#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbb n SER 2 N 0.00 3.14 -0.04 0.00 2.88 -1.26 -4.71 113.62 113.63 3hbb n SER 2 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 3hbb n SER 2 Cb 0.00 0.47 0.75 0.00 -0.75 0.00 0.00 64.21 64.68 3hbb n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hbb n LEU 3 N -1.19 0.17 -0.73 2.46 7.99 -1.26 -2.91 117.00 121.54 3hbb n LEU 3 Ca 0.00 0.13 0.13 0.00 -0.01 0.00 0.00 56.01 56.26 3hbb n LEU 3 Cb 0.15 -0.19 0.23 0.00 -0.11 0.00 0.00 43.42 43.50 3hbb n LEU 3 CO 0.00 0.03 0.66 0.49 -1.51 0.00 0.00 177.39 177.06 3hbb n PHE 4 N -1.10 0.00 -2.32 -1.77 3.72 -1.26 -4.97 117.46 109.76 3hbb n PHE 4 Ca 0.16 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.30 3hbb n PHE 4 Cb 0.23 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.81 3hbb n PHE 4 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hbb s LYS 5 N -2.08 2.57 -0.19 -1.08 1.02 -1.14 -5.05 119.74 113.78 3hbb s LYS 5 Ca 0.30 -0.16 -0.19 0.00 0.02 0.00 0.00 55.97 55.94 3hbb s LYS 5 Cb 0.20 -2.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 3hbb s LYS 5 CO 0.35 -0.95 0.54 0.42 -0.92 0.00 0.00 175.35 174.80 3hbb s ILE 6 N -3.10 5.09 -0.17 2.17 -1.09 -1.26 -5.01 121.20 117.83 3hbb s ILE 6 Ca 0.57 1.01 -0.20 0.00 -2.23 0.00 0.00 60.65 59.80 3hbb s ILE 6 Cb -0.11 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 3hbb s ILE 6 CO 0.45 0.17 0.59 -0.60 -1.23 0.00 0.00 174.94 174.32 3hbb s ARG 7 N 1.61 4.26 0.14 2.79 3.52 -1.26 -1.05 118.95 128.96 3hbb s ARG 7 Ca 0.25 0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 56.14 3hbb s ARG 7 Cb -0.16 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.63 3hbb s ARG 7 CO 0.10 -0.12 1.08 -1.64 -0.81 0.00 0.00 175.30 173.91 3hbb s MET 8 N 1.50 4.59 0.80 5.12 -1.94 0.16 -4.92 119.30 124.61 3hbb s MET 8 Ca 0.29 1.66 -0.12 0.00 -1.71 0.00 0.00 55.69 55.81 3hbb s MET 8 Cb -0.16 -3.31 0.07 0.00 2.01 0.00 0.00 34.83 33.44 3hbb s MET 8 CO 0.11 0.06 1.10 -1.25 -0.01 0.00 0.00 175.02 175.03 3hbb s PRO 9 N -0.06 2.06 0.54 2.03 0.04 -1.26 -4.93 135.00 133.42 3hbb s PRO 9 Ca 0.50 0.58 0.26 0.00 0.04 0.00 0.00 61.00 62.38 3hbb s PRO 9 Cb -0.28 -1.92 1.42 0.00 0.04 0.00 0.00 34.50 33.76 3hbb s PRO 9 CO 0.33 -1.62 1.98 1.05 0.04 0.00 0.00 177.00 178.78 3hbb h GLU 10 N -1.09 0.00 -3.78 4.56 9.09 -1.96 -3.17 114.58 118.24 3hbb h GLU 10 Ca -0.47 0.00 -0.79 0.00 0.05 0.00 0.00 59.36 58.15 3hbb h GLU 10 Cb 1.27 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 28.11 3hbb h GLU 10 CO 0.60 0.00 0.64 0.25 0.05 0.00 0.00 179.01 180.55 3hbb n THR 11 N -4.33 4.53 -0.03 -1.06 -2.24 -1.26 -4.71 114.28 105.18 3hbb n THR 11 Ca 0.10 -5.27 -0.06 0.00 -2.27 0.00 0.00 64.05 56.56 3hbb n THR 11 Cb 0.64 -2.56 -0.03 0.00 -2.10 0.00 0.00 70.33 66.29 3hbb n THR 11 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3hbb n VAL 12 N 3.02 0.38 0.06 2.28 3.14 -1.20 -4.39 118.33 121.62 3hbb n VAL 12 Ca 0.27 -0.12 -0.14 0.00 -2.96 0.00 0.00 64.34 61.38 3hbb n VAL 12 Cb 0.40 -1.11 -0.05 0.00 -1.06 0.00 0.00 33.84 32.01 3hbb n VAL 12 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hbb h ALA 13 N -0.11 0.35 0.00 1.55 0.00 -1.89 -3.25 119.26 115.91 3hbb h ALA 13 Ca -0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.02 3hbb h ALA 13 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hbb h ALA 13 CO -0.06 0.80 -0.14 1.05 0.00 0.00 0.00 179.25 180.90 3hbb h GLU 14 N 0.25 0.00 -0.71 0.00 -0.00 -1.92 0.99 114.58 113.19 3hbb h GLU 14 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 3hbb h GLU 14 Cb 1.58 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 30.29 3hbb h GLU 14 CO 0.17 0.14 0.40 0.78 -0.00 0.00 0.00 179.01 180.49 3hbb h GLY 15 N 0.62 1.05 -1.71 1.06 0.00 -1.82 -3.32 103.07 98.95 3hbb h GLY 15 Ca -0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3hbb h GLY 15 CO 0.02 0.44 -0.67 -1.30 0.00 0.00 0.00 176.54 175.02 3hbb n THR 16 N -4.37 1.09 -2.37 4.70 -2.24 -0.80 -4.71 114.28 105.58 3hbb n THR 16 Ca 0.07 -1.96 -0.42 0.00 -2.27 0.00 0.00 64.05 59.47 3hbb n THR 16 Cb 0.09 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3hbb n THR 16 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3hbb s ARG 17 N -1.61 4.39 -0.44 -0.78 3.52 0.28 -4.58 118.95 119.73 3hbb s ARG 17 Ca 0.32 1.82 -0.29 0.00 -0.13 0.00 0.00 55.73 57.45 3hbb s ARG 17 Cb 0.34 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 30.37 3hbb s ARG 17 CO -0.09 -0.34 1.23 -1.17 -0.81 0.00 0.00 175.30 174.12 3hbb s LEU 18 N 1.34 3.64 0.05 -0.88 2.96 -1.26 -4.92 118.68 119.61 3hbb s LEU 18 Ca 0.60 0.63 -0.21 0.00 -0.22 0.00 0.00 54.13 54.93 3hbb s LEU 18 Cb -0.30 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.72 3hbb s LEU 18 CO 0.28 -1.29 1.48 0.00 -1.32 0.00 0.00 176.35 175.50 3hbb h ALA 19 N 9.64 0.20 -3.58 5.97 0.00 -1.94 -3.45 119.26 126.09 3hbb h ALA 19 Ca -0.24 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.17 3hbb h ALA 19 Cb 1.08 -0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.56 3hbb h ALA 19 CO 1.11 -0.09 -0.74 -0.51 0.00 0.00 0.00 179.25 179.01 3hbb s LEU 20 N -9.49 2.11 0.17 0.00 1.43 -1.26 -4.24 118.68 107.40 3hbb s LEU 20 Ca -0.14 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 3hbb s LEU 20 Cb 0.06 -0.20 -0.08 0.00 0.03 0.00 0.00 46.19 45.99 3hbb s LEU 20 CO 0.72 -0.05 0.71 -0.60 0.23 0.00 0.00 176.35 177.35 3hbb s ARG 21 N -0.72 4.33 0.43 1.70 6.06 -0.63 -4.95 118.95 125.18 3hbb s ARG 21 Ca -0.03 0.92 -0.23 0.00 -2.50 0.00 0.00 55.73 53.88 3hbb s ARG 21 Cb -0.05 -3.07 -0.08 0.00 0.06 0.00 0.00 34.95 31.81 3hbb s ARG 21 CO 0.00 0.50 1.13 0.00 -2.50 0.00 0.00 175.30 174.43 3hbb s ALA 22 N -1.33 3.03 0.05 6.12 0.00 -1.26 -4.91 121.76 123.46 3hbb s ALA 22 Ca 0.38 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.15 3hbb s ALA 22 Cb -0.19 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3hbb s ALA 22 CO 0.22 -0.51 0.08 -0.59 0.00 0.00 0.00 175.76 174.97 3hbb s PHE 23 N -1.57 0.25 0.41 0.00 -0.71 -0.84 -4.38 117.98 111.15 3hbb s PHE 23 Ca 0.61 -0.61 0.08 0.00 -1.04 0.00 0.00 56.93 55.97 3hbb s PHE 23 Cb -0.27 -0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.36 3hbb s PHE 23 CO 0.33 -0.39 0.47 -1.12 -1.34 0.00 0.00 175.22 173.17 3hbb s SER 24 N -2.33 5.38 -0.00 1.98 0.01 0.33 -0.85 113.70 118.22 3hbb s SER 24 Ca -0.02 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 56.73 3hbb s SER 24 Cb 0.01 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.57 3hbb s SER 24 CO -0.06 -0.68 -0.15 -0.22 0.41 0.00 0.00 173.24 172.54 3hbb s LEU 25 N -4.23 2.05 -0.10 2.44 0.20 0.24 -1.23 118.68 118.05 3hbb s LEU 25 Ca 0.51 -0.30 -0.01 0.00 0.69 0.00 0.00 54.13 55.01 3hbb s LEU 25 Cb -0.07 -0.74 0.03 0.00 -0.43 0.00 0.00 46.19 44.98 3hbb s LEU 25 CO 0.30 0.16 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.80 3hbb s VAL 26 N -0.44 0.70 0.03 1.68 1.01 -0.99 -0.37 120.40 122.02 3hbb s VAL 26 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 3hbb s VAL 26 Cb -0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3hbb s VAL 26 CO -0.00 0.26 0.05 0.54 0.00 0.00 0.00 175.10 175.95 3hbb s VAL 27 N 1.83 0.12 -0.04 2.92 0.11 -0.45 -4.53 120.40 120.37 3hbb s VAL 27 Ca 0.04 -1.03 0.05 0.00 -2.93 0.00 0.00 61.98 58.11 3hbb s VAL 27 Cb -0.13 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 3hbb s VAL 27 CO -0.07 -0.56 -0.17 0.00 -3.33 0.00 0.00 175.10 170.97 3hbb s ALA 28 N -2.12 2.54 0.05 1.54 0.00 -1.26 -0.73 121.76 121.79 3hbb s ALA 28 Ca -0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 3hbb s ALA 28 Cb -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3hbb s ALA 28 CO -0.03 0.55 0.04 0.14 0.00 0.00 0.00 175.76 176.46 3hbb s VAL 29 N -0.71 0.18 0.65 0.00 -7.23 0.13 -4.60 120.40 108.81 3hbb s VAL 29 Ca 0.11 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3hbb s VAL 29 Cb -0.10 -1.25 0.13 0.00 0.56 0.00 0.00 36.38 35.71 3hbb s VAL 29 CO 0.00 -0.81 0.89 -0.90 -0.31 0.00 0.00 175.10 173.98 3hbb n ASP 30 N 0.33 1.07 0.30 4.85 5.68 -0.79 0.16 116.55 128.15 3hbb n ASP 30 Ca -0.16 -1.93 0.19 0.00 -0.50 0.00 0.00 54.79 52.38 3hbb n ASP 30 Cb 0.60 -0.59 0.89 0.00 -1.14 0.00 0.00 41.12 40.89 3hbb n ASP 30 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hbb h GLU 31 N 0.00 0.00 -0.20 0.11 5.08 -1.55 0.68 114.58 118.70 3hbb h GLU 31 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3hbb h GLU 31 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3hbb h GLU 31 CO 0.30 0.02 0.00 0.54 -1.00 0.00 0.00 179.01 178.87 3hbb n ARG 32 N -3.17 1.87 -0.87 2.33 1.74 -1.26 -4.94 116.66 112.36 3hbb n ARG 32 Ca -0.01 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 3hbb n ARG 32 Cb 0.21 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 3hbb n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hbb n GLY 33 N 1.20 1.09 3.77 -0.13 0.00 0.23 -4.91 105.19 106.43 3hbb n GLY 33 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.94 2.91 -0.01 -0.02 0.00 -1.26 -0.31 107.32 106.69 3hbb s GLY 34 Ca 0.00 1.22 0.08 0.00 0.00 0.00 0.00 44.72 46.02 3hbb s GLY 34 CO 0.00 1.80 0.17 0.29 0.00 0.00 0.00 173.10 175.36 3hbb n ILE 35 N 0.02 0.00 -0.97 0.90 -6.64 0.04 -1.89 119.36 110.83 3hbb n ILE 35 Ca 0.04 -0.18 0.00 0.00 -1.77 0.00 0.00 62.75 60.84 3hbb n ILE 35 Cb 0.44 0.31 0.00 0.00 -1.44 0.00 0.00 39.64 38.95 3hbb n ILE 35 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3hbb n GLY 36 N 2.06 -1.98 1.20 3.28 0.00 -1.23 -4.71 105.19 103.80 3hbb n GLY 36 Ca -0.02 -1.16 0.09 0.00 0.00 0.00 0.00 46.02 44.93 3hbb n GLY 36 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hbb n ASP 37 N 1.81 3.48 0.00 1.61 5.75 -1.20 -1.86 116.55 126.14 3hbb n ASP 37 Ca 0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 3hbb n ASP 37 Cb 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3hbb n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hbb n GLY 38 N 1.34 1.01 1.14 6.12 0.00 -1.26 -4.76 105.19 108.78 3hbb n GLY 38 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 0.00 -4.66 1.61 5.12 -1.26 -5.03 116.66 110.44 3hbb n ARG 39 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 3hbb n ARG 39 Cb 0.00 -0.02 -0.10 0.00 -1.16 0.00 0.00 32.46 31.18 3hbb n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3hbb s SER 40 N -4.90 3.95 -0.24 0.55 1.04 -1.26 -4.71 113.70 108.12 3hbb s SER 40 Ca 0.00 -1.45 -0.17 0.00 0.48 0.00 0.00 55.95 54.81 3hbb s SER 40 Cb 0.00 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 3hbb s SER 40 CO 0.00 -0.56 0.48 -0.51 0.98 0.00 0.00 173.24 173.63 3hbb s ILE 41 N -2.76 5.11 0.04 -1.02 2.07 -1.26 -3.27 121.20 120.11 3hbb s ILE 41 Ca 0.27 0.83 -0.26 0.00 -1.41 0.00 0.00 60.65 60.08 3hbb s ILE 41 Cb 0.08 -3.80 -0.17 0.00 0.13 0.00 0.00 42.46 38.70 3hbb s ILE 41 CO 0.14 0.13 1.47 -0.65 -1.91 0.00 0.00 174.94 174.13 3hbb h PRO 42 N 7.86 -0.22 -6.82 3.50 0.11 -1.97 -3.45 132.00 131.00 3hbb h PRO 42 Ca -0.31 0.02 -0.50 0.00 0.11 0.00 0.00 66.00 65.32 3hbb h PRO 42 Cb 1.15 0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hbb h PRO 42 CO 0.71 0.01 0.07 1.67 -0.21 0.00 0.00 178.00 180.26 3hbb s TRP 43 N -5.30 3.51 -0.37 0.65 -2.14 -1.26 -5.07 118.94 108.96 3hbb s TRP 43 Ca -0.15 0.89 0.02 0.00 2.66 0.00 0.00 56.10 59.53 3hbb s TRP 43 Cb 0.04 -2.34 0.10 0.00 -3.10 0.00 0.00 33.47 28.17 3hbb s TRP 43 CO 0.63 -0.13 0.10 1.21 -2.66 0.00 0.00 176.95 176.10 3hbb s ASN 44 N -3.52 4.87 -0.42 -2.66 2.47 -1.26 -5.05 114.94 109.37 3hbb s ASN 44 Ca 0.49 -2.17 0.02 0.00 0.42 0.00 0.00 52.86 51.61 3hbb s ASN 44 Cb -0.10 -1.68 0.13 0.00 -1.45 0.00 0.00 41.25 38.15 3hbb s ASN 44 CO 0.36 -0.41 0.21 -0.69 -3.72 0.00 0.00 177.10 172.85 3hbb s VAL 45 N 0.90 1.43 0.57 -5.21 1.01 -1.26 -4.83 120.40 113.01 3hbb s VAL 45 Ca 0.11 -2.41 0.27 0.00 0.00 0.00 0.00 61.98 59.95 3hbb s VAL 45 Cb -0.20 -2.02 0.38 0.00 0.00 0.00 0.00 36.38 34.54 3hbb s VAL 45 CO -0.07 -0.84 2.00 -0.65 0.00 0.00 0.00 175.10 175.54 3hbb h PRO 46 N 6.97 0.00 0.00 2.72 0.11 -1.97 -0.45 132.00 139.38 3hbb h PRO 46 Ca -0.04 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 3hbb h PRO 46 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 3hbb h PRO 46 CO 0.49 0.00 -0.63 0.93 -0.21 0.00 0.00 178.00 178.58 3hbb h GLU 47 N 0.00 0.00 -0.30 1.05 3.07 -1.95 -1.92 114.58 114.53 3hbb h GLU 47 Ca 0.19 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.89 3hbb h GLU 47 Cb 0.90 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3hbb h GLU 47 CO -0.00 0.63 -0.43 0.22 -1.40 0.00 0.00 179.01 178.03 3hbb h ASP 48 N 0.00 0.90 -0.47 1.42 3.58 -1.52 -2.62 116.42 117.71 3hbb h ASP 48 Ca -0.01 -0.51 0.05 0.00 0.42 0.00 0.00 57.03 56.99 3hbb h ASP 48 Cb 1.21 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.96 3hbb h ASP 48 CO 0.08 1.23 0.21 0.24 -2.88 0.00 0.00 179.24 178.13 3hbb h MET 49 N 0.60 0.40 -0.42 0.28 2.86 -1.29 0.14 114.93 117.51 3hbb h MET 49 Ca 0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3hbb h MET 49 Cb 1.03 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 3hbb h MET 49 CO 0.10 0.27 0.17 -0.22 1.06 0.00 0.00 176.91 178.29 3hbb h LYS 50 N 0.42 0.63 -0.03 1.72 3.64 -1.38 -1.32 116.57 120.24 3hbb h LYS 50 Ca 0.21 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3hbb h LYS 50 Cb 0.16 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3hbb h LYS 50 CO -0.18 0.58 -0.02 0.35 -2.27 0.00 0.00 179.45 177.91 3hbb h PHE 51 N 0.54 -0.06 -0.69 1.91 3.57 -1.17 -1.52 116.94 119.51 3hbb h PHE 51 Ca 0.14 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3hbb h PHE 51 Cb 0.19 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3hbb h PHE 51 CO 0.00 -0.04 0.41 0.35 -2.23 0.00 0.00 178.31 176.80 3hbb h PHE 52 N -0.03 0.75 -0.61 0.41 3.57 -0.51 0.51 116.94 121.03 3hbb h PHE 52 Ca 0.02 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 3hbb h PHE 52 Cb 0.06 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3hbb h PHE 52 CO -0.11 0.38 0.01 -0.09 -2.23 0.00 0.00 178.31 176.26 3hbb h ARG 53 N 0.76 1.07 0.12 1.11 2.43 -1.10 -2.87 114.38 115.91 3hbb h ARG 53 Ca 0.30 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hbb h ARG 53 Cb 0.14 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3hbb h ARG 53 CO -0.16 1.04 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.84 3hbb h ASP 54 N 0.97 -0.14 -0.33 -3.80 3.32 -0.36 -1.30 116.42 114.78 3hbb h ASP 54 Ca 0.17 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.97 3hbb h ASP 54 Cb 0.55 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3hbb h ASP 54 CO 0.03 0.25 0.23 1.62 -1.72 0.00 0.00 179.24 179.64 3hbb h VAL 55 N -0.54 0.96 0.00 -1.35 3.04 -0.99 -2.30 116.25 115.06 3hbb h VAL 55 Ca -0.02 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3hbb h VAL 55 Cb 0.43 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3hbb h VAL 55 CO 0.03 0.04 -1.31 0.35 -1.01 0.00 0.00 177.57 175.67 3hbb n THR 56 N -4.48 0.41 -0.10 3.17 -2.24 -1.08 -4.52 114.28 105.43 3hbb n THR 56 Ca 0.04 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 3hbb n THR 56 Cb 0.23 -0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.14 3hbb n THR 56 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hbb n THR 57 N -2.52 1.57 -1.77 4.28 -1.04 -0.50 -4.67 114.28 109.62 3hbb n THR 57 Ca -0.01 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 61.17 3hbb n THR 57 Cb 0.55 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 3hbb n THR 57 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hbb n LYS 58 N -3.87 2.61 -4.08 -2.82 5.02 -0.89 -4.66 118.16 109.47 3hbb n LYS 58 Ca -0.44 0.92 -0.22 0.00 -2.02 0.00 0.00 58.31 56.55 3hbb n LYS 58 Cb 0.91 -2.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.21 3hbb n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hbb s LEU 59 N -2.19 3.91 0.09 -0.35 1.43 -1.26 -4.95 118.68 115.36 3hbb s LEU 59 Ca 0.55 -0.19 -0.33 0.00 -1.03 0.00 0.00 54.13 53.13 3hbb s LEU 59 Cb -0.47 -2.44 -0.14 0.00 0.03 0.00 0.00 46.19 43.17 3hbb s LEU 59 CO 0.63 -0.05 1.51 -0.09 0.23 0.00 0.00 176.35 178.58 3hbb h ARG 60 N 1.43 -0.75 -7.10 1.70 9.65 -1.96 -3.42 114.38 113.92 3hbb h ARG 60 Ca -0.49 0.05 -0.53 0.00 -1.10 0.00 0.00 59.98 57.91 3hbb h ARG 60 Cb 1.24 0.17 0.12 0.00 -1.39 0.00 0.00 29.97 30.11 3hbb h ARG 60 CO 0.61 -0.50 0.48 0.20 2.80 0.00 0.00 179.97 183.56 3hbb s GLY 61 N -2.09 2.74 0.17 2.80 0.00 -1.26 -4.96 107.32 104.72 3hbb s GLY 61 Ca -0.16 1.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.31 3hbb s GLY 61 CO 0.56 1.44 0.97 1.25 0.00 0.00 0.00 173.10 177.32 3hbb s LYS 62 N -3.37 4.74 -1.77 2.90 2.20 -1.26 -3.82 119.74 119.36 3hbb s LYS 62 Ca 0.78 1.51 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 3hbb s LYS 62 Cb -0.32 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 3hbb s LYS 62 CO 0.35 0.31 0.00 0.09 -0.36 0.00 0.00 175.35 175.73 3hbb n ASN 63 N 2.23 -5.27 -4.61 1.43 3.02 -1.26 -4.97 115.26 105.83 3hbb n ASN 63 Ca 0.01 0.23 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 3hbb n ASN 63 Cb 0.48 -4.37 -0.04 0.00 -0.61 0.00 0.00 39.78 35.25 3hbb n ASN 63 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hbb s VAL 64 N -2.80 4.58 0.04 2.41 1.01 -1.25 -5.01 120.40 119.38 3hbb s VAL 64 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 3hbb s VAL 64 Cb 0.00 -4.34 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 3hbb s VAL 64 CO 0.00 -0.53 1.50 -0.54 0.00 0.00 0.00 175.10 175.54 3hbb s LYS 65 N 3.48 4.25 0.20 2.72 -0.14 -1.26 -4.68 119.74 124.31 3hbb s LYS 65 Ca 0.39 2.12 -0.32 0.00 -1.36 0.00 0.00 55.97 56.80 3hbb s LYS 65 Cb -0.12 -3.56 -0.11 0.00 -1.68 0.00 0.00 37.83 32.36 3hbb s LYS 65 CO 0.18 -0.63 1.66 -2.14 -0.76 0.00 0.00 175.35 173.66 3hbb s PRO 66 N 2.40 4.15 0.08 -1.68 0.02 -1.26 -4.92 135.00 133.78 3hbb s PRO 66 Ca 0.68 2.53 -0.13 0.00 0.02 0.00 0.00 61.00 64.09 3hbb s PRO 66 Cb -0.35 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.09 3hbb s PRO 66 CO 0.29 -0.69 0.31 -1.54 -0.33 0.00 0.00 177.00 175.04 3hbb s SER 67 N 1.10 -0.10 0.35 2.53 1.04 -0.94 -4.96 113.70 112.71 3hbb s SER 67 Ca 0.72 -0.33 0.21 0.00 0.48 0.00 0.00 55.95 57.03 3hbb s SER 67 Cb -0.48 0.39 1.24 0.00 0.10 0.00 0.00 66.02 67.27 3hbb s SER 67 CO 0.33 -0.71 1.41 -2.65 0.98 0.00 0.00 173.24 172.60 3hbb n PRO 68 N 0.19 -0.05 0.01 4.02 -0.02 -1.26 -0.51 135.00 137.38 3hbb n PRO 68 Ca -0.17 1.21 -0.12 0.00 -2.02 0.00 0.00 63.50 62.40 3hbb n PRO 68 Cb 0.61 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.80 3hbb n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hbb h ALA 69 N 1.71 0.04 -2.57 3.55 0.00 -1.96 -3.43 119.26 116.60 3hbb h ALA 69 Ca 0.77 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 55.31 3hbb h ALA 69 Cb 2.13 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 19.55 3hbb h ALA 69 CO -0.63 -0.40 -0.62 0.21 0.00 0.00 0.00 179.25 177.82 3hbb s LYS 70 N -5.71 0.18 0.24 0.00 2.20 0.33 -4.52 119.74 112.47 3hbb s LYS 70 Ca -0.14 0.27 -0.14 0.00 -0.36 0.00 0.00 55.97 55.60 3hbb s LYS 70 Cb 0.05 -1.06 0.00 0.00 -1.51 0.00 0.00 37.83 35.32 3hbb s LYS 70 CO 0.67 -0.61 0.50 -0.98 -0.36 0.00 0.00 175.35 174.58 3hbb s ARG 71 N 2.33 1.55 0.45 4.03 1.70 -1.15 -2.21 118.95 125.66 3hbb s ARG 71 Ca 0.06 -1.19 -0.03 0.00 -0.47 0.00 0.00 55.73 54.10 3hbb s ARG 71 Cb -0.15 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.68 3hbb s ARG 71 CO -0.12 -0.65 0.72 -0.80 -1.08 0.00 0.00 175.30 173.37 3hbb s ASN 72 N -2.99 6.22 0.00 -2.89 0.01 -1.26 -0.54 114.94 113.49 3hbb s ASN 72 Ca 0.20 0.76 0.08 0.00 -0.71 0.00 0.00 52.86 53.18 3hbb s ASN 72 Cb -0.01 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 3hbb s ASN 72 CO 0.08 -0.53 -0.24 0.00 -1.51 0.00 0.00 177.10 174.89 3hbb s ALA 73 N -2.63 2.28 -0.16 0.60 0.00 -0.03 -1.15 121.76 120.67 3hbb s ALA 73 Ca 0.46 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3hbb s ALA 73 Cb -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3hbb s ALA 73 CO 0.42 0.54 -0.17 0.14 0.00 0.00 0.00 175.76 176.69 3hbb s VAL 74 N -0.71 2.51 -0.16 0.00 -7.23 0.31 -0.26 120.40 114.87 3hbb s VAL 74 Ca 0.11 -0.82 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 3hbb s VAL 74 Cb -0.10 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 3hbb s VAL 74 CO 0.01 0.52 0.07 -0.69 -0.31 0.00 0.00 175.10 174.70 3hbb s VAL 75 N 0.87 4.88 0.02 1.32 1.01 0.13 -0.63 120.40 128.00 3hbb s VAL 75 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 3hbb s VAL 75 Cb -0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3hbb s VAL 75 CO -0.01 0.50 0.04 0.00 0.00 0.00 0.00 175.10 175.63 3hbb s MET 76 N -0.02 0.42 0.62 2.72 0.23 0.56 -1.44 119.30 122.39 3hbb s MET 76 Ca 0.07 -0.60 -0.15 0.00 -1.03 0.00 0.00 55.69 53.97 3hbb s MET 76 Cb -0.12 0.16 -0.02 0.00 -1.53 0.00 0.00 34.83 33.32 3hbb s MET 76 CO 0.01 -0.09 1.07 0.20 -2.03 0.00 0.00 175.02 174.18 3hbb s GLY 77 N -1.63 2.08 0.24 3.16 0.00 -0.63 -0.88 107.32 109.67 3hbb s GLY 77 Ca -0.13 0.40 -0.06 0.00 0.00 0.00 0.00 44.72 44.94 3hbb s GLY 77 CO -0.01 0.73 1.88 -0.09 0.00 0.00 0.00 173.10 175.61 3hbb h ARG 78 N 0.20 1.08 -0.26 2.90 2.43 -1.72 -2.10 114.38 116.91 3hbb h ARG 78 Ca -0.46 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 3hbb h ARG 78 Cb 1.23 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 3hbb h ARG 78 CO 0.56 0.72 -0.04 0.87 -1.51 0.00 0.00 179.97 180.57 3hbb h LYS 79 N 1.11 0.41 -0.45 0.20 1.57 -1.93 -1.73 116.57 115.75 3hbb h LYS 79 Ca 0.37 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3hbb h LYS 79 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3hbb h LYS 79 CO -0.13 0.47 0.02 1.15 -0.57 0.00 0.00 179.45 180.39 3hbb h THR 80 N 0.39 1.26 -0.96 -0.16 2.02 -1.70 -1.82 112.91 111.94 3hbb h THR 80 Ca 0.08 -1.00 0.06 0.00 0.77 0.00 0.00 66.41 66.32 3hbb h THR 80 Cb 0.33 1.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 3hbb h THR 80 CO 0.01 0.35 0.61 -0.25 0.37 0.00 0.00 175.52 176.62 3hbb h TRP 81 N 0.63 1.14 -0.07 3.16 2.91 -1.02 -1.90 115.95 120.81 3hbb h TRP 81 Ca 0.13 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.09 3hbb h TRP 81 Cb 0.46 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3hbb h TRP 81 CO 0.04 0.59 -0.35 -0.44 -1.03 0.00 0.00 178.44 177.24 3hbb h ASP 82 N 1.12 0.13 1.02 2.65 3.32 -1.06 -2.94 116.42 120.66 3hbb h ASP 82 Ca 0.42 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3hbb h ASP 82 Cb 0.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3hbb h ASP 82 CO -0.17 0.48 0.00 -1.54 -1.72 0.00 0.00 179.24 176.29 3hbb n SER 83 N -4.09 0.67 -4.69 6.45 3.41 -0.71 -4.63 113.62 110.03 3hbb n SER 83 Ca -0.02 0.62 -0.40 0.00 -0.26 0.00 0.00 58.87 58.81 3hbb n SER 83 Cb 0.42 -0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.21 4.99 0.14 -1.33 1.01 -1.11 -4.99 121.20 116.71 3hbb s ILE 84 Ca 0.07 1.42 -0.34 0.00 0.00 0.00 0.00 60.65 61.80 3hbb s ILE 84 Cb 0.11 -4.04 -0.14 0.00 0.01 0.00 0.00 42.46 38.40 3hbb s ILE 84 CO 0.47 0.15 1.54 -2.65 0.00 0.00 0.00 174.94 174.45 3hbb n PRO 85 N 4.52 1.96 -0.04 2.79 -0.02 -1.26 -4.84 135.00 138.11 3hbb n PRO 85 Ca 0.00 0.71 0.24 0.00 -2.02 0.00 0.00 63.50 62.44 3hbb n PRO 85 Cb 0.50 -2.46 0.68 0.00 -0.02 0.00 0.00 33.50 32.20 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 5.73 0.00 -0.77 0.52 0.13 -1.92 0.48 132.00 136.19 3hbb h PRO 86 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 3hbb h PRO 86 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 3hbb h PRO 86 CO 0.87 0.00 0.29 -0.22 -0.23 0.00 0.00 178.00 178.71 3hbb h LYS 87 N 0.00 1.15 -0.58 0.86 3.64 -1.98 -3.20 116.57 116.46 3hbb h LYS 87 Ca 0.32 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3hbb h LYS 87 Cb 1.69 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 3hbb h LYS 87 CO -0.00 0.94 0.00 1.19 -2.27 0.00 0.00 179.45 179.31 3hbb n PHE 88 N -4.27 0.77 -4.51 1.91 3.72 0.16 -4.89 117.46 110.35 3hbb n PHE 88 Ca 0.07 -0.39 -0.30 0.00 -0.05 0.00 0.00 57.45 56.78 3hbb n PHE 88 Cb 0.20 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.61 3hbb n PHE 88 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3hbb s ARG 89 N -1.23 1.88 0.68 -1.08 1.70 -1.21 -3.97 118.95 115.72 3hbb s ARG 89 Ca 0.40 -1.10 -0.13 0.00 -0.47 0.00 0.00 55.73 54.43 3hbb s ARG 89 Cb 0.21 -2.12 0.01 0.00 -0.57 0.00 0.00 34.95 32.48 3hbb s ARG 89 CO 0.28 0.51 1.08 -1.25 -1.08 0.00 0.00 175.30 174.84 3hbb s PRO 90 N -1.77 2.83 -0.10 3.89 0.04 -1.26 -4.97 135.00 133.66 3hbb s PRO 90 Ca 0.16 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 3hbb s PRO 90 Cb -0.10 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3hbb s PRO 90 CO 0.07 -1.20 1.95 -0.51 0.04 0.00 0.00 177.00 177.35 3hbb s LEU 91 N -5.17 4.01 0.60 -3.56 1.43 -1.25 -4.93 118.68 109.80 3hbb s LEU 91 Ca 0.63 2.18 -0.20 0.00 -1.03 0.00 0.00 54.13 55.71 3hbb s LEU 91 Cb -0.17 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 3hbb s LEU 91 CO 0.47 -1.37 1.32 -2.16 0.23 0.00 0.00 176.35 174.83 3hbb s PRO 92 N 5.07 2.84 0.00 1.29 0.04 -1.26 -3.20 135.00 139.78 3hbb s PRO 92 Ca 0.88 2.12 0.00 0.00 0.04 0.00 0.00 61.00 64.04 3hbb s PRO 92 Cb -0.35 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3hbb s PRO 92 CO 0.36 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.42 3hbb n GLY 93 N 0.80 2.04 3.23 0.56 0.00 -1.26 -4.98 105.19 105.57 3hbb n GLY 93 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 3hbb n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hbb s ARG 94 N -0.02 1.02 -0.21 1.61 0.52 -1.19 -4.43 118.95 116.25 3hbb s ARG 94 Ca 0.00 -1.45 -0.20 0.00 -0.52 0.00 0.00 55.73 53.56 3hbb s ARG 94 Cb 0.00 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.04 3hbb s ARG 94 CO 0.00 -0.02 0.59 -1.17 0.02 0.00 0.00 175.30 174.73 3hbb s LEU 95 N -3.14 4.13 -0.54 2.53 1.98 -0.30 -4.82 118.68 118.52 3hbb s LEU 95 Ca 0.18 0.76 -0.19 0.00 -2.89 0.00 0.00 54.13 51.99 3hbb s LEU 95 Cb 0.04 -2.82 0.07 0.00 0.66 0.00 0.00 46.19 44.15 3hbb s LEU 95 CO 0.00 -0.26 0.65 0.20 -1.89 0.00 0.00 176.35 175.05 3hbb s ASN 96 N 1.24 6.21 -0.23 3.68 0.02 0.14 -0.53 114.94 125.47 3hbb s ASN 96 Ca 0.27 -1.10 -0.16 0.00 -1.02 0.00 0.00 52.86 50.84 3hbb s ASN 96 Cb -0.16 -2.29 -0.03 0.00 0.02 0.00 0.00 41.25 38.79 3hbb s ASN 96 CO 0.10 -0.97 0.44 -0.69 0.02 0.00 0.00 177.10 176.00 3hbb s VAL 97 N 2.64 5.15 -0.14 1.60 1.01 0.20 -1.80 120.40 129.06 3hbb s VAL 97 Ca 0.14 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.89 3hbb s VAL 97 Cb -0.21 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.41 3hbb s VAL 97 CO 0.10 0.18 -0.21 -0.69 0.00 0.00 0.00 175.10 174.48 3hbb s VAL 98 N 1.80 2.20 -0.27 2.92 1.01 -0.32 -0.33 120.40 127.41 3hbb s VAL 98 Ca 0.19 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3hbb s VAL 98 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3hbb s VAL 98 CO 0.09 0.54 0.68 -0.76 0.00 0.00 0.00 175.10 175.65 3hbb s LEU 99 N 0.80 4.09 -0.22 3.92 1.43 -0.06 -0.52 118.68 128.11 3hbb s LEU 99 Ca -0.07 0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 53.43 3hbb s LEU 99 Cb -0.16 -2.92 0.09 0.00 0.03 0.00 0.00 46.19 43.23 3hbb s LEU 99 CO -0.01 -0.45 0.82 -0.55 0.23 0.00 0.00 176.35 176.38 3hbb s SER 100 N 1.52 -0.62 0.00 2.29 0.15 -0.66 -1.88 113.70 114.50 3hbb s SER 100 Ca 0.28 1.06 0.19 0.00 0.70 0.00 0.00 55.95 58.18 3hbb s SER 100 Cb -0.15 1.03 0.20 0.00 -1.71 0.00 0.00 66.02 65.39 3hbb s SER 100 CO 0.10 -0.30 1.15 -1.54 1.20 0.00 0.00 173.24 173.84 3hbb n SER 101 N 2.04 2.72 0.00 5.45 3.41 -1.26 -3.75 113.62 122.23 3hbb n SER 101 Ca -0.14 -1.82 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 3hbb n SER 101 Cb 0.56 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3hbb n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hbb n THR 102 N 1.10 0.00 -4.02 6.66 -2.24 -1.26 -5.01 114.28 109.51 3hbb n THR 102 Ca 0.12 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 3hbb n THR 102 Cb 0.49 0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 69.09 3hbb n THR 102 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hbb s LEU 103 N -2.60 2.70 0.73 3.22 2.01 -1.26 -5.12 118.68 118.37 3hbb s LEU 103 Ca 0.00 -0.69 -0.08 0.00 0.01 0.00 0.00 54.13 53.37 3hbb s LEU 103 Cb 0.00 -1.60 0.06 0.00 0.01 0.00 0.00 46.19 44.66 3hbb s LEU 103 CO 0.00 -0.05 1.06 0.42 1.01 0.00 0.00 176.35 178.79 3hbb s THR 104 N 1.34 2.28 0.11 5.49 -4.23 -1.26 -4.72 115.64 114.64 3hbb s THR 104 Ca 0.03 -0.15 -0.33 0.00 -1.18 0.00 0.00 61.69 60.06 3hbb s THR 104 Cb -0.15 -3.03 -0.12 0.00 1.34 0.00 0.00 72.50 70.54 3hbb s THR 104 CO -0.08 -0.04 1.57 0.74 -0.54 0.00 0.00 174.62 176.28 3hbb h THR 105 N -0.73 0.07 -0.89 3.99 2.02 -1.94 -2.09 112.91 113.35 3hbb h THR 105 Ca -0.45 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.84 3hbb h THR 105 Cb 1.32 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 3hbb h THR 105 CO 0.62 0.00 0.57 -0.61 0.37 0.00 0.00 175.52 176.47 3hbb h GLN 106 N -0.71 0.78 -0.70 6.66 5.75 -1.95 -0.82 115.11 124.12 3hbb h GLN 106 Ca 0.01 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3hbb h GLN 106 Cb 0.73 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 3hbb h GLN 106 CO -0.27 0.52 0.46 0.45 -2.65 0.00 0.00 178.83 177.34 3hbb h HIS 107 N 0.81 0.81 -0.22 3.99 3.86 -1.75 -1.98 115.15 120.66 3hbb h HIS 107 Ca 0.42 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.54 3hbb h HIS 107 Cb 0.52 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3hbb h HIS 107 CO -0.00 0.47 -0.36 -0.07 0.86 0.00 0.00 177.93 178.83 3hbb h LEU 108 N 0.83 0.51 -1.57 2.43 3.38 -0.63 -2.41 115.31 117.86 3hbb h LEU 108 Ca 0.28 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3hbb h LEU 108 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hbb h LEU 108 CO -0.08 0.83 -0.23 -0.07 0.09 0.00 0.00 178.44 178.98 3hbb h LEU 109 N 0.41 0.00 -8.62 1.67 -0.00 -1.19 -3.37 115.31 104.21 3hbb h LEU 109 Ca 0.04 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.37 3hbb h LEU 109 Cb 0.82 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.42 3hbb h LEU 109 CO 0.07 0.23 1.09 -1.81 -0.00 0.00 0.00 178.44 178.02 3hbb s ASP 110 N -6.69 6.18 0.00 -0.43 1.01 -0.85 -4.70 116.67 111.18 3hbb s ASP 110 Ca -0.03 0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.60 3hbb s ASP 110 Cb 0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3hbb s ASP 110 CO 0.67 -1.65 0.00 0.61 0.21 0.00 0.00 175.17 175.01 3hbb n GLY 111 N 5.22 3.34 5.46 0.21 0.00 -1.26 -4.92 105.19 113.24 3hbb n GLY 111 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3hbb n GLY 111 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3hbb n LEU 112 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -5.05 117.00 111.68 3hbb n LEU 112 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3hbb n LEU 112 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3hbb n LEU 112 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.39 178.80 3hbb n HIS 121 N 0.00 0.00 -3.65 1.47 8.25 -1.26 -5.07 115.22 114.96 3hbb n HIS 121 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 3hbb n HIS 121 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3hbb n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hbb s ALA 122 N -1.12 3.99 -0.26 -1.41 0.00 -1.26 -5.12 121.76 116.58 3hbb s ALA 122 Ca 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.13 3hbb s ALA 122 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3hbb s ALA 122 CO 0.00 -0.10 0.12 0.34 0.00 0.00 0.00 175.76 176.12 3hbb s ASP 123 N -4.08 5.56 0.00 0.00 -1.08 -1.26 -4.85 116.67 110.96 3hbb s ASP 123 Ca 0.45 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 3hbb s ASP 123 Cb -0.05 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 3hbb s ASP 123 CO 0.28 -0.03 0.56 -1.20 0.52 0.00 0.00 175.17 175.29 3hbb n SER 124 N 4.92 0.00 -3.83 -0.34 7.64 -1.26 -4.99 113.62 115.75 3hbb n SER 124 Ca -0.15 -1.22 -0.17 0.00 1.01 0.00 0.00 58.87 58.34 3hbb n SER 124 Cb 0.52 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.51 3hbb n SER 124 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hbb s ILE 125 N 0.00 0.24 -0.02 0.44 1.01 -1.26 0.27 121.20 121.87 3hbb s ILE 125 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.71 3hbb s ILE 125 Cb 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.16 3hbb s ILE 125 CO 0.00 0.16 -0.04 -0.69 0.00 0.00 0.00 174.94 174.36 3hbb s VAL 126 N 0.99 0.41 0.26 2.92 1.01 -0.74 -4.98 120.40 120.27 3hbb s VAL 126 Ca -0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3hbb s VAL 126 Cb -0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 3hbb s VAL 126 CO -0.01 0.16 0.53 0.00 0.00 0.00 0.00 175.10 175.77 3hbb s ALA 127 N 0.40 3.64 -0.10 5.51 0.00 -1.26 -1.17 121.76 128.77 3hbb s ALA 127 Ca -0.04 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 3hbb s ALA 127 Cb -0.08 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.77 3hbb s ALA 127 CO -0.00 0.33 -0.06 0.08 0.00 0.00 0.00 175.76 176.11 3hbb s VAL 128 N -2.00 0.84 -1.17 0.00 1.01 0.32 -4.82 120.40 114.57 3hbb s VAL 128 Ca 0.44 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 3hbb s VAL 128 Cb -0.11 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.46 3hbb s VAL 128 CO 0.28 0.33 1.59 0.21 0.00 0.00 0.00 175.10 177.51 3hbb s ASN 129 N 1.66 6.72 0.00 3.32 2.47 -1.25 -1.66 114.94 126.21 3hbb s ASN 129 Ca 0.03 -2.10 0.00 0.00 0.42 0.00 0.00 52.86 51.21 3hbb s ASN 129 Cb -0.13 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3hbb s ASN 129 CO -0.06 -1.26 0.00 0.61 -3.72 0.00 0.00 177.10 172.67 3hbb n GLY 130 N 5.87 -2.08 0.00 1.21 0.00 -1.26 -5.00 105.19 103.92 3hbb n GLY 130 Ca 0.41 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.84 0.23 0.30 -0.02 0.00 -1.26 -4.39 105.19 99.21 3hbb n GLY 131 Ca 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.23 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 0.35 -0.11 0.99 5.85 -1.95 -2.29 115.31 118.15 3hbb h LEU 132 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hbb h LEU 132 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3hbb h LEU 132 CO 0.00 0.26 0.06 -0.08 -0.34 0.00 0.00 178.44 178.34 3hbb h GLU 133 N 0.42 0.16 -0.56 1.25 4.81 -1.94 -0.14 114.58 118.57 3hbb h GLU 133 Ca 0.11 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3hbb h GLU 133 Cb -0.04 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3hbb h GLU 133 CO -0.02 0.19 0.32 1.96 -0.73 0.00 0.00 179.01 180.72 3hbb h GLN 134 N 0.09 0.61 -0.48 1.92 7.50 -1.78 0.30 115.11 123.26 3hbb h GLN 134 Ca 0.04 -0.04 0.04 0.00 0.50 0.00 0.00 58.65 59.19 3hbb h GLN 134 Cb 0.07 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 27.43 3hbb h GLN 134 CO -0.01 0.40 0.26 0.00 -1.50 0.00 0.00 178.83 177.98 3hbb h ALA 135 N 1.26 0.62 -0.03 3.87 0.00 -1.21 0.38 119.26 124.16 3hbb h ALA 135 Ca 0.23 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3hbb h ALA 135 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hbb h ALA 135 CO -0.12 -0.08 -0.37 -0.07 0.00 0.00 0.00 179.25 178.60 3hbb h LEU 136 N 0.51 0.05 -0.10 0.00 3.38 -0.38 0.08 115.31 118.84 3hbb h LEU 136 Ca 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3hbb h LEU 136 Cb 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hbb h LEU 136 CO -0.13 0.42 0.01 -0.61 0.09 0.00 0.00 178.44 178.23 3hbb h GLN 137 N 0.04 0.17 -0.42 1.13 4.15 0.16 -1.48 115.11 118.86 3hbb h GLN 137 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 3hbb h GLN 137 Cb 0.68 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 3hbb h GLN 137 CO 0.05 0.39 0.15 1.25 -1.93 0.00 0.00 178.83 178.74 3hbb h LEU 138 N -0.07 0.60 -1.09 -2.39 5.85 -0.65 -2.43 115.31 115.14 3hbb h LEU 138 Ca 0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3hbb h LEU 138 Cb 0.30 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3hbb h LEU 138 CO 0.00 0.63 0.00 -0.07 -0.34 0.00 0.00 178.44 178.66 3hbb h LEU 139 N 0.54 0.00 -0.18 2.25 3.38 -0.99 -1.61 115.31 118.70 3hbb h LEU 139 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3hbb h LEU 139 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hbb h LEU 139 CO -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.41 3hbb h ALA 140 N 2.14 0.93 -2.49 1.53 0.00 -0.85 -3.25 119.26 117.27 3hbb h ALA 140 Ca 0.00 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.29 3hbb h ALA 140 Cb 0.22 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 18.14 3hbb h ALA 140 CO 0.00 0.14 0.34 -1.54 0.00 0.00 0.00 179.25 178.19 3hbb s SER 141 N -6.21 4.17 0.28 0.00 1.04 -0.61 -4.61 113.70 107.76 3hbb s SER 141 Ca 0.06 2.16 0.02 0.00 0.48 0.00 0.00 55.95 58.67 3hbb s SER 141 Cb 0.06 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 64.26 3hbb s SER 141 CO 0.67 -2.27 1.74 1.55 0.98 0.00 0.00 173.24 175.91 3hbb h PRO 142 N -0.69 0.56 0.00 4.02 0.13 -1.88 0.29 132.00 134.43 3hbb h PRO 142 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hbb h PRO 142 Cb 1.27 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hbb h PRO 142 CO 0.49 0.37 0.14 -0.91 -0.23 0.00 0.00 178.00 177.86 3hbb h ASN 143 N 0.57 0.00 0.00 1.44 -0.26 -1.92 -2.95 115.58 112.47 3hbb h ASN 143 Ca 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.26 3hbb h ASN 143 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 3hbb h ASN 143 CO -0.42 0.00 -1.00 -1.22 -1.06 0.00 0.00 177.43 173.73 3hbb n TYR 144 N -2.91 0.00 -4.05 1.19 4.01 -0.69 -4.76 117.16 109.95 3hbb n TYR 144 Ca -0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.37 3hbb n TYR 144 Cb 0.20 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.10 3hbb n TYR 144 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3hbb s THR 145 N -1.99 3.81 -0.34 -0.72 2.01 0.01 0.07 115.64 118.50 3hbb s THR 145 Ca 0.00 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.73 3hbb s THR 145 Cb 0.00 -2.73 0.67 0.00 0.01 0.00 0.00 72.50 70.45 3hbb s THR 145 CO 0.00 0.43 1.74 -0.81 -0.69 0.00 0.00 174.62 175.29 3hbb n PRO 146 N 4.36 2.96 -0.15 4.92 -0.04 -1.26 -4.23 135.00 141.57 3hbb n PRO 146 Ca -0.17 -3.07 -0.08 0.00 -0.04 0.00 0.00 63.50 60.14 3hbb n PRO 146 Cb 0.52 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 3hbb n PRO 146 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hbb h SER 147 N 1.89 0.55 -3.22 3.54 4.64 -1.69 -3.38 113.55 115.89 3hbb h SER 147 Ca 0.33 -0.09 -0.57 0.00 -0.47 0.00 0.00 61.79 60.99 3hbb h SER 147 Cb 2.27 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 64.17 3hbb h SER 147 CO 0.72 0.48 0.93 -0.63 -0.87 0.00 0.00 176.83 177.47 3hbb s ILE 148 N -5.85 4.25 -0.04 0.95 -1.09 0.11 -2.91 121.20 116.62 3hbb s ILE 148 Ca -0.13 1.42 -0.14 0.00 -2.23 0.00 0.00 60.65 59.56 3hbb s ILE 148 Cb 0.11 -4.25 -0.08 0.00 -1.58 0.00 0.00 42.46 36.66 3hbb s ILE 148 CO 0.74 -0.50 0.60 -0.08 -1.23 0.00 0.00 174.94 174.47 3hbb h GLU 149 N 8.92 -0.50 -5.48 2.79 4.81 -1.01 -3.46 114.58 120.65 3hbb h GLU 149 Ca -0.24 0.03 -0.56 0.00 -0.13 0.00 0.00 59.36 58.46 3hbb h GLU 149 Cb 1.08 0.11 -0.30 0.00 0.63 0.00 0.00 28.75 30.28 3hbb h GLU 149 CO 1.04 -0.33 -0.84 0.99 -0.73 0.00 0.00 179.01 179.14 3hbb s THR 150 N -3.24 1.42 -0.19 0.32 2.01 -1.26 -4.62 115.64 110.08 3hbb s THR 150 Ca -0.08 -0.74 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 3hbb s THR 150 Cb 0.01 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 3hbb s THR 150 CO 0.23 0.41 0.13 -0.69 -0.69 0.00 0.00 174.62 174.00 3hbb s VAL 151 N -0.17 5.38 -0.10 3.82 1.01 -1.26 -0.85 120.40 128.23 3hbb s VAL 151 Ca 0.01 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3hbb s VAL 151 Cb -0.09 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 3hbb s VAL 151 CO 0.01 0.46 -0.22 -0.31 0.00 0.00 0.00 175.10 175.04 3hbb s TYR 152 N 0.19 2.59 -0.59 5.22 2.02 0.65 -0.51 117.35 126.92 3hbb s TYR 152 Ca 0.09 -0.96 -0.23 0.00 -0.37 0.00 0.00 57.07 55.60 3hbb s TYR 152 Cb -0.11 -1.72 0.05 0.00 -0.40 0.00 0.00 41.96 39.78 3hbb s TYR 152 CO -0.01 -0.37 0.91 0.00 -1.57 0.00 0.00 175.55 174.51 3hbb n ILE 154 N 6.02 0.00 -0.40 0.00 -5.35 -0.52 -2.34 119.36 116.77 3hbb n ILE 154 Ca -0.01 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3hbb n ILE 154 Cb 0.46 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 3hbb n ILE 154 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hbb n GLY 155 N 1.35 0.64 0.00 3.28 0.00 -1.21 -4.92 105.19 104.33 3hbb n GLY 155 Ca 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3hbb n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbb n GLY 156 N 0.00 2.08 0.33 -0.02 0.00 -1.26 -1.60 105.19 104.72 3hbb n GLY 156 Ca 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.62 3hbb n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbb n GLY 157 N 2.42 -1.68 0.23 -0.02 0.00 -1.26 -0.27 105.19 104.61 3hbb n GLY 157 Ca 0.00 0.97 0.03 0.00 0.00 0.00 0.00 46.02 47.02 3hbb n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hbb h SER 158 N 0.00 0.16 -0.03 1.61 4.64 -1.96 -0.42 113.55 117.55 3hbb h SER 158 Ca 0.36 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 3hbb h SER 158 Cb 0.58 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3hbb h SER 158 CO -0.90 0.36 -0.15 0.58 -0.87 0.00 0.00 176.83 175.85 3hbb h VAL 159 N 0.16 1.49 -0.51 0.95 2.07 -0.92 -2.55 116.25 116.94 3hbb h VAL 159 Ca 0.03 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 65.97 3hbb h VAL 159 Cb 0.42 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.62 3hbb h VAL 159 CO 0.03 0.45 0.12 1.88 0.02 0.00 0.00 177.57 180.08 3hbb h TYR 160 N -0.44 0.20 -0.97 1.57 0.05 -1.15 -0.54 116.97 115.70 3hbb h TYR 160 Ca -0.01 0.03 0.12 0.00 0.05 0.00 0.00 58.73 58.92 3hbb h TYR 160 Cb 0.82 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.47 3hbb h TYR 160 CO 0.15 0.02 0.61 0.00 -1.05 0.00 0.00 178.16 177.89 3hbb h ALA 161 N 1.39 1.60 -0.13 3.88 0.00 -1.07 -0.47 119.26 124.46 3hbb h ALA 161 Ca 0.26 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 3hbb h ALA 161 Cb 0.34 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3hbb h ALA 161 CO -0.32 0.16 -0.70 1.49 0.00 0.00 0.00 179.25 179.88 3hbb h GLU 162 N 0.92 0.56 -0.19 0.00 4.81 -0.92 -3.15 114.58 116.61 3hbb h GLU 162 Ca 0.48 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3hbb h GLU 162 Cb 0.52 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3hbb h GLU 162 CO -0.24 1.06 -0.12 0.00 -0.73 0.00 0.00 179.01 178.98 3hbb h ALA 163 N 0.83 1.45 -0.46 2.92 0.00 0.26 -3.16 119.26 121.10 3hbb h ALA 163 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hbb h ALA 163 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hbb h ALA 163 CO 0.13 0.39 0.00 1.28 0.00 0.00 0.00 179.25 181.05 3hbb n LEU 164 N -4.26 4.01 -4.17 0.00 4.77 -0.32 -2.61 117.00 114.42 3hbb n LEU 164 Ca -0.00 -2.03 -0.10 0.00 -0.03 0.00 0.00 56.01 53.84 3hbb n LEU 164 Cb 0.28 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 3hbb n LEU 164 CO 0.38 0.59 -0.36 0.00 -1.33 0.00 0.00 177.39 176.67 3hbb s ARG 165 N -1.99 0.86 0.68 3.23 1.70 -1.20 -4.87 118.95 117.36 3hbb s ARG 165 Ca 0.39 -1.36 -0.17 0.00 -0.47 0.00 0.00 55.73 54.12 3hbb s ARG 165 Cb 0.27 -0.10 -0.01 0.00 -0.57 0.00 0.00 34.95 34.54 3hbb s ARG 165 CO 0.16 -0.08 1.01 -2.30 -1.08 0.00 0.00 175.30 173.01 3hbb n PRO 166 N -0.06 0.70 0.04 3.89 -0.02 -1.26 -1.24 135.00 137.05 3hbb n PRO 166 Ca -0.11 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 3hbb n PRO 166 Cb 0.62 -2.25 0.50 0.00 -0.02 0.00 0.00 33.50 32.34 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 -1.63 0.11 -0.01 0.52 -0.04 -1.26 -4.81 135.00 127.89 3hbb n PRO 167 Ca 0.14 0.09 -0.07 0.00 -0.04 0.00 0.00 63.50 63.61 3hbb n PRO 167 Cb 0.49 -1.63 0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.46 0.60 0.00 0.00 3.04 -0.92 0.14 116.25 119.57 3hbb h VAL 169 Ca 0.04 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3hbb h VAL 169 Cb 0.90 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 3hbb h VAL 169 CO 0.08 0.05 0.00 1.41 -1.01 0.00 0.00 177.57 178.10 3hbb n HIS 170 N -3.84 0.00 0.60 3.17 8.25 -1.21 -2.15 115.22 120.04 3hbb n HIS 170 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 3hbb n HIS 170 Cb 0.14 -0.27 0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.27 1.98 -4.63 2.41 7.99 0.49 -4.97 117.00 118.99 3hbb n LEU 171 Ca 0.13 -0.93 -0.43 0.00 -0.01 0.00 0.00 56.01 54.77 3hbb n LEU 171 Cb 0.21 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.49 3hbb n LEU 171 CO 0.20 0.37 1.02 -0.22 -1.51 0.00 0.00 177.39 177.24 3hbb s LEU 172 N -1.38 3.87 -0.18 2.23 2.96 -0.92 -1.98 118.68 123.29 3hbb s LEU 172 Ca 0.15 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 55.09 3hbb s LEU 172 Cb 0.12 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 43.04 3hbb s LEU 172 CO 0.22 -1.00 0.13 0.00 -1.32 0.00 0.00 176.35 174.39 3hbb n GLN 173 N 7.15 0.69 -3.75 1.98 1.13 -0.03 -4.74 117.38 119.80 3hbb n GLN 173 Ca 0.13 0.18 -0.13 0.00 -1.94 0.00 0.00 57.00 55.23 3hbb n GLN 173 Cb 0.47 -1.62 -0.08 0.00 0.11 0.00 0.00 30.24 29.12 3hbb n GLN 173 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hbb s ALA 174 N -2.54 -0.80 -0.16 -1.58 0.00 -1.26 -4.20 121.76 111.22 3hbb s ALA 174 Ca -0.22 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 3hbb s ALA 174 Cb 0.08 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 3hbb s ALA 174 CO 0.73 -0.27 -0.14 0.42 0.00 0.00 0.00 175.76 176.50 3hbb s ILE 175 N -1.41 2.78 -0.46 0.00 1.01 0.29 -0.59 121.20 122.82 3hbb s ILE 175 Ca -0.13 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 3hbb s ILE 175 Cb -0.05 -2.19 0.12 0.00 0.01 0.00 0.00 42.46 40.35 3hbb s ILE 175 CO 0.04 0.51 0.30 -0.31 0.00 0.00 0.00 174.94 175.48 3hbb s TYR 176 N 0.87 3.49 -0.14 3.97 2.02 0.50 -0.22 117.35 127.84 3hbb s TYR 176 Ca -0.04 -2.11 -0.02 0.00 -0.37 0.00 0.00 57.07 54.54 3hbb s TYR 176 Cb -0.15 -3.40 -0.02 0.00 -0.40 0.00 0.00 41.96 37.99 3hbb s TYR 176 CO -0.01 -0.98 -0.07 0.50 -1.57 0.00 0.00 175.55 173.42 3hbb s ARG 177 N 1.21 3.47 -0.18 -0.62 3.52 -0.34 -1.34 118.95 124.66 3hbb s ARG 177 Ca 0.07 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 55.03 3hbb s ARG 177 Cb -0.25 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 3hbb s ARG 177 CO -0.02 0.29 0.06 0.99 -0.81 0.00 0.00 175.30 175.81 3hbb s THR 178 N 0.19 4.75 -0.22 4.11 2.01 0.09 -0.77 115.64 125.80 3hbb s THR 178 Ca -0.04 -0.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 3hbb s THR 178 Cb -0.14 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 3hbb s THR 178 CO 0.04 0.46 0.04 -0.89 -0.69 0.00 0.00 174.62 173.58 3hbb s THR 179 N 0.38 4.24 -0.27 -0.82 2.01 -0.06 -0.69 115.64 120.43 3hbb s THR 179 Ca 0.03 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 3hbb s THR 179 Cb -0.12 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 3hbb s THR 179 CO 0.00 0.39 0.27 -0.63 -0.69 0.00 0.00 174.62 173.96 3hbb s ILE 180 N 1.21 5.26 -1.33 1.82 -1.09 0.12 -1.85 121.20 125.34 3hbb s ILE 180 Ca 0.04 0.34 -0.17 0.00 -2.23 0.00 0.00 60.65 58.63 3hbb s ILE 180 Cb -0.14 -3.60 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 3hbb s ILE 180 CO 0.03 0.22 1.84 0.54 -1.23 0.00 0.00 174.94 176.34 3hbb n ARG 181 N 5.13 3.13 -3.90 2.79 1.74 -0.59 -3.32 116.66 121.63 3hbb n ARG 181 Ca -0.12 -3.14 -0.09 0.00 -0.77 0.00 0.00 57.85 53.72 3hbb n ARG 181 Cb 0.51 -3.43 -0.06 0.00 -1.02 0.00 0.00 32.46 28.46 3hbb n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hbb s ALA 182 N 3.88 -0.24 -0.01 7.54 0.00 -1.26 -4.53 121.76 127.14 3hbb s ALA 182 Ca 0.52 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 3hbb s ALA 182 Cb 0.06 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.03 3hbb s ALA 182 CO 0.04 -0.67 0.28 -1.12 0.00 0.00 0.00 175.76 174.28 3hbb s SER 183 N -2.94 -0.15 -0.23 0.00 0.01 -1.26 -3.33 113.70 105.80 3hbb s SER 183 Ca 0.14 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.15 3hbb s SER 183 Cb 0.02 0.29 0.16 0.00 0.21 0.00 0.00 66.02 66.71 3hbb s SER 183 CO -0.02 -0.43 1.18 -1.83 0.41 0.00 0.00 173.24 172.55 3hbb s GLU 184 N -1.32 0.33 0.00 12.44 1.03 -1.26 -4.99 118.70 124.93 3hbb s GLU 184 Ca -0.14 0.12 0.05 0.00 0.03 0.00 0.00 54.97 55.04 3hbb s GLU 184 Cb -0.06 0.16 0.31 0.00 -0.80 0.00 0.00 34.13 33.74 3hbb s GLU 184 CO 0.04 -0.09 0.85 -1.13 -1.33 0.00 0.00 175.26 173.59 3hbb n SER 185 N 0.84 0.00 0.00 0.83 3.41 -1.26 -3.19 113.62 114.25 3hbb n SER 185 Ca -0.06 -1.01 0.15 0.00 -0.26 0.00 0.00 58.87 57.69 3hbb n SER 185 Cb 0.58 0.00 0.86 0.00 -0.26 0.00 0.00 64.21 65.39 3hbb n SER 185 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hbb n SER 186 N -0.64 0.00 -4.52 4.04 2.88 -1.26 -4.73 113.62 109.40 3hbb n SER 186 Ca 0.04 -0.63 -0.41 0.00 -1.33 0.00 0.00 58.87 56.54 3hbb n SER 186 Cb 0.02 -0.12 -0.11 0.00 -0.75 0.00 0.00 64.21 63.25 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 5.11 1.88 -4.75 0.00 3.41 -0.85 -4.95 113.62 113.46 3hbb n SER 188 Ca -0.12 0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 58.50 3hbb n SER 188 Cb 0.49 -0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 63.48 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 -2.41 4.24 0.10 -3.33 1.01 -0.78 -5.00 120.40 114.23 3hbb s VAL 189 Ca -0.30 1.99 0.07 0.00 0.00 0.00 0.00 61.98 63.74 3hbb s VAL 189 Cb 0.08 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3hbb s VAL 189 CO 0.52 0.46 -0.17 -0.36 0.00 0.00 0.00 175.10 175.55 3hbb s PHE 190 N -0.90 1.53 -0.14 5.22 0.40 -1.26 -0.78 117.98 122.06 3hbb s PHE 190 Ca 0.41 -0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 56.28 3hbb s PHE 190 Cb -0.25 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.48 3hbb s PHE 190 CO 0.30 0.15 -0.07 0.12 0.70 0.00 0.00 175.22 176.42 3hbb s PHE 191 N -1.38 1.60 -0.06 0.36 5.36 0.58 -4.86 117.98 119.58 3hbb s PHE 191 Ca 0.04 -0.90 0.01 0.00 -0.96 0.00 0.00 56.93 55.12 3hbb s PHE 191 Cb -0.09 -1.28 0.02 0.00 -0.34 0.00 0.00 43.02 41.33 3hbb s PHE 191 CO 0.03 -0.56 -0.06 1.03 -1.46 0.00 0.00 175.22 174.20 3hbb s ARG 192 N 1.67 1.12 -0.12 10.12 0.52 -1.26 -4.73 118.95 126.27 3hbb s ARG 192 Ca 0.03 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 54.77 3hbb s ARG 192 Cb -0.14 -1.10 -0.01 0.00 0.52 0.00 0.00 34.95 34.23 3hbb s ARG 192 CO -0.08 -0.10 1.04 0.08 0.02 0.00 0.00 175.30 176.25 3hbb s VAL 193 N 1.06 4.71 0.25 3.52 1.01 -1.26 -5.01 120.40 124.68 3hbb s VAL 193 Ca -0.08 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 3hbb s VAL 193 Cb -0.14 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 3hbb s VAL 193 CO -0.01 -0.03 1.57 -2.84 0.00 0.00 0.00 175.10 173.79 3hbb s PRO 194 N 2.27 4.17 0.54 2.72 0.02 -1.26 -4.98 135.00 138.48 3hbb s PRO 194 Ca 0.48 2.48 -0.18 0.00 0.02 0.00 0.00 61.00 63.80 3hbb s PRO 194 Cb -0.18 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.20 3hbb s PRO 194 CO 0.16 -0.59 1.04 -1.21 -0.33 0.00 0.00 177.00 176.07 3hbb s GLU 195 N -0.01 3.60 0.12 5.54 2.02 -1.26 -4.69 118.70 124.01 3hbb s GLU 195 Ca 0.65 1.24 -0.36 0.00 0.02 0.00 0.00 54.97 56.52 3hbb s GLU 195 Cb -0.46 -2.07 -0.16 0.00 0.10 0.00 0.00 34.13 31.55 3hbb s GLU 195 CO 0.42 -0.59 1.44 0.45 0.02 0.00 0.00 175.26 177.01 3hbb n SER 196 N -1.54 2.26 -0.61 -0.19 2.88 -1.26 -2.31 113.62 112.86 3hbb n SER 196 Ca 0.09 1.10 -0.07 0.00 -1.33 0.00 0.00 58.87 58.66 3hbb n SER 196 Cb 0.53 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.67 3hbb n SER 196 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hbb n GLY 197 N 2.91 0.84 3.99 0.46 0.00 -1.26 -5.03 105.19 107.09 3hbb n GLY 197 Ca 0.18 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.29 4.14 0.13 2.61 -4.23 -0.98 -5.03 115.64 110.00 3hbb s THR 198 Ca 0.00 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.40 3hbb s THR 198 Cb 0.00 -3.44 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 3hbb s THR 198 CO 0.00 -0.18 1.68 -0.33 -0.54 0.00 0.00 174.62 175.25 3hbb h GLU 199 N 0.86 0.57 -0.03 3.99 5.08 -1.96 -2.56 114.58 120.53 3hbb h GLU 199 Ca -0.46 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 57.81 3hbb h GLU 199 Cb 1.25 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3hbb h GLU 199 CO 0.54 0.53 0.05 0.00 -1.00 0.00 0.00 179.01 179.13 3hbb h ALA 200 N 1.01 1.41 0.00 3.43 0.00 -1.96 -1.10 119.26 122.05 3hbb h ALA 200 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hbb h ALA 200 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hbb h ALA 200 CO -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3hbb n ALA 201 N -2.24 2.01 -4.39 0.00 0.00 -0.96 -4.85 120.51 110.08 3hbb n ALA 201 Ca -0.02 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 3hbb n ALA 201 Cb 0.13 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.65 -1.23 0.00 0.00 0.00 -0.42 -0.17 120.51 117.04 3hbb n ALA 202 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hbb n ALA 202 Cb 0.30 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.74 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 -1.22 2.80 3.78 0.00 0.00 -1.26 -5.04 105.19 104.25 3hbb n GLY 203 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.14 3.68 -0.32 -0.61 1.01 0.76 -4.92 121.20 118.66 3hbb s ILE 204 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 60.65 61.91 3hbb s ILE 204 Cb 0.00 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.95 3hbb s ILE 204 CO 0.00 -0.04 0.05 -1.61 0.00 0.00 0.00 174.94 173.34 3hbb s GLU 205 N -2.65 1.30 -0.08 2.79 2.02 -1.26 -4.34 118.70 116.48 3hbb s GLU 205 Ca 0.60 -1.56 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 3hbb s GLU 205 Cb -0.22 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 3hbb s GLU 205 CO 0.27 -0.91 1.43 -1.58 0.02 0.00 0.00 175.26 174.49 3hbb s TRP 206 N 1.15 2.56 0.09 1.61 0.52 -1.26 -0.40 118.94 123.20 3hbb s TRP 206 Ca 0.09 0.68 -0.01 0.00 0.02 0.00 0.00 56.10 56.87 3hbb s TRP 206 Cb -0.19 -3.69 -0.04 0.00 -1.15 0.00 0.00 33.47 28.40 3hbb s TRP 206 CO -0.13 -2.63 0.27 -0.65 0.02 0.00 0.00 176.95 173.83 3hbb s GLN 207 N 3.36 3.49 -0.30 4.98 -1.52 0.96 -4.89 119.66 125.74 3hbb s GLN 207 Ca 0.64 -0.34 -0.24 0.00 -1.95 0.00 0.00 55.36 53.46 3hbb s GLN 207 Cb -0.28 -2.97 0.00 0.00 -0.22 0.00 0.00 33.01 29.54 3hbb s GLN 207 CO 0.23 0.56 0.83 0.50 -0.25 0.00 0.00 175.29 177.16 3hbb s ARG 208 N -2.61 4.00 -0.13 2.91 3.52 -1.26 -0.78 118.95 124.60 3hbb s ARG 208 Ca 0.37 0.70 -0.25 0.00 -0.13 0.00 0.00 55.73 56.42 3hbb s ARG 208 Cb -0.13 -3.72 -0.22 0.00 -1.56 0.00 0.00 34.95 29.32 3hbb s ARG 208 CO 0.27 -0.69 0.69 1.49 -0.81 0.00 0.00 175.30 176.25 3hbb h GLU 209 N 8.06 -0.00 -3.86 5.12 4.81 -1.15 -3.48 114.58 124.08 3hbb h GLU 209 Ca -0.24 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.86 3hbb h GLU 209 Cb 1.09 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.29 3hbb h GLU 209 CO 0.90 0.84 -0.58 0.95 -0.73 0.00 0.00 179.01 180.39 3hbb s THR 210 N -2.23 0.13 -0.00 0.32 -4.23 -1.13 -5.00 115.64 103.50 3hbb s THR 210 Ca -0.16 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 3hbb s THR 210 Cb -0.02 -0.75 -0.00 0.00 1.34 0.00 0.00 72.50 73.06 3hbb s THR 210 CO 0.60 -0.59 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.56 3hbb s ILE 211 N -2.32 0.13 0.49 2.99 2.07 -1.26 -1.75 121.20 121.55 3hbb s ILE 211 Ca -0.08 -0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.06 3hbb s ILE 211 Cb -0.03 -0.12 -0.01 0.00 0.13 0.00 0.00 42.46 42.42 3hbb s ILE 211 CO -0.04 0.04 0.77 -0.94 -1.91 0.00 0.00 174.94 172.86 3hbb s SER 212 N -0.03 5.97 0.67 4.50 1.04 -0.24 -5.01 113.70 120.60 3hbb s SER 212 Ca 0.01 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 56.98 3hbb s SER 212 Cb -0.01 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.21 3hbb s SER 212 CO -0.00 -0.72 1.07 -1.83 0.98 0.00 0.00 173.24 172.73 3hbb s GLU 213 N -4.73 2.92 0.04 4.02 -1.05 -1.26 -4.68 118.70 113.96 3hbb s GLU 213 Ca 0.49 1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 56.11 3hbb s GLU 213 Cb -0.10 -1.98 -0.08 0.00 -0.44 0.00 0.00 34.13 31.52 3hbb s GLU 213 CO 0.42 -1.12 1.76 -2.00 0.95 0.00 0.00 175.26 175.28 3hbb s GLU 214 N -4.63 4.17 0.26 -4.83 2.12 -1.26 -4.74 118.70 109.79 3hbb s GLU 214 Ca 0.61 2.41 0.08 0.00 0.36 0.00 0.00 54.97 58.43 3hbb s GLU 214 Cb -0.16 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 3hbb s GLU 214 CO 0.48 -0.84 0.17 -0.51 -0.54 0.00 0.00 175.26 174.03 3hbb s LEU 215 N 3.48 3.68 -0.11 2.70 1.43 0.11 -4.94 118.68 125.02 3hbb s LEU 215 Ca 0.79 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3hbb s LEU 215 Cb -0.40 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 3hbb s LEU 215 CO 0.35 -0.06 -0.03 -0.89 0.23 0.00 0.00 176.35 175.94 3hbb s THR 216 N -2.19 3.98 -0.08 5.49 2.01 -1.26 -1.33 115.64 122.25 3hbb s THR 216 Ca 0.33 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.75 3hbb s THR 216 Cb -0.07 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 3hbb s THR 216 CO 0.24 0.56 0.68 -0.55 -0.69 0.00 0.00 174.62 174.86 3hbb s SER 217 N -0.41 6.93 -1.45 3.53 0.15 0.30 -4.96 113.70 117.79 3hbb s SER 217 Ca 0.07 1.12 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 3hbb s SER 217 Cb -0.12 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 3hbb s SER 217 CO 0.02 -0.12 2.20 0.00 1.20 0.00 0.00 173.24 176.54 3hbb n ALA 218 N 3.91 5.53 -0.44 5.45 0.00 -1.26 -3.88 120.51 129.82 3hbb n ALA 218 Ca -0.02 -3.91 0.03 0.00 0.00 0.00 0.00 53.44 49.54 3hbb n ALA 218 Cb 0.51 -3.50 0.04 0.00 0.00 0.00 0.00 19.45 16.50 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 5.95 1.84 0.00 0.00 0.23 -1.26 -4.90 115.26 117.12 3hbb n ASN 219 Ca 0.51 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.37 3hbb n ASN 219 Cb 0.39 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.68 2.72 0.54 4.83 0.00 -1.26 -4.80 105.19 106.54 3hbb n GLY 220 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3hbb n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hbb n ASN 221 N 0.00 2.08 -2.50 1.61 3.02 -1.26 -4.99 115.26 113.22 3hbb n ASN 221 Ca 0.00 -1.54 -0.19 0.00 -0.03 0.00 0.00 54.58 52.82 3hbb n ASN 221 Cb 0.00 0.21 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3hbb n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hbb n GLU 222 N 0.47 -2.19 -1.98 3.52 1.02 -1.25 -4.92 120.64 115.31 3hbb n GLU 222 Ca 0.09 0.88 -0.42 0.00 -0.02 0.00 0.00 57.16 57.69 3hbb n GLU 222 Cb 0.39 -5.55 -0.03 0.00 -0.02 0.00 0.00 31.44 26.24 3hbb n GLU 222 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hbb s THR 223 N -2.94 2.64 0.43 2.62 2.01 -1.25 -4.62 115.64 114.53 3hbb s THR 223 Ca 0.04 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 3hbb s THR 223 Cb -0.02 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.08 3hbb s THR 223 CO 0.05 0.06 0.87 -0.54 -0.69 0.00 0.00 174.62 174.37 3hbb s LYS 224 N 0.26 3.97 0.17 4.92 -0.14 -1.26 0.11 119.74 127.76 3hbb s LYS 224 Ca 0.64 0.79 -0.24 0.00 -1.36 0.00 0.00 55.97 55.80 3hbb s LYS 224 Cb -0.43 -2.28 0.06 0.00 -1.68 0.00 0.00 37.83 33.51 3hbb s LYS 224 CO 0.38 -0.07 0.80 1.52 -0.76 0.00 0.00 175.35 177.22 3hbb s TYR 225 N -2.34 -0.27 0.18 3.18 1.13 -0.44 -1.55 117.35 117.24 3hbb s TYR 225 Ca 0.56 -0.04 -0.19 0.00 -1.41 0.00 0.00 57.07 56.00 3hbb s TYR 225 Cb -0.10 0.63 0.04 0.00 -1.10 0.00 0.00 41.96 41.43 3hbb s TYR 225 CO 0.25 -0.91 0.53 1.52 -2.51 0.00 0.00 175.55 174.43 3hbb s TYR 226 N -3.55 -0.25 0.04 -3.49 1.13 -0.77 -0.72 117.35 109.75 3hbb s TYR 226 Ca 0.08 -0.06 0.05 0.00 -1.41 0.00 0.00 57.07 55.73 3hbb s TYR 226 Cb -0.03 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.22 3hbb s TYR 226 CO -0.01 -0.87 -0.10 -0.06 -2.51 0.00 0.00 175.55 171.99 3hbb s PHE 227 N -3.83 2.78 0.00 -3.49 0.08 -1.26 -0.88 117.98 111.38 3hbb s PHE 227 Ca 0.06 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.00 3hbb s PHE 227 Cb -0.01 -1.53 -0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3hbb s PHE 227 CO -0.07 0.36 -0.04 -1.21 -0.10 0.00 0.00 175.22 174.17 3hbb s GLU 228 N -1.64 0.29 -0.24 0.44 2.02 0.05 -1.08 118.70 118.53 3hbb s GLU 228 Ca 0.18 -0.17 -0.05 0.00 0.02 0.00 0.00 54.97 54.95 3hbb s GLU 228 Cb -0.11 -0.26 -0.00 0.00 0.10 0.00 0.00 34.13 33.86 3hbb s GLU 228 CO 0.09 0.07 -0.01 0.21 0.02 0.00 0.00 175.26 175.64 3hbb s LYS 229 N -0.20 3.31 -0.03 1.61 2.20 -0.72 -1.20 119.74 124.71 3hbb s LYS 229 Ca 0.00 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 3hbb s LYS 229 Cb -0.02 -3.12 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 3hbb s LYS 229 CO -0.00 -0.26 0.05 -0.51 -0.36 0.00 0.00 175.35 174.27 3hbb s LEU 230 N 1.49 3.79 0.06 5.43 1.43 0.69 -0.52 118.68 131.05 3hbb s LEU 230 Ca 0.05 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3hbb s LEU 230 Cb -0.15 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3hbb s LEU 230 CO -0.01 0.30 -0.09 0.27 0.23 0.00 0.00 176.35 177.05 3hbb s ILE 231 N -1.10 0.69 -0.12 -0.59 -4.36 0.04 -0.55 121.20 115.21 3hbb s ILE 231 Ca 0.20 -1.32 -0.28 0.00 -0.26 0.00 0.00 60.65 58.99 3hbb s ILE 231 Cb -0.12 -0.94 -0.01 0.00 1.25 0.00 0.00 42.46 42.64 3hbb s ILE 231 CO 0.10 -0.47 0.95 -2.16 0.24 0.00 0.00 174.94 173.61 3hbb s PRO 232 N -2.12 4.39 -0.05 0.37 0.04 -1.26 -0.03 135.00 136.33 3hbb s PRO 232 Ca -0.03 1.28 -0.36 0.00 0.04 0.00 0.00 61.00 61.92 3hbb s PRO 232 Cb -0.07 -3.55 -0.14 0.00 0.04 0.00 0.00 34.50 30.78 3hbb s PRO 232 CO -0.00 -0.31 1.67 -2.13 0.04 0.00 0.00 177.00 176.26 3hbb n ARG 233 N 5.06 1.67 -3.38 4.56 0.63 0.46 -4.46 116.66 121.21 3hbb n ARG 233 Ca 0.07 0.61 -0.43 0.00 -0.92 0.00 0.00 57.85 57.18 3hbb n ARG 233 Cb 0.49 -2.35 -0.01 0.00 0.45 0.00 0.00 32.46 31.04 3hbb n ARG 233 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3hbb n ASN 234 N 4.76 5.34 -0.16 6.15 2.85 -1.26 -4.81 115.26 128.12 3hbb n ASN 234 Ca 0.22 -3.08 0.05 0.00 -0.11 0.00 0.00 54.58 51.66 3hbb n ASN 234 Cb 0.23 -1.31 0.35 0.00 1.24 0.00 0.00 39.78 40.28 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 6.45 0.75 -0.29 1.20 2.47 -1.95 -2.21 114.38 120.79 3hbb h ARG 235 Ca 0.18 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 58.89 3hbb h ARG 235 Cb 0.85 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 3hbb h ARG 235 CO 1.01 0.50 0.06 0.93 0.56 0.00 0.00 179.97 183.03 3hbb h GLU 236 N 0.77 0.17 0.00 0.04 5.08 -1.89 0.11 114.58 118.85 3hbb h GLU 236 Ca 0.28 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3hbb h GLU 236 Cb 0.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hbb h GLU 236 CO -0.09 0.11 -0.45 1.49 -1.00 0.00 0.00 179.01 179.07 3hbb h GLU 237 N 0.17 0.00 -0.19 2.33 4.81 -1.86 -2.75 114.58 117.09 3hbb h GLU 237 Ca 0.14 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3hbb h GLU 237 Cb 0.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hbb h GLU 237 CO -0.17 0.45 -0.21 0.93 -0.73 0.00 0.00 179.01 179.28 3hbb h GLU 238 N 0.00 0.34 -0.39 1.92 5.08 -0.70 -0.84 114.58 119.98 3hbb h GLU 238 Ca -0.00 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3hbb h GLU 238 Cb 0.89 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 3hbb h GLU 238 CO 0.06 0.54 -0.52 1.96 -1.00 0.00 0.00 179.01 180.05 3hbb h GLN 239 N 0.31 -0.38 0.24 2.33 4.20 -0.70 0.23 115.11 121.34 3hbb h GLN 239 Ca 0.05 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3hbb h GLN 239 Cb 0.55 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3hbb h GLN 239 CO 0.04 -0.25 -0.20 -0.92 -0.67 0.00 0.00 178.83 176.82 3hbb h TYR 240 N -0.39 -0.54 -0.89 2.96 3.20 -1.51 -2.12 116.97 117.68 3hbb h TYR 240 Ca 0.09 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3hbb h TYR 240 Cb 0.60 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 38.99 3hbb h TYR 240 CO -0.69 -0.31 0.51 -0.07 -1.64 0.00 0.00 178.16 175.97 3hbb h LEU 241 N -0.46 0.71 -0.73 2.82 3.38 -0.90 -1.13 115.31 119.00 3hbb h LEU 241 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hbb h LEU 241 Cb 0.42 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3hbb h LEU 241 CO -0.03 0.37 0.48 0.28 0.09 0.00 0.00 178.44 179.63 3hbb h SER 242 N 0.80 0.83 -0.28 -0.43 0.02 -0.30 -1.39 113.55 112.80 3hbb h SER 242 Ca 0.45 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 3hbb h SER 242 Cb 0.50 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3hbb h SER 242 CO -0.29 0.60 0.10 0.25 -1.14 0.00 0.00 176.83 176.36 3hbb h LEU 243 N 0.98 0.39 -0.18 5.07 5.85 -0.55 0.96 115.31 127.83 3hbb h LEU 243 Ca 0.27 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3hbb h LEU 243 Cb -0.10 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3hbb h LEU 243 CO -0.06 0.46 -0.05 0.58 -0.34 0.00 0.00 178.44 179.03 3hbb h VAL 244 N 0.30 0.81 -0.85 1.05 2.07 -1.22 0.26 116.25 118.67 3hbb h VAL 244 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 3hbb h VAL 244 Cb 0.20 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3hbb h VAL 244 CO -0.01 0.00 0.55 -0.78 0.02 0.00 0.00 177.57 177.36 3hbb h ASP 245 N -0.00 0.84 0.02 0.57 3.58 -0.93 -1.79 116.42 118.72 3hbb h ASP 245 Ca 0.09 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 3hbb h ASP 245 Cb 0.14 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3hbb h ASP 245 CO -0.19 0.54 -0.43 -0.09 -2.88 0.00 0.00 179.24 176.19 3hbb h ARG 246 N 0.96 0.50 -0.13 0.28 2.43 -0.05 -2.20 114.38 116.17 3hbb h ARG 246 Ca 0.36 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3hbb h ARG 246 Cb 0.19 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3hbb h ARG 246 CO -0.13 0.84 0.01 0.82 -1.51 0.00 0.00 179.97 180.00 3hbb h ILE 247 N 0.41 1.24 -0.32 1.20 2.04 -0.30 0.18 117.51 121.97 3hbb h ILE 247 Ca 0.03 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3hbb h ILE 247 Cb 0.93 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3hbb h ILE 247 CO 0.08 0.23 0.21 0.40 0.00 0.00 0.00 178.15 179.06 3hbb h ILE 248 N -0.03 1.09 -0.09 -0.67 1.08 -1.37 0.18 117.51 117.70 3hbb h ILE 248 Ca 0.04 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 64.26 3hbb h ILE 248 Cb 0.34 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3hbb h ILE 248 CO 0.01 0.08 -0.25 0.03 -0.69 0.00 0.00 178.15 177.33 3hbb h ARG 249 N 0.42 0.33 -0.00 2.37 3.08 -1.33 -3.39 114.38 115.86 3hbb h ARG 249 Ca 0.12 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3hbb h ARG 249 Cb -0.04 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3hbb h ARG 249 CO -0.02 0.85 -0.08 0.39 -1.07 0.00 0.00 179.97 180.03 3hbb n GLU 250 N -4.48 5.41 -1.07 0.04 1.02 0.64 -5.08 120.64 117.12 3hbb n GLU 250 Ca -0.08 -0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.67 3hbb n GLU 250 Cb 0.45 -0.65 0.12 0.00 -0.02 0.00 0.00 31.44 31.34 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 -1.06 1.67 0.07 0.62 0.00 0.64 -4.99 107.32 104.26 3hbb s GLY 251 Ca 0.01 0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.85 3hbb s GLY 251 CO 0.08 0.70 0.53 -1.31 0.00 0.00 0.00 173.10 173.09 3hbb s ASN 252 N -3.17 6.98 -0.05 1.64 0.01 0.12 -4.64 114.94 115.84 3hbb s ASN 252 Ca 0.63 1.18 -0.30 0.00 -0.71 0.00 0.00 52.86 53.66 3hbb s ASN 252 Cb -0.19 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 3hbb s ASN 252 CO 0.57 0.27 1.31 -0.69 -1.51 0.00 0.00 177.10 177.05 3hbb s VAL 253 N -1.14 4.00 0.16 1.60 1.01 -1.26 0.38 120.40 125.16 3hbb s VAL 253 Ca 0.29 1.33 0.02 0.00 0.00 0.00 0.00 61.98 63.62 3hbb s VAL 253 Cb -0.18 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3hbb s VAL 253 CO 0.18 -0.02 -0.02 -0.54 0.00 0.00 0.00 175.10 174.70 3hbb s LYS 254 N 2.54 1.07 -0.11 2.72 1.02 0.14 -4.95 119.74 122.17 3hbb s LYS 254 Ca 0.60 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 55.09 3hbb s LYS 254 Cb -0.27 -0.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.75 3hbb s LYS 254 CO 0.23 -0.09 -0.10 -1.01 -0.92 0.00 0.00 175.35 173.46 3hbb s HIS 255 N -3.61 1.61 1.11 3.18 3.76 -1.26 0.18 115.29 120.26 3hbb s HIS 255 Ca 0.22 -0.78 -0.19 0.00 -0.15 0.00 0.00 55.06 54.16 3hbb s HIS 255 Cb 0.06 -1.26 0.26 0.00 1.11 0.00 0.00 32.58 32.75 3hbb s HIS 255 CO 0.02 -0.48 1.24 0.16 -0.85 0.00 0.00 174.74 174.84 3hbb s ASP 256 N 1.39 1.80 0.22 1.40 1.47 -0.92 -4.85 116.67 117.18 3hbb s ASP 256 Ca -0.00 0.32 -0.10 0.00 1.18 0.00 0.00 52.55 53.95 3hbb s ASP 256 Cb -0.13 -0.36 0.32 0.00 -0.34 0.00 0.00 42.92 42.41 3hbb s ASP 256 CO -0.05 -3.55 1.66 0.03 0.68 0.00 0.00 175.17 173.93 3hbb h ARG 257 N -2.20 0.12 -0.28 2.11 3.08 -2.01 -0.20 114.38 115.00 3hbb h ARG 257 Ca -0.43 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.64 3hbb h ARG 257 Cb 1.25 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 3hbb h ARG 257 CO 0.31 0.08 0.08 1.79 -1.07 0.00 0.00 179.97 181.15 3hbb h THR 258 N 0.12 0.90 0.00 2.04 1.35 -2.06 -3.46 112.91 111.81 3hbb h THR 258 Ca 0.34 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 3hbb h THR 258 Cb 0.56 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3hbb h THR 258 CO -0.55 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.36 3hbb n GLY 259 N -1.19 -0.00 3.76 5.82 0.00 -0.09 -5.13 105.19 108.36 3hbb n GLY 259 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.88 3.35 0.62 1.61 1.01 -1.26 -4.79 120.40 120.06 3hbb s VAL 260 Ca 0.00 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.13 3hbb s VAL 260 Cb 0.00 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3hbb s VAL 260 CO 0.00 0.27 1.07 -0.83 0.00 0.00 0.00 175.10 175.61 3hbb s GLY 261 N -0.91 2.08 -0.13 4.51 0.00 -1.26 -2.16 107.32 109.45 3hbb s GLY 261 Ca 0.48 0.39 -0.21 0.00 0.00 0.00 0.00 44.72 45.39 3hbb s GLY 261 CO 0.41 0.72 0.52 -1.08 0.00 0.00 0.00 173.10 173.67 3hbb s THR 262 N -2.49 0.01 -0.17 0.90 -1.32 0.13 -2.77 115.64 109.93 3hbb s THR 262 Ca 0.64 -0.10 -0.07 0.00 -1.21 0.00 0.00 61.69 60.95 3hbb s THR 262 Cb -0.17 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3hbb s THR 262 CO 0.40 -0.05 0.06 -0.76 -2.21 0.00 0.00 174.62 172.05 3hbb s LEU 263 N -0.37 3.80 0.01 9.08 1.43 0.84 0.28 118.68 133.75 3hbb s LEU 263 Ca -0.05 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3hbb s LEU 263 Cb -0.03 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 3hbb s LEU 263 CO 0.03 0.20 -0.07 -0.55 0.23 0.00 0.00 176.35 176.19 3hbb s SER 264 N 0.24 0.78 0.13 2.29 0.15 0.16 -0.63 113.70 116.83 3hbb s SER 264 Ca 0.04 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 56.54 3hbb s SER 264 Cb -0.12 -0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 3hbb s SER 264 CO 0.00 0.02 -0.14 -0.51 1.20 0.00 0.00 173.24 173.82 3hbb s ILE 265 N -0.40 1.36 -0.19 6.45 2.07 0.55 0.15 121.20 131.19 3hbb s ILE 265 Ca 0.00 -1.80 0.01 0.00 -1.41 0.00 0.00 60.65 57.45 3hbb s ILE 265 Cb -0.04 -1.61 0.04 0.00 0.13 0.00 0.00 42.46 40.97 3hbb s ILE 265 CO -0.00 -0.46 -0.13 0.12 -1.91 0.00 0.00 174.94 172.55 3hbb s PHE 266 N -2.33 2.58 0.00 3.50 5.36 -1.26 -0.61 117.98 125.22 3hbb s PHE 266 Ca 0.11 -1.65 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 3hbb s PHE 266 Cb -0.04 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 3hbb s PHE 266 CO 0.03 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.44 3hbb n GLY 267 N 4.65 -1.09 3.51 13.12 0.00 -0.03 -5.01 105.19 120.34 3hbb n GLY 267 Ca -0.16 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.54 -0.10 4.61 0.00 -0.86 -4.98 121.76 118.90 3hbb s ALA 268 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 3hbb s ALA 268 Cb 0.00 0.86 0.03 0.00 0.00 0.00 0.00 23.12 24.01 3hbb s ALA 268 CO 0.00 -0.82 0.26 -1.14 0.00 0.00 0.00 175.76 174.06 3hbb s GLN 269 N -3.75 0.28 0.07 0.00 0.74 -1.26 -0.78 119.66 114.95 3hbb s GLN 269 Ca 0.03 0.41 0.03 0.00 0.05 0.00 0.00 55.36 55.89 3hbb s GLN 269 Cb -0.02 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.14 3hbb s GLN 269 CO -0.09 -0.07 -0.10 -1.64 -0.55 0.00 0.00 175.29 172.84 3hbb s MET 270 N 0.45 0.71 0.07 1.67 -1.94 0.31 -4.98 119.30 115.59 3hbb s MET 270 Ca -0.03 -0.94 0.09 0.00 -1.71 0.00 0.00 55.69 53.10 3hbb s MET 270 Cb -0.04 -0.51 -0.03 0.00 2.01 0.00 0.00 34.83 36.26 3hbb s MET 270 CO -0.02 0.09 -0.24 1.03 -0.01 0.00 0.00 175.02 175.88 3hbb s ARG 271 N -2.03 1.47 -0.04 2.03 0.52 -1.26 0.16 118.95 119.80 3hbb s ARG 271 Ca -0.03 -1.10 -0.01 0.00 -0.52 0.00 0.00 55.73 54.06 3hbb s ARG 271 Cb -0.08 -1.70 0.03 0.00 0.52 0.00 0.00 34.95 33.73 3hbb s ARG 271 CO 0.01 0.42 0.06 -0.06 0.02 0.00 0.00 175.30 175.75 3hbb s PHE 272 N -0.91 0.02 0.16 -0.53 0.08 0.20 -4.85 117.98 112.16 3hbb s PHE 272 Ca 0.10 0.24 -0.30 0.00 0.12 0.00 0.00 56.93 57.09 3hbb s PHE 272 Cb -0.10 -0.36 -0.08 0.00 -0.57 0.00 0.00 43.02 41.92 3hbb s PHE 272 CO 0.03 -0.16 1.21 0.45 -0.10 0.00 0.00 175.22 176.65 3hbb s SER 273 N 1.73 7.07 0.00 1.36 0.15 -1.26 -0.28 113.70 122.46 3hbb s SER 273 Ca -0.01 2.21 0.14 0.00 0.70 0.00 0.00 55.95 58.98 3hbb s SER 273 Cb -0.12 -2.60 0.21 0.00 -1.71 0.00 0.00 66.02 61.79 3hbb s SER 273 CO -0.03 -0.41 1.07 0.18 1.20 0.00 0.00 173.24 175.25 3hbb n LEU 274 N 2.83 2.51 -4.71 3.45 4.77 0.22 -4.69 117.00 121.36 3hbb n LEU 274 Ca 0.06 -1.36 -0.37 0.00 -0.03 0.00 0.00 56.01 54.30 3hbb n LEU 274 Cb 0.45 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3hbb n LEU 274 CO 0.56 0.53 0.86 0.54 -1.33 0.00 0.00 177.39 178.55 3hbb n ARG 275 N 0.77 1.20 -3.91 3.23 1.74 -1.19 -3.46 116.66 115.03 3hbb n ARG 275 Ca 0.10 0.46 -0.31 0.00 -0.77 0.00 0.00 57.85 57.34 3hbb n ARG 275 Cb 0.39 -2.48 -0.00 0.00 -1.02 0.00 0.00 32.46 29.35 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 -1.53 -2.31 -0.89 0.55 3.02 -1.26 -1.49 115.26 111.34 3hbb n ASN 276 Ca 0.14 -1.07 -0.12 0.00 -0.03 0.00 0.00 54.58 53.51 3hbb n ASN 276 Cb 0.47 -2.87 -0.05 0.00 -0.61 0.00 0.00 39.78 36.73 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 -2.77 -5.24 -4.69 6.41 4.13 -1.25 -4.95 115.26 106.90 3hbb n ASN 277 Ca -0.22 0.29 -0.42 0.00 1.68 0.00 0.00 54.58 55.91 3hbb n ASN 277 Cb 0.64 -3.77 -0.03 0.00 -1.54 0.00 0.00 39.78 35.09 3hbb n ASN 277 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3hbb s ARG 278 N -2.87 4.46 -0.21 3.52 3.52 -0.55 -1.19 118.95 125.63 3hbb s ARG 278 Ca 0.00 1.38 -0.01 0.00 -0.13 0.00 0.00 55.73 56.97 3hbb s ARG 278 Cb 0.00 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 3hbb s ARG 278 CO 0.00 -0.23 -0.12 -1.17 -0.81 0.00 0.00 175.30 172.97 3hbb s LEU 279 N 1.69 2.58 -1.26 -0.88 2.96 -0.63 -4.38 118.68 118.76 3hbb s LEU 279 Ca 0.49 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 3hbb s LEU 279 Cb -0.19 -1.60 -0.07 0.00 0.50 0.00 0.00 46.19 44.83 3hbb s LEU 279 CO 0.21 -0.03 2.48 -0.81 -1.32 0.00 0.00 176.35 176.88 3hbb n PRO 280 N 4.68 2.81 -2.99 0.98 -0.04 -1.26 -3.65 135.00 135.53 3hbb n PRO 280 Ca -0.19 -1.88 -0.41 0.00 -0.04 0.00 0.00 63.50 60.97 3hbb n PRO 280 Cb 0.50 -2.69 -0.05 0.00 -0.04 0.00 0.00 33.50 31.22 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 0.33 4.09 0.36 1.53 1.43 -1.26 -4.43 118.68 120.74 3hbb s LEU 281 Ca 0.54 0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 54.05 3hbb s LEU 281 Cb 0.14 -3.01 -0.11 0.00 0.03 0.00 0.00 46.19 43.24 3hbb s LEU 281 CO -0.04 -0.53 1.50 -0.76 0.23 0.00 0.00 176.35 176.74 3hbb s LEU 282 N 2.80 4.32 -0.04 1.79 1.43 -1.26 -4.64 118.68 123.09 3hbb s LEU 282 Ca 0.30 3.03 0.22 0.00 -1.03 0.00 0.00 54.13 56.65 3hbb s LEU 282 Cb -0.15 -3.66 -0.34 0.00 0.03 0.00 0.00 46.19 42.08 3hbb s LEU 282 CO 0.11 -0.87 0.47 0.35 0.23 0.00 0.00 176.35 176.63 3hbb n THR 283 N 0.72 0.05 0.78 5.49 -2.24 -1.26 -4.34 114.28 113.49 3hbb n THR 283 Ca 0.02 -0.51 0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3hbb n THR 283 Cb 0.39 -0.02 0.51 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.28 0.35 -3.58 4.28 -2.24 -1.26 -0.86 114.28 108.69 3hbb n THR 284 Ca -0.05 -0.10 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 3hbb n THR 284 Cb 0.59 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -3.06 0.48 0.16 -0.78 2.20 -1.26 -4.69 119.74 112.79 3hbb s LYS 285 Ca 0.12 1.21 -0.34 0.00 -0.36 0.00 0.00 55.97 56.60 3hbb s LYS 285 Cb 0.15 0.58 -0.15 0.00 -1.51 0.00 0.00 37.83 36.91 3hbb s LYS 285 CO 0.54 -0.29 1.46 -2.13 -0.36 0.00 0.00 175.35 174.56 3hbb n ARG 286 N 5.42 1.81 -3.61 4.03 0.63 -1.26 -4.74 116.66 118.94 3hbb n ARG 286 Ca -0.09 0.65 -0.34 0.00 -0.92 0.00 0.00 57.85 57.15 3hbb n ARG 286 Cb 0.49 -2.35 -0.05 0.00 0.45 0.00 0.00 32.46 31.00 3hbb n ARG 286 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hbb s VAL 287 N 0.54 5.13 -1.29 5.15 1.01 -1.26 -5.01 120.40 124.67 3hbb s VAL 287 Ca 0.78 0.38 -0.18 0.00 0.00 0.00 0.00 61.98 62.95 3hbb s VAL 287 Cb -0.75 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.03 3hbb s VAL 287 CO 0.43 0.28 1.84 0.33 0.00 0.00 0.00 175.10 177.98 3hbb n PHE 288 N 0.86 4.15 -0.26 5.22 7.35 -1.26 -4.81 117.46 128.70 3hbb n PHE 288 Ca -0.08 -2.62 -0.05 0.00 -0.76 0.00 0.00 57.45 53.94 3hbb n PHE 288 Cb 0.52 -2.60 0.06 0.00 0.35 0.00 0.00 39.48 37.81 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 7.70 0.95 -0.79 -5.13 2.91 -1.99 -1.64 115.95 117.98 3hbb h TRP 289 Ca 0.43 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.51 3hbb h TRP 289 Cb 0.84 -0.31 -0.06 0.00 -0.51 0.00 0.00 29.16 29.12 3hbb h TRP 289 CO 1.39 0.64 0.47 -0.09 -1.03 0.00 0.00 178.44 179.82 3hbb h ARG 290 N 0.99 0.84 -0.43 2.65 2.43 -1.99 0.22 114.38 119.09 3hbb h ARG 290 Ca 0.26 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 3hbb h ARG 290 Cb -0.04 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 3hbb h ARG 290 CO -0.05 0.56 -0.17 0.78 -1.51 0.00 0.00 179.97 179.57 3hbb h GLY 291 N 0.87 0.95 0.27 2.80 0.00 -1.90 -0.68 103.07 105.38 3hbb h GLY 291 Ca 0.35 -0.83 0.06 0.00 0.00 0.00 0.00 47.33 46.90 3hbb h GLY 291 CO -0.17 0.76 -0.19 -2.08 0.00 0.00 0.00 176.54 174.85 3hbb h VAL 292 N 0.70 0.48 -0.37 4.60 2.07 -0.27 -0.81 116.25 122.65 3hbb h VAL 292 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3hbb h VAL 292 Cb 0.73 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3hbb h VAL 292 CO 0.06 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.84 3hbb h GLU 294 N 0.47 0.90 -0.17 0.00 4.39 -0.85 -2.77 114.58 116.55 3hbb h GLU 294 Ca 0.13 -0.23 -0.17 0.00 0.34 0.00 0.00 59.36 59.43 3hbb h GLU 294 Cb 0.09 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3hbb h GLU 294 CO -0.02 0.86 -0.56 1.49 -1.16 0.00 0.00 179.01 179.62 3hbb h GLU 295 N 0.85 0.68 -0.36 2.33 4.81 -1.08 -1.86 114.58 119.95 3hbb h GLU 295 Ca 0.17 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3hbb h GLU 295 Cb 0.42 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3hbb h GLU 295 CO 0.01 1.12 0.19 1.25 -0.73 0.00 0.00 179.01 180.85 3hbb h LEU 296 N 0.38 0.46 -0.94 1.64 5.85 -1.40 0.35 115.31 121.64 3hbb h LEU 296 Ca -0.02 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3hbb h LEU 296 Cb 1.18 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 3hbb h LEU 296 CO 0.12 0.43 0.57 -0.07 -0.34 0.00 0.00 178.44 179.15 3hbb h LEU 297 N 0.45 1.12 -0.89 2.25 4.07 -1.51 0.21 115.31 121.01 3hbb h LEU 297 Ca 0.13 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.03 3hbb h LEU 297 Cb 0.08 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.50 3hbb h LEU 297 CO -0.02 0.85 0.58 -0.25 -1.08 0.00 0.00 178.44 178.52 3hbb h TRP 298 N 1.29 1.14 0.65 1.13 7.01 -0.85 -2.15 115.95 124.16 3hbb h TRP 298 Ca 0.34 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.32 3hbb h TRP 298 Cb -0.06 -0.38 0.01 0.00 -2.10 0.00 0.00 29.16 26.62 3hbb h TRP 298 CO 0.00 0.73 -0.31 0.74 -2.79 0.00 0.00 178.44 176.81 3hbb h PHE 299 N 1.22 -0.81 -0.96 2.65 0.04 0.86 -2.08 116.94 117.86 3hbb h PHE 299 Ca 0.33 -0.02 0.25 0.00 2.80 0.00 0.00 57.97 61.32 3hbb h PHE 299 Cb -0.12 0.27 -0.06 0.00 2.20 0.00 0.00 35.95 38.24 3hbb h PHE 299 CO -0.01 -0.47 0.65 -0.07 -0.60 0.00 0.00 178.31 177.81 3hbb h LEU 300 N -1.01 0.26 0.00 1.54 3.38 -0.52 0.51 115.31 119.47 3hbb h LEU 300 Ca -0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hbb h LEU 300 Cb 0.71 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3hbb h LEU 300 CO 0.15 0.08 0.00 0.54 0.09 0.00 0.00 178.44 179.30 3hbb n ARG 301 N -4.44 0.73 -2.22 1.13 1.74 -0.82 -4.89 116.66 107.89 3hbb n ARG 301 Ca 0.21 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.16 3hbb n ARG 301 Cb 0.87 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.80 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 0.97 -0.11 3.76 -0.13 0.00 0.18 -4.98 105.19 104.87 3hbb n GLY 302 Ca 0.19 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3hbb n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbb s GLU 303 N -4.61 4.75 0.00 1.61 2.56 -0.78 -4.00 118.70 118.23 3hbb s GLU 303 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 54.97 56.34 3hbb s GLU 303 Cb 0.00 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.85 3hbb s GLU 303 CO 0.00 0.51 0.24 0.25 -0.56 0.00 0.00 175.26 175.70 3hbb n THR 304 N 1.64 0.00 -2.91 -1.70 -2.24 -1.26 -4.60 114.28 103.21 3hbb n THR 304 Ca -0.03 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 3hbb n THR 304 Cb 0.48 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.36 3.16 0.15 4.78 5.04 -1.26 -2.24 117.35 126.61 3hbb s TYR 305 Ca 0.00 0.77 0.12 0.00 -2.44 0.00 0.00 57.07 55.52 3hbb s TYR 305 Cb 0.00 -3.36 0.25 0.00 0.35 0.00 0.00 41.96 39.20 3hbb s TYR 305 CO 0.00 -0.66 1.53 0.00 -1.34 0.00 0.00 175.55 175.09 3hbb h ALA 306 N 8.25 0.78 -0.79 3.97 0.00 -1.33 -3.14 119.26 127.01 3hbb h ALA 306 Ca -0.24 -0.58 0.22 0.00 0.00 0.00 0.00 54.91 54.31 3hbb h ALA 306 Cb 1.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3hbb h ALA 306 CO 0.91 0.80 0.56 -0.22 0.00 0.00 0.00 179.25 181.30 3hbb h LYS 307 N 0.00 0.07 0.00 0.00 3.64 -1.91 0.66 116.57 119.03 3hbb h LYS 307 Ca -0.01 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hbb h LYS 307 Cb 1.26 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3hbb h LYS 307 CO 0.08 0.04 -0.05 0.87 -2.27 0.00 0.00 179.45 178.13 3hbb h LYS 308 N 0.07 0.00 0.09 1.90 1.57 -1.95 0.72 116.57 118.97 3hbb h LYS 308 Ca 0.38 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.86 3hbb h LYS 308 Cb 1.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 3hbb h LYS 308 CO -0.03 0.05 -1.60 -0.07 -0.57 0.00 0.00 179.45 177.22 3hbb h LEU 309 N 0.00 0.31 -0.54 2.94 4.07 -1.11 -3.31 115.31 117.66 3hbb h LEU 309 Ca -0.00 -0.81 0.08 0.00 0.08 0.00 0.00 57.88 57.22 3hbb h LEU 309 Cb 0.12 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.69 3hbb h LEU 309 CO 0.01 1.68 0.20 -1.28 -1.08 0.00 0.00 178.44 177.97 3hbb h SER 310 N -0.32 0.20 -0.93 -0.43 0.87 -0.67 0.14 113.55 112.41 3hbb h SER 310 Ca -0.36 0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.37 3hbb h SER 310 Cb 1.76 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 63.69 3hbb h SER 310 CO 0.01 0.14 0.57 0.44 -0.53 0.00 0.00 176.83 177.45 3hbb h ASP 311 N 0.38 0.84 -0.16 6.23 3.32 0.25 -0.70 116.42 126.58 3hbb h ASP 311 Ca 0.27 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hbb h ASP 311 Cb 0.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3hbb h ASP 311 CO -0.27 0.47 0.00 0.29 -1.72 0.00 0.00 179.24 178.01 3hbb n LYS 312 N -4.66 1.88 -1.32 3.56 5.02 -0.70 -4.87 118.16 117.08 3hbb n LYS 312 Ca 0.16 -0.79 -0.07 0.00 -2.02 0.00 0.00 58.31 55.59 3hbb n LYS 312 Cb 0.30 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.30 0.84 3.26 0.72 0.00 -0.27 -5.01 105.19 105.03 3hbb n GLY 313 Ca 0.07 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.28 3.82 -0.45 1.61 1.01 0.39 -4.97 120.40 119.53 3hbb s VAL 314 Ca 0.00 -1.22 0.16 0.00 0.00 0.00 0.00 61.98 60.91 3hbb s VAL 314 Cb 0.00 -3.21 0.58 0.00 0.00 0.00 0.00 36.38 33.75 3hbb s VAL 314 CO 0.00 -0.25 1.49 1.41 0.00 0.00 0.00 175.10 177.74 3hbb n HIS 315 N 4.81 1.16 0.31 5.22 8.25 -1.26 -2.39 115.22 131.32 3hbb n HIS 315 Ca -0.11 -0.75 0.17 0.00 -0.26 0.00 0.00 57.72 56.77 3hbb n HIS 315 Cb 0.44 -0.30 0.98 0.00 1.12 0.00 0.00 29.99 32.24 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 2.58 0.33 -0.36 1.59 3.07 -1.95 -1.32 117.51 121.46 3hbb h ILE 316 Ca 0.00 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.30 3hbb h ILE 316 Cb 1.44 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 3hbb h ILE 316 CO 0.24 0.02 0.00 0.79 -1.05 0.00 0.00 178.15 178.15 3hbb n TRP 317 N -3.53 0.47 -0.15 0.16 7.02 -1.26 -4.69 117.44 115.46 3hbb n TRP 317 Ca -0.03 -0.35 -0.08 0.00 -1.02 0.00 0.00 57.50 56.02 3hbb n TRP 317 Cb 0.11 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 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 2.99 0.56 -0.08 -0.99 5.19 -1.55 -1.99 116.42 120.55 3hbb h ASP 318 Ca 0.00 -0.10 -0.14 0.00 -0.62 0.00 0.00 57.03 56.17 3hbb h ASP 318 Cb 0.78 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 3hbb h ASP 318 CO 0.00 0.50 -0.42 0.44 -3.12 0.00 0.00 179.24 176.64 3hbb h ASP 319 N 0.58 0.65 1.07 6.45 3.32 -1.84 -2.97 116.42 123.69 3hbb h ASP 319 Ca 0.15 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3hbb h ASP 319 Cb 0.07 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3hbb h ASP 319 CO -0.02 0.99 0.00 0.59 -1.72 0.00 0.00 179.24 179.08 3hbb n ASN 320 N -4.02 0.18 -0.72 6.45 5.03 -1.13 -3.45 115.26 117.60 3hbb n ASN 320 Ca -0.02 0.52 0.09 0.00 0.87 0.00 0.00 54.58 56.04 3hbb n ASN 320 Cb 0.53 -0.57 0.07 0.00 -1.02 0.00 0.00 39.78 38.80 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 1.37 0.41 3.81 7.41 0.00 -0.76 -4.55 105.19 112.88 3hbb n GLY 321 Ca 0.06 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.58 6.10 0.22 1.61 1.04 -1.17 -0.04 113.70 119.88 3hbb s SER 322 Ca 0.21 1.82 -0.10 0.00 0.48 0.00 0.00 55.95 58.37 3hbb s SER 322 Cb 0.15 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 64.05 3hbb s SER 322 CO 0.25 -0.94 1.68 -0.09 0.98 0.00 0.00 173.24 175.11 3hbb h ARG 323 N 0.92 0.18 -0.49 4.02 9.65 -1.94 -0.78 114.38 125.95 3hbb h ARG 323 Ca -0.48 -0.01 0.09 0.00 -1.10 0.00 0.00 59.98 58.49 3hbb h ARG 323 Cb 1.22 -0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 29.65 3hbb h ARG 323 CO 0.59 0.12 -0.28 0.00 2.80 0.00 0.00 179.97 183.19 3hbb h ALA 324 N 1.54 -0.00 -0.09 2.80 0.00 -1.94 -1.19 119.26 120.37 3hbb h ALA 324 Ca 0.33 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 3hbb h ALA 324 Cb 0.53 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hbb h ALA 324 CO -0.48 -0.64 -0.20 0.35 0.00 0.00 0.00 179.25 178.29 3hbb h PHE 325 N -0.17 0.38 -0.86 0.00 3.57 -1.64 -2.85 116.94 115.37 3hbb h PHE 325 Ca 0.21 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3hbb h PHE 325 Cb 0.52 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 3hbb h PHE 325 CO -0.55 0.81 0.57 -0.07 -2.23 0.00 0.00 178.31 176.84 3hbb h LEU 326 N -0.17 0.96 -0.53 0.59 3.38 -0.98 -0.81 115.31 117.76 3hbb h LEU 326 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3hbb h LEU 326 Cb 0.79 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3hbb h LEU 326 CO 0.04 0.68 0.27 0.44 0.09 0.00 0.00 178.44 179.97 3hbb h ASP 327 N 1.13 0.68 0.40 -0.43 3.32 -1.27 0.34 116.42 120.58 3hbb h ASP 327 Ca 0.33 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3hbb h ASP 327 Cb -0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3hbb h ASP 327 CO -0.08 0.59 0.00 -1.54 -1.72 0.00 0.00 179.24 176.49 3hbb n SER 328 N -4.61 0.47 -1.09 6.45 3.41 -0.37 0.08 113.62 117.96 3hbb n SER 328 Ca 0.03 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.39 3hbb n SER 328 Cb 0.10 -0.74 0.25 0.00 -0.26 0.00 0.00 64.21 63.56 3hbb n SER 328 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hbb n ARG 329 N -2.06 2.65 -1.00 4.33 5.12 -0.82 -4.95 116.66 119.92 3hbb n ARG 329 Ca 0.01 -2.38 -0.00 0.00 -1.93 0.00 0.00 57.85 53.55 3hbb n ARG 329 Cb 0.14 -1.46 -0.00 0.00 -1.16 0.00 0.00 32.46 29.97 3hbb n ARG 329 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hbb n GLY 330 N 1.27 0.27 2.48 -0.13 0.00 0.11 -4.90 105.19 104.29 3hbb n GLY 330 Ca 0.19 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.02 8.09 0.01 0.99 4.77 0.07 -4.73 117.00 126.18 3hbb n LEU 331 Ca -0.00 -4.82 0.11 0.00 -0.03 0.00 0.00 56.01 51.27 3hbb n LEU 331 Cb 0.24 -1.39 0.46 0.00 -2.33 0.00 0.00 43.42 40.40 3hbb n LEU 331 CO 0.00 2.04 0.84 0.35 -1.33 0.00 0.00 177.39 179.29 3hbb n THR 332 N 2.02 0.53 0.84 -5.08 -2.24 -1.26 -2.69 114.28 106.41 3hbb n THR 332 Ca 0.64 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 62.63 3hbb n THR 332 Cb 0.25 -0.77 0.02 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.55 1.57 -2.52 -0.78 1.02 -1.26 -4.93 120.64 112.18 3hbb n GLU 333 Ca 0.05 -1.12 -0.41 0.00 -0.02 0.00 0.00 57.16 55.66 3hbb n GLU 333 Cb 0.26 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 3hbb n GLU 333 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3hbb s TYR 334 N -2.02 3.58 0.61 -0.32 2.02 -1.09 -5.03 117.35 115.10 3hbb s TYR 334 Ca 0.18 1.58 -0.19 0.00 -0.37 0.00 0.00 57.07 58.26 3hbb s TYR 334 Cb 0.16 -3.28 -0.02 0.00 -0.40 0.00 0.00 41.96 38.41 3hbb s TYR 334 CO 0.42 -0.64 1.28 -2.00 -1.57 0.00 0.00 175.55 173.04 3hbb s GLU 335 N -0.16 2.77 0.20 -0.62 2.12 -1.26 -4.92 118.70 116.82 3hbb s GLU 335 Ca 0.50 2.03 -0.32 0.00 0.36 0.00 0.00 54.97 57.54 3hbb s GLU 335 Cb -0.29 -1.94 -0.12 0.00 0.26 0.00 0.00 34.13 32.04 3hbb s GLU 335 CO 0.34 -1.42 1.73 -1.91 -0.54 0.00 0.00 175.26 173.46 3hbb n GLU 336 N -1.67 2.78 0.00 4.30 2.13 -1.26 -1.47 120.64 125.46 3hbb n GLU 336 Ca 0.14 1.00 0.00 0.00 0.66 0.00 0.00 57.16 58.97 3hbb n GLU 336 Cb 0.48 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.33 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 4.11 0.00 -2.29 5.31 2.81 0.94 -4.89 117.12 123.10 3hbb n MET 337 Ca 0.16 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.62 3hbb n MET 337 Cb 0.35 -0.71 -0.02 0.00 -0.71 0.00 0.00 33.22 32.12 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 -1.73 6.57 0.00 7.83 -1.08 -0.54 -0.78 116.67 126.93 3hbb s ASP 338 Ca 0.00 1.41 0.23 0.00 -0.52 0.00 0.00 52.55 53.66 3hbb s ASP 338 Cb 0.00 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.19 3hbb s ASP 338 CO 0.00 -1.14 1.28 0.18 0.52 0.00 0.00 175.17 176.02 3hbb n LEU 339 N 7.90 3.10 0.00 -1.34 4.77 -0.95 -4.71 117.00 125.77 3hbb n LEU 339 Ca 0.16 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3hbb n LEU 339 Cb 0.46 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3hbb n LEU 339 CO 0.63 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3hbb n GLY 340 N 1.34 -2.16 2.44 -0.72 0.00 -1.26 -1.42 105.19 103.41 3hbb n GLY 340 Ca 0.15 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.22 2.25 -1.93 1.61 -0.04 -1.26 -4.82 135.00 130.59 3hbb n PRO 341 Ca 0.00 -1.42 -0.29 0.00 -0.04 0.00 0.00 63.50 61.75 3hbb n PRO 341 Cb 0.00 -2.37 0.08 0.00 -0.04 0.00 0.00 33.50 31.17 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 2.72 2.29 0.00 0.52 -7.23 -1.26 -4.41 120.40 113.03 3hbb s VAL 342 Ca 0.47 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 3hbb s VAL 342 Cb 0.15 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 34.00 3hbb s VAL 342 CO -0.03 -0.11 0.00 -1.22 -0.31 0.00 0.00 175.10 173.43 3hbb n TYR 343 N -3.23 0.00 -0.34 2.82 4.01 -1.26 -0.71 117.16 118.45 3hbb n TYR 343 Ca 0.08 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 58.02 3hbb n TYR 343 Cb 0.60 0.00 0.43 0.00 -0.31 0.00 0.00 39.34 40.06 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 1.88 1.01 2.72 0.00 -1.83 0.32 103.07 107.17 3hbb h GLY 344 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hbb h GLY 344 CO 0.00 -0.31 0.59 -2.75 0.00 0.00 0.00 176.54 174.06 3hbb h PHE 345 N 0.48 1.12 -0.03 5.60 3.04 -1.05 -0.77 116.94 125.33 3hbb h PHE 345 Ca 0.67 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.52 3hbb h PHE 345 Cb 1.42 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 3hbb h PHE 345 CO -0.01 0.71 -0.55 1.96 -2.02 0.00 0.00 178.31 178.41 3hbb h GLN 346 N 1.21 0.10 -0.34 1.11 1.08 -0.44 0.57 115.11 118.39 3hbb h GLN 346 Ca 0.33 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.43 3hbb h GLN 346 Cb -0.13 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3hbb h GLN 346 CO -0.07 0.62 0.09 -1.49 -0.95 0.00 0.00 178.83 177.03 3hbb h TRP 347 N 0.08 0.57 0.00 2.96 4.06 -0.48 -2.96 115.95 120.17 3hbb h TRP 347 Ca -0.00 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 3hbb h TRP 347 Cb 1.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.99 3hbb h TRP 347 CO 0.01 0.57 -1.80 0.54 -3.56 0.00 0.00 178.44 174.20 3hbb n ARG 348 N -4.63 0.53 -2.71 0.49 5.12 -0.37 -1.21 116.66 113.88 3hbb n ARG 348 Ca -0.01 -0.16 -0.06 0.00 -1.93 0.00 0.00 57.85 55.68 3hbb n ARG 348 Cb 0.19 -1.41 0.04 0.00 -1.16 0.00 0.00 32.46 30.11 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 -2.11 1.13 -1.66 -1.55 8.25 0.20 -3.54 115.22 115.94 3hbb n HIS 349 Ca -0.03 -2.60 -0.45 0.00 -0.26 0.00 0.00 57.72 54.38 3hbb n HIS 349 Cb 0.46 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.22 2.14 -0.87 4.41 -0.00 0.07 -1.81 117.46 121.19 3hbb n PHE 350 Ca 0.08 0.40 0.00 0.00 -0.00 0.00 0.00 57.45 57.94 3hbb n PHE 350 Cb 0.81 -2.47 0.00 0.00 -0.00 0.00 0.00 39.48 37.82 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 2.51 0.43 3.74 7.13 0.00 -1.26 -1.26 105.19 116.47 3hbb n GLY 351 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.16 3.46 0.15 4.61 0.00 -0.75 -4.84 121.76 122.24 3hbb s ALA 352 Ca 0.00 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 3hbb s ALA 352 Cb 0.00 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 3hbb s ALA 352 CO 0.00 -0.42 1.77 0.00 0.00 0.00 0.00 175.76 177.11 3hbb s ALA 353 N -0.09 3.82 -0.10 0.00 0.00 -1.26 -4.99 121.76 119.13 3hbb s ALA 353 Ca 0.53 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.88 3hbb s ALA 353 Cb -0.34 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 3hbb s ALA 353 CO 0.38 -1.10 0.19 -0.47 0.00 0.00 0.00 175.76 174.77 3hbb s TYR 354 N 2.15 3.62 0.00 0.00 5.04 -1.26 -5.01 117.35 121.89 3hbb s TYR 354 Ca 0.78 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 3hbb s TYR 354 Cb -0.47 -2.02 0.00 0.00 0.35 0.00 0.00 41.96 39.82 3hbb s TYR 354 CO 0.34 0.70 0.00 0.25 -1.34 0.00 0.00 175.55 175.50 3hbb n THR 355 N 2.02 0.00 -4.14 4.34 -2.24 -1.26 -5.08 114.28 107.92 3hbb n THR 355 Ca -0.19 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 3hbb n THR 355 Cb 0.54 -0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.61 0.78 0.20 4.78 0.09 -1.26 -5.00 115.29 114.27 3hbb s HIS 356 Ca 0.00 -1.11 -0.11 0.00 -0.00 0.00 0.00 55.06 53.84 3hbb s HIS 356 Cb 0.00 -0.48 0.15 0.00 -0.00 0.00 0.00 32.58 32.26 3hbb s HIS 356 CO 0.00 -0.39 1.87 1.12 -0.00 0.00 0.00 174.74 177.34 3hbb h HIS 357 N 2.96 0.88 0.00 1.40 2.07 -1.97 -2.86 115.15 117.64 3hbb h HIS 357 Ca -0.35 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 3hbb h HIS 357 Cb 1.17 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 30.86 3hbb h HIS 357 CO 0.50 0.54 0.00 -0.40 -3.07 0.00 0.00 177.93 175.50 3hbb n ASP 358 N -4.60 0.00 -4.75 3.10 5.75 -1.26 -4.80 116.55 109.99 3hbb n ASP 358 Ca 0.07 -0.60 -0.31 0.00 -0.01 0.00 0.00 54.79 53.94 3hbb n ASP 358 Cb 0.03 -0.09 0.11 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.19 2.01 -0.13 2.12 0.00 -1.08 -5.02 121.76 117.46 3hbb s ALA 359 Ca 0.36 0.21 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 3hbb s ALA 359 Cb 0.18 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3hbb s ALA 359 CO 0.34 -2.00 0.50 1.21 0.00 0.00 0.00 175.76 175.82 3hbb s ASN 360 N -3.34 6.68 -0.09 0.00 3.04 -1.26 -4.96 114.94 115.01 3hbb s ASN 360 Ca 0.62 0.81 0.13 0.00 0.04 0.00 0.00 52.86 54.46 3hbb s ASN 360 Cb -0.18 -2.30 0.19 0.00 -1.54 0.00 0.00 41.25 37.43 3hbb s ASN 360 CO 0.56 -0.04 1.09 -1.22 -3.04 0.00 0.00 177.10 174.46 3hbb n TYR 361 N 3.90 0.00 -1.70 0.43 4.01 -1.26 -5.05 117.16 117.49 3hbb n TYR 361 Ca -0.06 -0.81 -0.43 0.00 -0.16 0.00 0.00 57.90 56.44 3hbb n TYR 361 Cb 0.51 -0.12 -0.03 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 -1.11 3.89 -2.26 7.72 8.00 -1.26 -2.17 116.55 129.37 3hbb n ASP 362 Ca 0.11 1.03 -0.18 0.00 0.71 0.00 0.00 54.79 56.46 3hbb n ASP 362 Cb 0.52 -1.54 0.01 0.00 -0.02 0.00 0.00 41.12 40.09 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 4.01 -0.36 3.22 0.44 0.00 -1.26 -5.01 105.19 106.22 3hbb n GLY 363 Ca 0.17 -0.08 -0.29 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 -5.13 2.03 0.91 1.61 -0.21 -0.92 -5.04 119.66 112.91 3hbb s GLN 364 Ca 0.10 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.70 3hbb s GLN 364 Cb -0.04 -1.82 0.00 0.00 1.00 0.00 0.00 33.01 32.15 3hbb s GLN 364 CO 0.12 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.08 3hbb n GLY 365 N 2.85 -1.87 3.77 3.09 0.00 -1.26 -4.39 105.19 107.38 3hbb n GLY 365 Ca -0.17 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.49 5.10 -1.05 1.61 1.01 -0.39 -4.68 120.40 121.52 3hbb s VAL 366 Ca 0.00 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 3hbb s VAL 366 Cb 0.00 -3.78 0.23 0.00 0.00 0.00 0.00 36.38 32.84 3hbb s VAL 366 CO 0.00 0.43 1.09 -0.62 0.00 0.00 0.00 175.10 176.00 3hbb s ASP 367 N -0.08 7.10 0.12 3.32 -1.08 -1.23 -0.75 116.67 124.07 3hbb s ASP 367 Ca 0.25 -3.16 -0.18 0.00 -0.52 0.00 0.00 52.55 48.94 3hbb s ASP 367 Cb -0.16 -2.26 -0.04 0.00 -1.46 0.00 0.00 42.92 39.01 3hbb s ASP 367 CO 0.12 -0.49 1.69 1.56 0.52 0.00 0.00 175.17 178.56 3hbb h GLN 368 N 7.17 0.46 0.05 4.34 4.20 -1.40 -2.04 115.11 127.89 3hbb h GLN 368 Ca 0.19 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.85 3hbb h GLN 368 Cb 0.92 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 3hbb h GLN 368 CO 1.00 0.44 -0.26 0.82 -0.67 0.00 0.00 178.83 180.16 3hbb h ILE 369 N 0.37 0.41 -0.40 2.54 5.03 -1.89 -0.67 117.51 122.90 3hbb h ILE 369 Ca 0.11 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.91 3hbb h ILE 369 Cb 0.13 0.41 -0.06 0.00 -3.03 0.00 0.00 36.82 34.28 3hbb h ILE 369 CO -0.01 0.00 0.07 0.50 -0.68 0.00 0.00 178.15 178.02 3hbb h LYS 370 N -0.43 0.19 -0.31 2.37 3.64 -1.85 -0.58 116.57 119.59 3hbb h LYS 370 Ca 0.05 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3hbb h LYS 370 Cb 0.49 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 3hbb h LYS 370 CO -0.20 0.12 -0.13 0.00 -2.27 0.00 0.00 179.45 176.98 3hbb h ALA 371 N 1.31 0.13 -0.36 5.00 0.00 -1.08 -0.28 119.26 123.99 3hbb h ALA 371 Ca 0.19 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3hbb h ALA 371 Cb 0.24 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hbb h ALA 371 CO -0.26 -0.51 0.20 0.82 0.00 0.00 0.00 179.25 179.49 3hbb h ILE 372 N -0.07 1.02 -0.94 0.00 2.04 -0.65 0.29 117.51 119.19 3hbb h ILE 372 Ca 0.16 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3hbb h ILE 372 Cb 0.31 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3hbb h ILE 372 CO -0.36 0.08 0.59 0.58 0.00 0.00 0.00 178.15 179.03 3hbb h VAL 373 N 0.41 1.01 -0.31 1.67 2.07 -0.55 -0.25 116.25 120.30 3hbb h VAL 373 Ca 0.14 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 3hbb h VAL 373 Cb 0.02 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 3hbb h VAL 373 CO -0.08 0.19 -0.43 -0.33 0.02 0.00 0.00 177.57 176.94 3hbb h GLU 374 N 1.03 0.79 -0.36 1.57 4.39 -0.54 -2.95 114.58 118.52 3hbb h GLU 374 Ca 0.43 -0.43 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3hbb h GLU 374 Cb 0.28 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3hbb h GLU 374 CO -0.21 1.07 -0.23 1.15 -1.16 0.00 0.00 179.01 179.63 3hbb h THR 375 N 0.64 1.29 -0.84 1.13 2.02 -0.26 -2.91 112.91 113.98 3hbb h THR 375 Ca 0.04 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.82 3hbb h THR 375 Cb 1.00 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 3hbb h THR 375 CO 0.10 0.45 0.39 -0.07 0.37 0.00 0.00 175.52 176.76 3hbb h LEU 376 N 0.58 1.11 -1.36 2.58 3.38 -1.10 0.37 115.31 120.86 3hbb h LEU 376 Ca 0.07 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3hbb h LEU 376 Cb 0.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3hbb h LEU 376 CO 0.06 0.94 -0.31 0.11 0.09 0.00 0.00 178.44 179.33 3hbb h LYS 377 N 1.20 0.00 0.00 1.13 1.57 -1.46 -3.35 116.57 115.65 3hbb h LYS 377 Ca 0.29 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 3hbb h LYS 377 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3hbb h LYS 377 CO -0.03 0.31 -1.49 0.25 -0.57 0.00 0.00 179.45 177.92 3hbb n THR 378 N -3.96 0.96 -3.92 -0.16 -2.24 -0.96 -4.91 114.28 99.10 3hbb n THR 378 Ca -0.02 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 3hbb n THR 378 Cb 0.38 -1.78 -0.13 0.00 -2.10 0.00 0.00 70.33 66.69 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 -6.24 4.41 0.22 3.42 2.47 0.13 -4.96 114.94 114.39 3hbb s ASN 379 Ca -0.19 -3.26 0.23 0.00 0.42 0.00 0.00 52.86 50.06 3hbb s ASN 379 Cb 0.06 -1.60 0.93 0.00 -1.45 0.00 0.00 41.25 39.19 3hbb s ASN 379 CO 0.25 -0.19 1.70 -2.65 -3.72 0.00 0.00 177.10 172.50 3hbb n PRO 380 N 2.77 0.18 0.00 0.43 -0.02 -1.25 -2.56 135.00 134.55 3hbb n PRO 380 Ca 0.10 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 3hbb n PRO 380 Cb 0.33 -1.82 0.65 0.00 -0.02 0.00 0.00 33.50 32.64 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 -2.15 0.58 -4.73 2.55 8.00 -1.26 -4.13 116.55 115.42 3hbb n ASP 381 Ca 0.03 -0.82 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 3hbb n ASP 381 Cb 0.25 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3hbb n ASP 381 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hbb s ASP 382 N -2.31 6.54 0.00 -2.24 2.15 -1.06 -4.93 116.67 114.83 3hbb s ASP 382 Ca 0.34 2.70 0.23 0.00 0.43 0.00 0.00 52.55 56.24 3hbb s ASP 382 Cb 0.20 -2.60 0.52 0.00 -0.30 0.00 0.00 42.92 40.74 3hbb s ASP 382 CO 0.43 -0.83 1.45 0.54 -0.17 0.00 0.00 175.17 176.59 3hbb n ARG 383 N 3.44 2.21 -0.33 4.34 1.74 -1.26 -4.10 116.66 122.71 3hbb n ARG 383 Ca 0.12 -1.81 0.10 0.00 -0.77 0.00 0.00 57.85 55.49 3hbb n ARG 383 Cb 0.38 -1.47 0.28 0.00 -1.02 0.00 0.00 32.46 30.64 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 1.05 2.79 -2.24 5.56 3.00 -1.26 -4.87 116.66 120.70 3hbb n ARG 384 Ca 0.18 -2.53 -0.42 0.00 -0.01 0.00 0.00 57.85 55.07 3hbb n ARG 384 Cb 0.51 -1.51 -0.00 0.00 0.00 0.00 0.00 32.46 31.46 3hbb n ARG 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3hbb n MET 385 N 1.36 2.98 -3.77 5.56 2.81 -1.26 -4.89 117.12 119.92 3hbb n MET 385 Ca 0.21 -2.98 -0.13 0.00 -1.81 0.00 0.00 57.70 52.99 3hbb n MET 385 Cb 0.58 -3.42 -0.10 0.00 -0.71 0.00 0.00 33.22 29.57 3hbb n MET 385 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 3hbb s LEU 386 N 3.72 0.83 0.36 4.03 0.05 -1.26 -1.06 118.68 125.35 3hbb s LEU 386 Ca 0.52 0.40 0.08 0.00 0.05 0.00 0.00 54.13 55.18 3hbb s LEU 386 Cb 0.07 1.16 -0.05 0.00 -2.05 0.00 0.00 46.19 45.32 3hbb s LEU 386 CO 0.02 -0.25 0.11 0.72 -0.55 0.00 0.00 176.35 176.40 3hbb s PHE 387 N -0.47 2.62 0.01 3.48 -0.71 -0.67 -5.00 117.98 117.24 3hbb s PHE 387 Ca -0.06 -0.47 -0.18 0.00 -1.04 0.00 0.00 56.93 55.18 3hbb s PHE 387 Cb -0.04 -1.68 0.03 0.00 -1.21 0.00 0.00 43.02 40.13 3hbb s PHE 387 CO 0.02 0.34 0.40 -0.08 -1.34 0.00 0.00 175.22 174.56 3hbb s THR 388 N -2.51 0.05 -0.58 -4.49 -1.32 -1.26 -1.90 115.64 103.63 3hbb s THR 388 Ca 0.38 -0.43 0.10 0.00 -1.21 0.00 0.00 61.69 60.53 3hbb s THR 388 Cb 0.00 -0.83 -0.09 0.00 -1.51 0.00 0.00 72.50 70.08 3hbb s THR 388 CO 0.21 -0.23 0.48 0.00 -2.21 0.00 0.00 174.62 172.87 3hbb n ALA 389 N 0.86 3.26 -2.27 11.08 0.00 0.53 -4.46 120.51 129.51 3hbb n ALA 389 Ca -0.20 -0.32 -0.33 0.00 0.00 0.00 0.00 53.44 52.59 3hbb n ALA 389 Cb 0.58 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.87 2.12 -0.53 0.00 -0.11 -1.23 -4.84 118.94 112.48 3hbb s TRP 390 Ca 0.05 -0.02 -0.00 0.00 1.22 0.00 0.00 56.10 57.35 3hbb s TRP 390 Cb 0.08 -4.32 0.14 0.00 -1.50 0.00 0.00 33.47 27.87 3hbb s TRP 390 CO 0.40 -1.80 0.31 1.21 -4.62 0.00 0.00 176.95 172.44 3hbb s ASN 391 N 6.66 4.96 0.35 5.86 3.84 -1.26 -4.99 114.94 130.37 3hbb s ASN 391 Ca 0.60 -2.67 0.16 0.00 0.21 0.00 0.00 52.86 51.16 3hbb s ASN 391 Cb -0.04 -1.77 1.17 0.00 -0.55 0.00 0.00 41.25 40.07 3hbb s ASN 391 CO -0.04 -0.37 1.59 -0.65 -2.79 0.00 0.00 177.10 174.84 3hbb h PRO 392 N 7.15 0.04 -0.36 0.43 0.11 -2.00 0.18 132.00 137.55 3hbb h PRO 392 Ca -0.06 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3hbb h PRO 392 Cb 0.96 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3hbb h PRO 392 CO 0.69 0.03 0.02 0.77 -0.21 0.00 0.00 178.00 179.29 3hbb h SER 393 N 0.04 0.60 1.02 -2.05 0.02 -2.01 -3.08 113.55 108.08 3hbb h SER 393 Ca 0.77 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 61.33 3hbb h SER 393 Cb 1.94 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 3hbb h SER 393 CO -0.79 0.74 -0.47 0.00 -1.14 0.00 0.00 176.83 175.18 3hbb h ALA 394 N 0.88 0.86 -0.75 3.77 0.00 -1.16 -3.39 119.26 119.47 3hbb h ALA 394 Ca 0.10 -0.42 0.15 0.00 0.00 0.00 0.00 54.91 54.73 3hbb h ALA 394 Cb 0.42 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.00 3hbb h ALA 394 CO 0.01 0.58 -0.24 -0.07 0.00 0.00 0.00 179.25 179.54 3hbb h LEU 395 N 0.00 -0.86 -2.29 0.00 4.07 -0.92 0.16 115.31 115.47 3hbb h LEU 395 Ca -0.00 0.24 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 3hbb h LEU 395 Cb 1.10 0.52 -0.00 0.00 1.08 0.00 0.00 40.66 43.36 3hbb h LEU 395 CO 0.06 -0.27 -0.04 -0.65 -1.08 0.00 0.00 178.44 176.46 3hbb h PRO 396 N -0.03 0.00 -0.00 1.13 0.11 -1.77 -2.17 132.00 129.26 3hbb h PRO 396 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3hbb h PRO 396 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3hbb h PRO 396 CO -0.79 0.04 -0.15 0.54 -0.21 0.00 0.00 178.00 177.42 3hbb n ARG 397 N -3.36 0.66 -3.48 1.05 5.12 0.55 -4.88 116.66 112.33 3hbb n ARG 397 Ca -0.02 -0.27 -0.32 0.00 -1.93 0.00 0.00 57.85 55.31 3hbb n ARG 397 Cb 0.17 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 29.92 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 -2.52 3.78 0.40 5.56 -1.94 -0.82 -4.10 119.30 119.65 3hbb s MET 398 Ca 0.26 0.21 0.11 0.00 -1.71 0.00 0.00 55.69 54.56 3hbb s MET 398 Cb 0.20 -2.75 0.82 0.00 2.01 0.00 0.00 34.83 35.10 3hbb s MET 398 CO 0.50 0.39 1.92 0.00 -0.01 0.00 0.00 175.02 177.82 3hbb h ALA 399 N 2.83 1.53 -2.71 3.03 0.00 -1.54 -3.45 119.26 118.95 3hbb h ALA 399 Ca -0.47 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 3hbb h ALA 399 Cb 1.17 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.66 3hbb h ALA 399 CO 0.69 0.34 -0.25 -1.17 0.00 0.00 0.00 179.25 178.86 3hbb s LEU 400 N -8.67 0.57 0.51 0.00 2.96 -1.26 -5.00 118.68 107.79 3hbb s LEU 400 Ca -0.05 0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 54.27 3hbb s LEU 400 Cb 0.15 1.35 -0.07 0.00 0.50 0.00 0.00 46.19 48.12 3hbb s LEU 400 CO 0.72 -0.22 1.09 -2.84 -1.32 0.00 0.00 176.35 173.78 3hbb s PRO 401 N -0.21 3.58 0.38 0.98 0.02 -1.26 -4.92 135.00 133.57 3hbb s PRO 401 Ca -0.04 1.50 -0.27 0.00 0.02 0.00 0.00 61.00 62.22 3hbb s PRO 401 Cb -0.03 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 3hbb s PRO 401 CO 0.02 -0.64 1.26 -1.25 -0.33 0.00 0.00 177.00 176.05 3hbb s PRO 402 N -3.23 4.12 -0.08 5.54 0.04 -1.26 -4.98 135.00 135.15 3hbb s PRO 402 Ca 0.70 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.76 3hbb s PRO 402 Cb -0.21 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 3hbb s PRO 402 CO 0.24 -0.34 -0.09 0.00 0.04 0.00 0.00 177.00 176.85 3hbb s HIS 404 N -1.68 2.00 -0.45 0.00 0.00 -1.26 -1.18 115.29 112.71 3hbb s HIS 404 Ca -0.07 0.34 0.07 0.00 -3.00 0.00 0.00 55.06 52.39 3hbb s HIS 404 Cb 0.01 -4.38 -0.05 0.00 -4.00 0.00 0.00 32.58 24.16 3hbb s HIS 404 CO 0.11 -2.18 0.38 1.47 -1.00 0.00 0.00 174.74 173.52 3hbb n LEU 405 N 10.92 0.58 -3.63 5.38 -0.00 -1.02 -4.83 117.00 124.40 3hbb n LEU 405 Ca 0.11 -0.60 -0.13 0.00 -0.00 0.00 0.00 56.01 55.39 3hbb n LEU 405 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.85 3hbb n LEU 405 CO 0.71 0.13 0.41 -0.22 -0.00 0.00 0.00 177.39 178.42 3hbb s LEU 406 N -2.00 -0.77 0.01 1.47 0.20 -1.21 -0.35 118.68 116.03 3hbb s LEU 406 Ca 0.04 1.46 0.00 0.00 0.69 0.00 0.00 54.13 56.32 3hbb s LEU 406 Cb 0.05 2.46 -0.01 0.00 -0.43 0.00 0.00 46.19 48.27 3hbb s LEU 406 CO 0.25 -0.25 -0.02 0.00 -0.29 0.00 0.00 176.35 176.04 3hbb s ALA 407 N 0.53 0.10 -0.03 5.97 0.00 -0.80 -0.23 121.76 127.30 3hbb s ALA 407 Ca -0.01 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.81 3hbb s ALA 407 Cb -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3hbb s ALA 407 CO -0.01 -0.03 -0.20 -1.14 0.00 0.00 0.00 175.76 174.38 3hbb s GLN 408 N -0.42 1.82 0.23 0.00 0.74 0.77 -1.68 119.66 121.13 3hbb s GLN 408 Ca -0.04 -0.73 0.06 0.00 0.05 0.00 0.00 55.36 54.70 3hbb s GLN 408 Cb -0.03 -1.67 -0.03 0.00 1.10 0.00 0.00 33.01 32.37 3hbb s GLN 408 CO -0.00 0.38 0.26 -0.06 -0.55 0.00 0.00 175.29 175.32 3hbb s PHE 409 N -0.30 3.27 -0.14 1.67 0.08 -0.22 -0.34 117.98 122.00 3hbb s PHE 409 Ca 0.03 -0.05 -0.14 0.00 0.12 0.00 0.00 56.93 56.89 3hbb s PHE 409 Cb -0.10 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3hbb s PHE 409 CO 0.01 0.49 0.39 -0.47 -0.10 0.00 0.00 175.22 175.53 3hbb s TYR 410 N -2.02 -0.42 -0.08 0.36 6.14 -0.14 -4.75 117.35 116.44 3hbb s TYR 410 Ca 0.33 1.02 0.05 0.00 0.64 0.00 0.00 57.07 59.11 3hbb s TYR 410 Cb -0.09 0.15 -0.01 0.00 0.42 0.00 0.00 41.96 42.43 3hbb s TYR 410 CO 0.27 -0.21 -0.24 0.08 0.64 0.00 0.00 175.55 176.08 3hbb s VAL 411 N 0.15 2.04 -0.16 3.14 1.01 -1.26 -0.38 120.40 124.94 3hbb s VAL 411 Ca -0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 3hbb s VAL 411 Cb -0.03 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.66 3hbb s VAL 411 CO 0.01 0.56 0.39 -0.94 0.00 0.00 0.00 175.10 175.12 3hbb s SER 412 N 0.10 -0.46 -1.52 3.32 1.04 -0.45 -4.90 113.70 110.82 3hbb s SER 412 Ca -0.11 0.83 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 3hbb s SER 412 Cb -0.16 0.75 0.08 0.00 0.10 0.00 0.00 66.02 66.79 3hbb s SER 412 CO 0.06 -0.18 0.81 0.59 0.98 0.00 0.00 173.24 175.50 3hbb n ASN 413 N 3.87 -3.20 -0.87 7.02 3.02 -1.26 -0.71 115.26 123.13 3hbb n ASN 413 Ca -0.21 -0.88 -0.11 0.00 -0.03 0.00 0.00 54.58 53.35 3hbb n ASN 413 Cb 0.56 -3.50 -0.05 0.00 -0.61 0.00 0.00 39.78 36.18 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 -1.65 1.20 3.48 7.41 0.00 -1.26 -5.00 105.19 109.37 3hbb n GLY 414 Ca -0.05 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.82 2.97 -0.42 1.61 2.02 0.11 -1.75 118.70 120.41 3hbb s GLU 415 Ca 0.00 -0.63 -0.18 0.00 0.02 0.00 0.00 54.97 54.19 3hbb s GLU 415 Cb 0.00 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.67 3hbb s GLU 415 CO 0.00 0.47 0.47 -1.17 0.02 0.00 0.00 175.26 175.05 3hbb s LEU 416 N -0.32 4.76 0.25 1.80 2.96 0.86 -1.34 118.68 127.65 3hbb s LEU 416 Ca 0.04 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3hbb s LEU 416 Cb -0.13 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 3hbb s LEU 416 CO 0.02 -0.59 0.45 -0.44 -1.32 0.00 0.00 176.35 174.48 3hbb s SER 417 N 1.83 6.38 -0.10 3.68 0.01 0.49 -0.61 113.70 125.38 3hbb s SER 417 Ca 0.14 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 3hbb s SER 417 Cb -0.17 -2.04 0.05 0.00 0.21 0.00 0.00 66.02 64.07 3hbb s SER 417 CO 0.14 -0.12 0.22 0.00 0.41 0.00 0.00 173.24 173.89 3hbb s MET 419 N 1.40 3.74 -0.15 0.00 -2.45 0.54 -0.69 119.30 121.70 3hbb s MET 419 Ca -0.08 -0.40 -0.04 0.00 -1.25 0.00 0.00 55.69 53.92 3hbb s MET 419 Cb -0.11 -3.06 -0.03 0.00 1.25 0.00 0.00 34.83 32.88 3hbb s MET 419 CO -0.08 0.34 -0.02 -1.17 1.05 0.00 0.00 175.02 175.14 3hbb s LEU 420 N 0.16 3.38 -0.27 4.11 2.96 -0.02 -0.17 118.68 128.83 3hbb s LEU 420 Ca 0.02 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 3hbb s LEU 420 Cb -0.13 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3hbb s LEU 420 CO 0.01 0.21 0.10 -0.47 -1.32 0.00 0.00 176.35 174.89 3hbb s TYR 421 N 0.14 3.13 -0.16 5.38 6.14 0.68 -0.51 117.35 132.14 3hbb s TYR 421 Ca 0.00 -0.45 -0.01 0.00 0.64 0.00 0.00 57.07 57.25 3hbb s TYR 421 Cb -0.13 -2.28 -0.01 0.00 0.42 0.00 0.00 41.96 39.96 3hbb s TYR 421 CO 0.02 -0.38 -0.12 -1.14 0.64 0.00 0.00 175.55 174.57 3hbb s GLN 422 N 1.62 3.30 0.06 4.97 0.74 -0.38 -2.44 119.66 127.54 3hbb s GLN 422 Ca 0.06 -0.70 -0.15 0.00 0.05 0.00 0.00 55.36 54.62 3hbb s GLN 422 Cb -0.16 -2.72 -0.24 0.00 1.10 0.00 0.00 33.01 30.99 3hbb s GLN 422 CO 0.05 0.02 1.17 0.07 -0.55 0.00 0.00 175.29 176.05 3hbb h ARG 423 N 7.34 0.67 -3.99 1.67 0.11 -1.44 -0.46 114.38 118.27 3hbb h ARG 423 Ca -0.33 -0.73 -0.45 0.00 0.10 0.00 0.00 59.98 58.57 3hbb h ARG 423 Cb 1.19 0.21 -0.36 0.00 1.11 0.00 0.00 29.97 32.12 3hbb h ARG 423 CO 0.58 1.31 -0.78 0.45 0.10 0.00 0.00 179.97 181.63 3hbb s SER 424 N -7.24 1.49 -0.23 0.08 0.15 -1.26 -0.59 113.70 106.11 3hbb s SER 424 Ca -0.10 -0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.37 3hbb s SER 424 Cb 0.06 -0.55 0.07 0.00 -1.71 0.00 0.00 66.02 63.89 3hbb s SER 424 CO 0.91 -0.11 0.03 0.00 1.20 0.00 0.00 173.24 175.27 3hbb s ASP 426 N 1.71 6.15 0.53 0.00 2.15 -1.26 -1.67 116.67 124.28 3hbb s ASP 426 Ca 0.00 0.24 0.21 0.00 0.43 0.00 0.00 52.55 53.43 3hbb s ASP 426 Cb -0.17 -2.55 1.38 0.00 -0.30 0.00 0.00 42.92 41.28 3hbb s ASP 426 CO -0.11 -1.70 2.11 0.24 -0.17 0.00 0.00 175.17 175.53 3hbb h MET 427 N 10.94 0.00 0.38 4.34 2.86 -1.64 0.45 114.93 132.26 3hbb h MET 427 Ca -0.27 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 3hbb h MET 427 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3hbb h MET 427 CO 1.18 0.00 -0.18 0.78 1.06 0.00 0.00 176.91 179.75 3hbb h GLY 428 N 0.00 -0.54 0.00 8.32 0.00 -1.90 -3.41 103.07 105.54 3hbb h GLY 428 Ca 0.08 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3hbb h GLY 428 CO -0.00 -0.19 -0.90 1.04 0.00 0.00 0.00 176.54 176.48 3hbb n LEU 429 N -5.20 1.03 0.46 3.11 4.77 -1.14 -4.79 117.00 115.23 3hbb n LEU 429 Ca -0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 3hbb n LEU 429 Cb 0.28 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 3hbb n LEU 429 CO 0.31 0.14 0.53 1.23 -1.33 0.00 0.00 177.39 178.28 3hbb h GLY 430 N 0.00 -1.36 0.09 -0.72 0.00 -1.62 -2.93 103.07 96.53 3hbb h GLY 430 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 47.33 47.93 3hbb h GLY 430 CO 0.00 -0.47 -0.29 -2.08 0.00 0.00 0.00 176.54 173.70 3hbb h VAL 431 N -1.24 0.31 -0.96 4.60 2.07 -1.19 0.24 116.25 120.09 3hbb h VAL 431 Ca -0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3hbb h VAL 431 Cb 0.98 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3hbb h VAL 431 CO 0.14 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.68 3hbb h PRO 432 N -0.31 1.29 0.02 1.57 0.11 -1.79 -0.36 132.00 132.53 3hbb h PRO 432 Ca 0.13 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 3hbb h PRO 432 Cb 0.51 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3hbb h PRO 432 CO -0.40 0.88 -0.01 0.35 -0.21 0.00 0.00 178.00 178.61 3hbb h PHE 433 N 1.31 -0.03 0.00 0.65 3.04 -1.08 -2.82 116.94 118.01 3hbb h PHE 433 Ca 0.35 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.24 3hbb h PHE 433 Cb -0.09 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 3hbb h PHE 433 CO 0.00 0.03 -0.28 -0.91 -2.02 0.00 0.00 178.31 175.13 3hbb h ASN 434 N -0.08 0.00 0.11 0.41 2.35 -0.33 -0.59 115.58 117.44 3hbb h ASN 434 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3hbb h ASN 434 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3hbb h ASN 434 CO 0.01 0.28 -0.05 0.40 -1.65 0.00 0.00 177.43 176.42 3hbb h ILE 435 N 0.00 0.96 -0.60 2.81 2.04 -0.93 -1.69 117.51 120.11 3hbb h ILE 435 Ca -0.00 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3hbb h ILE 435 Cb 0.61 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3hbb h ILE 435 CO 0.04 0.06 0.24 0.00 0.00 0.00 0.00 178.15 178.49 3hbb h ALA 436 N 0.62 0.78 -0.21 1.87 0.00 -1.25 -1.89 119.26 119.18 3hbb h ALA 436 Ca -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hbb h ALA 436 Cb 0.21 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3hbb h ALA 436 CO 0.02 0.39 -0.12 0.77 0.00 0.00 0.00 179.25 180.32 3hbb h SER 437 N 0.83 -0.40 1.59 0.00 0.02 -0.96 -0.82 113.55 113.81 3hbb h SER 437 Ca 0.20 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3hbb h SER 437 Cb 0.20 0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3hbb h SER 437 CO -0.02 -0.16 -0.15 1.88 -1.14 0.00 0.00 176.83 177.25 3hbb h TYR 438 N -0.11 0.00 0.19 3.45 -1.99 -1.25 -1.87 116.97 115.39 3hbb h TYR 438 Ca 0.12 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 3hbb h TYR 438 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3hbb h TYR 438 CO -0.28 0.15 -0.09 0.00 -0.00 0.00 0.00 178.16 177.94 3hbb h ALA 439 N 1.85 -0.25 -0.43 3.88 0.00 -0.79 -1.52 119.26 122.00 3hbb h ALA 439 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hbb h ALA 439 Cb 0.99 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3hbb h ALA 439 CO 0.02 -0.64 0.27 1.25 0.00 0.00 0.00 179.25 180.15 3hbb h LEU 440 N -0.25 0.45 -0.05 0.00 6.46 -0.92 -0.87 115.31 120.13 3hbb h LEU 440 Ca -0.03 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 3hbb h LEU 440 Cb 0.19 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 3hbb h LEU 440 CO 0.04 0.33 -0.14 0.25 -0.62 0.00 0.00 178.44 178.30 3hbb h LEU 441 N 0.55 -0.42 -1.01 2.25 5.85 -1.30 0.79 115.31 122.02 3hbb h LEU 441 Ca 0.16 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3hbb h LEU 441 Cb -0.03 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3hbb h LEU 441 CO -0.05 -0.19 0.50 0.74 -0.34 0.00 0.00 178.44 179.09 3hbb h THR 442 N -0.21 1.24 0.47 1.05 2.02 -0.98 0.19 112.91 116.69 3hbb h THR 442 Ca 0.06 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3hbb h THR 442 Cb 0.30 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3hbb h THR 442 CO -0.17 0.27 -0.23 0.40 0.37 0.00 0.00 175.52 176.16 3hbb h ILE 443 N 1.20 0.54 -0.22 3.11 2.04 -0.75 -0.36 117.51 123.07 3hbb h ILE 443 Ca 0.31 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.18 3hbb h ILE 443 Cb -0.01 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3hbb h ILE 443 CO -0.05 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.13 3hbb h LEU 444 N -0.63 0.15 -1.03 1.44 3.38 -0.37 -0.91 115.31 117.34 3hbb h LEU 444 Ca -0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hbb h LEU 444 Cb 0.48 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hbb h LEU 444 CO 0.11 0.12 0.29 0.40 0.09 0.00 0.00 178.44 179.45 3hbb h ILE 445 N 0.22 1.23 -0.80 1.22 1.08 -0.63 -0.51 117.51 119.31 3hbb h ILE 445 Ca 0.09 -0.68 -0.00 0.00 -0.39 0.00 0.00 64.86 63.87 3hbb h ILE 445 Cb 0.03 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 3hbb h ILE 445 CO -0.07 0.28 0.48 0.00 -0.69 0.00 0.00 178.15 178.16 3hbb h ALA 446 N 1.35 1.02 -0.73 1.87 0.00 -0.69 -2.29 119.26 119.79 3hbb h ALA 446 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hbb h ALA 446 Cb 0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hbb h ALA 446 CO -0.02 0.49 0.35 0.87 0.00 0.00 0.00 179.25 180.93 3hbb h LYS 447 N 1.10 1.04 0.00 0.00 1.57 -0.21 -0.35 116.57 119.73 3hbb h LYS 447 Ca 0.29 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3hbb h LYS 447 Cb -0.04 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.08 3hbb h LYS 447 CO -0.05 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.63 3hbb h ALA 448 N 1.34 1.00 -0.03 3.86 0.00 -0.62 -3.21 119.26 121.61 3hbb h ALA 448 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hbb h ALA 448 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hbb h ALA 448 CO -0.03 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.47 3hbb n THR 449 N -2.66 0.25 -3.05 0.00 -2.24 -0.91 -4.39 114.28 101.28 3hbb n THR 449 Ca 0.02 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 3hbb n THR 449 Cb 0.33 0.92 0.07 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.06 -0.14 3.36 3.38 0.00 -0.82 -4.69 105.19 106.33 3hbb n GLY 450 Ca 0.02 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.18 2.26 0.11 0.99 1.43 -0.20 -5.05 118.68 113.03 3hbb s LEU 451 Ca 0.02 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.86 3hbb s LEU 451 Cb -0.01 -0.35 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 3hbb s LEU 451 CO 0.53 -0.48 0.34 -0.13 0.23 0.00 0.00 176.35 176.84 3hbb s ARG 452 N -3.83 3.59 0.44 1.70 0.52 -0.72 -4.25 118.95 116.40 3hbb s ARG 452 Ca 0.29 -0.13 -0.25 0.00 -0.52 0.00 0.00 55.73 55.12 3hbb s ARG 452 Cb 0.05 -2.91 -0.08 0.00 0.52 0.00 0.00 34.95 32.53 3hbb s ARG 452 CO 0.10 0.51 1.41 -2.14 0.02 0.00 0.00 175.30 175.19 3hbb s PRO 453 N -2.50 3.74 0.00 3.54 0.02 -1.26 -0.10 135.00 138.44 3hbb s PRO 453 Ca 0.38 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3hbb s PRO 453 Cb -0.12 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3hbb s PRO 453 CO 0.24 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3hbb n GLY 454 N 0.59 1.00 3.33 0.52 0.00 0.21 -4.06 105.19 106.79 3hbb n GLY 454 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 1.38 1.26 -0.21 1.61 2.02 -1.25 0.69 118.70 124.19 3hbb s GLU 455 Ca 0.00 -1.29 -0.06 0.00 0.02 0.00 0.00 54.97 53.65 3hbb s GLU 455 Cb 0.00 -1.54 -0.03 0.00 0.10 0.00 0.00 34.13 32.66 3hbb s GLU 455 CO 0.00 0.35 0.02 -1.17 0.02 0.00 0.00 175.26 174.48 3hbb s LEU 456 N -2.16 3.31 -0.21 1.80 0.20 0.62 -0.96 118.68 121.27 3hbb s LEU 456 Ca 0.11 -0.20 -0.06 0.00 0.69 0.00 0.00 54.13 54.67 3hbb s LEU 456 Cb -0.09 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.79 3hbb s LEU 456 CO 0.06 0.04 0.04 -0.69 -0.29 0.00 0.00 176.35 175.51 3hbb s VAL 457 N 1.14 4.31 -0.24 1.68 1.01 0.14 -0.63 120.40 127.80 3hbb s VAL 457 Ca 0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3hbb s VAL 457 Cb -0.14 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3hbb s VAL 457 CO 0.02 0.40 0.15 -2.28 0.00 0.00 0.00 175.10 173.39 3hbb s HIS 458 N 1.07 3.28 -0.15 5.22 2.46 0.12 -0.84 115.29 126.46 3hbb s HIS 458 Ca 0.03 0.15 -0.02 0.00 0.47 0.00 0.00 55.06 55.69 3hbb s HIS 458 Cb -0.14 -2.27 -0.02 0.00 -0.13 0.00 0.00 32.58 30.01 3hbb s HIS 458 CO 0.03 0.01 -0.07 0.99 -2.47 0.00 0.00 174.74 173.22 3hbb s THR 459 N 1.15 3.57 -0.06 0.89 2.01 0.33 -0.53 115.64 123.01 3hbb s THR 459 Ca 0.07 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.62 3hbb s THR 459 Cb -0.14 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 3hbb s THR 459 CO 0.05 0.50 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.61 3hbb s LEU 460 N 0.38 2.91 0.00 4.42 1.02 0.04 -1.25 118.68 126.21 3hbb s LEU 460 Ca -0.06 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 53.96 3hbb s LEU 460 Cb -0.15 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.45 3hbb s LEU 460 CO 0.04 0.35 0.00 0.61 0.02 0.00 0.00 176.35 177.37 3hbb n GLY 461 N 2.26 0.82 3.55 -3.19 0.00 -0.18 -2.02 105.19 106.43 3hbb n GLY 461 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 6.21 -0.19 1.61 -1.08 0.25 -0.85 116.67 121.62 3hbb s ASP 462 Ca 0.00 -0.77 -0.19 0.00 -0.52 0.00 0.00 52.55 51.07 3hbb s ASP 462 Cb 0.00 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 3hbb s ASP 462 CO 0.00 -1.77 0.53 0.00 0.52 0.00 0.00 175.17 174.45 3hbb s ALA 463 N 5.73 3.53 0.05 3.66 0.00 0.23 -1.70 121.76 133.26 3hbb s ALA 463 Ca 0.41 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.02 3hbb s ALA 463 Cb -0.05 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 3hbb s ALA 463 CO 0.06 -0.41 -0.06 -3.38 0.00 0.00 0.00 175.76 171.98 3hbb s HIS 464 N 1.56 0.57 -0.02 0.00 -3.43 -0.67 -0.33 115.29 112.97 3hbb s HIS 464 Ca 0.25 -0.66 0.08 0.00 -0.80 0.00 0.00 55.06 53.92 3hbb s HIS 464 Cb -0.15 -0.36 -0.02 0.00 -1.43 0.00 0.00 32.58 30.62 3hbb s HIS 464 CO 0.10 -0.17 -0.25 0.08 -2.00 0.00 0.00 174.74 172.50 3hbb s VAL 465 N -2.15 2.15 0.12 -5.38 1.01 0.20 -1.42 120.40 114.93 3hbb s VAL 465 Ca -0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 3hbb s VAL 465 Cb -0.05 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 3hbb s VAL 465 CO -0.02 0.58 1.09 -0.31 0.00 0.00 0.00 175.10 176.43 3hbb s TYR 466 N -0.62 3.60 0.26 5.22 2.02 -1.26 -0.11 117.35 126.46 3hbb s TYR 466 Ca 0.10 1.58 -0.04 0.00 -0.37 0.00 0.00 57.07 58.34 3hbb s TYR 466 Cb -0.10 -3.25 0.52 0.00 -0.40 0.00 0.00 41.96 38.72 3hbb s TYR 466 CO -0.01 -0.55 1.64 0.77 -1.57 0.00 0.00 175.55 175.84 3hbb h SER 467 N 5.70 -0.21 1.11 2.29 0.02 -1.85 0.14 113.55 120.76 3hbb h SER 467 Ca -0.43 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3hbb h SER 467 Cb 1.21 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 3hbb h SER 467 CO 0.74 -0.16 -0.25 -0.55 -1.14 0.00 0.00 176.83 175.48 3hbb h ASN 468 N 0.15 0.00 0.61 3.07 -1.07 -1.92 -2.78 115.58 113.63 3hbb h ASN 468 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.82 3hbb h ASN 468 Cb 0.83 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 3hbb h ASN 468 CO -0.64 0.25 0.00 1.41 0.07 0.00 0.00 177.43 178.52 3hbb n HIS 469 N -3.33 0.00 -0.05 4.14 8.25 0.47 -3.85 115.22 120.85 3hbb n HIS 469 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 3hbb n HIS 469 Cb 0.49 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 0.00 0.86 0.01 1.59 2.07 -1.28 0.32 116.25 119.81 3hbb h VAL 470 Ca 0.00 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3hbb h VAL 470 Cb 0.30 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3hbb h VAL 470 CO 0.00 0.01 -0.13 -0.08 0.02 0.00 0.00 177.57 177.40 3hbb h GLU 471 N 0.08 -0.21 -0.41 1.57 4.81 -1.81 -0.67 114.58 117.94 3hbb h GLU 471 Ca 0.10 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3hbb h GLU 471 Cb 0.12 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3hbb h GLU 471 CO -0.17 -0.14 0.19 -1.35 -0.73 0.00 0.00 179.01 176.81 3hbb h PRO 472 N -0.22 0.37 -0.82 0.92 0.11 -1.75 -3.08 132.00 127.54 3hbb h PRO 472 Ca 0.04 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.17 3hbb h PRO 472 Cb 0.27 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.25 3hbb h PRO 472 CO -0.12 0.25 0.54 0.00 -0.21 0.00 0.00 178.00 178.46 3hbb h ASN 474 N 1.01 0.33 -0.21 0.00 4.21 -1.04 -0.02 115.58 119.86 3hbb h ASN 474 Ca 0.33 -0.04 -0.16 0.00 1.21 0.00 0.00 56.30 57.64 3hbb h ASN 474 Cb 0.05 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 3hbb h ASN 474 CO -0.10 0.36 -0.50 -0.08 -1.29 0.00 0.00 177.43 175.82 3hbb h GLU 475 N 0.36 0.71 -0.18 0.81 4.57 -1.36 -3.16 114.58 116.33 3hbb h GLU 475 Ca 0.09 -0.48 -0.08 0.00 -1.18 0.00 0.00 59.36 57.70 3hbb h GLU 475 Cb 0.18 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3hbb h GLU 475 CO -0.00 1.11 -0.24 0.37 -1.18 0.00 0.00 179.01 179.07 3hbb h GLN 476 N 0.42 0.32 -0.18 1.92 4.15 -1.10 -2.74 115.11 117.91 3hbb h GLN 476 Ca -0.00 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.36 3hbb h GLN 476 Cb 1.12 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3hbb h GLN 476 CO 0.11 0.55 0.15 -0.07 -1.93 0.00 0.00 178.83 177.63 3hbb h LEU 477 N 0.29 0.00 -0.30 -2.39 3.38 -0.97 -0.77 115.31 114.56 3hbb h LEU 477 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hbb h LEU 477 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hbb h LEU 477 CO 0.04 0.00 -0.01 0.29 0.09 0.00 0.00 178.44 178.85 3hbb n LYS 478 N -4.21 1.17 -3.20 1.13 4.76 -1.03 -4.83 118.16 111.94 3hbb n LYS 478 Ca 0.01 -0.30 -0.39 0.00 -2.87 0.00 0.00 58.31 54.77 3hbb n LYS 478 Cb 0.28 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.92 3hbb n LYS 478 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3hbb s ARG 479 N -2.04 4.31 -0.25 1.97 0.52 -0.30 -5.05 118.95 118.12 3hbb s ARG 479 Ca 0.44 0.77 -0.27 0.00 -0.52 0.00 0.00 55.73 56.15 3hbb s ARG 479 Cb 0.22 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.37 3hbb s ARG 479 CO 0.37 0.44 0.93 0.08 0.02 0.00 0.00 175.30 177.14 3hbb s VAL 480 N -0.44 4.74 0.34 3.52 1.01 -1.26 -5.01 120.40 123.30 3hbb s VAL 480 Ca 0.31 1.74 -0.28 0.00 0.00 0.00 0.00 61.98 63.75 3hbb s VAL 480 Cb -0.19 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 31.85 3hbb s VAL 480 CO 0.18 -0.16 1.34 -2.65 0.00 0.00 0.00 175.10 173.81 3hbb n PRO 481 N 6.22 2.24 -3.22 2.72 -0.02 -1.26 -4.94 135.00 136.75 3hbb n PRO 481 Ca 0.09 0.79 -0.18 0.00 -2.02 0.00 0.00 63.50 62.17 3hbb n PRO 481 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3hbb n PRO 481 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hbb s ARG 482 N -1.85 2.87 0.50 -0.52 0.52 -1.26 -4.23 118.95 114.98 3hbb s ARG 482 Ca 0.56 -1.22 -0.23 0.00 -0.52 0.00 0.00 55.73 54.32 3hbb s ARG 482 Cb -0.55 -2.72 -0.06 0.00 0.52 0.00 0.00 34.95 32.13 3hbb s ARG 482 CO 0.62 -0.16 1.34 0.00 0.02 0.00 0.00 175.30 177.11 3hbb s ALA 483 N -2.32 2.98 0.65 2.13 0.00 -1.26 -4.79 121.76 119.16 3hbb s ALA 483 Ca 0.51 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 3hbb s ALA 483 Cb -0.09 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 3hbb s ALA 483 CO 0.32 -1.17 1.15 -0.06 0.00 0.00 0.00 175.76 176.00 3hbb s PHE 484 N -1.31 2.45 0.09 0.00 0.08 -1.26 -4.83 117.98 113.20 3hbb s PHE 484 Ca 0.66 1.56 -0.02 0.00 0.12 0.00 0.00 56.93 59.26 3hbb s PHE 484 Cb -0.39 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 38.79 3hbb s PHE 484 CO 0.48 -1.97 0.13 -0.35 -0.10 0.00 0.00 175.22 173.41 3hbb n PRO 485 N -2.26 -0.18 -4.18 0.24 -0.04 -1.24 -4.87 135.00 122.47 3hbb n PRO 485 Ca 0.12 -0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.21 3hbb n PRO 485 Cb 0.51 -0.13 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 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 -1.27 1.19 -0.15 0.54 1.51 -0.26 -1.61 117.35 117.29 3hbb s TYR 486 Ca 0.07 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.57 3hbb s TYR 486 Cb -0.00 -0.65 -0.02 0.00 -0.11 0.00 0.00 41.96 41.18 3hbb s TYR 486 CO 0.05 0.05 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.29 3hbb s LEU 487 N -2.10 2.93 0.12 -1.29 2.96 -0.33 -0.09 118.68 120.87 3hbb s LEU 487 Ca 0.02 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3hbb s LEU 487 Cb -0.07 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3hbb s LEU 487 CO 0.02 0.15 -0.13 0.68 -1.32 0.00 0.00 176.35 175.75 3hbb s VAL 488 N 0.45 1.25 -0.25 1.68 -7.23 -0.44 -4.77 120.40 111.08 3hbb s VAL 488 Ca -0.07 -1.72 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 3hbb s VAL 488 Cb -0.15 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3hbb s VAL 488 CO 0.04 -0.46 0.06 -0.36 -0.31 0.00 0.00 175.10 174.07 3hbb s PHE 489 N -2.25 3.08 0.20 2.82 0.40 -1.26 -0.03 117.98 120.94 3hbb s PHE 489 Ca 0.09 -0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 3hbb s PHE 489 Cb -0.04 -2.23 0.25 0.00 0.51 0.00 0.00 43.02 41.51 3hbb s PHE 489 CO 0.02 -0.43 1.70 0.00 0.70 0.00 0.00 175.22 177.21 3hbb h ARG 490 N 8.22 0.20 -3.54 0.44 2.47 -0.28 -3.46 114.38 118.44 3hbb h ARG 490 Ca -0.37 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.27 3hbb h ARG 490 Cb 1.16 -0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 29.30 3hbb h ARG 490 CO 0.59 0.14 -0.19 -0.98 0.56 0.00 0.00 179.97 180.09 3hbb s ARG 491 N -6.13 0.98 0.52 0.04 1.70 -1.14 -5.07 118.95 109.85 3hbb s ARG 491 Ca -0.13 -0.79 0.07 0.00 -0.47 0.00 0.00 55.73 54.40 3hbb s ARG 491 Cb 0.17 0.42 0.05 0.00 -0.57 0.00 0.00 34.95 35.02 3hbb s ARG 491 CO 0.73 -0.36 0.71 -1.21 -1.08 0.00 0.00 175.30 174.09 3hbb s GLU 492 N -3.78 2.52 -0.01 3.89 0.41 -1.26 -4.83 118.70 115.64 3hbb s GLU 492 Ca 0.03 -1.27 -0.02 0.00 -0.41 0.00 0.00 54.97 53.30 3hbb s GLU 492 Cb 0.03 -2.64 -0.00 0.00 -1.78 0.00 0.00 34.13 29.74 3hbb s GLU 492 CO -0.11 -0.63 0.04 1.03 -0.49 0.00 0.00 175.26 175.10 3hbb s ARG 493 N -4.59 0.20 0.17 1.61 0.52 -1.26 -5.07 118.95 110.53 3hbb s ARG 493 Ca 0.58 -0.20 -0.14 0.00 -0.52 0.00 0.00 55.73 55.45 3hbb s ARG 493 Cb -0.08 0.08 0.11 0.00 0.52 0.00 0.00 34.95 35.58 3hbb s ARG 493 CO 0.37 -0.04 1.76 1.49 0.02 0.00 0.00 175.30 178.90 3hbb h GLU 494 N 5.36 0.34 -6.21 3.54 4.81 -1.96 -3.42 114.58 117.04 3hbb h GLU 494 Ca -0.28 -0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.31 3hbb h GLU 494 Cb 1.21 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.42 3hbb h GLU 494 CO 0.44 0.23 -0.60 -0.06 -0.73 0.00 0.00 179.01 178.29 3hbb s PHE 495 N -6.14 3.15 0.12 0.92 0.08 -1.26 -0.66 117.98 114.19 3hbb s PHE 495 Ca -0.13 0.04 -0.19 0.00 0.12 0.00 0.00 56.93 56.77 3hbb s PHE 495 Cb 0.13 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.95 3hbb s PHE 495 CO 0.72 0.52 1.74 1.25 -0.10 0.00 0.00 175.22 179.35 3hbb h LEU 496 N 3.11 0.32 0.00 -0.37 5.85 -1.35 -2.65 115.31 120.22 3hbb h LEU 496 Ca -0.47 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3hbb h LEU 496 Cb 1.17 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3hbb h LEU 496 CO 0.64 0.29 0.00 -0.62 -0.34 0.00 0.00 178.44 178.41 3hbb n GLU 497 N -4.86 0.08 0.00 1.25 4.71 -1.26 -2.46 120.64 118.09 3hbb n GLU 497 Ca -0.02 0.26 0.12 0.00 -0.01 0.00 0.00 57.16 57.51 3hbb n GLU 497 Cb 0.06 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.26 3hbb n GLU 497 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hbb n ASP 498 N -1.37 0.76 -4.72 1.62 8.00 -1.00 -4.94 116.55 114.90 3hbb n ASP 498 Ca 0.03 -0.56 -0.42 0.00 0.71 0.00 0.00 54.79 54.55 3hbb n ASP 498 Cb 0.08 0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.80 3.18 0.27 1.24 1.51 -1.03 -5.01 117.35 114.71 3hbb s TYR 499 Ca 0.16 0.91 0.09 0.00 -1.01 0.00 0.00 57.07 57.22 3hbb s TYR 499 Cb 0.18 -3.75 -0.04 0.00 -0.11 0.00 0.00 41.96 38.24 3hbb s TYR 499 CO 0.64 -2.61 0.07 -1.21 -1.11 0.00 0.00 175.55 171.33 3hbb s GLU 500 N 0.80 2.48 0.34 -0.62 2.02 -1.26 -4.98 118.70 117.47 3hbb s GLU 500 Ca 0.64 -1.33 0.04 0.00 0.02 0.00 0.00 54.97 54.34 3hbb s GLU 500 Cb -0.39 -2.27 0.66 0.00 0.10 0.00 0.00 34.13 32.22 3hbb s GLU 500 CO 0.33 0.35 1.96 1.49 0.02 0.00 0.00 175.26 179.40 3hbb h GLU 501 N 1.74 0.83 0.00 1.61 4.22 -1.94 -1.02 114.58 120.03 3hbb h GLU 501 Ca -0.45 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3hbb h GLU 501 Cb 1.25 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3hbb h GLU 501 CO 0.61 0.55 0.00 0.41 -2.18 0.00 0.00 179.01 178.40 3hbb n GLY 502 N -1.43 -0.95 0.16 1.92 0.00 -1.26 -2.98 105.19 100.65 3hbb n GLY 502 Ca 0.11 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.42 1.61 3.32 -1.53 -3.45 116.42 111.96 3hbb h ASP 503 Ca 0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 3hbb h ASP 503 Cb 0.21 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.53 3hbb h ASP 503 CO 0.00 0.00 -0.78 0.00 -1.72 0.00 0.00 179.24 176.74 3hbb s MET 504 N -3.23 0.84 -0.05 3.56 0.23 -1.16 0.48 119.30 119.98 3hbb s MET 504 Ca 0.07 -0.83 0.03 0.00 -1.03 0.00 0.00 55.69 53.93 3hbb s MET 504 Cb 0.09 -0.83 0.00 0.00 -1.53 0.00 0.00 34.83 32.57 3hbb s MET 504 CO 0.58 0.19 -0.13 -2.00 -2.03 0.00 0.00 175.02 171.64 3hbb s GLU 505 N -1.42 1.51 -0.28 3.16 2.56 0.96 -4.88 118.70 120.31 3hbb s GLU 505 Ca -0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 54.97 54.33 3hbb s GLU 505 Cb -0.09 -1.31 -0.02 0.00 2.00 0.00 0.00 34.13 34.71 3hbb s GLU 505 CO 0.02 0.13 0.55 0.08 -0.56 0.00 0.00 175.26 175.48 3hbb s VAL 506 N 0.31 5.03 0.09 3.70 1.01 -1.26 -1.33 120.40 127.94 3hbb s VAL 506 Ca -0.07 0.87 0.07 0.00 0.00 0.00 0.00 61.98 62.85 3hbb s VAL 506 Cb -0.12 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3hbb s VAL 506 CO 0.02 0.01 -0.14 0.27 0.00 0.00 0.00 175.10 175.26 3hbb s ILE 507 N 2.40 3.09 -1.32 2.22 -4.36 0.87 -4.65 121.20 119.45 3hbb s ILE 507 Ca 0.22 -1.29 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 3hbb s ILE 507 Cb -0.15 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.17 3hbb s ILE 507 CO 0.10 0.18 0.96 0.47 0.24 0.00 0.00 174.94 176.88 3hbb n ASP 508 N 0.97 -3.25 -4.42 4.36 8.00 -1.26 -1.11 116.55 119.85 3hbb n ASP 508 Ca -0.15 -0.68 -0.44 0.00 0.71 0.00 0.00 54.79 54.23 3hbb n ASP 508 Cb 0.52 -4.62 -0.07 0.00 -0.02 0.00 0.00 41.12 36.93 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 -3.43 3.14 -0.66 1.24 5.04 -1.26 -4.04 117.35 117.37 3hbb s TYR 509 Ca 0.24 -0.73 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 3hbb s TYR 509 Cb -0.11 -3.38 0.26 0.00 0.35 0.00 0.00 41.96 39.08 3hbb s TYR 509 CO 0.77 -0.93 0.83 0.00 -1.34 0.00 0.00 175.55 174.88 3hbb n ALA 510 N 5.72 4.23 -1.34 3.97 0.00 -1.26 -5.09 120.51 126.74 3hbb n ALA 510 Ca -0.09 -4.77 -0.29 0.00 0.00 0.00 0.00 53.44 48.28 3hbb n ALA 510 Cb 0.44 -0.98 0.14 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.63 1.22 0.78 0.00 0.04 -1.26 -4.99 135.00 128.16 3hbb s PRO 511 Ca 0.40 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 3hbb s PRO 511 Cb 0.16 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.93 3hbb s PRO 511 CO -0.02 -2.21 1.08 0.71 0.04 0.00 0.00 177.00 176.61 3hbb s TYR 512 N -3.06 2.78 0.97 0.56 2.02 -0.04 -4.98 117.35 115.60 3hbb s TYR 512 Ca 0.63 1.35 -0.12 0.00 -0.37 0.00 0.00 57.07 58.55 3hbb s TYR 512 Cb -0.17 -3.03 0.17 0.00 -0.40 0.00 0.00 41.96 38.53 3hbb s TYR 512 CO 0.56 -1.71 1.11 -2.14 -1.57 0.00 0.00 175.55 171.79 3hbb s PRO 513 N -5.03 0.64 0.33 -1.71 0.02 -1.26 -4.43 135.00 123.57 3hbb s PRO 513 Ca 0.60 0.43 -0.26 0.00 0.02 0.00 0.00 61.00 61.79 3hbb s PRO 513 Cb -0.15 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 3hbb s PRO 513 CO 0.55 -2.57 0.97 -1.25 -0.33 0.00 0.00 177.00 174.37 3hbb s PRO 514 N -5.08 4.52 0.00 5.54 0.04 -1.26 -4.92 135.00 133.84 3hbb s PRO 514 Ca 0.65 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3hbb s PRO 514 Cb -0.17 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.59 3hbb s PRO 514 CO 0.56 0.21 0.00 1.51 0.04 0.00 0.00 177.00 179.32