hbb s LEU 99 N 0.25 4.04 -0.16 3.92 1.43 -0.82 -0.59 118.68 126.74 3hbb s LEU 99 Ca -0.15 0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 3hbb s LEU 99 Cb -0.17 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.67 3hbb s LEU 99 CO 0.08 -0.19 0.69 -0.55 0.23 0.00 0.00 176.35 176.60 3hbb s SER 100 N 1.63 -0.69 -0.25 2.29 0.15 -0.82 -2.22 113.70 113.79 3hbb s SER 100 Ca 0.16 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.89 3hbb s SER 100 Cb -0.16 1.02 -0.16 0.00 -1.71 0.00 0.00 66.02 65.02 3hbb s SER 100 CO 0.10 -0.41 -0.23 -1.20 1.20 0.00 0.00 173.24 172.70 3hbb n SER 101 N 1.88 2.07 0.06 5.45 7.64 -1.26 -4.07 113.62 125.40 3hbb n SER 101 Ca -0.16 -0.09 -0.06 0.00 1.01 0.00 0.00 58.87 59.57 3hbb n SER 101 Cb 0.56 -0.42 0.12 0.00 -1.01 0.00 0.00 64.21 63.45 3hbb n SER 101 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3hbb h THR 102 N -0.09 1.36 -3.20 0.44 1.35 -2.00 -3.45 112.91 107.31 3hbb h THR 102 Ca -0.56 -1.85 -0.67 0.00 -0.55 0.00 0.00 66.41 62.78 3hbb h THR 102 Cb 1.82 1.88 -0.12 0.00 -1.73 0.00 0.00 68.15 70.00 3hbb h THR 102 CO -0.12 0.56 -0.60 -0.76 -0.25 0.00 0.00 175.52 174.35 3hbb s LEU 103 N -8.10 3.74 0.31 3.87 1.43 -1.26 -5.11 118.68 113.55 3hbb s LEU 103 Ca -0.05 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 3hbb s LEU 103 Cb 0.12 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3hbb s LEU 103 CO 0.81 0.32 0.10 0.42 0.23 0.00 0.00 176.35 178.22 3hbb s THR 104 N -1.05 3.28 0.29 5.49 -4.23 -1.26 -4.68 115.64 113.48 3hbb s THR 104 Ca 0.18 -1.75 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3hbb s THR 104 Cb -0.12 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 71.04 3hbb s THR 104 CO 0.08 -0.26 1.70 0.74 -0.54 0.00 0.00 174.62 176.34 3hbb h THR 105 N 1.66 0.49 0.00 3.99 2.02 -1.96 -2.98 112.91 116.13 3hbb h THR 105 Ca -0.44 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3hbb h THR 105 Cb 1.25 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3hbb h THR 105 CO 0.62 0.07 0.00 1.67 0.37 0.00 0.00 175.52 178.25 3hbb n GLN 106 N -5.04 0.00 -1.01 6.66 -0.06 -1.26 -3.47 117.38 113.20 3hbb n GLN 106 Ca 0.21 0.46 -0.30 0.00 -2.00 0.00 0.00 57.00 55.37 3hbb n GLN 106 Cb 0.62 -1.44 -0.02 0.00 -4.06 0.00 0.00 30.24 25.34 3hbb n GLN 106 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 3hbb n HIS 107 N -1.88 1.86 0.12 3.69 8.25 -1.13 -3.16 115.22 122.97 3hbb n HIS 107 Ca 0.00 -2.47 0.00 0.00 -0.26 0.00 0.00 57.72 54.99 3hbb n HIS 107 Cb 0.00 -2.04 0.00 0.00 1.12 0.00 0.00 29.99 29.07 3hbb n HIS 107 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3hbb n LEU 108 N 4.02 -1.19 -4.08 2.41 0.00 -1.23 -4.44 117.00 112.50 3hbb n LEU 108 Ca 0.60 0.44 -0.38 0.00 0.00 0.00 0.00 56.01 56.66 3hbb n LEU 108 Cb 0.18 1.26 -0.04 0.00 0.00 0.00 0.00 43.42 44.82 3hbb n LEU 108 CO 0.78 -0.41 1.99 0.00 0.00 0.00 0.00 177.39 179.75 3hbb n LEU 109 N -3.15 4.34 0.00 -1.96 -0.00 -1.19 -5.14 117.00 109.90 3hbb n LEU 109 Ca 0.00 -3.33 0.01 0.00 -0.00 0.00 0.00 56.01 52.69 3hbb n LEU 109 Cb 0.00 -1.49 0.06 0.00 -0.00 0.00 0.00 43.42 41.99 3hbb n LEU 109 CO 0.00 -0.51 0.24 -0.90 -0.00 0.00 0.00 177.39 176.22 3hbb n ASP 110 N 9.55 0.00 -0.05 1.45 5.68 -1.26 -5.07 116.55 126.85 3hbb n ASP 110 Ca 0.48 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 3hbb n ASP 110 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3hbb n ASP 110 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3hbb n LEU 120 N -0.83 -0.06 -4.41 -2.12 7.94 -1.26 -5.18 117.00 111.09 3hbb n LEU 120 Ca 0.02 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.47 3hbb n LEU 120 Cb 0.01 -0.03 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 3hbb n LEU 120 CO 0.01 0.00 0.65 -1.00 -1.11 0.00 0.00 177.39 175.95 3hbb s HIS 121 N 0.00 3.08 0.00 1.96 4.02 -1.26 -4.97 115.29 118.12 3hbb s HIS 121 Ca 0.00 -1.16 0.00 0.00 1.02 0.00 0.00 55.06 54.92 3hbb s HIS 121 Cb 0.00 -4.12 0.00 0.00 -1.02 0.00 0.00 32.58 27.44 3hbb s HIS 121 CO 0.00 -1.38 0.03 0.00 1.02 0.00 0.00 174.74 174.41 3hbb n ALA 122 N 6.33 0.00 -0.89 -1.40 0.00 -1.26 -4.79 120.51 118.51 3hbb n ALA 122 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 3hbb n ALA 122 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 3hbb n ALA 122 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hbb n ASP 123 N -0.04 -3.39 -0.42 0.00 -0.08 -1.26 -4.67 116.55 106.69 3hbb n ASP 123 Ca 0.00 0.12 0.02 0.00 -1.51 0.00 0.00 54.79 53.42 3hbb n ASP 123 Cb 0.00 -2.56 0.02 0.00 2.34 0.00 0.00 41.12 40.92 3hbb n ASP 123 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3hbb n SER 124 N 0.25 0.41 -3.77 1.67 7.64 -1.26 -5.06 113.62 113.50 3hbb n SER 124 Ca -0.05 -2.18 -0.13 0.00 1.01 0.00 0.00 58.87 57.52 3hbb n SER 124 Cb 0.33 -0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 63.18 3hbb n SER 124 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3hbb s ILE 125 N -0.50 -0.01 -0.02 0.44 2.07 -1.26 -1.95 121.20 119.98 3hbb s ILE 125 Ca 0.06 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 3hbb s ILE 125 Cb 0.05 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.28 3hbb s ILE 125 CO 0.01 0.01 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.35 3hbb s VAL 126 N 0.29 0.16 0.19 4.00 1.01 -0.29 -4.98 120.40 120.78 3hbb s VAL 126 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3hbb s VAL 126 Cb -0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 36.38 36.08 3hbb s VAL 126 CO -0.01 0.10 0.49 0.00 0.00 0.00 0.00 175.10 175.68 3hbb s ALA 127 N 0.57 3.65 -0.10 5.51 0.00 -1.26 -2.02 121.76 128.10 3hbb s ALA 127 Ca -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3hbb s ALA 127 Cb -0.08 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.72 3hbb s ALA 127 CO -0.01 0.56 -0.10 0.08 0.00 0.00 0.00 175.76 176.29 3hbb s VAL 128 N -1.72 1.14 -1.39 0.00 1.01 0.25 -4.77 120.40 114.93 3hbb s VAL 128 Ca 0.44 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 3hbb s VAL 128 Cb -0.12 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.24 3hbb s VAL 128 CO 0.22 0.38 2.07 -3.20 0.00 0.00 0.00 175.10 174.57 3hbb n ASN 129 N 4.51 4.33 0.00 3.32 2.85 -1.26 -1.95 115.26 127.06 3hbb n ASN 129 Ca -0.17 -2.93 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 3hbb n ASN 129 Cb 0.51 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.91 3hbb n ASN 129 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hbb n GLY 130 N 3.84 -0.71 0.00 8.20 0.00 -1.26 -4.99 105.19 110.26 3hbb n GLY 130 Ca 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3hbb n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbb n GLY 131 N 0.00 1.76 0.34 -0.02 0.00 -1.26 -4.30 105.19 101.71 3hbb n GLY 131 Ca 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 43.95 3hbb n GLY 131 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hbb h LEU 132 N 0.00 0.98 -0.45 0.99 5.85 -1.97 -0.67 115.31 120.04 3hbb h LEU 132 Ca 0.00 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3hbb h LEU 132 Cb 0.00 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3hbb h LEU 132 CO 0.00 0.82 0.14 -0.08 -0.34 0.00 0.00 178.44 178.98 3hbb h GLU 133 N 1.07 0.29 -0.55 1.25 4.81 -1.94 0.50 114.58 120.02 3hbb h GLU 133 Ca 0.26 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3hbb h GLU 133 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3hbb h GLU 133 CO -0.03 0.19 0.19 1.96 -0.73 0.00 0.00 179.01 180.59 3hbb h GLN 134 N 0.30 0.84 -0.59 1.92 7.50 -1.78 -1.43 115.11 121.87 3hbb h GLN 134 Ca 0.21 -0.17 -0.00 0.00 0.50 0.00 0.00 58.65 59.19 3hbb h GLN 134 Cb 0.23 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 27.60 3hbb h GLN 134 CO -0.23 0.76 0.35 0.00 -1.50 0.00 0.00 178.83 178.20 3hbb h ALA 135 N 1.05 0.75 -0.09 3.87 0.00 -0.52 -2.41 119.26 121.91 3hbb h ALA 135 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hbb h ALA 135 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hbb h ALA 135 CO -0.01 0.23 -0.16 -0.07 0.00 0.00 0.00 179.25 179.24 3hbb h LEU 136 N 0.79 0.13 0.02 0.00 3.38 0.35 -2.27 115.31 117.71 3hbb h LEU 136 Ca 0.21 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3hbb h LEU 136 Cb -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hbb h LEU 136 CO -0.04 0.31 -0.01 1.56 0.09 0.00 0.00 178.44 180.35 3hbb h GLN 137 N 0.13 -0.02 -0.87 1.13 4.20 -0.92 -2.06 115.11 116.69 3hbb h GLN 137 Ca 0.03 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.80 3hbb h GLN 137 Cb 0.37 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 3hbb h GLN 137 CO 0.02 0.28 0.57 1.25 -0.67 0.00 0.00 178.83 180.28 3hbb h LEU 138 N -0.32 0.87 -0.45 1.46 5.85 -1.19 -2.47 115.31 119.07 3hbb h LEU 138 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hbb h LEU 138 Cb 0.31 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hbb h LEU 138 CO 0.00 0.57 0.00 -0.07 -0.34 0.00 0.00 178.44 178.60 3hbb h LEU 139 N 1.00 0.00 0.00 2.25 3.38 -1.40 -2.79 115.31 117.74 3hbb h LEU 139 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3hbb h LEU 139 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hbb h LEU 139 CO -0.13 0.00 -0.44 0.00 0.09 0.00 0.00 178.44 177.96 3hbb n ALA 140 N -2.05 2.78 -1.37 1.53 0.00 -0.94 -3.86 120.51 116.60 3hbb n ALA 140 Ca 0.03 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 3hbb n ALA 140 Cb 0.44 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.72 3hbb n ALA 140 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hbb s SER 141 N -4.20 4.49 0.59 0.00 1.04 -1.06 -4.67 113.70 109.90 3hbb s SER 141 Ca 0.08 2.17 0.30 0.00 0.48 0.00 0.00 55.95 58.98 3hbb s SER 141 Cb 0.13 -2.57 1.80 0.00 0.10 0.00 0.00 66.02 65.49 3hbb s SER 141 CO 0.68 -2.05 2.22 1.55 0.98 0.00 0.00 173.24 176.62 3hbb h PRO 142 N -0.32 0.00 0.00 4.02 0.13 -1.92 -0.75 132.00 133.17 3hbb h PRO 142 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hbb h PRO 142 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3hbb h PRO 142 CO 0.51 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.37 3hbb n ASN 143 N -3.80 0.47 0.00 1.44 4.13 -1.26 -4.15 115.26 112.10 3hbb n ASN 143 Ca -0.02 0.63 0.00 0.00 1.68 0.00 0.00 54.58 56.87 3hbb n ASN 143 Cb 0.15 -0.72 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 3hbb n ASN 143 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3hbb n TYR 144 N -2.03 0.00 -0.12 3.10 4.01 -0.31 -4.77 117.16 117.05 3hbb n TYR 144 Ca 0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 3hbb n TYR 144 Cb 0.19 0.00 0.20 0.00 -0.31 0.00 0.00 39.34 39.42 3hbb n TYR 144 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3hbb h THR 145 N 0.00 1.22 -0.52 -0.72 1.35 -1.62 0.74 112.91 113.36 3hbb h THR 145 Ca 0.00 -0.81 0.10 0.00 -0.55 0.00 0.00 66.41 65.15 3hbb h THR 145 Cb 0.88 0.70 -0.10 0.00 -1.73 0.00 0.00 68.15 67.91 3hbb h THR 145 CO 0.00 0.30 -0.15 -0.65 -0.25 0.00 0.00 175.52 174.77 3hbb h PRO 146 N 0.77 -0.03 0.03 4.72 0.11 -1.88 -3.37 132.00 132.36 3hbb h PRO 146 Ca 0.17 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.94 3hbb h PRO 146 Cb 0.30 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.38 3hbb h PRO 146 CO 0.00 -0.02 -1.88 -1.13 -0.21 0.00 0.00 178.00 174.77 3hbb n SER 147 N -5.38 1.97 -4.59 -2.05 3.41 -0.54 -4.85 113.62 101.58 3hbb n SER 147 Ca 0.05 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 3hbb n SER 147 Cb 0.29 -0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 3hbb n SER 147 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hbb s ILE 148 N -2.46 3.95 -0.11 -1.33 -1.09 0.25 -2.20 121.20 118.21 3hbb s ILE 148 Ca -0.30 0.88 -0.10 0.00 -2.23 0.00 0.00 60.65 58.90 3hbb s ILE 148 Cb 0.08 -4.54 -0.09 0.00 -1.58 0.00 0.00 42.46 36.34 3hbb s ILE 148 CO 0.62 -1.15 0.28 -0.08 -1.23 0.00 0.00 174.94 173.38 3hbb h GLU 149 N 10.16 -0.03 -4.33 2.79 4.81 -0.93 -3.43 114.58 123.61 3hbb h GLU 149 Ca -0.26 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.50 3hbb h GLU 149 Cb 1.08 0.01 -0.34 0.00 0.63 0.00 0.00 28.75 30.12 3hbb h GLU 149 CO 1.16 0.29 -0.80 0.99 -0.73 0.00 0.00 179.01 179.92 3hbb s THR 150 N -1.88 0.91 -0.02 0.32 2.01 -1.26 -4.97 115.64 110.74 3hbb s THR 150 Ca -0.06 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 3hbb s THR 150 Cb -0.01 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 3hbb s THR 150 CO 0.23 0.31 0.48 -0.69 -0.69 0.00 0.00 174.62 174.25 3hbb s VAL 151 N 0.82 5.01 -0.10 3.82 1.01 -1.26 -0.40 120.40 129.30 3hbb s VAL 151 Ca -0.12 0.98 0.02 0.00 0.00 0.00 0.00 61.98 62.86 3hbb s VAL 151 Cb -0.15 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.44 3hbb s VAL 151 CO 0.02 0.49 -0.16 -0.31 0.00 0.00 0.00 175.10 175.14 3hbb s TYR 152 N -0.51 1.95 -0.69 5.22 2.02 0.40 -1.23 117.35 124.52 3hbb s TYR 152 Ca 0.26 -0.88 -0.21 0.00 -0.37 0.00 0.00 57.07 55.87 3hbb s TYR 152 Cb -0.17 -1.40 0.09 0.00 -0.40 0.00 0.00 41.96 40.09 3hbb s TYR 152 CO 0.14 -0.44 0.91 0.00 -1.57 0.00 0.00 175.55 174.58 3hbb n ILE 154 N 5.70 1.13 -3.86 0.00 -0.00 -1.09 -2.48 119.36 118.75 3hbb n ILE 154 Ca -0.01 -0.76 -0.16 0.00 -0.00 0.00 0.00 62.75 61.83 3hbb n ILE 154 Cb 0.45 -0.49 -0.16 0.00 -0.00 0.00 0.00 39.64 39.44 3hbb n ILE 154 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3hbb s GLY 155 N -5.15 0.16 0.00 3.28 0.00 -1.23 -4.79 107.32 99.59 3hbb s GLY 155 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.84 3hbb s GLY 155 CO 0.84 0.56 0.00 0.61 0.00 0.00 0.00 173.10 175.11 3hbb n GLY 156 N 4.02 3.44 0.17 0.20 0.00 -1.26 -1.53 105.19 110.24 3hbb n GLY 156 Ca -0.26 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 3hbb n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbb h GLY 157 N 0.00 0.45 2.00 -0.02 0.00 -1.98 1.17 103.07 104.69 3hbb h GLY 157 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 3hbb h GLY 157 CO 0.00 -0.07 -0.24 1.48 0.00 0.00 0.00 176.54 177.71 3hbb h SER 158 N 0.16 0.00 0.16 0.19 4.64 -1.96 0.55 113.55 117.29 3hbb h SER 158 Ca 0.20 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.26 3hbb h SER 158 Cb 0.27 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3hbb h SER 158 CO -0.30 0.24 -1.26 0.58 -0.87 0.00 0.00 176.83 175.22 3hbb h VAL 159 N 0.00 1.23 -0.49 0.95 2.07 -1.47 -2.46 116.25 116.08 3hbb h VAL 159 Ca -0.00 -2.52 0.03 0.00 0.82 0.00 0.00 66.70 65.03 3hbb h VAL 159 Cb 0.60 2.95 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 3hbb h VAL 159 CO 0.03 0.75 0.28 1.88 0.02 0.00 0.00 177.57 180.53 3hbb h TYR 160 N -0.20 0.52 -0.75 1.57 0.05 0.14 0.78 116.97 119.09 3hbb h TYR 160 Ca -0.24 0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.72 3hbb h TYR 160 Cb 1.84 -0.16 -0.11 0.00 1.01 0.00 0.00 36.73 39.30 3hbb h TYR 160 CO 0.15 0.29 0.19 0.00 -1.05 0.00 0.00 178.16 177.73 3hbb h ALA 161 N 1.23 0.98 -0.46 3.88 0.00 -0.92 -0.10 119.26 123.87 3hbb h ALA 161 Ca 0.20 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 3hbb h ALA 161 Cb 0.05 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hbb h ALA 161 CO -0.11 -0.34 -0.19 1.49 0.00 0.00 0.00 179.25 180.10 3hbb h GLU 162 N 0.28 0.92 0.00 0.00 4.81 -0.89 -3.15 114.58 116.55 3hbb h GLU 162 Ca 0.42 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3hbb h GLU 162 Cb 0.73 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 3hbb h GLU 162 CO -0.51 1.03 -0.12 0.00 -0.73 0.00 0.00 179.01 178.68 3hbb h ALA 163 N 0.96 1.43 -0.51 2.92 0.00 0.93 -2.79 119.26 122.21 3hbb h ALA 163 Ca 0.11 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3hbb h ALA 163 Cb 0.75 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 3hbb h ALA 163 CO 0.06 0.15 0.11 1.28 0.00 0.00 0.00 179.25 180.85 3hbb n LEU 164 N -3.86 4.97 -3.91 0.00 7.99 -0.58 -2.88 117.00 118.74 3hbb n LEU 164 Ca -0.02 -3.28 -0.10 0.00 -0.01 0.00 0.00 56.01 52.59 3hbb n LEU 164 Cb 0.22 -0.66 -0.11 0.00 -0.11 0.00 0.00 43.42 42.75 3hbb n LEU 164 CO 0.31 0.87 -0.28 0.00 -1.51 0.00 0.00 177.39 176.78 3hbb s ARG 165 N -3.00 0.31 0.42 3.23 1.70 -1.05 -4.87 118.95 115.69 3hbb s ARG 165 Ca 0.49 -0.37 -0.24 0.00 -0.47 0.00 0.00 55.73 55.13 3hbb s ARG 165 Cb 0.40 0.12 -0.11 0.00 -0.57 0.00 0.00 34.95 34.80 3hbb s ARG 165 CO 0.09 -0.06 0.95 -2.30 -1.08 0.00 0.00 175.30 172.90 3hbb n PRO 166 N 1.89 1.24 0.00 3.89 -0.02 -1.26 -2.13 135.00 138.60 3hbb n PRO 166 Ca -0.21 0.44 0.14 0.00 -2.02 0.00 0.00 63.50 61.85 3hbb n PRO 166 Cb 0.56 -1.98 0.48 0.00 -0.02 0.00 0.00 33.50 32.54 3hbb n PRO 166 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hbb n PRO 167 N 0.16 1.71 -0.14 0.52 -0.04 -1.26 -4.87 135.00 131.08 3hbb n PRO 167 Ca 0.10 -1.05 -0.10 0.00 -0.04 0.00 0.00 63.50 62.41 3hbb n PRO 167 Cb 0.39 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3hbb n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hbb h VAL 169 N 0.52 0.42 0.00 0.00 3.04 -1.37 -0.12 116.25 118.74 3hbb h VAL 169 Ca 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 3hbb h VAL 169 Cb 0.48 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 3hbb h VAL 169 CO 0.02 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.99 3hbb n HIS 170 N -3.69 0.04 0.89 3.17 8.25 -1.20 -2.68 115.22 120.01 3hbb n HIS 170 Ca -0.01 0.01 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 3hbb n HIS 170 Cb 0.19 -0.52 -0.11 0.00 1.12 0.00 0.00 29.99 30.67 3hbb n HIS 170 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hbb n LEU 171 N -1.54 0.89 -4.63 2.41 7.99 -0.06 -4.93 117.00 117.13 3hbb n LEU 171 Ca 0.06 -0.49 -0.43 0.00 -0.01 0.00 0.00 56.01 55.14 3hbb n LEU 171 Cb 0.30 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.58 3hbb n LEU 171 CO 0.24 0.22 1.43 -0.22 -1.51 0.00 0.00 177.39 177.55 3hbb s LEU 172 N -2.93 3.89 -0.04 2.23 2.96 -1.09 -2.38 118.68 121.32 3hbb s LEU 172 Ca 0.07 1.72 0.08 0.00 -0.22 0.00 0.00 54.13 55.77 3hbb s LEU 172 Cb 0.14 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 43.07 3hbb s LEU 172 CO 0.79 -1.31 0.67 1.56 -1.32 0.00 0.00 176.35 176.74 3hbb h GLN 173 N 11.10 0.06 -2.41 1.98 4.20 -1.02 -3.44 115.11 125.59 3hbb h GLN 173 Ca -0.35 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.19 3hbb h GLN 173 Cb 1.17 0.04 -0.17 0.00 0.30 0.00 0.00 27.48 28.82 3hbb h GLN 173 CO 0.99 0.70 0.15 0.00 -0.67 0.00 0.00 178.83 180.00 3hbb s ALA 174 N -2.60 -1.62 -0.14 3.87 0.00 -1.26 -4.23 121.76 115.79 3hbb s ALA 174 Ca -0.08 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3hbb s ALA 174 Cb 0.08 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.50 3hbb s ALA 174 CO 0.82 -0.48 -0.16 0.42 0.00 0.00 0.00 175.76 176.36 3hbb s ILE 175 N -2.02 1.62 -0.37 0.00 1.01 0.11 -0.81 121.20 120.73 3hbb s ILE 175 Ca -0.07 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 3hbb s ILE 175 Cb -0.01 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3hbb s ILE 175 CO 0.02 0.47 0.24 -0.31 0.00 0.00 0.00 174.94 175.36 3hbb s TYR 176 N 1.25 3.23 -0.19 3.97 2.02 0.14 0.01 117.35 127.78 3hbb s TYR 176 Ca 0.00 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3hbb s TYR 176 Cb -0.14 -2.49 0.02 0.00 -0.40 0.00 0.00 41.96 38.95 3hbb s TYR 176 CO -0.07 -0.52 -0.19 0.50 -1.57 0.00 0.00 175.55 173.70 3hbb s ARG 177 N 1.65 2.96 -0.11 -0.62 3.52 -0.40 -1.66 118.95 124.29 3hbb s ARG 177 Ca 0.05 -0.85 -0.12 0.00 -0.13 0.00 0.00 55.73 54.67 3hbb s ARG 177 Cb -0.18 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 30.56 3hbb s ARG 177 CO 0.09 -0.23 0.27 0.99 -0.81 0.00 0.00 175.30 175.61 3hbb s THR 178 N 1.28 5.29 -0.17 4.11 2.01 -0.90 -1.35 115.64 125.93 3hbb s THR 178 Ca 0.04 0.52 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 3hbb s THR 178 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3hbb s THR 178 CO -0.12 0.50 0.07 -0.89 -0.69 0.00 0.00 174.62 173.48 3hbb s THR 179 N -0.29 4.87 0.00 -0.82 2.01 -0.32 -1.04 115.64 120.04 3hbb s THR 179 Ca 0.17 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3hbb s THR 179 Cb -0.14 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3hbb s THR 179 CO 0.06 0.49 0.00 0.00 -0.69 0.00 0.00 174.62 174.48 3hbb n ILE 180 N 3.23 0.00 0.00 1.82 0.13 1.32 -3.51 119.36 122.35 3hbb n ILE 180 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.48 3hbb n ILE 180 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.33 3hbb n ILE 180 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 3hbb n ARG 181 N 0.00 0.00 0.00 9.51 5.12 -1.26 -4.18 116.66 125.85 3hbb n ARG 181 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hbb n ARG 181 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3hbb n ARG 181 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hbb n ALA 182 N -0.82 0.00 -2.40 7.54 0.00 -1.26 -4.47 120.51 119.09 3hbb n ALA 182 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hbb n ALA 182 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hbb n ALA 182 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hbb n SER 183 N 0.00 -2.93 -3.29 0.00 2.88 -1.26 -5.05 113.62 103.96 3hbb n SER 183 Ca 0.00 1.00 -0.12 0.00 -1.33 0.00 0.00 58.87 58.42 3hbb n SER 183 Cb 0.00 -1.61 0.06 0.00 -0.75 0.00 0.00 64.21 61.91 3hbb n SER 183 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3hbb n GLU 184 N 2.19 0.21 -0.04 -1.46 0.00 -1.26 -5.07 120.64 115.21 3hbb n GLU 184 Ca -0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 57.16 55.72 3hbb n GLU 184 Cb 0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 31.44 31.05 3hbb n GLU 184 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hbb n SER 185 N -2.97 3.38 -3.13 -1.84 2.88 -1.26 -4.89 113.62 105.80 3hbb n SER 185 Ca 0.08 -0.04 -0.05 0.00 -1.33 0.00 0.00 58.87 57.53 3hbb n SER 185 Cb 0.30 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.69 3hbb n SER 185 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3hbb n SER 186 N -2.69 0.10 -4.25 -3.46 2.88 -1.26 -4.75 113.62 100.19 3hbb n SER 186 Ca -0.14 -1.87 -0.33 0.00 -1.33 0.00 0.00 58.87 55.20 3hbb n SER 186 Cb 0.66 -0.44 -0.16 0.00 -0.75 0.00 0.00 64.21 63.52 3hbb n SER 186 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hbb n SER 188 N 3.99 2.53 -3.93 0.00 3.41 -1.21 -4.94 113.62 113.47 3hbb n SER 188 Ca -0.19 -1.74 -0.22 0.00 -0.26 0.00 0.00 58.87 56.46 3hbb n SER 188 Cb 0.52 -0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 64.19 3hbb n SER 188 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hbb s VAL 189 N -1.07 0.74 0.34 -3.33 1.01 -1.23 -4.94 120.40 111.93 3hbb s VAL 189 Ca 0.21 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3hbb s VAL 189 Cb 0.13 -0.73 -0.07 0.00 0.00 0.00 0.00 36.38 35.71 3hbb s VAL 189 CO 0.18 0.27 0.03 -0.36 0.00 0.00 0.00 175.10 175.22 3hbb s PHE 190 N 0.91 2.12 -0.19 5.22 0.40 -1.26 -2.70 117.98 122.49 3hbb s PHE 190 Ca -0.11 -0.85 -0.09 0.00 -0.60 0.00 0.00 56.93 55.28 3hbb s PHE 190 Cb -0.15 -1.41 0.07 0.00 0.51 0.00 0.00 43.02 42.05 3hbb s PHE 190 CO 0.01 0.17 0.44 0.12 0.70 0.00 0.00 175.22 176.65 3hbb s PHE 191 N -3.10 -0.71 -0.02 0.36 5.36 0.45 -4.85 117.98 115.47 3hbb s PHE 191 Ca 0.35 1.45 -0.00 0.00 -0.96 0.00 0.00 56.93 57.77 3hbb s PHE 191 Cb 0.09 0.32 0.03 0.00 -0.34 0.00 0.00 43.02 43.11 3hbb s PHE 191 CO 0.16 -0.41 0.03 1.03 -1.46 0.00 0.00 175.22 174.57 3hbb s ARG 192 N 1.80 -0.03 -0.27 10.12 0.52 -1.26 -4.48 118.95 125.35 3hbb s ARG 192 Ca -0.07 0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 55.02 3hbb s ARG 192 Cb -0.09 -0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.17 3hbb s ARG 192 CO -0.13 -0.15 1.15 0.08 0.02 0.00 0.00 175.30 176.26 3hbb s VAL 193 N 0.94 4.43 0.19 3.52 1.01 -1.26 -4.98 120.40 124.25 3hbb s VAL 193 Ca -0.08 1.68 -0.32 0.00 0.00 0.00 0.00 61.98 63.26 3hbb s VAL 193 Cb -0.11 -4.27 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 3hbb s VAL 193 CO -0.03 -0.35 1.71 -2.65 0.00 0.00 0.00 175.10 173.78 3hbb n PRO 194 N 6.79 2.66 -1.74 2.72 -0.02 -1.26 -4.96 135.00 139.19 3hbb n PRO 194 Ca 0.13 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.23 3hbb n PRO 194 Cb 0.46 -2.80 0.06 0.00 -0.02 0.00 0.00 33.50 31.20 3hbb n PRO 194 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hbb s GLU 195 N 1.30 2.66 0.15 -0.52 2.02 -1.26 -4.66 118.70 118.38 3hbb s GLU 195 Ca 0.77 1.62 -0.31 0.00 0.02 0.00 0.00 54.97 57.07 3hbb s GLU 195 Cb -0.54 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 31.69 3hbb s GLU 195 CO 0.34 -1.41 1.48 0.45 0.02 0.00 0.00 175.26 176.14 3hbb s SER 196 N -2.12 6.70 0.00 -0.19 0.15 -1.26 -2.64 113.70 114.34 3hbb s SER 196 Ca 0.72 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.86 3hbb s SER 196 Cb -0.26 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 3hbb s SER 196 CO 0.40 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3hbb n GLY 197 N 3.56 1.29 3.90 9.45 0.00 -1.26 -5.06 105.19 117.08 3hbb n GLY 197 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3hbb n GLY 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hbb s THR 198 N -2.40 4.37 0.33 2.61 -4.23 -1.08 -4.99 115.64 110.25 3hbb s THR 198 Ca 0.00 0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.91 3hbb s THR 198 Cb 0.00 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 70.40 3hbb s THR 198 CO 0.00 -0.81 1.94 -0.33 -0.54 0.00 0.00 174.62 174.88 3hbb h GLU 199 N -0.13 0.90 0.00 3.99 5.08 -1.97 -2.58 114.58 119.87 3hbb h GLU 199 Ca -0.45 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3hbb h GLU 199 Cb 1.22 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3hbb h GLU 199 CO 0.62 0.60 -0.12 0.00 -1.00 0.00 0.00 179.01 179.11 3hbb h ALA 200 N 1.55 1.16 0.00 3.43 0.00 -1.94 -3.04 119.26 120.42 3hbb h ALA 200 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hbb h ALA 200 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hbb h ALA 200 CO -0.12 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3hbb n ALA 201 N -2.22 2.41 -4.12 0.00 0.00 -0.97 -4.83 120.51 110.77 3hbb n ALA 201 Ca -0.01 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 3hbb n ALA 201 Cb 0.27 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 3hbb n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hbb n ALA 202 N -1.35 -1.21 0.00 0.00 0.00 -1.15 -0.73 120.51 116.07 3hbb n ALA 202 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hbb n ALA 202 Cb 0.27 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.60 3hbb n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbb n GLY 203 N -1.26 1.54 3.81 0.00 0.00 -1.26 -5.04 105.19 102.98 3hbb n GLY 203 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3hbb n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbb s ILE 204 N -2.51 4.41 -0.35 -0.61 1.01 0.09 -5.02 121.20 118.23 3hbb s ILE 204 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3hbb s ILE 204 Cb 0.00 -3.80 0.09 0.00 0.01 0.00 0.00 42.46 38.76 3hbb s ILE 204 CO 0.00 -0.03 0.07 -1.61 0.00 0.00 0.00 174.94 173.38 3hbb s GLU 205 N -2.51 1.94 0.01 2.79 2.02 -1.26 -4.51 118.70 117.19 3hbb s GLU 205 Ca 0.53 -1.67 -0.30 0.00 0.02 0.00 0.00 54.97 53.54 3hbb s GLU 205 Cb -0.14 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 3hbb s GLU 205 CO 0.19 -0.88 1.02 -1.58 0.02 0.00 0.00 175.26 174.03 3hbb s TRP 206 N 1.08 3.62 0.15 1.61 0.52 -1.26 -1.34 118.94 123.32 3hbb s TRP 206 Ca 0.04 1.63 0.10 0.00 0.02 0.00 0.00 56.10 57.89 3hbb s TRP 206 Cb -0.21 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 28.90 3hbb s TRP 206 CO -0.05 -0.23 -0.20 -0.65 0.02 0.00 0.00 176.95 175.85 3hbb s GLN 207 N 1.00 1.70 -0.36 4.98 -0.21 -0.39 -4.74 119.66 121.64 3hbb s GLN 207 Ca 0.53 -1.31 -0.26 0.00 0.02 0.00 0.00 55.36 54.35 3hbb s GLN 207 Cb -0.23 -2.02 0.01 0.00 1.00 0.00 0.00 33.01 31.78 3hbb s GLN 207 CO 0.28 0.45 0.92 0.50 -2.12 0.00 0.00 175.29 175.32 3hbb s ARG 208 N -2.38 3.86 -0.09 2.91 3.52 -1.26 -1.53 118.95 123.98 3hbb s ARG 208 Ca 0.19 0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 56.32 3hbb s ARG 208 Cb -0.10 -3.79 -0.27 0.00 -1.56 0.00 0.00 34.95 29.23 3hbb s ARG 208 CO 0.10 -0.92 0.47 1.49 -0.81 0.00 0.00 175.30 175.63 3hbb h GLU 209 N 8.42 0.28 -2.95 5.12 4.81 -1.11 -3.48 114.58 125.67 3hbb h GLU 209 Ca -0.23 -0.47 -0.13 0.00 -0.13 0.00 0.00 59.36 58.39 3hbb h GLU 209 Cb 1.08 0.18 -0.23 0.00 0.63 0.00 0.00 28.75 30.40 3hbb h GLU 209 CO 0.97 1.19 -0.30 0.95 -0.73 0.00 0.00 179.01 181.09 3hbb s THR 210 N -2.57 0.02 -0.02 0.32 -4.23 -1.21 -4.99 115.64 102.96 3hbb s THR 210 Ca -0.19 -0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.19 3hbb s THR 210 Cb 0.06 -0.53 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 3hbb s THR 210 CO 0.79 -0.09 -0.13 -0.51 -0.54 0.00 0.00 174.62 174.15 3hbb s ILE 211 N -0.33 1.07 1.13 2.99 2.07 -1.26 -1.14 121.20 125.73 3hbb s ILE 211 Ca -0.05 -0.55 -0.18 0.00 -1.41 0.00 0.00 60.65 58.46 3hbb s ILE 211 Cb -0.03 -0.91 0.26 0.00 0.13 0.00 0.00 42.46 41.90 3hbb s ILE 211 CO 0.02 0.31 1.15 -0.94 -1.91 0.00 0.00 174.94 173.57 3hbb s SER 212 N -0.11 1.54 1.36 4.50 1.04 0.56 -5.00 113.70 117.60 3hbb s SER 212 Ca 0.01 0.60 -0.22 0.00 0.48 0.00 0.00 55.95 56.82 3hbb s SER 212 Cb -0.07 -0.83 0.34 0.00 0.10 0.00 0.00 66.02 65.56 3hbb s SER 212 CO 0.00 -3.74 0.98 -0.70 0.98 0.00 0.00 173.24 170.77 3hbb s GLU 213 N -5.48 -2.46 -0.16 4.02 -6.30 -1.26 -4.87 118.70 102.19 3hbb s GLU 213 Ca 0.71 0.08 -0.01 0.00 -2.50 0.00 0.00 54.97 53.25 3hbb s GLU 213 Cb -0.09 -1.44 -0.01 0.00 0.00 0.00 0.00 34.13 32.59 3hbb s GLU 213 CO 0.55 -4.56 -0.11 -2.00 0.02 0.00 0.00 175.26 169.16 3hbb s GLU 214 N -5.16 3.34 0.11 4.30 2.56 -1.26 -4.65 118.70 117.94 3hbb s GLU 214 Ca 0.69 -0.68 -0.26 0.00 0.00 0.00 0.00 54.97 54.72 3hbb s GLU 214 Cb -0.12 -2.75 0.07 0.00 2.00 0.00 0.00 34.13 33.33 3hbb s GLU 214 CO 0.57 0.03 1.00 -1.17 -0.56 0.00 0.00 175.26 175.14 3hbb s LEU 215 N 0.82 -0.18 -0.11 2.70 2.96 -1.13 -5.04 118.68 118.70 3hbb s LEU 215 Ca -0.04 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 3hbb s LEU 215 Cb -0.15 2.04 -0.01 0.00 0.50 0.00 0.00 46.19 48.57 3hbb s LEU 215 CO 0.01 -0.79 -0.17 0.28 -1.32 0.00 0.00 176.35 174.35 3hbb s THR 216 N -3.15 2.66 -0.32 3.68 -1.32 -1.26 0.33 115.64 116.24 3hbb s THR 216 Ca 0.12 -0.81 -0.08 0.00 -1.21 0.00 0.00 61.69 59.71 3hbb s THR 216 Cb -0.01 -2.08 0.02 0.00 -1.51 0.00 0.00 72.50 68.93 3hbb s THR 216 CO 0.00 0.54 0.11 -0.94 -2.21 0.00 0.00 174.62 172.13 3hbb s SER 217 N 0.29 5.31 0.00 8.08 1.04 -1.26 -4.95 113.70 122.21 3hbb s SER 217 Ca -0.13 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3hbb s SER 217 Cb -0.16 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.05 3hbb s SER 217 CO 0.07 -0.26 0.00 0.00 0.98 0.00 0.00 173.24 174.02 3hbb n ALA 218 N 4.88 0.00 0.00 5.32 0.00 -1.26 -4.86 120.51 124.59 3hbb n ALA 218 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hbb n ALA 218 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3hbb n ALA 218 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hbb n ASN 219 N 0.00 0.00 0.00 0.00 0.23 -1.26 -4.58 115.26 109.64 3hbb n ASN 219 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3hbb n ASN 219 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3hbb n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hbb n GLY 220 N 0.00 0.32 0.34 4.83 0.00 -1.26 -4.91 105.19 104.51 3hbb n GLY 220 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3hbb n GLY 220 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hbb n ASN 221 N 0.00 0.49 -3.93 1.61 5.15 -1.26 -5.03 115.26 112.29 3hbb n ASN 221 Ca 0.00 -2.06 -0.30 0.00 -0.60 0.00 0.00 54.58 51.62 3hbb n ASN 221 Cb 0.00 -0.21 -0.01 0.00 -0.53 0.00 0.00 39.78 39.04 3hbb n ASN 221 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hbb n GLU 222 N -0.27 -2.18 -3.40 1.20 -0.58 -1.26 -4.95 120.64 109.19 3hbb n GLU 222 Ca 0.03 0.35 -0.39 0.00 -0.42 0.00 0.00 57.16 56.73 3hbb n GLU 222 Cb 0.65 -4.11 -0.09 0.00 -0.57 0.00 0.00 31.44 27.32 3hbb n GLU 222 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3hbb s THR 223 N -3.82 5.19 0.20 2.62 2.01 -1.26 -4.97 115.64 115.60 3hbb s THR 223 Ca 0.18 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 3hbb s THR 223 Cb -0.08 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 3hbb s THR 223 CO 0.90 0.19 0.96 -0.54 -0.69 0.00 0.00 174.62 175.44 3hbb s LYS 224 N 1.81 4.79 0.18 4.92 3.01 -1.26 -4.59 119.74 128.60 3hbb s LYS 224 Ca 0.16 1.49 0.04 0.00 -1.01 0.00 0.00 55.97 56.66 3hbb s LYS 224 Cb -0.15 -3.31 -0.05 0.00 -1.01 0.00 0.00 37.83 33.31 3hbb s LYS 224 CO 0.09 0.40 -0.07 1.52 0.51 0.00 0.00 175.35 177.79 3hbb s TYR 225 N -0.75 1.41 0.05 3.18 -0.85 0.15 -4.24 117.35 116.30 3hbb s TYR 225 Ca 0.43 -0.79 -0.23 0.00 -0.52 0.00 0.00 57.07 55.96 3hbb s TYR 225 Cb -0.25 -0.75 0.05 0.00 0.38 0.00 0.00 41.96 41.39 3hbb s TYR 225 CO 0.32 0.07 0.53 1.52 -1.52 0.00 0.00 175.55 176.47 3hbb s TYR 226 N -3.32 -0.44 0.10 -3.49 1.13 -1.23 -2.82 117.35 107.28 3hbb s TYR 226 Ca 0.21 0.49 0.05 0.00 -1.41 0.00 0.00 57.07 56.41 3hbb s TYR 226 Cb 0.03 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 3hbb s TYR 226 CO 0.04 -0.66 0.02 -0.06 -2.51 0.00 0.00 175.55 172.39 3hbb s PHE 227 N -2.48 3.03 0.01 -3.49 0.08 -1.26 -1.18 117.98 112.68 3hbb s PHE 227 Ca -0.05 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 3hbb s PHE 227 Cb -0.01 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.92 3hbb s PHE 227 CO -0.02 0.49 0.23 -1.83 -0.10 0.00 0.00 175.22 173.99 3hbb s GLU 228 N -2.44 0.62 -0.21 0.44 -1.05 -0.46 -0.32 118.70 115.29 3hbb s GLU 228 Ca 0.27 -0.36 -0.03 0.00 -0.15 0.00 0.00 54.97 54.70 3hbb s GLU 228 Cb -0.11 0.27 -0.00 0.00 -0.44 0.00 0.00 34.13 33.84 3hbb s GLU 228 CO 0.19 -0.17 -0.07 0.21 0.95 0.00 0.00 175.26 176.37 3hbb s LYS 229 N -1.64 3.32 -0.16 -4.83 2.20 -0.29 -1.27 119.74 117.06 3hbb s LYS 229 Ca -0.12 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 54.79 3hbb s LYS 229 Cb -0.05 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 3hbb s LYS 229 CO 0.01 -0.17 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.31 3hbb s LEU 230 N 1.37 3.38 0.07 5.43 1.43 0.10 -0.42 118.68 130.04 3hbb s LEU 230 Ca 0.05 -0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 3hbb s LEU 230 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3hbb s LEU 230 CO -0.04 0.17 -0.24 0.27 0.23 0.00 0.00 176.35 176.73 3hbb s ILE 231 N 0.37 1.98 0.53 -0.59 -4.36 -0.58 0.07 121.20 118.62 3hbb s ILE 231 Ca -0.02 -1.43 -0.19 0.00 -0.26 0.00 0.00 60.65 58.75 3hbb s ILE 231 Cb -0.14 -1.73 -0.06 0.00 1.25 0.00 0.00 42.46 41.78 3hbb s ILE 231 CO 0.02 0.22 1.06 -2.16 0.24 0.00 0.00 174.94 174.32 3hbb s PRO 232 N -1.46 3.57 -0.19 0.37 0.04 -1.26 -1.27 135.00 134.81 3hbb s PRO 232 Ca 0.10 1.36 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 3hbb s PRO 232 Cb -0.10 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3hbb s PRO 232 CO 0.03 -0.63 0.78 0.50 0.04 0.00 0.00 177.00 177.72 3hbb s ARG 233 N -3.51 4.26 -1.23 4.56 3.52 -0.45 -4.88 118.95 121.23 3hbb s ARG 233 Ca 0.67 0.91 -0.14 0.00 -0.13 0.00 0.00 55.73 57.04 3hbb s ARG 233 Cb -0.17 -3.58 0.16 0.00 -1.56 0.00 0.00 34.95 29.79 3hbb s ARG 233 CO 0.26 -0.33 1.52 -1.71 -0.81 0.00 0.00 175.30 174.24 3hbb n ASN 234 N 5.28 5.17 -0.24 -2.12 2.85 -1.26 -4.76 115.26 120.18 3hbb n ASN 234 Ca 0.03 -2.99 0.05 0.00 -0.11 0.00 0.00 54.58 51.56 3hbb n ASN 234 Cb 0.49 -1.58 0.17 0.00 1.24 0.00 0.00 39.78 40.10 3hbb n ASN 234 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 3hbb h ARG 235 N 7.01 0.23 -0.44 1.20 2.47 -1.98 -2.08 114.38 120.79 3hbb h ARG 235 Ca 0.34 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.04 3hbb h ARG 235 Cb 0.84 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 3hbb h ARG 235 CO 1.31 0.15 0.24 0.93 0.56 0.00 0.00 179.97 183.17 3hbb h GLU 236 N 0.24 0.62 -0.38 0.04 5.08 -1.90 0.52 114.58 118.80 3hbb h GLU 236 Ca 0.40 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.55 3hbb h GLU 236 Cb 0.68 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3hbb h GLU 236 CO -0.52 0.50 -0.30 1.49 -1.00 0.00 0.00 179.01 179.17 3hbb h GLU 237 N 0.58 0.83 -0.98 2.33 4.81 -1.88 -2.62 114.58 117.66 3hbb h GLU 237 Ca 0.16 -0.38 0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3hbb h GLU 237 Cb 0.06 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.35 3hbb h GLU 237 CO -0.02 1.02 0.62 0.93 -0.73 0.00 0.00 179.01 180.83 3hbb h GLU 238 N 0.70 0.95 -0.58 1.92 5.08 -0.95 0.25 114.58 121.94 3hbb h GLU 238 Ca 0.08 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3hbb h GLU 238 Cb 0.85 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 3hbb h GLU 238 CO 0.07 0.63 0.31 0.37 -1.00 0.00 0.00 179.01 179.39 3hbb h GLN 239 N 0.98 0.57 -0.21 2.33 4.15 -0.54 0.53 115.11 122.92 3hbb h GLN 239 Ca 0.47 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.83 3hbb h GLN 239 Cb 0.45 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3hbb h GLN 239 CO -0.23 0.38 0.02 -0.92 -1.93 0.00 0.00 178.83 176.15 3hbb h TYR 240 N 0.59 0.38 -0.67 3.99 5.03 -0.97 -2.73 116.97 122.60 3hbb h TYR 240 Ca 0.26 -0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 3hbb h TYR 240 Cb 0.15 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.29 3hbb h TYR 240 CO -0.09 0.52 0.40 -0.07 -1.32 0.00 0.00 178.16 177.60 3hbb h LEU 241 N 0.14 0.80 -0.60 2.82 3.38 -0.61 -1.84 115.31 119.39 3hbb h LEU 241 Ca 0.06 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hbb h LEU 241 Cb 0.35 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3hbb h LEU 241 CO 0.01 0.62 0.36 0.28 0.09 0.00 0.00 178.44 179.80 3hbb h SER 242 N 0.93 0.58 0.29 -0.43 0.02 -0.80 -0.91 113.55 113.23 3hbb h SER 242 Ca 0.24 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3hbb h SER 242 Cb -0.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.39 3hbb h SER 242 CO -0.05 0.40 -0.14 0.25 -1.14 0.00 0.00 176.83 176.15 3hbb h LEU 243 N 0.70 -0.34 -0.45 5.07 5.85 -1.06 -0.62 115.31 124.47 3hbb h LEU 243 Ca 0.25 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.07 3hbb h LEU 243 Cb 0.05 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3hbb h LEU 243 CO -0.11 -0.24 -0.06 0.58 -0.34 0.00 0.00 178.44 178.27 3hbb h VAL 244 N -0.40 0.59 -0.83 1.05 2.07 -1.22 -1.04 116.25 116.48 3hbb h VAL 244 Ca -0.04 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3hbb h VAL 244 Cb 0.30 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3hbb h VAL 244 CO 0.07 0.01 0.55 -0.78 0.02 0.00 0.00 177.57 177.43 3hbb h ASP 245 N 0.05 0.94 -0.68 0.57 3.58 -0.95 -2.28 116.42 117.64 3hbb h ASP 245 Ca 0.22 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 3hbb h ASP 245 Cb 0.34 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 3hbb h ASP 245 CO -0.42 0.67 0.16 -0.09 -2.88 0.00 0.00 179.24 176.67 3hbb h ARG 246 N 1.10 1.11 -0.58 0.28 2.43 -0.38 -1.56 114.38 116.78 3hbb h ARG 246 Ca 0.31 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3hbb h ARG 246 Cb -0.09 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3hbb h ARG 246 CO -0.08 0.98 0.33 0.82 -1.51 0.00 0.00 179.97 180.51 3hbb h ILE 247 N 1.05 1.19 -0.64 1.20 2.04 -0.81 0.29 117.51 121.83 3hbb h ILE 247 Ca 0.22 -0.46 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3hbb h ILE 247 Cb 0.38 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3hbb h ILE 247 CO 0.00 0.20 0.05 0.40 0.00 0.00 0.00 178.15 178.80 3hbb h ILE 248 N 0.79 1.26 0.00 -0.67 2.04 -1.17 0.18 117.51 119.94 3hbb h ILE 248 Ca 0.21 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 3hbb h ILE 248 Cb 0.03 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3hbb h ILE 248 CO -0.03 0.41 -0.72 0.03 0.00 0.00 0.00 178.15 177.83 3hbb h ARG 249 N 1.00 0.00 0.00 2.37 3.08 -1.01 -3.40 114.38 116.42 3hbb h ARG 249 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3hbb h ARG 249 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3hbb h ARG 249 CO 0.02 0.03 -0.12 0.39 -1.07 0.00 0.00 179.97 179.22 3hbb n GLU 250 N -2.83 3.59 -1.69 0.04 1.02 0.10 -5.07 120.64 115.81 3hbb n GLU 250 Ca 0.01 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 3hbb n GLU 250 Cb 0.56 -0.41 0.07 0.00 -0.02 0.00 0.00 31.44 31.63 3hbb n GLU 250 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hbb s GLY 251 N -0.31 2.47 0.20 0.62 0.00 0.63 -4.98 107.32 105.95 3hbb s GLY 251 Ca 0.00 0.89 -0.18 0.00 0.00 0.00 0.00 44.72 45.43 3hbb s GLY 251 CO 0.00 1.28 0.66 -1.31 0.00 0.00 0.00 173.10 173.74 3hbb s ASN 252 N -1.94 6.97 -0.06 1.64 -0.87 -0.05 -4.57 114.94 116.06 3hbb s ASN 252 Ca 0.75 1.30 -0.30 0.00 -1.57 0.00 0.00 52.86 53.04 3hbb s ASN 252 Cb -0.29 -2.37 -0.05 0.00 -0.02 0.00 0.00 41.25 38.52 3hbb s ASN 252 CO 0.40 0.05 1.61 -0.69 -2.57 0.00 0.00 177.10 175.91 3hbb s VAL 253 N -1.51 3.65 0.35 1.60 1.01 -1.26 -0.56 120.40 123.67 3hbb s VAL 253 Ca 0.41 0.79 0.04 0.00 0.00 0.00 0.00 61.98 63.22 3hbb s VAL 253 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3hbb s VAL 253 CO 0.20 -0.07 0.08 -0.54 0.00 0.00 0.00 175.10 174.77 3hbb s LYS 254 N 3.95 1.73 -0.06 2.72 1.02 0.65 -4.96 119.74 124.79 3hbb s LYS 254 Ca 0.71 -1.99 0.01 0.00 0.02 0.00 0.00 55.97 54.72 3hbb s LYS 254 Cb -0.32 -0.79 0.02 0.00 -0.52 0.00 0.00 37.83 36.21 3hbb s LYS 254 CO 0.28 -0.27 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.35 3hbb s HIS 255 N -3.28 1.11 1.12 3.18 3.76 -1.26 0.17 115.29 120.09 3hbb s HIS 255 Ca 0.32 -0.40 -0.18 0.00 -0.15 0.00 0.00 55.06 54.65 3hbb s HIS 255 Cb 0.07 -0.91 0.25 0.00 1.11 0.00 0.00 32.58 33.11 3hbb s HIS 255 CO 0.15 -0.28 1.16 0.16 -0.85 0.00 0.00 174.74 175.07 3hbb s ASP 256 N 1.02 1.63 0.29 1.40 -4.77 0.07 -4.87 116.67 111.44 3hbb s ASP 256 Ca -0.09 0.60 0.04 0.00 -3.30 0.00 0.00 52.55 49.80 3hbb s ASP 256 Cb -0.14 -0.84 0.70 0.00 -1.09 0.00 0.00 42.92 41.55 3hbb s ASP 256 CO -0.00 -3.68 1.75 -0.09 0.70 0.00 0.00 175.17 173.85 3hbb h ARG 257 N -2.28 0.61 -0.06 2.11 2.43 -2.01 -2.08 114.38 113.10 3hbb h ARG 257 Ca -0.46 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.43 3hbb h ARG 257 Cb 1.28 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3hbb h ARG 257 CO 0.38 0.40 -0.94 1.79 -1.51 0.00 0.00 179.97 180.10 3hbb h THR 258 N 0.63 1.28 0.00 0.20 1.35 -2.06 -3.47 112.91 110.83 3hbb h THR 258 Ca 0.55 -2.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 3hbb h THR 258 Cb 0.91 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 3hbb h THR 258 CO -0.42 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 3hbb n GLY 259 N 0.94 0.13 3.74 5.82 0.00 -0.78 -5.14 105.19 109.90 3hbb n GLY 259 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3hbb n GLY 259 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbb s VAL 260 N -0.25 3.81 0.29 1.61 1.01 -1.26 -4.73 120.40 120.88 3hbb s VAL 260 Ca 0.00 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 3hbb s VAL 260 Cb 0.00 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3hbb s VAL 260 CO 0.00 0.30 1.10 -0.83 0.00 0.00 0.00 175.10 175.67 3hbb s GLY 261 N -0.27 3.04 0.28 4.51 0.00 -1.26 -0.76 107.32 112.86 3hbb s GLY 261 Ca 0.48 0.90 0.07 0.00 0.00 0.00 0.00 44.72 46.17 3hbb s GLY 261 CO 0.36 1.49 -0.07 -0.51 0.00 0.00 0.00 173.10 174.37 3hbb s THR 262 N -1.20 1.69 -0.15 0.90 -4.23 0.13 -2.15 115.64 110.63 3hbb s THR 262 Ca 0.46 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3hbb s THR 262 Cb -0.31 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 3hbb s THR 262 CO 0.40 -0.30 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.37 3hbb s LEU 263 N -3.45 3.21 0.02 4.79 1.43 0.03 -0.25 118.68 124.46 3hbb s LEU 263 Ca 0.29 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3hbb s LEU 263 Cb 0.03 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3hbb s LEU 263 CO 0.12 0.19 -0.03 -0.94 0.23 0.00 0.00 176.35 175.92 3hbb s SER 264 N 0.24 0.30 0.25 2.29 1.04 0.28 -1.31 113.70 116.79 3hbb s SER 264 Ca -0.03 -0.34 0.09 0.00 0.48 0.00 0.00 55.95 56.15 3hbb s SER 264 Cb -0.14 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 3hbb s SER 264 CO 0.03 -0.17 -0.02 0.27 0.98 0.00 0.00 173.24 174.33 3hbb s ILE 265 N -0.94 3.40 -0.19 -1.02 -5.25 -0.27 -0.87 121.20 116.06 3hbb s ILE 265 Ca -0.09 -1.89 -0.01 0.00 -0.99 0.00 0.00 60.65 57.68 3hbb s ILE 265 Cb -0.07 -2.80 0.01 0.00 2.95 0.00 0.00 42.46 42.55 3hbb s ILE 265 CO -0.00 -0.34 -0.15 0.12 -1.79 0.00 0.00 174.94 172.78 3hbb s PHE 266 N -2.25 2.83 0.00 1.37 5.36 -1.26 -1.10 117.98 122.93 3hbb s PHE 266 Ca 0.31 -1.31 0.00 0.00 -0.96 0.00 0.00 56.93 54.97 3hbb s PHE 266 Cb -0.07 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.65 3hbb s PHE 266 CO 0.19 -0.66 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 3hbb n GLY 267 N 4.54 -2.54 3.57 13.12 0.00 0.66 -5.02 105.19 119.52 3hbb n GLY 267 Ca -0.20 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3hbb n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbb s ALA 268 N 0.00 -1.28 -0.19 4.61 0.00 -0.87 -4.97 121.76 119.06 3hbb s ALA 268 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 3hbb s ALA 268 Cb 0.00 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.06 3hbb s ALA 268 CO 0.00 -0.85 0.42 -1.14 0.00 0.00 0.00 175.76 174.19 3hbb s GLN 269 N -3.84 0.37 0.27 0.00 0.74 -1.26 -1.14 119.66 114.80 3hbb s GLN 269 Ca 0.06 0.93 0.11 0.00 0.05 0.00 0.00 55.36 56.51 3hbb s GLN 269 Cb -0.02 0.16 -0.05 0.00 1.10 0.00 0.00 33.01 34.19 3hbb s GLN 269 CO -0.04 -0.20 -0.19 -1.64 -0.55 0.00 0.00 175.29 172.66 3hbb s MET 270 N 2.00 1.63 0.06 1.67 -1.94 -0.69 -4.98 119.30 117.06 3hbb s MET 270 Ca -0.06 -1.74 0.04 0.00 -1.71 0.00 0.00 55.69 52.23 3hbb s MET 270 Cb -0.10 -1.68 -0.03 0.00 2.01 0.00 0.00 34.83 35.03 3hbb s MET 270 CO -0.13 0.31 -0.12 1.03 -0.01 0.00 0.00 175.02 176.10 3hbb s ARG 271 N -3.50 0.73 -0.02 2.03 0.52 -1.26 -0.52 118.95 116.93 3hbb s ARG 271 Ca 0.29 -0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 54.59 3hbb s ARG 271 Cb -0.05 -0.66 0.02 0.00 0.52 0.00 0.00 34.95 34.78 3hbb s ARG 271 CO 0.14 0.14 0.05 -0.06 0.02 0.00 0.00 175.30 175.59 3hbb s PHE 272 N -1.30 -0.04 -0.13 -0.53 0.08 0.07 -4.89 117.98 111.24 3hbb s PHE 272 Ca -0.04 0.17 -0.24 0.00 0.12 0.00 0.00 56.93 56.93 3hbb s PHE 272 Cb -0.10 -0.08 -0.02 0.00 -0.57 0.00 0.00 43.02 42.25 3hbb s PHE 272 CO 0.02 -0.06 0.77 0.45 -0.10 0.00 0.00 175.22 176.29 3hbb s SER 273 N 0.52 6.96 0.00 1.36 0.15 -1.26 -0.55 113.70 120.88 3hbb s SER 273 Ca -0.04 1.17 0.24 0.00 0.70 0.00 0.00 55.95 58.02 3hbb s SER 273 Cb -0.06 -2.43 0.30 0.00 -1.71 0.00 0.00 66.02 62.12 3hbb s SER 273 CO -0.02 -0.28 1.33 0.18 1.20 0.00 0.00 173.24 175.65 3hbb n LEU 274 N 4.62 3.02 -4.69 3.45 4.32 0.12 -4.62 117.00 123.22 3hbb n LEU 274 Ca 0.02 -1.09 -0.44 0.00 -0.02 0.00 0.00 56.01 54.48 3hbb n LEU 274 Cb 0.50 -0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 42.20 3hbb n LEU 274 CO 0.47 0.55 1.35 0.54 -1.22 0.00 0.00 177.39 179.08 3hbb n ARG 275 N 1.31 2.54 -2.90 3.23 1.74 -1.20 -1.34 116.66 120.04 3hbb n ARG 275 Ca 0.16 0.92 -0.15 0.00 -0.77 0.00 0.00 57.85 58.01 3hbb n ARG 275 Cb 0.59 -2.75 0.03 0.00 -1.02 0.00 0.00 32.46 29.30 3hbb n ARG 275 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hbb n ASN 276 N 4.38 -4.64 -3.91 0.55 3.02 -1.26 -2.91 115.26 110.50 3hbb n ASN 276 Ca 0.17 -0.24 -0.28 0.00 -0.03 0.00 0.00 54.58 54.20 3hbb n ASN 276 Cb 0.33 -3.42 0.01 0.00 -0.61 0.00 0.00 39.78 36.10 3hbb n ASN 276 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hbb n ASN 277 N -1.15 -2.98 -4.70 6.41 3.02 -0.45 -4.83 115.26 110.59 3hbb n ASN 277 Ca -0.05 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.22 3hbb n ASN 277 Cb 0.57 -3.64 -0.03 0.00 -0.61 0.00 0.00 39.78 36.07 3hbb n ASN 277 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3hbb s ARG 278 N -6.49 4.37 -0.33 3.52 3.52 -0.74 -1.17 118.95 121.63 3hbb s ARG 278 Ca 0.41 1.74 -0.06 0.00 -0.13 0.00 0.00 55.73 57.69 3hbb s ARG 278 Cb -0.21 -3.48 0.04 0.00 -1.56 0.00 0.00 34.95 29.74 3hbb s ARG 278 CO 0.85 -0.39 0.09 -1.17 -0.81 0.00 0.00 175.30 173.86 3hbb s LEU 279 N 1.82 4.20 -0.71 -0.88 2.96 -0.16 -4.25 118.68 121.67 3hbb s LEU 279 Ca 0.58 -1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 3hbb s LEU 279 Cb -0.27 -1.85 -0.10 0.00 0.50 0.00 0.00 46.19 44.47 3hbb s LEU 279 CO 0.25 -0.30 2.36 -0.81 -1.32 0.00 0.00 176.35 176.53 3hbb n PRO 280 N 4.79 2.04 -2.54 0.98 -0.04 -1.26 -3.36 135.00 135.61 3hbb n PRO 280 Ca -0.13 -1.29 -0.43 0.00 -0.04 0.00 0.00 63.50 61.61 3hbb n PRO 280 Cb 0.45 -2.29 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 3hbb n PRO 280 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hbb s LEU 281 N 0.07 3.70 0.41 1.53 1.43 -1.26 -4.61 118.68 119.95 3hbb s LEU 281 Ca 0.45 0.70 -0.25 0.00 -1.03 0.00 0.00 54.13 53.99 3hbb s LEU 281 Cb 0.15 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.72 3hbb s LEU 281 CO -0.03 -1.21 1.10 0.18 0.23 0.00 0.00 176.35 176.63 3hbb n LEU 282 N 7.84 3.09 -0.04 1.79 4.32 -1.26 -4.66 117.00 128.08 3hbb n LEU 282 Ca 0.13 1.07 0.01 0.00 -0.02 0.00 0.00 56.01 57.20 3hbb n LEU 282 Cb 0.48 -1.40 -0.12 0.00 -1.62 0.00 0.00 43.42 40.76 3hbb n LEU 282 CO 0.69 -1.18 -0.82 0.35 -1.22 0.00 0.00 177.39 175.21 3hbb n THR 283 N -0.36 0.45 0.90 -5.08 -2.24 -1.26 -4.36 114.28 102.33 3hbb n THR 283 Ca 0.08 -0.48 0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3hbb n THR 283 Cb 0.39 -0.20 0.52 0.00 -2.10 0.00 0.00 70.33 68.95 3hbb n THR 283 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hbb n THR 284 N -2.27 0.38 -3.68 4.28 -2.24 -1.26 -0.47 114.28 109.02 3hbb n THR 284 Ca -0.12 0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3hbb n THR 284 Cb 0.66 -0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 68.09 3hbb n THR 284 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hbb s LYS 285 N -2.84 0.52 0.06 -0.78 2.20 -1.26 -4.66 119.74 112.98 3hbb s LYS 285 Ca 0.15 0.86 -0.31 0.00 -0.36 0.00 0.00 55.97 56.32 3hbb s LYS 285 Cb 0.15 0.11 -0.08 0.00 -1.51 0.00 0.00 37.83 36.50 3hbb s LYS 285 CO 0.39 -0.13 1.60 0.50 -0.36 0.00 0.00 175.35 177.35 3hbb s ARG 286 N 1.11 4.22 0.16 4.03 3.52 -1.26 -4.68 118.95 126.05 3hbb s ARG 286 Ca -0.07 2.26 -0.21 0.00 -0.13 0.00 0.00 55.73 57.59 3hbb s ARG 286 Cb -0.06 -3.56 -0.08 0.00 -1.56 0.00 0.00 34.95 29.69 3hbb s ARG 286 CO -0.10 -0.69 0.69 0.08 -0.81 0.00 0.00 175.30 174.46 3hbb s VAL 287 N 2.49 4.56 -1.34 7.11 1.01 -1.26 -4.99 120.40 127.97 3hbb s VAL 287 Ca 0.72 1.38 -0.16 0.00 0.00 0.00 0.00 61.98 63.91 3hbb s VAL 287 Cb -0.38 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.07 3hbb s VAL 287 CO 0.31 0.40 2.04 0.33 0.00 0.00 0.00 175.10 178.18 3hbb n PHE 288 N 1.26 3.73 -0.27 5.22 7.35 -1.26 -4.83 117.46 128.66 3hbb n PHE 288 Ca -0.06 -2.78 0.06 0.00 -0.76 0.00 0.00 57.45 53.92 3hbb n PHE 288 Cb 0.50 -2.52 0.20 0.00 0.35 0.00 0.00 39.48 38.01 3hbb n PHE 288 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 3hbb h TRP 289 N 6.80 0.58 -0.96 -5.13 2.91 -1.99 -1.73 115.95 116.43 3hbb h TRP 289 Ca 0.51 0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.57 3hbb h TRP 289 Cb 0.73 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.19 3hbb h TRP 289 CO 1.42 0.08 0.62 -0.09 -1.03 0.00 0.00 178.44 179.45 3hbb h ARG 290 N 0.48 1.27 -0.33 2.65 2.43 -1.99 0.24 114.38 119.14 3hbb h ARG 290 Ca 0.43 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 3hbb h ARG 290 Cb 0.66 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3hbb h ARG 290 CO -0.40 0.85 0.05 0.78 -1.51 0.00 0.00 179.97 179.74 3hbb h GLY 291 N 1.31 0.59 0.47 2.80 0.00 -1.75 0.31 103.07 106.80 3hbb h GLY 291 Ca 0.35 -0.40 0.09 0.00 0.00 0.00 0.00 47.33 47.38 3hbb h GLY 291 CO -0.07 0.37 0.33 -2.08 0.00 0.00 0.00 176.54 175.08 3hbb h VAL 292 N 0.38 0.84 -0.06 4.60 2.07 -0.84 -0.29 116.25 122.95 3hbb h VAL 292 Ca 0.10 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 3hbb h VAL 292 Cb 0.35 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3hbb h VAL 292 CO 0.01 0.10 -0.47 0.00 0.02 0.00 0.00 177.57 177.23 3hbb h GLU 294 N -0.06 0.56 -0.08 0.00 4.39 -0.82 -2.81 114.58 115.76 3hbb h GLU 294 Ca -0.04 -0.22 -0.20 0.00 0.34 0.00 0.00 59.36 59.23 3hbb h GLU 294 Cb 1.14 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3hbb h GLU 294 CO 0.09 0.78 -0.79 1.49 -1.16 0.00 0.00 179.01 179.42 3hbb h GLU 295 N 0.49 0.52 -0.21 2.33 4.81 -1.09 -2.05 114.58 119.38 3hbb h GLU 295 Ca 0.07 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 3hbb h GLU 295 Cb 0.72 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3hbb h GLU 295 CO 0.06 1.08 0.01 1.25 -0.73 0.00 0.00 179.01 180.68 3hbb h LEU 296 N 0.34 0.35 -0.77 1.64 5.85 -1.35 0.17 115.31 121.53 3hbb h LEU 296 Ca -0.05 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3hbb h LEU 296 Cb 1.39 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 3hbb h LEU 296 CO 0.14 0.55 0.47 -0.07 -0.34 0.00 0.00 178.44 179.20 3hbb h LEU 297 N 0.13 0.75 -0.50 2.25 4.07 -1.54 0.23 115.31 120.71 3hbb h LEU 297 Ca 0.06 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.07 3hbb h LEU 297 Cb 0.37 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.92 3hbb h LEU 297 CO 0.01 0.50 0.27 -0.25 -1.08 0.00 0.00 178.44 177.89 3hbb h TRP 298 N 0.89 0.50 0.64 1.13 7.01 -1.17 -1.12 115.95 123.84 3hbb h TRP 298 Ca 0.33 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.32 3hbb h TRP 298 Cb 0.11 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3hbb h TRP 298 CO -0.04 0.26 -0.41 0.74 -2.79 0.00 0.00 178.44 176.20 3hbb h PHE 299 N 0.53 -1.08 -0.78 2.65 0.04 0.25 -2.54 116.94 116.01 3hbb h PHE 299 Ca 0.21 -0.01 0.22 0.00 2.80 0.00 0.00 57.97 61.20 3hbb h PHE 299 Cb 0.09 0.39 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 3hbb h PHE 299 CO -0.09 -0.61 0.56 -0.07 -0.60 0.00 0.00 178.31 177.50 3hbb h LEU 300 N -0.99 0.02 0.00 1.54 3.38 -0.34 0.18 115.31 119.10 3hbb h LEU 300 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hbb h LEU 300 Cb 0.81 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3hbb h LEU 300 CO 0.07 0.01 -0.05 0.54 0.09 0.00 0.00 178.44 179.10 3hbb n ARG 301 N -4.31 0.02 -0.77 1.13 1.74 -0.44 -4.92 116.66 109.10 3hbb n ARG 301 Ca 0.16 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3hbb n ARG 301 Cb 0.84 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3hbb n ARG 301 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hbb n GLY 302 N 1.49 0.62 3.75 -0.13 0.00 0.63 -5.01 105.19 106.55 3hbb n GLY 302 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3hbb n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbb s GLU 303 N -0.23 3.18 0.00 1.61 0.41 -0.97 -3.65 118.70 119.05 3hbb s GLU 303 Ca 0.00 2.20 0.00 0.00 -0.41 0.00 0.00 54.97 56.76 3hbb s GLU 303 Cb 0.00 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 3hbb s GLU 303 CO 0.00 -1.15 0.09 0.25 -0.49 0.00 0.00 175.26 173.96 3hbb n THR 304 N -1.00 0.00 -3.08 3.63 -2.24 -1.26 -4.43 114.28 105.90 3hbb n THR 304 Ca 0.10 -0.21 -0.44 0.00 -2.27 0.00 0.00 64.05 61.24 3hbb n THR 304 Cb 0.45 1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.89 3hbb n THR 304 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hbb s TYR 305 N -0.23 2.98 -0.65 4.78 5.04 -1.26 -1.61 117.35 126.40 3hbb s TYR 305 Ca 0.00 -0.51 0.23 0.00 -2.44 0.00 0.00 57.07 54.36 3hbb s TYR 305 Cb 0.00 -3.73 0.91 0.00 0.35 0.00 0.00 41.96 39.49 3hbb s TYR 305 CO 0.00 -1.16 1.71 0.00 -1.34 0.00 0.00 175.55 174.77 3hbb n ALA 306 N 6.49 1.87 -0.28 3.97 0.00 0.49 -2.50 120.51 130.55 3hbb n ALA 306 Ca -0.05 0.03 0.20 0.00 0.00 0.00 0.00 53.44 53.61 3hbb n ALA 306 Cb 0.45 -1.40 0.49 0.00 0.00 0.00 0.00 19.45 19.00 3hbb n ALA 306 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3hbb h LYS 307 N 0.00 0.43 -0.13 0.00 1.63 -1.91 0.38 116.57 116.98 3hbb h LYS 307 Ca 0.00 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3hbb h LYS 307 Cb 0.46 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 3hbb h LYS 307 CO 0.00 0.29 0.09 0.87 -3.45 0.00 0.00 179.45 177.25 3hbb h LYS 308 N 0.45 0.07 0.23 1.90 1.57 -1.88 0.21 116.57 119.12 3hbb h LYS 308 Ca 0.52 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.96 3hbb h LYS 308 Cb 1.25 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 33.57 3hbb h LYS 308 CO -0.23 0.05 -1.52 -0.07 -0.57 0.00 0.00 179.45 177.10 3hbb h LEU 309 N 0.08 0.76 -0.73 2.94 4.07 -1.17 -3.28 115.31 117.98 3hbb h LEU 309 Ca 0.06 -0.87 -0.06 0.00 0.08 0.00 0.00 57.88 57.08 3hbb h LEU 309 Cb 0.13 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 3hbb h LEU 309 CO -0.01 1.69 0.20 0.28 -1.08 0.00 0.00 178.44 179.53 3hbb h SER 310 N 0.13 1.08 0.03 -0.43 0.02 -0.50 0.12 113.55 114.00 3hbb h SER 310 Ca -0.26 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3hbb h SER 310 Cb 2.14 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 64.40 3hbb h SER 310 CO 0.25 1.02 -0.01 0.44 -1.14 0.00 0.00 176.83 177.39 3hbb h ASP 311 N 1.09 0.00 -0.67 3.07 3.32 -0.75 -0.62 116.42 121.86 3hbb h ASP 311 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3hbb h ASP 311 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3hbb h ASP 311 CO -0.00 0.01 0.00 0.29 -1.72 0.00 0.00 179.24 177.82 3hbb n LYS 312 N -3.76 3.23 -1.03 3.56 5.02 -0.67 -4.93 118.16 119.58 3hbb n LYS 312 Ca -0.03 -2.68 -0.01 0.00 -2.02 0.00 0.00 58.31 53.57 3hbb n LYS 312 Cb 0.09 -1.74 -0.00 0.00 -0.02 0.00 0.00 35.03 33.36 3hbb n LYS 312 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hbb n GLY 313 N 1.34 0.49 3.39 0.72 0.00 -0.24 -5.00 105.19 105.89 3hbb n GLY 313 Ca 0.25 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3hbb n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbb s VAL 314 N -1.92 5.05 -0.45 1.61 1.01 0.33 -4.95 120.40 121.08 3hbb s VAL 314 Ca 0.00 -0.96 0.16 0.00 0.00 0.00 0.00 61.98 61.17 3hbb s VAL 314 Cb 0.00 -3.94 0.60 0.00 0.00 0.00 0.00 36.38 33.04 3hbb s VAL 314 CO 0.00 -0.45 1.51 1.41 0.00 0.00 0.00 175.10 177.56 3hbb n HIS 315 N 5.13 1.22 0.33 5.22 8.25 -1.26 -2.76 115.22 131.36 3hbb n HIS 315 Ca -0.12 -0.75 0.22 0.00 -0.26 0.00 0.00 57.72 56.82 3hbb n HIS 315 Cb 0.45 -0.31 1.17 0.00 1.12 0.00 0.00 29.99 32.42 3hbb n HIS 315 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3hbb h ILE 316 N 2.70 0.00 -0.13 1.59 3.07 -1.94 -2.27 117.51 120.53 3hbb h ILE 316 Ca 0.00 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.36 3hbb h ILE 316 Cb 1.47 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3hbb h ILE 316 CO 0.26 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 178.15 3hbb n TRP 317 N -3.08 0.15 -0.22 0.16 7.02 -1.26 -4.66 117.44 115.55 3hbb n TRP 317 Ca -0.03 -0.12 -0.05 0.00 -1.02 0.00 0.00 57.50 56.28 3hbb n TRP 317 Cb 0.09 -0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.03 3hbb n TRP 317 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3hbb h ASP 318 N 2.81 0.69 -0.51 -0.99 5.19 -1.75 -1.38 116.42 120.49 3hbb h ASP 318 Ca 0.00 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 3hbb h ASP 318 Cb 0.66 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 3hbb h ASP 318 CO 0.00 0.50 0.18 0.44 -3.12 0.00 0.00 179.24 177.24 3hbb h ASP 319 N 0.82 0.73 -0.03 6.45 3.32 -1.83 -2.99 116.42 122.90 3hbb h ASP 319 Ca 0.24 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hbb h ASP 319 Cb -0.05 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3hbb h ASP 319 CO -0.07 0.72 0.00 0.59 -1.72 0.00 0.00 179.24 178.76 3hbb n ASN 320 N -4.51 0.83 -0.05 6.45 5.03 -1.02 -3.74 115.26 118.25 3hbb n ASN 320 Ca 0.02 -1.35 0.01 0.00 0.87 0.00 0.00 54.58 54.12 3hbb n ASN 320 Cb 0.18 -0.01 0.01 0.00 -1.02 0.00 0.00 39.78 38.93 3hbb n ASN 320 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbb n GLY 321 N 1.06 -0.57 3.80 7.41 0.00 -0.55 -4.65 105.19 111.69 3hbb n GLY 321 Ca 0.20 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3hbb n GLY 321 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hbb s SER 322 N -0.26 6.44 0.30 1.61 1.04 -1.14 0.70 113.70 122.39 3hbb s SER 322 Ca 0.01 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.34 3hbb s SER 322 Cb 0.01 -2.56 0.70 0.00 0.10 0.00 0.00 66.02 64.27 3hbb s SER 322 CO 0.01 -0.71 1.57 -0.09 0.98 0.00 0.00 173.24 175.00 3hbb h ARG 323 N 1.62 0.01 -0.64 4.02 9.65 -1.94 0.05 114.38 127.15 3hbb h ARG 323 Ca -0.49 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.35 3hbb h ARG 323 Cb 1.21 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 3hbb h ARG 323 CO 0.59 0.01 0.26 0.00 2.80 0.00 0.00 179.97 183.63 3hbb h ALA 324 N 1.97 0.83 -0.10 2.80 0.00 -1.95 -2.62 119.26 120.19 3hbb h ALA 324 Ca 0.57 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 3hbb h ALA 324 Cb 1.14 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hbb h ALA 324 CO -0.92 0.44 -0.83 0.35 0.00 0.00 0.00 179.25 178.29 3hbb h PHE 325 N 0.90 1.03 -0.72 0.00 3.57 -1.29 -2.71 116.94 117.73 3hbb h PHE 325 Ca 0.21 -0.49 -0.06 0.00 3.53 0.00 0.00 57.97 61.16 3hbb h PHE 325 Cb 0.20 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3hbb h PHE 325 CO 0.01 1.32 0.21 -0.07 -2.23 0.00 0.00 178.31 177.55 3hbb h LEU 326 N 0.45 1.05 -1.03 0.59 3.38 -1.27 -2.42 115.31 116.05 3hbb h LEU 326 Ca -0.07 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3hbb h LEU 326 Cb 1.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3hbb h LEU 326 CO 0.17 0.98 0.06 0.44 0.09 0.00 0.00 178.44 180.18 3hbb h ASP 327 N 1.07 0.71 0.18 -0.43 3.32 -1.51 0.12 116.42 119.88 3hbb h ASP 327 Ca 0.23 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hbb h ASP 327 Cb 0.32 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3hbb h ASP 327 CO -0.00 0.74 0.00 -1.54 -1.72 0.00 0.00 179.24 176.72 3hbb n SER 328 N -4.26 0.00 -0.34 6.45 3.41 -0.95 -2.12 113.62 115.83 3hbb n SER 328 Ca 0.03 -0.60 0.04 0.00 -0.26 0.00 0.00 58.87 58.09 3hbb n SER 328 Cb 0.25 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3hbb n SER 328 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3hbb n ARG 329 N -1.10 0.51 -0.23 4.33 3.00 -0.87 -4.99 116.66 117.32 3hbb n ARG 329 Ca 0.18 -0.97 0.00 0.00 -0.00 0.00 0.00 57.85 57.06 3hbb n ARG 329 Cb 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.44 3hbb n ARG 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hbb n GLY 330 N 0.55 0.90 2.52 5.14 0.00 -0.90 -4.97 105.19 108.43 3hbb n GLY 330 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3hbb n GLY 330 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbb n LEU 331 N 0.00 7.90 0.00 0.99 4.77 0.36 -4.66 117.00 126.36 3hbb n LEU 331 Ca 0.00 -4.87 0.13 0.00 -0.03 0.00 0.00 56.01 51.24 3hbb n LEU 331 Cb 0.00 -1.37 0.66 0.00 -2.33 0.00 0.00 43.42 40.38 3hbb n LEU 331 CO 0.00 1.99 0.96 0.35 -1.33 0.00 0.00 177.39 179.36 3hbb n THR 332 N 1.86 0.12 0.45 -5.08 -2.24 -1.26 -2.83 114.28 105.30 3hbb n THR 332 Ca 0.60 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 62.52 3hbb n THR 332 Cb 0.26 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 3hbb n THR 332 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hbb n GLU 333 N -1.34 0.37 -2.68 -0.78 4.71 -1.26 -4.91 120.64 114.75 3hbb n GLU 333 Ca 0.11 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.16 56.88 3hbb n GLU 333 Cb 0.24 -1.61 -0.05 0.00 -1.01 0.00 0.00 31.44 29.01 3hbb n GLU 333 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3hbb s TYR 334 N -3.25 3.50 0.65 -0.32 2.02 -1.13 -5.07 117.35 113.74 3hbb s TYR 334 Ca 0.02 1.71 -0.10 0.00 -0.37 0.00 0.00 57.07 58.33 3hbb s TYR 334 Cb 0.14 -3.01 -0.01 0.00 -0.40 0.00 0.00 41.96 38.67 3hbb s TYR 334 CO 0.82 -0.17 1.03 -1.83 -1.57 0.00 0.00 175.55 173.83 3hbb s GLU 335 N -2.28 3.21 0.26 -0.62 -1.05 -1.26 -4.96 118.70 112.00 3hbb s GLU 335 Ca 0.54 0.53 -0.31 0.00 -0.15 0.00 0.00 54.97 55.58 3hbb s GLU 335 Cb -0.20 -2.09 -0.13 0.00 -0.44 0.00 0.00 34.13 31.28 3hbb s GLU 335 CO 0.25 -0.76 1.48 -1.91 0.95 0.00 0.00 175.26 175.27 3hbb n GLU 336 N -2.82 2.30 -0.48 -4.83 2.13 -1.26 -1.62 120.64 114.06 3hbb n GLU 336 Ca 0.06 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.70 3hbb n GLU 336 Cb 0.56 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.74 3hbb n GLU 336 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3hbb n MET 337 N 2.04 0.00 -2.65 5.31 2.81 0.22 -4.89 117.12 119.96 3hbb n MET 337 Ca 0.10 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.57 3hbb n MET 337 Cb 0.34 -2.04 -0.03 0.00 -0.71 0.00 0.00 33.22 30.78 3hbb n MET 337 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hbb s ASP 338 N -3.48 6.38 0.00 7.83 -1.08 -0.64 -0.38 116.67 125.29 3hbb s ASP 338 Ca 0.00 -0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.20 3hbb s ASP 338 Cb 0.00 -2.52 1.09 0.00 -1.46 0.00 0.00 42.92 40.03 3hbb s ASP 338 CO 0.00 -1.45 1.77 0.18 0.52 0.00 0.00 175.17 176.18 3hbb n LEU 339 N 8.27 1.00 0.00 -1.34 4.77 -0.63 -4.77 117.00 124.29 3hbb n LEU 339 Ca 0.06 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3hbb n LEU 339 Cb 0.48 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3hbb n LEU 339 CO 0.69 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3hbb n GLY 340 N 1.23 -1.77 2.55 -0.72 0.00 -1.26 -1.35 105.19 103.87 3hbb n GLY 340 Ca 0.17 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3hbb n GLY 340 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hbb n PRO 341 N -0.13 3.23 -2.70 1.61 -0.04 -1.26 -4.80 135.00 130.91 3hbb n PRO 341 Ca 0.00 -2.43 -0.24 0.00 -0.04 0.00 0.00 63.50 60.80 3hbb n PRO 341 Cb 0.00 -3.07 0.03 0.00 -0.04 0.00 0.00 33.50 30.41 3hbb n PRO 341 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hbb s VAL 342 N 2.73 3.44 0.00 0.52 -7.23 -1.26 -4.52 120.40 114.08 3hbb s VAL 342 Ca 0.57 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 3hbb s VAL 342 Cb 0.16 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.79 3hbb s VAL 342 CO -0.08 -0.25 0.00 -1.22 -0.31 0.00 0.00 175.10 173.24 3hbb n TYR 343 N -2.33 0.00 -0.16 2.82 4.01 -1.26 -0.59 117.16 119.65 3hbb n TYR 343 Ca 0.04 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.91 3hbb n TYR 343 Cb 0.58 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 40.08 3hbb n TYR 343 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3hbb h GLY 344 N 0.00 0.76 0.63 2.72 0.00 -1.82 -0.00 103.07 105.36 3hbb h GLY 344 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.20 3hbb h GLY 344 CO 0.00 0.09 0.42 -2.75 0.00 0.00 0.00 176.54 174.30 3hbb h PHE 345 N 0.49 0.76 -0.03 5.60 3.04 -0.92 -1.39 116.94 124.50 3hbb h PHE 345 Ca 0.35 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 62.18 3hbb h PHE 345 Cb 0.68 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 3hbb h PHE 345 CO -0.00 0.34 -0.65 1.96 -2.02 0.00 0.00 178.31 177.94 3hbb h GLN 346 N 0.74 0.11 -0.76 1.11 1.08 -1.10 0.33 115.11 116.62 3hbb h GLN 346 Ca 0.34 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.40 3hbb h GLN 346 Cb 0.25 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 3hbb h GLN 346 CO -0.21 0.72 0.25 -1.49 -0.95 0.00 0.00 178.83 177.15 3hbb h TRP 347 N 0.08 1.21 0.00 2.96 4.06 -0.68 -2.36 115.95 121.22 3hbb h TRP 347 Ca -0.01 -0.12 -0.15 0.00 2.06 0.00 0.00 58.89 60.68 3hbb h TRP 347 Cb 1.16 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.94 3hbb h TRP 347 CO 0.01 0.94 -1.94 0.54 -3.56 0.00 0.00 178.44 174.43 3hbb n ARG 348 N -4.25 0.97 -2.60 0.49 5.12 -0.59 -1.06 116.66 114.74 3hbb n ARG 348 Ca 0.06 -0.08 -0.11 0.00 -1.93 0.00 0.00 57.85 55.79 3hbb n ARG 348 Cb 0.22 -1.41 0.03 0.00 -1.16 0.00 0.00 32.46 30.14 3hbb n ARG 348 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hbb n HIS 349 N -2.35 1.77 -1.68 -1.55 8.25 0.12 -2.83 115.22 116.95 3hbb n HIS 349 Ca -0.15 -2.53 -0.51 0.00 -0.26 0.00 0.00 57.72 54.27 3hbb n HIS 349 Cb 0.74 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 3hbb n HIS 349 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3hbb n PHE 350 N -0.41 2.15 -0.35 4.41 -0.00 -0.34 -1.27 117.46 121.66 3hbb n PHE 350 Ca 0.18 0.27 0.00 0.00 -0.00 0.00 0.00 57.45 57.90 3hbb n PHE 350 Cb 0.81 -2.55 0.00 0.00 -0.00 0.00 0.00 39.48 37.74 3hbb n PHE 350 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hbb n GLY 351 N 4.02 1.50 3.76 7.13 0.00 -1.26 -1.27 105.19 119.07 3hbb n GLY 351 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3hbb n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbb s ALA 352 N -3.06 3.54 0.12 4.61 0.00 -0.39 -4.89 121.76 121.69 3hbb s ALA 352 Ca 0.00 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 3hbb s ALA 352 Cb 0.00 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 3hbb s ALA 352 CO 0.00 -0.68 1.71 0.00 0.00 0.00 0.00 175.76 176.79 3hbb s ALA 353 N -0.66 3.75 -0.10 0.00 0.00 -1.26 -4.99 121.76 118.50 3hbb s ALA 353 Ca 0.53 1.36 -0.10 0.00 0.00 0.00 0.00 51.96 53.75 3hbb s ALA 353 Cb -0.40 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 18.96 3hbb s ALA 353 CO 0.49 -1.08 0.23 -0.47 0.00 0.00 0.00 175.76 174.93 3hbb s TYR 354 N 2.29 3.61 0.02 0.00 5.04 -1.26 -4.99 117.35 122.05 3hbb s TYR 354 Ca 0.76 0.65 -0.00 0.00 -2.44 0.00 0.00 57.07 56.04 3hbb s TYR 354 Cb -0.44 -2.09 -0.00 0.00 0.35 0.00 0.00 41.96 39.78 3hbb s TYR 354 CO 0.34 0.63 -0.00 0.25 -1.34 0.00 0.00 175.55 175.43 3hbb n THR 355 N 2.20 0.27 -3.90 4.34 -2.24 -1.26 -5.07 114.28 108.62 3hbb n THR 355 Ca -0.17 0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 3hbb n THR 355 Cb 0.54 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.54 3hbb n THR 355 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hbb s HIS 356 N -1.22 0.18 0.29 4.78 3.76 -1.26 -4.95 115.29 116.87 3hbb s HIS 356 Ca -0.00 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 3hbb s HIS 356 Cb 0.00 -0.11 0.54 0.00 1.11 0.00 0.00 32.58 34.11 3hbb s HIS 356 CO 0.00 -0.45 1.87 1.12 -0.85 0.00 0.00 174.74 176.44 3hbb h HIS 357 N 3.21 1.10 -0.23 1.40 2.07 -1.96 -2.71 115.15 118.03 3hbb h HIS 357 Ca -0.33 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 3hbb h HIS 357 Cb 1.19 -0.36 0.00 0.00 2.57 0.00 0.00 27.41 30.81 3hbb h HIS 357 CO 0.49 0.51 0.00 -0.40 -3.07 0.00 0.00 177.93 175.46 3hbb n ASP 358 N -4.54 1.85 -4.90 3.10 5.75 -1.26 -4.87 116.55 111.67 3hbb n ASP 358 Ca 0.16 -2.12 -0.28 0.00 -0.01 0.00 0.00 54.79 52.54 3hbb n ASP 358 Cb 0.28 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.05 3hbb n ASP 358 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hbb s ALA 359 N -1.64 3.33 -0.52 2.12 0.00 -1.02 -5.05 121.76 118.98 3hbb s ALA 359 Ca 0.18 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 3hbb s ALA 359 Cb 0.11 -2.66 0.06 0.00 0.00 0.00 0.00 23.12 20.63 3hbb s ALA 359 CO 0.09 -0.52 0.70 1.21 0.00 0.00 0.00 175.76 177.24 3hbb s ASN 360 N -4.17 6.24 -0.02 0.00 2.47 -1.26 -4.92 114.94 113.29 3hbb s ASN 360 Ca 0.50 -0.82 0.20 0.00 0.42 0.00 0.00 52.86 53.15 3hbb s ASN 360 Cb -0.10 -2.32 0.60 0.00 -1.45 0.00 0.00 41.25 37.98 3hbb s ASN 360 CO 0.46 -0.98 1.50 -1.22 -3.72 0.00 0.00 177.10 173.14 3hbb n TYR 361 N 6.47 0.99 -1.65 0.43 4.01 -1.26 -4.98 117.16 121.17 3hbb n TYR 361 Ca -0.05 -0.47 -0.48 0.00 -0.16 0.00 0.00 57.90 56.74 3hbb n TYR 361 Cb 0.46 -0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.39 3hbb n TYR 361 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hbb n ASP 362 N 1.36 2.72 0.00 7.72 8.00 -1.26 -1.65 116.55 133.44 3hbb n ASP 362 Ca 0.23 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.81 3hbb n ASP 362 Cb 0.62 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 3hbb n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hbb n GLY 363 N 3.28 2.65 3.82 0.44 0.00 -1.26 -5.01 105.19 109.12 3hbb n GLY 363 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3hbb n GLY 363 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbb s GLN 364 N -0.17 4.06 0.62 1.61 -0.21 -0.66 -4.94 119.66 119.96 3hbb s GLN 364 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.36 55.96 3hbb s GLN 364 Cb 0.00 -3.21 0.00 0.00 1.00 0.00 0.00 33.01 30.80 3hbb s GLN 364 CO 0.00 0.65 0.00 0.41 -2.12 0.00 0.00 175.29 174.23 3hbb n GLY 365 N 1.68 -2.20 3.61 3.09 0.00 -1.26 -4.40 105.19 105.72 3hbb n GLY 365 Ca -0.11 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 3hbb n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbb s VAL 366 N -0.31 5.29 -1.06 1.61 1.01 -0.39 -4.71 120.40 121.83 3hbb s VAL 366 Ca 0.00 0.27 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 3hbb s VAL 366 Cb 0.00 -3.57 0.11 0.00 0.00 0.00 0.00 36.38 32.92 3hbb s VAL 366 CO 0.00 0.25 1.36 -0.62 0.00 0.00 0.00 175.10 176.09 3hbb s ASP 367 N 1.58 6.70 0.22 3.32 -1.08 -1.13 -1.19 116.67 125.09 3hbb s ASP 367 Ca 0.09 -2.10 -0.06 0.00 -0.52 0.00 0.00 52.55 49.96 3hbb s ASP 367 Cb -0.15 -2.47 0.19 0.00 -1.46 0.00 0.00 42.92 39.02 3hbb s ASP 367 CO 0.10 -1.15 1.71 1.56 0.52 0.00 0.00 175.17 177.90 3hbb h GLN 368 N 8.64 0.97 0.34 4.34 4.20 -1.32 -1.81 115.11 130.47 3hbb h GLN 368 Ca 0.24 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3hbb h GLN 368 Cb 0.97 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3hbb h GLN 368 CO 1.27 0.94 -0.16 0.82 -0.67 0.00 0.00 178.83 181.03 3hbb h ILE 369 N 0.90 0.67 -0.47 2.54 1.08 -1.86 0.43 117.51 120.80 3hbb h ILE 369 Ca 0.17 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.69 3hbb h ILE 369 Cb 0.48 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 3hbb h ILE 369 CO 0.02 0.00 0.17 0.50 -0.69 0.00 0.00 178.15 178.16 3hbb h LYS 370 N -0.46 0.34 -0.17 2.37 3.64 -1.84 0.51 116.57 120.96 3hbb h LYS 370 Ca -0.05 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3hbb h LYS 370 Cb 0.35 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3hbb h LYS 370 CO 0.08 0.23 -0.10 0.00 -2.27 0.00 0.00 179.45 177.38 3hbb h ALA 371 N 1.31 0.04 -0.07 5.00 0.00 -1.09 -0.97 119.26 123.47 3hbb h ALA 371 Ca 0.22 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3hbb h ALA 371 Cb 0.22 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hbb h ALA 371 CO -0.22 -0.54 -0.18 0.82 0.00 0.00 0.00 179.25 179.13 3hbb h ILE 372 N -0.10 0.55 -0.53 0.00 5.03 -0.19 -0.44 117.51 121.83 3hbb h ILE 372 Ca 0.10 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.95 3hbb h ILE 372 Cb 0.25 0.55 -0.09 0.00 -3.03 0.00 0.00 36.82 34.50 3hbb h ILE 372 CO -0.23 0.00 -0.01 0.58 -0.68 0.00 0.00 178.15 177.81 3hbb h VAL 373 N -0.26 0.57 -0.55 1.67 2.07 -0.33 -0.13 116.25 119.29 3hbb h VAL 373 Ca 0.08 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3hbb h VAL 373 Cb 0.37 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3hbb h VAL 373 CO -0.22 0.02 0.09 -0.33 0.02 0.00 0.00 177.57 177.14 3hbb h GLU 374 N 0.11 0.92 0.36 1.57 4.39 -0.86 -2.85 114.58 118.22 3hbb h GLU 374 Ca 0.27 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3hbb h GLU 374 Cb 0.42 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3hbb h GLU 374 CO -0.45 0.89 -0.17 1.15 -1.16 0.00 0.00 179.01 179.26 3hbb h THR 375 N 0.81 0.65 -0.96 1.13 2.02 -0.09 -2.65 112.91 113.82 3hbb h THR 375 Ca 0.17 -0.03 0.20 0.00 0.77 0.00 0.00 66.41 67.52 3hbb h THR 375 Cb 0.42 0.66 -0.09 0.00 -1.74 0.00 0.00 68.15 67.41 3hbb h THR 375 CO 0.01 0.01 0.61 -0.07 0.37 0.00 0.00 175.52 176.45 3hbb h LEU 376 N -0.50 0.60 -0.31 2.58 3.38 -1.06 0.44 115.31 120.45 3hbb h LEU 376 Ca -0.05 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3hbb h LEU 376 Cb 0.38 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hbb h LEU 376 CO 0.08 0.23 -0.50 0.11 0.09 0.00 0.00 178.44 178.44 3hbb h LYS 377 N 0.59 0.88 0.02 1.13 1.57 -1.31 -3.35 116.57 116.10 3hbb h LYS 377 Ca 0.52 -0.54 -0.39 0.00 -1.87 0.00 0.00 60.65 58.38 3hbb h LYS 377 Cb 1.04 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 3hbb h LYS 377 CO -0.27 1.18 -2.37 0.25 -0.57 0.00 0.00 179.45 177.67 3hbb n THR 378 N -4.04 1.55 -3.55 -0.16 -2.24 -0.66 -4.85 114.28 100.33 3hbb n THR 378 Ca -0.04 -0.56 -0.29 0.00 -2.27 0.00 0.00 64.05 60.89 3hbb n THR 378 Cb 0.61 -1.53 -0.15 0.00 -2.10 0.00 0.00 70.33 67.16 3hbb n THR 378 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hbb s ASN 379 N -6.70 3.54 0.13 3.42 3.04 0.15 -5.00 114.94 113.51 3hbb s ASN 379 Ca -0.33 -1.42 0.26 0.00 0.04 0.00 0.00 52.86 51.41 3hbb s ASN 379 Cb 0.09 -0.41 0.96 0.00 -1.54 0.00 0.00 41.25 40.35 3hbb s ASN 379 CO 0.62 -0.42 1.81 -2.65 -3.04 0.00 0.00 177.10 173.42 3hbb n PRO 380 N 5.08 0.16 0.00 0.43 -0.02 -1.26 -3.21 135.00 136.18 3hbb n PRO 380 Ca -0.04 0.16 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 3hbb n PRO 380 Cb 0.41 -1.69 0.55 0.00 -0.02 0.00 0.00 33.50 32.75 3hbb n PRO 380 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hbb n ASP 381 N -1.97 0.00 -4.65 2.55 8.00 -1.26 -4.22 116.55 115.00 3hbb n ASP 381 Ca 0.06 0.39 -0.40 0.00 0.71 0.00 0.00 54.79 55.55 3hbb n ASP 381 Cb 0.37 -0.46 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 3hbb n ASP 381 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hbb n ASP 382 N -1.46 1.70 -0.48 -2.24 -0.08 -1.20 -4.95 116.55 107.84 3hbb n ASP 382 Ca 0.07 1.00 0.09 0.00 -1.51 0.00 0.00 54.79 54.44 3hbb n ASP 382 Cb 0.27 -1.43 0.19 0.00 2.34 0.00 0.00 41.12 42.49 3hbb n ASP 382 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hbb n ARG 383 N -0.26 2.23 -0.02 -0.67 1.74 -1.26 -4.56 116.66 113.86 3hbb n ARG 383 Ca 0.09 -2.61 0.03 0.00 -0.77 0.00 0.00 57.85 54.59 3hbb n ARG 383 Cb 0.42 -1.62 0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3hbb n ARG 383 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hbb n ARG 384 N -0.84 2.53 -2.08 5.56 1.74 -1.26 -4.92 116.66 117.38 3hbb n ARG 384 Ca 0.17 -1.77 -0.42 0.00 -0.77 0.00 0.00 57.85 55.06 3hbb n ARG 384 Cb 0.72 -1.13 -0.00 0.00 -1.02 0.00 0.00 32.46 31.04 3hbb n ARG 384 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3hbb n MET 385 N -0.74 2.94 -4.60 5.56 2.81 -1.26 -4.89 117.12 116.95 3hbb n MET 385 Ca 0.04 -2.87 -0.25 0.00 -1.81 0.00 0.00 57.70 52.81 3hbb n MET 385 Cb 0.35 -3.38 -0.14 0.00 -0.71 0.00 0.00 33.22 29.35 3hbb n MET 385 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3hbb s LEU 386 N 3.20 2.18 0.00 4.03 1.02 -1.26 -1.09 118.68 126.76 3hbb s LEU 386 Ca 0.51 -0.53 0.06 0.00 0.02 0.00 0.00 54.13 54.19 3hbb s LEU 386 Cb 0.09 -0.94 -0.02 0.00 0.02 0.00 0.00 46.19 45.35 3hbb s LEU 386 CO -0.01 0.14 -0.19 0.72 0.02 0.00 0.00 176.35 177.04 3hbb s PHE 387 N -0.83 1.68 0.14 0.29 -0.71 -0.71 -4.98 117.98 112.85 3hbb s PHE 387 Ca 0.07 -0.33 0.09 0.00 -1.04 0.00 0.00 56.93 55.72 3hbb s PHE 387 Cb -0.09 -1.05 -0.04 0.00 -1.21 0.00 0.00 43.02 40.63 3hbb s PHE 387 CO 0.02 0.00 -0.21 -0.08 -1.34 0.00 0.00 175.22 173.61 3hbb s THR 388 N -0.55 1.89 -0.42 -4.49 -1.32 -1.26 -2.15 115.64 107.34 3hbb s THR 388 Ca 0.07 -1.75 0.12 0.00 -1.21 0.00 0.00 61.69 58.92 3hbb s THR 388 Cb -0.08 -1.77 -0.14 0.00 -1.51 0.00 0.00 72.50 69.00 3hbb s THR 388 CO -0.00 -0.13 0.43 0.00 -2.21 0.00 0.00 174.62 172.71 3hbb n ALA 389 N 0.71 3.25 -2.61 11.08 0.00 -0.26 -4.46 120.51 128.23 3hbb n ALA 389 Ca -0.16 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 3hbb n ALA 389 Cb 0.55 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3hbb n ALA 389 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3hbb s TRP 390 N -2.26 2.54 -0.48 0.00 -0.11 -1.24 -4.76 118.94 112.64 3hbb s TRP 390 Ca 0.02 -0.72 0.00 0.00 1.22 0.00 0.00 56.10 56.63 3hbb s TRP 390 Cb 0.08 -4.63 0.13 0.00 -1.50 0.00 0.00 33.47 27.55 3hbb s TRP 390 CO 0.48 -1.91 0.25 1.21 -4.62 0.00 0.00 176.95 172.36 3hbb s ASN 391 N 4.54 4.92 0.45 5.86 3.84 -1.26 -4.98 114.94 128.31 3hbb s ASN 391 Ca 0.41 -2.52 0.29 0.00 0.21 0.00 0.00 52.86 51.25 3hbb s ASN 391 Cb -0.03 -1.75 1.36 0.00 -0.55 0.00 0.00 41.25 40.28 3hbb s ASN 391 CO -0.04 -0.39 1.71 -0.65 -2.79 0.00 0.00 177.10 174.94 3hbb h PRO 392 N 7.30 0.17 -0.21 0.43 0.11 -2.01 0.10 132.00 137.90 3hbb h PRO 392 Ca -0.07 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 3hbb h PRO 392 Cb 0.98 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3hbb h PRO 392 CO 0.66 0.11 -0.27 0.77 -0.21 0.00 0.00 178.00 179.06 3hbb h SER 393 N 0.17 0.41 0.30 -2.05 0.02 -2.00 -3.27 113.55 107.13 3hbb h SER 393 Ca 0.70 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.44 3hbb h SER 393 Cb 2.21 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.63 3hbb h SER 393 CO -0.26 0.68 -1.77 0.00 -1.14 0.00 0.00 176.83 174.34 3hbb n ALA 394 N -2.48 2.47 -0.29 3.77 0.00 0.24 -4.51 120.51 119.70 3hbb n ALA 394 Ca -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 53.44 52.85 3hbb n ALA 394 Cb 0.41 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 19.13 3hbb n ALA 394 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hbb h LEU 395 N 0.00 -1.10 -1.18 0.00 4.07 -1.28 0.26 115.31 116.08 3hbb h LEU 395 Ca -0.09 0.26 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3hbb h LEU 395 Cb 1.24 0.61 0.00 0.00 1.08 0.00 0.00 40.66 43.58 3hbb h LEU 395 CO 0.01 -0.29 0.00 -2.65 -1.08 0.00 0.00 178.44 174.43 3hbb n PRO 396 N -5.48 0.15 0.00 1.13 -0.02 -1.26 -1.27 135.00 128.24 3hbb n PRO 396 Ca 0.09 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3hbb n PRO 396 Cb 0.39 -1.91 0.32 0.00 -0.02 0.00 0.00 33.50 32.27 3hbb n PRO 396 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hbb n ARG 397 N -2.22 0.69 -3.67 -0.52 5.12 0.89 -4.93 116.66 112.03 3hbb n ARG 397 Ca -0.00 -0.42 -0.35 0.00 -1.93 0.00 0.00 57.85 55.15 3hbb n ARG 397 Cb 0.08 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 29.84 3hbb n ARG 397 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3hbb s MET 398 N -2.60 3.67 0.45 5.56 -1.94 -0.40 -4.23 119.30 119.81 3hbb s MET 398 Ca 0.21 0.05 0.19 0.00 -1.71 0.00 0.00 55.69 54.43 3hbb s MET 398 Cb 0.19 -3.04 1.15 0.00 2.01 0.00 0.00 34.83 35.15 3hbb s MET 398 CO 0.56 0.60 1.91 0.00 -0.01 0.00 0.00 175.02 178.08 3hbb h ALA 399 N 3.83 2.27 -1.95 3.03 0.00 -1.52 -3.43 119.26 121.49 3hbb h ALA 399 Ca -0.49 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hbb h ALA 399 Cb 1.19 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 3hbb h ALA 399 CO 0.66 -0.50 0.12 -1.17 0.00 0.00 0.00 179.25 178.36 3hbb s LEU 400 N -9.21 -0.80 0.53 0.00 2.96 -1.26 -5.00 118.68 105.90 3hbb s LEU 400 Ca -0.07 1.41 -0.20 0.00 -0.22 0.00 0.00 54.13 55.05 3hbb s LEU 400 Cb 0.21 2.36 -0.06 0.00 0.50 0.00 0.00 46.19 49.20 3hbb s LEU 400 CO 0.77 -0.23 1.12 -2.84 -1.32 0.00 0.00 176.35 173.84 3hbb s PRO 401 N 0.96 3.44 0.68 0.98 0.02 -1.26 -4.93 135.00 134.89 3hbb s PRO 401 Ca -0.05 1.58 -0.16 0.00 0.02 0.00 0.00 61.00 62.39 3hbb s PRO 401 Cb -0.05 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.45 3hbb s PRO 401 CO -0.09 -0.77 1.22 -1.25 -0.33 0.00 0.00 177.00 175.77 3hbb s PRO 402 N -3.26 2.43 -0.06 5.54 0.04 -1.26 -4.97 135.00 133.46 3hbb s PRO 402 Ca 0.72 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 63.49 3hbb s PRO 402 Cb -0.23 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3hbb s PRO 402 CO 0.26 -1.63 -0.14 0.00 0.04 0.00 0.00 177.00 175.54 3hbb s HIS 404 N -1.90 2.81 0.00 0.00 0.00 -1.26 -2.39 115.29 112.55 3hbb s HIS 404 Ca -0.11 0.97 0.00 0.00 -3.00 0.00 0.00 55.06 52.91 3hbb s HIS 404 Cb 0.02 -3.74 0.00 0.00 -4.00 0.00 0.00 32.58 24.86 3hbb s HIS 404 CO 0.17 -1.56 0.00 1.47 -1.00 0.00 0.00 174.74 173.82 3hbb n LEU 405 N 7.19 0.00 -3.74 5.38 -0.00 -0.79 -4.85 117.00 120.19 3hbb n LEU 405 Ca 0.14 -0.18 -0.13 0.00 -0.00 0.00 0.00 56.01 55.85 3hbb n LEU 405 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.78 3hbb n LEU 405 CO 0.60 0.00 0.04 -0.22 -0.00 0.00 0.00 177.39 177.81 3hbb s LEU 406 N -1.83 0.47 -0.06 1.47 0.20 -1.22 -1.10 118.68 116.61 3hbb s LEU 406 Ca 0.00 0.77 -0.02 0.00 0.69 0.00 0.00 54.13 55.57 3hbb s LEU 406 Cb 0.00 1.28 0.04 0.00 -0.43 0.00 0.00 46.19 47.08 3hbb s LEU 406 CO 0.00 -0.14 0.12 0.00 -0.29 0.00 0.00 176.35 176.04 3hbb s ALA 407 N 0.39 -0.14 -0.07 5.97 0.00 -0.92 0.35 121.76 127.35 3hbb s ALA 407 Ca -0.02 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3hbb s ALA 407 Cb -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3hbb s ALA 407 CO -0.01 -0.26 -0.11 -1.14 0.00 0.00 0.00 175.76 174.24 3hbb s GLN 408 N 1.46 2.76 0.06 0.00 0.74 0.45 -1.73 119.66 123.39 3hbb s GLN 408 Ca -0.06 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 54.73 3hbb s GLN 408 Cb -0.12 -2.51 -0.04 0.00 1.10 0.00 0.00 33.01 31.44 3hbb s GLN 408 CO -0.05 0.56 0.13 -0.06 -0.55 0.00 0.00 175.29 175.32 3hbb s PHE 409 N -0.56 3.33 -0.06 1.67 0.08 -0.25 -0.14 117.98 122.06 3hbb s PHE 409 Ca 0.08 0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.25 3hbb s PHE 409 Cb -0.12 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3hbb s PHE 409 CO 0.02 0.56 0.14 -0.47 -0.10 0.00 0.00 175.22 175.36 3hbb s TYR 410 N -1.40 -0.16 -0.12 0.36 5.04 0.04 -4.72 117.35 116.40 3hbb s TYR 410 Ca 0.30 0.40 0.03 0.00 -2.44 0.00 0.00 57.07 55.36 3hbb s TYR 410 Cb -0.12 0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.22 3hbb s TYR 410 CO 0.23 -0.09 -0.21 0.08 -1.34 0.00 0.00 175.55 174.21 3hbb s VAL 411 N 0.31 1.94 -0.14 3.14 1.01 -1.26 0.99 120.40 126.39 3hbb s VAL 411 Ca -0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 3hbb s VAL 411 Cb -0.03 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.68 3hbb s VAL 411 CO -0.01 0.53 0.42 -0.94 0.00 0.00 0.00 175.10 175.10 3hbb s SER 412 N 0.70 -0.42 -1.48 3.32 1.04 -0.66 -4.86 113.70 111.33 3hbb s SER 412 Ca -0.11 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 56.99 3hbb s SER 412 Cb -0.16 0.81 0.07 0.00 0.10 0.00 0.00 66.02 66.84 3hbb s SER 412 CO 0.01 -0.18 0.83 0.59 0.98 0.00 0.00 173.24 175.48 3hbb n ASN 413 N 2.69 -4.80 0.00 7.02 3.02 -1.26 -1.20 115.26 120.73 3hbb n ASN 413 Ca -0.14 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3hbb n ASN 413 Cb 0.57 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 3hbb n ASN 413 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbb n GLY 414 N -1.56 0.48 3.69 7.41 0.00 -1.26 -5.00 105.19 108.94 3hbb n GLY 414 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3hbb n GLY 414 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbb s GLU 415 N -0.54 3.04 -0.29 1.61 2.02 -0.34 -1.44 118.70 122.76 3hbb s GLU 415 Ca 0.00 -0.39 -0.14 0.00 0.02 0.00 0.00 54.97 54.46 3hbb s GLU 415 Cb 0.00 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 3hbb s GLU 415 CO 0.00 0.70 0.34 -1.17 0.02 0.00 0.00 175.26 175.15 3hbb s LEU 416 N -0.86 4.13 0.20 1.80 2.96 0.17 -1.65 118.68 125.43 3hbb s LEU 416 Ca 0.13 0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 3hbb s LEU 416 Cb -0.11 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3hbb s LEU 416 CO 0.02 -0.20 0.21 -0.44 -1.32 0.00 0.00 176.35 174.62 3hbb s SER 417 N 1.68 5.77 -0.02 3.68 0.01 0.28 -0.20 113.70 124.90 3hbb s SER 417 Ca 0.13 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.29 3hbb s SER 417 Cb -0.16 -1.56 0.02 0.00 0.21 0.00 0.00 66.02 64.52 3hbb s SER 417 CO 0.11 0.01 0.05 0.00 0.41 0.00 0.00 173.24 173.81 3hbb s MET 419 N 0.56 3.38 -0.07 0.00 -2.45 0.80 -0.34 119.30 121.19 3hbb s MET 419 Ca -0.05 -0.60 0.04 0.00 -1.25 0.00 0.00 55.69 53.83 3hbb s MET 419 Cb -0.06 -2.73 -0.02 0.00 1.25 0.00 0.00 34.83 33.27 3hbb s MET 419 CO -0.02 0.30 -0.19 -1.17 1.05 0.00 0.00 175.02 174.99 3hbb s LEU 420 N 0.16 2.44 -0.15 4.11 2.96 0.13 -0.41 118.68 127.91 3hbb s LEU 420 Ca -0.04 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3hbb s LEU 420 Cb -0.14 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3hbb s LEU 420 CO 0.04 0.27 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.81 3hbb s TYR 421 N -0.29 2.97 -0.11 5.38 6.14 0.16 -0.97 117.35 130.63 3hbb s TYR 421 Ca 0.01 -0.40 -0.01 0.00 0.64 0.00 0.00 57.07 57.31 3hbb s TYR 421 Cb -0.13 -1.94 0.03 0.00 0.42 0.00 0.00 41.96 40.34 3hbb s TYR 421 CO 0.03 -0.09 -0.05 -1.14 0.64 0.00 0.00 175.55 174.94 3hbb s GLN 422 N 0.40 1.20 0.19 4.97 0.74 -0.60 -1.89 119.66 124.66 3hbb s GLN 422 Ca -0.05 -0.16 0.10 0.00 0.05 0.00 0.00 55.36 55.29 3hbb s GLN 422 Cb -0.15 -1.44 -0.03 0.00 1.10 0.00 0.00 33.01 32.49 3hbb s GLN 422 CO 0.03 -0.30 1.38 0.07 -0.55 0.00 0.00 175.29 175.93 3hbb h ARG 423 N 8.22 0.00 -3.93 1.67 0.11 -1.77 0.17 114.38 118.85 3hbb h ARG 423 Ca -0.26 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.41 3hbb h ARG 423 Cb 1.13 0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.86 3hbb h ARG 423 CO 0.36 0.82 -0.77 0.45 0.10 0.00 0.00 179.97 180.93 3hbb s SER 424 N -6.67 1.05 -0.38 0.08 0.15 -1.26 -1.52 113.70 105.14 3hbb s SER 424 Ca 0.01 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.56 3hbb s SER 424 Cb 0.10 -0.43 0.13 0.00 -1.71 0.00 0.00 66.02 64.10 3hbb s SER 424 CO 0.79 -0.09 0.19 0.00 1.20 0.00 0.00 173.24 175.34 3hbb s ASP 426 N 0.88 6.08 0.43 0.00 2.15 -1.26 -1.08 116.67 123.88 3hbb s ASP 426 Ca 0.15 0.67 0.09 0.00 0.43 0.00 0.00 52.55 53.89 3hbb s ASP 426 Cb -0.22 -2.54 0.94 0.00 -0.30 0.00 0.00 42.92 40.80 3hbb s ASP 426 CO -0.07 -1.67 2.06 0.24 -0.17 0.00 0.00 175.17 175.56 3hbb h MET 427 N 11.61 0.38 -0.00 4.34 2.86 -1.51 -0.89 114.93 131.71 3hbb h MET 427 Ca -0.28 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3hbb h MET 427 Cb 1.12 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3hbb h MET 427 CO 1.12 0.28 -0.30 0.41 1.06 0.00 0.00 176.91 179.48 3hbb n GLY 428 N -1.41 -0.97 2.07 8.32 0.00 -1.26 -4.41 105.19 107.53 3hbb n GLY 428 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3hbb n GLY 428 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hbb n LEU 429 N -1.08 -1.38 -0.32 0.99 7.94 -1.11 -4.94 117.00 117.09 3hbb n LEU 429 Ca 0.10 0.48 0.01 0.00 -1.11 0.00 0.00 56.01 55.48 3hbb n LEU 429 Cb 0.33 1.44 0.14 0.00 0.53 0.00 0.00 43.42 45.86 3hbb n LEU 429 CO 0.29 -0.37 1.21 1.23 -1.11 0.00 0.00 177.39 178.64 3hbb h GLY 430 N 0.00 1.34 0.50 -3.96 0.00 -1.65 -3.03 103.07 96.27 3hbb h GLY 430 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3hbb h GLY 430 CO 0.00 0.30 -0.09 -2.08 0.00 0.00 0.00 176.54 174.67 3hbb h VAL 431 N 1.04 0.90 -0.28 4.60 2.07 -1.42 -2.05 116.25 121.11 3hbb h VAL 431 Ca 0.38 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 67.01 3hbb h VAL 431 Cb 0.14 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3hbb h VAL 431 CO -0.16 0.20 0.19 -0.65 0.02 0.00 0.00 177.57 177.16 3hbb h PRO 432 N -0.74 0.15 -0.33 1.57 0.11 -1.77 -0.86 132.00 130.13 3hbb h PRO 432 Ca -0.02 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3hbb h PRO 432 Cb 0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 3hbb h PRO 432 CO 0.04 0.10 -0.08 0.35 -0.21 0.00 0.00 178.00 178.20 3hbb h PHE 433 N 0.16 0.72 -0.01 0.65 3.04 -1.49 -3.00 116.94 117.01 3hbb h PHE 433 Ca 0.12 -0.16 -0.18 0.00 3.98 0.00 0.00 57.97 61.73 3hbb h PHE 433 Cb 0.29 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 3hbb h PHE 433 CO -0.00 0.81 -0.82 -0.91 -2.02 0.00 0.00 178.31 175.37 3hbb h ASN 434 N 0.42 0.19 -0.71 0.41 2.35 -0.56 -1.31 115.58 116.37 3hbb h ASN 434 Ca 0.08 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3hbb h ASN 434 Cb 0.58 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 3hbb h ASN 434 CO 0.03 0.93 0.45 0.40 -1.65 0.00 0.00 177.43 177.59 3hbb h ILE 435 N 0.09 1.10 -0.46 2.81 2.04 -1.24 -0.86 117.51 120.99 3hbb h ILE 435 Ca -0.03 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 3hbb h ILE 435 Cb 1.43 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3hbb h ILE 435 CO 0.12 0.16 -0.10 0.00 0.00 0.00 0.00 178.15 178.33 3hbb h ALA 436 N 1.30 0.63 -0.31 1.87 0.00 -1.36 -1.80 119.26 119.59 3hbb h ALA 436 Ca 0.28 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hbb h ALA 436 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hbb h ALA 436 CO -0.10 0.52 0.12 0.77 0.00 0.00 0.00 179.25 180.56 3hbb h SER 437 N 0.72 0.16 1.60 0.00 0.02 -0.66 -0.82 113.55 114.56 3hbb h SER 437 Ca 0.12 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3hbb h SER 437 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3hbb h SER 437 CO 0.04 0.13 -0.41 1.88 -1.14 0.00 0.00 176.83 177.33 3hbb h TYR 438 N 0.27 0.00 0.18 3.45 -1.99 -1.19 -1.53 116.97 116.15 3hbb h TYR 438 Ca 0.13 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 3hbb h TYR 438 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 3hbb h TYR 438 CO -0.12 0.31 -0.09 0.00 -0.00 0.00 0.00 178.16 178.26 3hbb h ALA 439 N 1.69 -0.24 -0.31 3.88 0.00 -1.15 -0.03 119.26 123.10 3hbb h ALA 439 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hbb h ALA 439 Cb 1.25 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 3hbb h ALA 439 CO 0.04 -0.58 -0.02 1.25 0.00 0.00 0.00 179.25 179.94 3hbb h LEU 440 N -0.35 -0.16 0.14 0.00 6.46 -1.07 -1.52 115.31 118.81 3hbb h LEU 440 Ca -0.02 0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 3hbb h LEU 440 Cb 0.27 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3hbb h LEU 440 CO 0.04 -0.05 -0.27 0.25 -0.62 0.00 0.00 178.44 177.79 3hbb h LEU 441 N 0.07 -0.77 -0.74 2.25 5.85 -1.19 0.47 115.31 121.25 3hbb h LEU 441 Ca 0.15 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3hbb h LEU 441 Cb 0.21 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3hbb h LEU 441 CO -0.27 -0.37 0.45 0.74 -0.34 0.00 0.00 178.44 178.66 3hbb h THR 442 N -0.50 1.05 -0.57 1.05 2.02 -0.84 0.73 112.91 115.85 3hbb h THR 442 Ca 0.02 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.94 3hbb h THR 442 Cb 0.51 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 3hbb h THR 442 CO -0.14 0.16 0.35 0.40 0.37 0.00 0.00 175.52 176.65 3hbb h ILE 443 N 0.85 1.06 -0.53 3.11 2.04 -0.94 0.25 117.51 123.35 3hbb h ILE 443 Ca 0.31 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 3hbb h ILE 443 Cb 0.10 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3hbb h ILE 443 CO -0.15 0.12 0.03 -0.07 0.00 0.00 0.00 178.15 178.09 3hbb h LEU 444 N 0.68 0.89 -0.51 1.44 3.38 0.09 -1.92 115.31 119.36 3hbb h LEU 444 Ca 0.23 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3hbb h LEU 444 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3hbb h LEU 444 CO -0.10 0.96 -0.27 0.40 0.09 0.00 0.00 178.44 179.52 3hbb h ILE 445 N 0.79 1.27 -0.96 1.22 1.08 -0.65 -0.06 117.51 120.20 3hbb h ILE 445 Ca 0.15 -1.44 0.11 0.00 -0.39 0.00 0.00 64.86 63.30 3hbb h ILE 445 Cb 0.48 1.23 -0.08 0.00 -3.07 0.00 0.00 36.82 35.38 3hbb h ILE 445 CO 0.02 0.49 0.59 0.00 -0.69 0.00 0.00 178.15 178.56 3hbb h ALA 446 N 0.90 1.42 -0.19 1.87 0.00 -0.35 0.30 119.26 123.20 3hbb h ALA 446 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hbb h ALA 446 Cb 0.84 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hbb h ALA 446 CO 0.07 0.22 -0.03 0.87 0.00 0.00 0.00 179.25 180.38 3hbb h LYS 447 N 0.96 0.36 -0.11 0.00 1.57 -0.95 0.12 116.57 118.52 3hbb h LYS 447 Ca 0.47 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 59.15 3hbb h LYS 447 Cb 0.43 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3hbb h LYS 447 CO -0.25 0.60 0.09 0.00 -0.57 0.00 0.00 179.45 179.31 3hbb h ALA 448 N 0.75 2.02 -0.01 3.86 0.00 0.10 -2.88 119.26 123.09 3hbb h ALA 448 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hbb h ALA 448 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hbb h ALA 448 CO 0.02 -0.14 -0.04 0.25 0.00 0.00 0.00 179.25 179.33 3hbb n THR 449 N -4.36 0.00 -2.40 0.00 -2.24 -0.01 -4.30 114.28 100.97 3hbb n THR 449 Ca -0.00 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.22 3hbb n THR 449 Cb 0.20 1.25 0.01 0.00 -2.10 0.00 0.00 70.33 69.69 3hbb n THR 449 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbb n GLY 450 N 0.77 0.16 3.76 3.38 0.00 -0.70 -4.73 105.19 107.83 3hbb n GLY 450 Ca 0.07 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3hbb n GLY 450 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbb s LEU 451 N -2.61 3.12 0.01 0.99 1.43 0.34 -4.43 118.68 117.52 3hbb s LEU 451 Ca 0.07 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.04 3hbb s LEU 451 Cb -0.03 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3hbb s LEU 451 CO 0.09 -0.58 0.27 -0.13 0.23 0.00 0.00 176.35 176.23 3hbb s ARG 452 N -3.94 3.58 0.42 1.70 0.52 -0.52 -4.25 118.95 116.46 3hbb s ARG 452 Ca 0.41 -0.07 -0.26 0.00 -0.52 0.00 0.00 55.73 55.29 3hbb s ARG 452 Cb 0.03 -3.08 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 3hbb s ARG 452 CO 0.23 0.65 1.43 -2.14 0.02 0.00 0.00 175.30 175.48 3hbb s PRO 453 N -1.74 3.84 0.00 3.54 0.02 -1.26 0.44 135.00 139.83 3hbb s PRO 453 Ca 0.27 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3hbb s PRO 453 Cb -0.13 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3hbb s PRO 453 CO 0.16 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 3hbb n GLY 454 N 0.56 1.11 3.65 0.52 0.00 0.72 -3.97 105.19 107.77 3hbb n GLY 454 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3hbb n GLY 454 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbb s GLU 455 N 1.69 2.33 -0.22 1.61 2.02 -1.26 0.15 118.70 125.02 3hbb s GLU 455 Ca 0.00 -1.20 -0.02 0.00 0.02 0.00 0.00 54.97 53.77 3hbb s GLU 455 Cb 0.00 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.96 3hbb s GLU 455 CO 0.00 0.43 -0.09 -1.17 0.02 0.00 0.00 175.26 174.45 3hbb s LEU 456 N -3.10 2.80 -0.20 1.80 1.98 0.29 -1.14 118.68 121.11 3hbb s LEU 456 Ca 0.28 -0.64 -0.09 0.00 -2.89 0.00 0.00 54.13 50.79 3hbb s LEU 456 Cb -0.09 -1.64 -0.05 0.00 0.66 0.00 0.00 46.19 45.07 3hbb s LEU 456 CO 0.18 -0.05 0.12 -0.69 -1.89 0.00 0.00 176.35 174.01 3hbb s VAL 457 N 1.37 5.22 -0.27 1.68 1.01 0.54 -0.75 120.40 129.20 3hbb s VAL 457 Ca 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3hbb s VAL 457 Cb -0.15 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.88 3hbb s VAL 457 CO -0.06 0.43 -0.03 -2.28 0.00 0.00 0.00 175.10 173.16 3hbb s HIS 458 N 0.48 3.15 -0.21 5.22 2.46 0.32 -0.69 115.29 126.01 3hbb s HIS 458 Ca 0.07 -1.63 -0.11 0.00 0.47 0.00 0.00 55.06 53.85 3hbb s HIS 458 Cb -0.12 -2.09 -0.05 0.00 -0.13 0.00 0.00 32.58 30.19 3hbb s HIS 458 CO -0.00 -0.75 0.18 0.99 -2.47 0.00 0.00 174.74 172.69 3hbb s THR 459 N 1.31 5.36 -0.09 0.89 2.01 -0.14 -1.70 115.64 123.27 3hbb s THR 459 Ca -0.02 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 3hbb s THR 459 Cb -0.18 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3hbb s THR 459 CO -0.03 0.38 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.50 3hbb s LEU 460 N 0.74 3.40 0.00 4.42 1.02 -0.29 -1.56 118.68 126.40 3hbb s LEU 460 Ca 0.10 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.29 3hbb s LEU 460 Cb -0.13 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.31 3hbb s LEU 460 CO 0.02 0.33 0.00 0.61 0.02 0.00 0.00 176.35 177.33 3hbb n GLY 461 N 2.44 1.11 3.54 -3.19 0.00 0.61 -2.05 105.19 107.64 3hbb n GLY 461 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3hbb n GLY 461 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hbb s ASP 462 N -1.00 6.38 -0.28 1.61 -1.08 -0.58 -0.24 116.67 121.48 3hbb s ASP 462 Ca 0.00 -0.21 -0.10 0.00 -0.52 0.00 0.00 52.55 51.71 3hbb s ASP 462 Cb 0.00 -2.45 -0.05 0.00 -1.46 0.00 0.00 42.92 38.96 3hbb s ASP 462 CO 0.00 -1.23 0.17 0.00 0.52 0.00 0.00 175.17 174.62 3hbb s ALA 463 N 4.06 3.46 0.10 3.66 0.00 -0.26 -0.45 121.76 132.32 3hbb s ALA 463 Ca 0.33 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3hbb s ALA 463 Cb -0.11 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 3hbb s ALA 463 CO 0.21 -0.55 -0.07 -3.38 0.00 0.00 0.00 175.76 171.98 3hbb s HIS 464 N 1.73 0.92 -0.04 0.00 -3.43 -0.24 -1.12 115.29 113.11 3hbb s HIS 464 Ca 0.07 -0.90 0.03 0.00 -0.80 0.00 0.00 55.06 53.46 3hbb s HIS 464 Cb -0.16 -0.53 0.00 0.00 -1.43 0.00 0.00 32.58 30.47 3hbb s HIS 464 CO 0.10 -0.13 -0.14 0.08 -2.00 0.00 0.00 174.74 172.65 3hbb s VAL 465 N -3.60 1.18 0.39 -5.38 1.01 -0.43 -1.11 120.40 112.47 3hbb s VAL 465 Ca 0.12 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 3hbb s VAL 465 Cb 0.05 -1.04 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 3hbb s VAL 465 CO -0.04 0.35 1.18 -0.31 0.00 0.00 0.00 175.10 176.28 3hbb s TYR 466 N 0.25 3.09 0.40 5.22 2.02 -1.26 -0.79 117.35 126.27 3hbb s TYR 466 Ca -0.07 1.55 0.08 0.00 -0.37 0.00 0.00 57.07 58.26 3hbb s TYR 466 Cb -0.12 -3.42 0.81 0.00 -0.40 0.00 0.00 41.96 38.84 3hbb s TYR 466 CO 0.02 -1.34 1.99 0.77 -1.57 0.00 0.00 175.55 175.42 3hbb h SER 467 N 2.77 0.39 0.13 2.29 0.02 -1.76 -0.25 113.55 117.13 3hbb h SER 467 Ca -0.49 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 3hbb h SER 467 Cb 1.23 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3hbb h SER 467 CO 0.63 0.38 0.00 -0.46 -1.14 0.00 0.00 176.83 176.24 3hbb n ASN 468 N -4.39 0.00 -0.32 3.07 2.04 -1.26 -2.75 115.26 111.65 3hbb n ASN 468 Ca 0.01 -0.59 0.05 0.00 -0.44 0.00 0.00 54.58 53.62 3hbb n ASN 468 Cb 0.15 -0.08 0.02 0.00 -2.53 0.00 0.00 39.78 37.34 3hbb n ASN 468 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 3hbb n HIS 469 N -1.08 0.00 -0.18 -2.53 8.25 -0.12 -4.66 115.22 114.89 3hbb n HIS 469 Ca 0.17 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.56 3hbb n HIS 469 Cb 0.12 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.25 3hbb n HIS 469 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hbb h VAL 470 N 1.59 1.17 0.26 1.59 2.07 -1.32 0.10 116.25 121.70 3hbb h VAL 470 Ca 0.00 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3hbb h VAL 470 Cb 0.38 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hbb h VAL 470 CO 0.00 0.18 -0.12 -0.33 0.02 0.00 0.00 177.57 177.31 3hbb h GLU 471 N 0.72 -0.33 -0.52 1.57 5.08 -1.83 -1.57 114.58 117.70 3hbb h GLU 471 Ca 0.19 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 3hbb h GLU 471 Cb 0.01 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 3hbb h GLU 471 CO -0.03 -0.06 0.15 -1.35 -1.00 0.00 0.00 179.01 176.72 3hbb h PRO 472 N -0.60 0.29 -0.83 2.33 0.11 -1.83 -2.62 132.00 128.85 3hbb h PRO 472 Ca -0.04 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.16 3hbb h PRO 472 Cb 0.43 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.40 3hbb h PRO 472 CO 0.06 0.19 0.47 0.00 -0.21 0.00 0.00 178.00 178.51 3hbb h ASN 474 N 0.78 0.50 0.00 0.00 2.35 -0.91 0.21 115.58 118.52 3hbb h ASN 474 Ca 0.41 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.92 3hbb h ASN 474 Cb 0.39 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.65 3hbb h ASN 474 CO -0.26 0.36 -0.85 -0.33 -1.65 0.00 0.00 177.43 174.70 3hbb h GLU 475 N 0.59 0.67 -0.20 0.81 4.39 -1.08 -3.19 114.58 116.57 3hbb h GLU 475 Ca 0.18 -0.61 -0.06 0.00 0.34 0.00 0.00 59.36 59.21 3hbb h GLU 475 Cb 0.01 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3hbb h GLU 475 CO -0.04 1.21 -0.15 0.37 -1.16 0.00 0.00 179.01 179.24 3hbb h GLN 476 N 0.43 0.34 0.00 2.33 4.15 -0.36 -2.46 115.11 119.54 3hbb h GLN 476 Ca -0.07 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 3hbb h GLN 476 Cb 1.48 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 29.13 3hbb h GLN 476 CO 0.17 0.49 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.46 3hbb h LEU 477 N 0.32 0.00 -1.00 -2.39 3.38 -0.63 -2.05 115.31 112.94 3hbb h LEU 477 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hbb h LEU 477 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hbb h LEU 477 CO 0.03 0.02 -0.21 0.11 0.09 0.00 0.00 178.44 178.49 3hbb h LYS 478 N 0.00 0.00 -6.95 1.13 1.57 -1.43 -3.45 116.57 107.44 3hbb h LYS 478 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3hbb h LYS 478 Cb 0.47 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.83 3hbb h LYS 478 CO 0.00 0.21 0.50 1.03 -0.57 0.00 0.00 179.45 180.62 3hbb s ARG 479 N -3.57 4.04 -0.24 3.15 0.52 -0.77 -5.02 118.95 117.06 3hbb s ARG 479 Ca 0.01 1.82 -0.14 0.00 -0.52 0.00 0.00 55.73 56.91 3hbb s ARG 479 Cb 0.10 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 3hbb s ARG 479 CO 0.64 -0.32 0.32 0.08 0.02 0.00 0.00 175.30 176.03 3hbb s VAL 480 N -1.43 5.23 0.24 3.52 1.01 -1.26 -5.04 120.40 122.67 3hbb s VAL 480 Ca 0.57 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 3hbb s VAL 480 Cb -0.30 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 3hbb s VAL 480 CO 0.38 0.23 1.47 -2.84 0.00 0.00 0.00 175.10 174.34 3hbb s PRO 481 N 1.62 4.24 0.62 2.72 0.02 -1.26 -4.92 135.00 138.05 3hbb s PRO 481 Ca 0.14 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3hbb s PRO 481 Cb -0.15 -3.11 0.07 0.00 0.02 0.00 0.00 34.50 31.33 3hbb s PRO 481 CO 0.08 -0.47 0.86 1.03 -0.33 0.00 0.00 177.00 178.18 3hbb s ARG 482 N -0.16 2.24 0.44 5.54 0.52 -1.26 -4.55 118.95 121.71 3hbb s ARG 482 Ca 0.61 -0.85 -0.22 0.00 -0.52 0.00 0.00 55.73 54.75 3hbb s ARG 482 Cb -0.43 -2.41 -0.09 0.00 0.52 0.00 0.00 34.95 32.54 3hbb s ARG 482 CO 0.42 -0.99 1.05 0.00 0.02 0.00 0.00 175.30 175.80 3hbb s ALA 483 N -2.92 2.99 0.51 2.13 0.00 -1.26 -4.79 121.76 118.41 3hbb s ALA 483 Ca 0.60 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 3hbb s ALA 483 Cb -0.09 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 3hbb s ALA 483 CO 0.41 -0.29 1.17 -0.06 0.00 0.00 0.00 175.76 176.99 3hbb s PHE 484 N -1.79 2.70 0.19 0.00 0.08 -1.26 -4.79 117.98 113.12 3hbb s PHE 484 Ca 0.62 1.53 -0.03 0.00 0.12 0.00 0.00 56.93 59.17 3hbb s PHE 484 Cb -0.20 -3.39 0.04 0.00 -0.57 0.00 0.00 43.02 38.91 3hbb s PHE 484 CO 0.25 -1.70 0.23 -0.35 -0.10 0.00 0.00 175.22 173.54 3hbb n PRO 485 N -0.95 -0.57 -4.22 0.24 -0.04 -1.21 -4.82 135.00 123.42 3hbb n PRO 485 Ca 0.10 -0.35 -0.20 0.00 -0.04 0.00 0.00 63.50 63.00 3hbb n PRO 485 Cb 0.49 -0.26 -0.12 0.00 -0.04 0.00 0.00 33.50 33.57 3hbb n PRO 485 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3hbb s TYR 486 N -1.47 1.37 -0.27 0.54 2.02 -0.83 -0.98 117.35 117.73 3hbb s TYR 486 Ca 0.13 -0.44 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 3hbb s TYR 486 Cb -0.01 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 3hbb s TYR 486 CO 0.10 0.09 0.11 -1.17 -1.57 0.00 0.00 175.55 173.11 3hbb s LEU 487 N -1.72 3.71 -0.15 -1.29 2.96 -0.32 -0.33 118.68 121.54 3hbb s LEU 487 Ca 0.01 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3hbb s LEU 487 Cb -0.10 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3hbb s LEU 487 CO 0.03 -0.07 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.21 3hbb s VAL 488 N 1.64 3.39 -0.33 1.68 1.01 0.25 -4.79 120.40 123.26 3hbb s VAL 488 Ca 0.06 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 3hbb s VAL 488 Cb -0.16 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3hbb s VAL 488 CO 0.06 0.50 0.70 -0.36 0.00 0.00 0.00 175.10 176.00 3hbb s PHE 489 N 0.49 3.17 0.00 5.22 0.40 -1.26 -0.23 117.98 125.77 3hbb s PHE 489 Ca -0.07 0.56 0.11 0.00 -0.60 0.00 0.00 56.93 56.93 3hbb s PHE 489 Cb -0.15 -3.17 -0.22 0.00 0.51 0.00 0.00 43.02 39.99 3hbb s PHE 489 CO 0.04 -0.60 0.87 0.00 0.70 0.00 0.00 175.22 176.23 3hbb h ARG 490 N 8.32 0.00 -4.11 0.44 2.47 -1.40 -3.47 114.38 116.63 3hbb h ARG 490 Ca -0.26 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.32 3hbb h ARG 490 Cb 1.11 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.25 3hbb h ARG 490 CO 0.85 0.64 -0.68 -0.98 0.56 0.00 0.00 179.97 180.37 3hbb s ARG 491 N -2.64 0.48 0.35 0.04 1.70 -1.07 -5.07 118.95 112.74 3hbb s ARG 491 Ca -0.03 -0.94 0.07 0.00 -0.47 0.00 0.00 55.73 54.37 3hbb s ARG 491 Cb 0.09 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 3hbb s ARG 491 CO 0.82 -0.09 0.32 -1.21 -1.08 0.00 0.00 175.30 174.07 3hbb s GLU 492 N -2.82 2.74 0.13 3.89 0.41 -1.26 -4.85 118.70 116.94 3hbb s GLU 492 Ca -0.03 -1.30 0.07 0.00 -0.41 0.00 0.00 54.97 53.30 3hbb s GLU 492 Cb -0.00 -2.50 -0.04 0.00 -1.78 0.00 0.00 34.13 29.81 3hbb s GLU 492 CO -0.06 0.05 -0.16 1.03 -0.49 0.00 0.00 175.26 175.63 3hbb s ARG 493 N -4.03 1.10 0.26 1.61 1.81 -1.26 -5.04 118.95 113.40 3hbb s ARG 493 Ca 0.42 -1.26 0.04 0.00 -1.72 0.00 0.00 55.73 53.21 3hbb s ARG 493 Cb -0.06 -1.09 0.35 0.00 -0.45 0.00 0.00 34.95 33.71 3hbb s ARG 493 CO 0.27 0.22 1.65 1.49 -0.68 0.00 0.00 175.30 178.25 3hbb h GLU 494 N 3.56 0.34 -6.34 3.54 4.57 -1.95 -3.42 114.58 114.87 3hbb h GLU 494 Ca -0.41 -0.17 -0.60 0.00 -1.18 0.00 0.00 59.36 57.00 3hbb h GLU 494 Cb 1.20 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 29.59 3hbb h GLU 494 CO 0.49 0.72 -0.82 -0.06 -1.18 0.00 0.00 179.01 178.15 3hbb s PHE 495 N -4.12 2.02 0.16 0.92 0.08 -1.26 -1.39 117.98 114.39 3hbb s PHE 495 Ca -0.05 -0.41 -0.14 0.00 0.12 0.00 0.00 56.93 56.44 3hbb s PHE 495 Cb 0.13 -1.05 0.05 0.00 -0.57 0.00 0.00 43.02 41.58 3hbb s PHE 495 CO 0.79 0.34 1.79 1.25 -0.10 0.00 0.00 175.22 179.30 3hbb h LEU 496 N 3.57 0.62 -1.43 -0.37 5.85 -0.53 -2.47 115.31 120.56 3hbb h LEU 496 Ca -0.46 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3hbb h LEU 496 Cb 1.19 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3hbb h LEU 496 CO 0.45 0.50 0.00 -0.33 -0.34 0.00 0.00 178.44 178.72 3hbb h GLU 497 N 0.68 0.00 -0.01 1.25 3.07 -1.92 -2.98 114.58 114.68 3hbb h GLU 497 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3hbb h GLU 497 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3hbb h GLU 497 CO -0.03 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.33 3hbb n ASP 498 N -2.53 0.54 -4.76 1.42 8.00 -0.93 -4.89 116.55 113.39 3hbb n ASP 498 Ca -0.00 -1.19 -0.40 0.00 0.71 0.00 0.00 54.79 53.91 3hbb n ASP 498 Cb 0.16 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 3hbb n ASP 498 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hbb s TYR 499 N -2.00 3.58 0.15 1.24 2.02 -1.13 -4.96 117.35 116.25 3hbb s TYR 499 Ca 0.44 1.70 0.10 0.00 -0.37 0.00 0.00 57.07 58.94 3hbb s TYR 499 Cb 0.21 -3.28 -0.04 0.00 -0.40 0.00 0.00 41.96 38.46 3hbb s TYR 499 CO 0.35 -0.54 -0.22 -1.21 -1.57 0.00 0.00 175.55 172.37 3hbb s GLU 500 N -1.48 1.32 0.52 -0.62 2.02 -1.26 -4.99 118.70 114.22 3hbb s GLU 500 Ca 0.45 -1.37 0.23 0.00 0.02 0.00 0.00 54.97 54.30 3hbb s GLU 500 Cb -0.32 -1.57 1.35 0.00 0.10 0.00 0.00 34.13 33.69 3hbb s GLU 500 CO 0.41 0.35 2.02 1.49 0.02 0.00 0.00 175.26 179.54 3hbb h GLU 501 N 3.55 0.03 0.00 1.61 4.22 -1.95 0.57 114.58 122.61 3hbb h GLU 501 Ca -0.46 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.98 3hbb h GLU 501 Cb 1.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hbb h GLU 501 CO 0.45 0.02 0.00 0.41 -2.18 0.00 0.00 179.01 177.71 3hbb n GLY 502 N -1.62 -1.18 0.12 1.92 0.00 -1.26 -3.26 105.19 99.92 3hbb n GLY 502 Ca 0.08 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3hbb n GLY 502 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hbb h ASP 503 N 0.00 0.00 -4.48 1.61 3.32 -1.23 -3.47 116.42 112.18 3hbb h ASP 503 Ca 0.00 -0.03 -0.41 0.00 0.02 0.00 0.00 57.03 56.61 3hbb h ASP 503 Cb 0.31 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.64 3hbb h ASP 503 CO 0.00 0.02 -0.78 0.00 -1.72 0.00 0.00 179.24 176.76 3hbb s MET 504 N -3.13 0.82 -0.07 3.56 0.23 -1.20 -0.93 119.30 118.57 3hbb s MET 504 Ca 0.09 -0.95 0.01 0.00 -1.03 0.00 0.00 55.69 53.82 3hbb s MET 504 Cb 0.11 -0.83 0.02 0.00 -1.53 0.00 0.00 34.83 32.60 3hbb s MET 504 CO 0.63 0.18 -0.10 -2.00 -2.03 0.00 0.00 175.02 171.71 3hbb s GLU 505 N -1.72 1.48 -0.44 3.16 2.12 0.68 -4.95 118.70 119.03 3hbb s GLU 505 Ca -0.02 -0.31 -0.24 0.00 0.36 0.00 0.00 54.97 54.76 3hbb s GLU 505 Cb -0.10 -1.33 0.02 0.00 0.26 0.00 0.00 34.13 32.98 3hbb s GLU 505 CO 0.02 -0.06 0.85 0.08 -0.54 0.00 0.00 175.26 175.61 3hbb s VAL 506 N 0.97 4.58 -0.15 3.70 1.01 -1.26 -0.58 120.40 128.67 3hbb s VAL 506 Ca -0.09 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 3hbb s VAL 506 Cb -0.15 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 3hbb s VAL 506 CO 0.00 -0.72 0.13 0.27 0.00 0.00 0.00 175.10 174.78 3hbb s ILE 507 N 3.48 5.38 -1.02 2.22 -4.36 0.55 -4.52 121.20 122.93 3hbb s ILE 507 Ca 0.34 0.17 -0.06 0.00 -0.26 0.00 0.00 60.65 60.83 3hbb s ILE 507 Cb -0.11 -3.39 0.01 0.00 1.25 0.00 0.00 42.46 40.22 3hbb s ILE 507 CO 0.23 0.54 0.89 0.47 0.24 0.00 0.00 174.94 177.31 3hbb n ASP 508 N 2.67 -5.02 -4.57 4.36 8.00 -1.26 -1.96 116.55 118.78 3hbb n ASP 508 Ca -0.18 -0.41 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 3hbb n ASP 508 Cb 0.54 -3.93 -0.06 0.00 -0.02 0.00 0.00 41.12 37.64 3hbb n ASP 508 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3hbb s TYR 509 N -3.24 3.10 -0.57 1.24 5.04 -1.26 -4.36 117.35 117.29 3hbb s TYR 509 Ca 0.40 0.38 0.06 0.00 -2.44 0.00 0.00 57.07 55.48 3hbb s TYR 509 Cb -0.18 -3.37 0.24 0.00 0.35 0.00 0.00 41.96 39.00 3hbb s TYR 509 CO 0.55 -0.76 0.67 0.00 -1.34 0.00 0.00 175.55 174.67 3hbb n ALA 510 N 6.36 3.59 -1.62 3.97 0.00 -1.26 -5.08 120.51 126.46 3hbb n ALA 510 Ca 0.01 -4.37 -0.31 0.00 0.00 0.00 0.00 53.44 48.78 3hbb n ALA 510 Cb 0.48 -0.88 0.06 0.00 0.00 0.00 0.00 19.45 19.11 3hbb n ALA 510 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hbb s PRO 511 N -2.04 2.75 0.52 0.00 0.04 -1.26 -4.94 135.00 130.06 3hbb s PRO 511 Ca 0.38 0.79 -0.21 0.00 0.04 0.00 0.00 61.00 62.01 3hbb s PRO 511 Cb 0.14 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 3hbb s PRO 511 CO -0.05 -1.19 1.14 0.71 0.04 0.00 0.00 177.00 177.65 3hbb s TYR 512 N -3.12 2.75 0.78 0.56 1.51 0.39 -4.94 117.35 115.27 3hbb s TYR 512 Ca 0.59 1.54 -0.13 0.00 -1.01 0.00 0.00 57.07 58.06 3hbb s TYR 512 Cb -0.14 -3.31 0.07 0.00 -0.11 0.00 0.00 41.96 38.47 3hbb s TYR 512 CO 0.54 -1.52 1.17 -2.14 -1.11 0.00 0.00 175.55 172.49 3hbb s PRO 513 N -3.10 1.91 0.61 -1.71 0.02 -1.26 -4.19 135.00 127.27 3hbb s PRO 513 Ca 0.70 1.60 -0.18 0.00 0.02 0.00 0.00 61.00 63.14 3hbb s PRO 513 Cb -0.25 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3hbb s PRO 513 CO 0.29 -1.98 1.18 -1.25 -0.33 0.00 0.00 177.00 174.92 3hbb s PRO 514 N -4.24 2.93 0.00 5.54 0.04 -1.26 -4.98 135.00 133.04 3hbb s PRO 514 Ca 0.70 1.74 0.15 0.00 0.04 0.00 0.00 61.00 63.62 3hbb s PRO 514 Cb -0.25 -1.93 0.87 0.00 0.04 0.00 0.00 34.50 33.22 3hbb s PRO 514 CO 0.50 -1.21 1.29 -0.89 0.04 0.00 0.00 177.00 176.72