#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbb n LEU 3 N 0.00 0.88 -0.31 -3.43 -0.00 -1.26 -4.57 117.00 108.31 3hbb n LEU 3 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.15 3hbb n LEU 3 Cb 0.00 -2.11 0.61 0.00 -0.00 0.00 0.00 43.42 41.92 3hbb n LEU 3 CO 0.00 -0.81 0.90 0.49 -0.00 0.00 0.00 177.39 177.97 3hbb n PHE 4 N -2.10 0.00 -2.23 1.96 3.72 -1.26 -4.95 117.46 112.60 3hbb n PHE 4 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 3hbb n PHE 4 Cb 0.37 -0.04 0.08 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.11 2.04 -0.30 -1.08 1.02 -1.26 -5.06 119.74 112.99 3hbb s LYS 5 Ca 0.37 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.87 3hbb s LYS 5 Cb 0.21 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 3hbb s LYS 5 CO 0.38 -1.33 0.29 0.42 -0.92 0.00 0.00 175.35 174.19 3hbb s ILE 6 N -3.27 5.23 -0.15 2.17 1.01 -1.26 -5.02 121.20 119.91 3hbb s ILE 6 Ca 0.62 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 3hbb s ILE 6 Cb -0.10 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 3hbb s ILE 6 CO 0.45 0.12 1.02 -0.60 0.00 0.00 0.00 174.94 175.93 3hbb s ARG 7 N 1.91 4.36 0.67 2.79 3.52 -1.26 -0.63 118.95 130.31 3hbb s ARG 7 Ca 0.10 1.37 -0.16 0.00 -0.13 0.00 0.00 55.73 56.92 3hbb s ARG 7 Cb -0.16 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 3hbb s ARG 7 CO 0.11 -0.44 1.16 -1.64 -0.81 0.00 0.00 175.30 173.68 3hbb s MET 8 N 2.47 2.58 0.85 5.12 -1.94 0.32 -4.89 119.30 123.81 3hbb s MET 8 Ca 0.46 1.61 -0.11 0.00 -1.71 0.00 0.00 55.69 55.94 3hbb s MET 8 Cb -0.17 -1.90 0.10 0.00 2.01 0.00 0.00 34.83 34.87 3hbb s MET 8 CO 0.13 -1.46 1.09 -2.14 -0.01 0.00 0.00 175.02 172.63 3hbb s PRO 9 N -3.88 1.63 0.17 2.03 0.02 -1.26 -4.95 135.00 128.76 3hbb s PRO 9 Ca 0.72 0.92 -0.05 0.00 0.02 0.00 0.00 61.00 62.60 3hbb s PRO 9 Cb -0.25 -1.84 0.06 0.00 0.02 0.00 0.00 34.50 32.48 3hbb s PRO 9 CO 0.41 -2.01 1.48 1.05 -0.33 0.00 0.00 177.00 177.60 3hbb h GLU 10 N -1.39 0.65 -5.82 5.54 9.09 -1.95 -3.47 114.58 117.23 3hbb h GLU 10 Ca -0.47 -0.41 -0.55 0.00 0.05 0.00 0.00 59.36 57.98 3hbb h GLU 10 Cb 1.27 0.05 -0.14 0.00 -1.65 0.00 0.00 28.75 28.27 3hbb h GLU 10 CO 0.54 1.02 -0.71 0.99 0.05 0.00 0.00 179.01 180.90 3hbb s THR 11 N -4.04 2.04 0.28 -1.06 2.01 -1.26 -5.13 115.64 108.48 3hbb s THR 11 Ca -0.08 -2.24 -0.29 0.00 0.31 0.00 0.00 61.69 59.38 3hbb s THR 11 Cb 0.11 -2.37 -0.10 0.00 0.01 0.00 0.00 72.50 70.15 3hbb s THR 11 CO 0.85 -0.37 1.19 0.68 -0.69 0.00 0.00 174.62 176.29 3hbb s VAL 12 N -2.77 3.23 0.20 3.82 -7.23 -1.26 -4.94 120.40 111.45 3hbb s VAL 12 Ca 0.29 1.19 -0.33 0.00 -1.81 0.00 0.00 61.98 61.32 3hbb s VAL 12 Cb 0.00 -3.76 -0.13 0.00 0.56 0.00 0.00 36.38 33.05 3hbb s VAL 12 CO 0.13 0.26 1.58 0.00 -0.31 0.00 0.00 175.10 176.76 3hbb n ALA 13 N 1.34 1.72 -1.61 1.32 0.00 -1.26 -4.82 120.51 117.20 3hbb n ALA 13 Ca 0.00 0.43 -0.52 0.00 0.00 0.00 0.00 53.44 53.35 3hbb n ALA 13 Cb 0.44 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 3hbb n ALA 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hbb n GLU 14 N 3.18 1.47 0.00 0.00 1.02 -1.26 -1.20 120.64 123.84 3hbb n GLU 14 Ca 0.15 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3hbb n GLU 14 Cb 0.31 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.31 3hbb n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hbb n GLY 15 N 5.10 1.49 3.74 0.62 0.00 -1.26 -4.86 105.19 110.02 3hbb n GLY 15 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 3hbb n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hbb s THR 16 N -2.13 2.83 0.05 2.61 -4.23 -0.34 -5.04 115.64 109.39 3hbb s THR 16 Ca 0.00 0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3hbb s THR 16 Cb 0.00 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 3hbb s THR 16 CO 0.00 -0.33 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.05 3hbb s ARG 17 N -4.62 0.66 0.23 3.99 3.52 -1.26 -5.05 118.95 116.42 3hbb s ARG 17 Ca 0.65 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 3hbb s ARG 17 Cb -0.20 -0.54 -0.10 0.00 -1.56 0.00 0.00 34.95 32.55 3hbb s ARG 17 CO 0.54 0.12 1.45 -0.51 -0.81 0.00 0.00 175.30 176.08 3hbb s LEU 18 N -1.50 4.38 0.13 -0.88 1.43 -1.26 -4.93 118.68 116.05 3hbb s LEU 18 Ca -0.05 2.63 -0.34 0.00 -1.03 0.00 0.00 54.13 55.33 3hbb s LEU 18 Cb -0.09 -3.62 -0.14 0.00 0.03 0.00 0.00 46.19 42.37 3hbb s LEU 18 CO 0.01 -0.71 1.57 0.00 0.23 0.00 0.00 176.35 177.45 3hbb n ALA 19 N 2.68 1.04 -2.74 4.21 0.00 -1.26 -4.95 120.51 119.49 3hbb n ALA 19 Ca 0.08 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.62 3hbb n ALA 19 Cb 0.40 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 3hbb n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hbb s LEU 20 N 1.12 3.77 0.33 0.00 1.43 -1.26 -4.28 118.68 119.78 3hbb s LEU 20 Ca 0.81 0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.87 3hbb s LEU 20 Cb -0.72 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 43.38 3hbb s LEU 20 CO 0.40 0.33 0.83 -0.60 0.23 0.00 0.00 176.35 177.54 3hbb s ARG 21 N -1.28 4.24 0.17 1.70 6.06 -0.73 -4.98 118.95 124.13 3hbb s ARG 21 Ca 0.18 0.97 -0.28 0.00 -2.50 0.00 0.00 55.73 54.09 3hbb s ARG 21 Cb -0.12 -2.55 -0.08 0.00 0.06 0.00 0.00 34.95 32.26 3hbb s ARG 21 CO 0.07 0.19 0.88 0.00 -2.50 0.00 0.00 175.30 173.95 3hbb s ALA 22 N -1.84 3.35 0.04 6.12 0.00 -1.26 -4.88 121.76 123.29 3hbb s ALA 22 Ca 0.53 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.99 3hbb s ALA 22 Cb -0.13 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 3hbb s ALA 22 CO 0.18 0.16 -0.04 -0.59 0.00 0.00 0.00 175.76 175.48 3hbb s PHE 23 N -0.78 0.49 0.26 0.00 -0.71 -0.75 -4.14 117.98 112.35 3hbb s PHE 23 Ca 0.41 -0.83 0.07 0.00 -1.04 0.00 0.00 56.93 55.54 3hbb s PHE 23 Cb -0.24 -0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 3hbb s PHE 23 CO 0.29 -0.27 0.19 -1.12 -1.34 0.00 0.00 175.22 172.97 3hbb s SER 24 N -2.35 5.47 -0.09 1.98 0.01 -0.05 -0.66 113.70 118.01 3hbb s SER 24 Ca -0.01 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 56.99 3hbb s SER 24 Cb 0.00 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.86 3hbb s SER 24 CO -0.06 -0.05 -0.18 -0.22 0.41 0.00 0.00 173.24 173.14 3hbb s LEU 25 N -3.84 2.45 -0.15 2.44 0.20 -0.29 0.04 118.68 119.53 3hbb s LEU 25 Ca 0.33 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.78 3hbb s LEU 25 Cb -0.08 -1.51 0.01 0.00 -0.43 0.00 0.00 46.19 44.19 3hbb s LEU 25 CO 0.25 0.21 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.63 3hbb s VAL 26 N 0.04 2.00 -0.01 1.68 1.01 -0.42 -0.30 120.40 124.41 3hbb s VAL 26 Ca -0.07 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 3hbb s VAL 26 Cb -0.15 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3hbb s VAL 26 CO 0.05 0.54 0.14 0.54 0.00 0.00 0.00 175.10 176.37 3hbb s VAL 27 N 1.04 0.07 -0.13 2.92 0.11 -0.44 -4.46 120.40 119.50 3hbb s VAL 27 Ca -0.02 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 3hbb s VAL 27 Cb -0.14 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 3hbb s VAL 27 CO -0.07 -0.32 -0.20 0.00 -3.33 0.00 0.00 175.10 171.18 3hbb s ALA 28 N -1.16 2.11 0.11 1.54 0.00 -1.26 -0.96 121.76 122.14 3hbb s ALA 28 Ca -0.12 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 50.89 3hbb s ALA 28 Cb -0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 3hbb s ALA 28 CO 0.01 -0.05 -0.16 0.14 0.00 0.00 0.00 175.76 175.71 3hbb s VAL 29 N 0.87 1.39 0.85 0.00 -7.23 0.76 -4.55 120.40 112.49 3hbb s VAL 29 Ca -0.07 -1.58 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 3hbb s VAL 29 Cb -0.15 -1.43 0.17 0.00 0.56 0.00 0.00 36.38 35.53 3hbb s VAL 29 CO -0.02 -0.27 1.17 1.51 -0.31 0.00 0.00 175.10 177.17 3hbb s ASP 30 N -2.14 3.64 0.39 4.85 1.47 -0.31 -0.22 116.67 124.36 3hbb s ASP 30 Ca 0.06 -0.15 0.15 0.00 1.18 0.00 0.00 52.55 53.78 3hbb s ASP 30 Cb -0.08 -0.01 0.82 0.00 -0.34 0.00 0.00 42.92 43.31 3hbb s ASP 30 CO 0.03 -2.36 1.86 -0.33 0.68 0.00 0.00 175.17 175.06 3hbb h GLU 31 N -1.10 0.00 0.00 2.11 5.08 -1.67 0.04 114.58 119.04 3hbb h GLU 31 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3hbb h GLU 31 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3hbb h GLU 31 CO 0.36 0.33 0.00 0.54 -1.00 0.00 0.00 179.01 179.24 3hbb n ARG 32 N -4.04 0.09 -0.35 2.33 1.74 -1.26 -4.89 116.66 110.27 3hbb n ARG 32 Ca -0.02 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3hbb n ARG 32 Cb 0.38 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.50 0.75 3.75 -0.13 0.00 0.00 -4.93 105.19 105.13 3hbb n GLY 33 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3hbb n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hbb s GLY 34 N -1.68 3.00 -0.08 -0.02 0.00 -1.26 0.65 107.32 107.93 3hbb s GLY 34 Ca 0.00 0.82 0.09 0.00 0.00 0.00 0.00 44.72 45.63 3hbb s GLY 34 CO 0.00 1.50 0.07 0.29 0.00 0.00 0.00 173.10 174.97 3hbb n ILE 35 N 1.68 0.57 -3.75 0.90 -5.35 0.43 -1.16 119.36 112.68 3hbb n ILE 35 Ca 0.00 -0.40 -0.01 0.00 -0.27 0.00 0.00 62.75 62.07 3hbb n ILE 35 Cb 0.46 -0.55 -0.00 0.00 -1.74 0.00 0.00 39.64 37.81 3hbb n ILE 35 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hbb s GLY 36 N -4.07 -0.23 -0.04 3.28 0.00 -1.23 -4.73 107.32 100.30 3hbb s GLY 36 Ca -0.05 0.25 0.14 0.00 0.00 0.00 0.00 44.72 45.06 3hbb s GLY 36 CO 0.43 1.16 1.36 1.22 0.00 0.00 0.00 173.10 177.27 3hbb n ASP 37 N -0.69 3.08 0.00 1.64 8.00 -0.72 -2.02 116.55 125.84 3hbb n ASP 37 Ca -0.05 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.27 3hbb n ASP 37 Cb 0.61 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3hbb n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hbb n GLY 38 N 1.05 3.12 0.02 0.44 0.00 -1.26 -4.74 105.19 103.82 3hbb n GLY 38 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.71 0.69 -3.92 1.61 5.12 -1.26 -5.00 116.66 112.20 3hbb n ARG 39 Ca 0.00 0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.85 3hbb n ARG 39 Cb 0.00 -1.08 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 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 -4.23 -0.02 -0.11 0.55 1.04 -1.26 -4.66 113.70 105.01 3hbb s SER 40 Ca -0.05 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 55.22 3hbb s SER 40 Cb 0.01 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 3hbb s SER 40 CO 0.10 -1.36 0.76 -0.63 0.98 0.00 0.00 173.24 173.09 3hbb s ILE 41 N -3.50 4.97 -0.23 -1.02 -1.09 -1.26 -1.75 121.20 117.32 3hbb s ILE 41 Ca 0.18 1.52 0.28 0.00 -2.23 0.00 0.00 60.65 60.40 3hbb s ILE 41 Cb -0.04 -4.08 0.33 0.00 -1.58 0.00 0.00 42.46 37.09 3hbb s ILE 41 CO 0.10 0.15 1.83 -0.65 -1.23 0.00 0.00 174.94 175.14 3hbb h PRO 42 N 7.05 0.00 -5.94 2.79 0.11 -1.95 -3.46 132.00 130.59 3hbb h PRO 42 Ca -0.36 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.17 3hbb h PRO 42 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 3hbb h PRO 42 CO 0.78 0.00 -0.71 1.67 -0.21 0.00 0.00 178.00 179.53 3hbb s TRP 43 N -3.45 2.24 -0.35 0.65 -2.14 -1.26 -5.13 118.94 109.51 3hbb s TRP 43 Ca 0.04 -0.47 0.02 0.00 2.66 0.00 0.00 56.10 58.35 3hbb s TRP 43 Cb 0.09 -1.16 0.11 0.00 -3.10 0.00 0.00 33.47 29.40 3hbb s TRP 43 CO 0.51 0.57 0.10 1.21 -2.66 0.00 0.00 176.95 176.68 3hbb s ASN 44 N -3.53 4.40 -0.44 -2.66 2.47 -1.26 -5.05 114.94 108.87 3hbb s ASN 44 Ca 0.30 -2.09 0.02 0.00 0.42 0.00 0.00 52.86 51.51 3hbb s ASN 44 Cb -0.00 -1.33 0.14 0.00 -1.45 0.00 0.00 41.25 38.61 3hbb s ASN 44 CO 0.15 -0.37 0.25 -0.69 -3.72 0.00 0.00 177.10 172.71 3hbb s VAL 45 N 1.00 1.25 0.58 -5.21 1.01 -1.26 -4.76 120.40 113.00 3hbb s VAL 45 Ca 0.12 -2.50 0.28 0.00 0.00 0.00 0.00 61.98 59.88 3hbb s VAL 45 Cb -0.19 -1.87 0.39 0.00 0.00 0.00 0.00 36.38 34.70 3hbb s VAL 45 CO -0.12 -0.92 1.95 -0.65 0.00 0.00 0.00 175.10 175.35 3hbb h PRO 46 N 6.68 0.00 -0.01 2.72 0.11 -1.97 -0.35 132.00 139.19 3hbb h PRO 46 Ca 0.02 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 3hbb h PRO 46 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3hbb h PRO 46 CO 0.46 0.00 -0.46 0.93 -0.21 0.00 0.00 178.00 178.71 3hbb h GLU 47 N 0.00 0.02 -0.10 1.05 3.07 -1.99 -1.20 114.58 115.42 3hbb h GLU 47 Ca 0.22 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 58.85 3hbb h GLU 47 Cb 1.07 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3hbb h GLU 47 CO -0.00 0.48 -0.79 0.22 -1.40 0.00 0.00 179.01 177.51 3hbb h ASP 48 N 0.01 0.88 -0.41 1.42 3.58 -1.49 -2.34 116.42 118.07 3hbb h ASP 48 Ca -0.00 -0.66 0.07 0.00 0.42 0.00 0.00 57.03 56.86 3hbb h ASP 48 Cb 0.83 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.55 3hbb h ASP 48 CO 0.06 1.41 0.03 0.24 -2.88 0.00 0.00 179.24 178.10 3hbb h MET 49 N 0.42 0.14 -0.21 0.28 2.86 -1.31 0.14 114.93 117.25 3hbb h MET 49 Ca -0.07 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3hbb h MET 49 Cb 1.44 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.05 3hbb h MET 49 CO 0.16 0.10 0.11 -0.22 1.06 0.00 0.00 176.91 178.12 3hbb h LYS 50 N 0.15 0.29 -0.76 1.72 3.64 -1.26 -0.75 116.57 119.61 3hbb h LYS 50 Ca 0.20 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 3hbb h LYS 50 Cb 0.27 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 3hbb h LYS 50 CO -0.31 0.27 0.43 0.35 -2.27 0.00 0.00 179.45 177.92 3hbb h PHE 51 N 0.23 0.78 -0.33 1.91 3.57 -0.96 -0.66 116.94 121.49 3hbb h PHE 51 Ca 0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3hbb h PHE 51 Cb 0.06 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 3hbb h PHE 51 CO -0.04 0.35 0.09 0.35 -2.23 0.00 0.00 178.31 176.83 3hbb h PHE 52 N 0.75 0.54 -0.19 0.41 3.57 -0.37 -1.06 116.94 120.60 3hbb h PHE 52 Ca 0.35 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3hbb h PHE 52 Cb 0.27 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3hbb h PHE 52 CO -0.07 0.55 0.12 -0.09 -2.23 0.00 0.00 178.31 176.59 3hbb h ARG 53 N 0.37 0.24 -0.36 1.11 2.43 -0.71 -2.73 114.38 114.73 3hbb h ARG 53 Ca 0.10 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 3hbb h ARG 53 Cb 0.27 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3hbb h ARG 53 CO -0.00 0.16 -0.30 -0.44 -1.51 0.00 0.00 179.97 177.87 3hbb h ASP 54 N 0.25 0.81 0.09 -3.80 3.32 -0.97 -1.27 116.42 114.84 3hbb h ASP 54 Ca 0.07 -0.33 -0.17 0.00 0.02 0.00 0.00 57.03 56.62 3hbb h ASP 54 Cb -0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 3hbb h ASP 54 CO -0.02 1.05 -0.62 1.62 -1.72 0.00 0.00 179.24 179.56 3hbb h VAL 55 N 0.66 1.34 0.00 -1.35 3.04 -1.17 -2.60 116.25 116.16 3hbb h VAL 55 Ca 0.07 -1.91 -0.02 0.00 -1.01 0.00 0.00 66.70 63.84 3hbb h VAL 55 Cb 0.84 1.88 -0.00 0.00 -2.01 0.00 0.00 31.29 32.00 3hbb h VAL 55 CO 0.07 0.59 -0.98 0.71 -1.01 0.00 0.00 177.57 176.95 3hbb h THR 56 N 0.39 0.07 0.01 3.17 1.35 -1.41 -3.38 112.91 113.10 3hbb h THR 56 Ca -0.01 -1.12 -0.24 0.00 -0.55 0.00 0.00 66.41 64.48 3hbb h THR 56 Cb 1.17 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 69.16 3hbb h THR 56 CO 0.11 0.04 -1.33 0.74 -0.25 0.00 0.00 175.52 174.83 3hbb h THR 57 N 0.00 0.88 -4.01 6.82 2.02 -1.28 -3.43 112.91 113.91 3hbb h THR 57 Ca -0.02 -2.19 -0.54 0.00 0.77 0.00 0.00 66.41 64.43 3hbb h THR 57 Cb 1.07 2.24 0.12 0.00 -1.74 0.00 0.00 68.15 69.83 3hbb h THR 57 CO 0.01 0.36 0.62 -0.54 0.37 0.00 0.00 175.52 176.33 3hbb s LYS 58 N -2.38 3.47 0.50 6.66 1.02 -0.98 -4.66 119.74 123.37 3hbb s LYS 58 Ca -0.28 2.22 0.06 0.00 0.02 0.00 0.00 55.97 57.99 3hbb s LYS 58 Cb 0.06 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 3hbb s LYS 58 CO 0.61 -0.92 0.39 -0.51 -0.92 0.00 0.00 175.35 174.00 3hbb s LEU 59 N -3.10 2.94 0.47 3.17 1.43 -1.26 -4.94 118.68 117.38 3hbb s LEU 59 Ca 0.66 -1.08 0.26 0.00 -1.03 0.00 0.00 54.13 52.94 3hbb s LEU 59 Cb -0.40 -1.46 0.94 0.00 0.03 0.00 0.00 46.19 45.30 3hbb s LEU 59 CO 0.49 -0.94 1.83 0.03 0.23 0.00 0.00 176.35 177.98 3hbb h ARG 60 N 0.86 0.00 0.00 1.70 3.08 -1.96 -3.47 114.38 114.59 3hbb h ARG 60 Ca -0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3hbb h ARG 60 Cb 1.29 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.35 3hbb h ARG 60 CO 0.58 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 180.03 3hbb n GLY 61 N 0.29 -2.84 0.00 0.04 0.00 -1.26 -5.02 105.19 96.41 3hbb n GLY 61 Ca 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3hbb n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hbb n LYS 62 N -1.80 0.00 -3.22 1.61 4.76 -1.26 -4.57 118.16 113.68 3hbb n LYS 62 Ca 0.01 0.27 -0.24 0.00 -2.87 0.00 0.00 58.31 55.48 3hbb n LYS 62 Cb 0.03 -1.03 -0.06 0.00 -1.84 0.00 0.00 35.03 32.12 3hbb n LYS 62 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hbb n ASN 63 N -1.32 1.59 -4.50 4.39 3.02 -1.26 -5.08 115.26 112.10 3hbb n ASN 63 Ca 0.00 -3.03 -0.42 0.00 -0.03 0.00 0.00 54.58 51.10 3hbb n ASN 63 Cb 0.00 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.50 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 -2.05 4.13 0.18 2.41 1.01 -1.26 -5.01 120.40 119.82 3hbb s VAL 64 Ca 0.38 0.07 -0.33 0.00 0.00 0.00 0.00 61.98 62.11 3hbb s VAL 64 Cb 0.21 -4.73 -0.13 0.00 0.00 0.00 0.00 36.38 31.72 3hbb s VAL 64 CO -0.08 -1.51 1.59 0.29 0.00 0.00 0.00 175.10 175.39 3hbb n LYS 65 N 8.21 2.26 -2.02 2.72 5.02 -1.26 -4.62 118.16 128.46 3hbb n LYS 65 Ca 0.00 0.81 -0.42 0.00 -2.02 0.00 0.00 58.31 56.69 3hbb n LYS 65 Cb 0.47 -2.58 -0.03 0.00 -0.02 0.00 0.00 35.03 32.87 3hbb n LYS 65 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hbb s PRO 66 N 0.78 4.27 0.08 1.97 0.02 -1.26 -4.96 135.00 135.90 3hbb s PRO 66 Ca 0.77 2.28 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3hbb s PRO 66 Cb -0.64 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.69 3hbb s PRO 66 CO 0.38 -0.46 -0.03 -1.54 -0.33 0.00 0.00 177.00 175.02 3hbb s SER 67 N 0.64 0.76 0.66 2.53 1.04 -1.01 -4.92 113.70 113.40 3hbb s SER 67 Ca 0.62 -1.03 0.29 0.00 0.48 0.00 0.00 55.95 56.31 3hbb s SER 67 Cb -0.41 0.16 1.55 0.00 0.10 0.00 0.00 66.02 67.42 3hbb s SER 67 CO 0.38 -0.56 1.88 -0.65 0.98 0.00 0.00 173.24 175.27 3hbb h PRO 68 N 3.03 0.00 -0.04 4.02 0.11 -1.97 -1.74 132.00 135.41 3hbb h PRO 68 Ca -0.35 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.61 3hbb h PRO 68 Cb 1.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hbb h PRO 68 CO 0.65 0.00 -0.55 0.00 -0.21 0.00 0.00 178.00 177.88 3hbb h ALA 69 N 1.28 0.12 -2.47 -0.75 0.00 -1.95 -3.45 119.26 112.04 3hbb h ALA 69 Ca 0.01 -0.54 -0.29 0.00 0.00 0.00 0.00 54.91 54.09 3hbb h ALA 69 Cb 0.76 0.02 -0.35 0.00 0.00 0.00 0.00 17.79 18.22 3hbb h ALA 69 CO -0.00 0.35 -0.60 0.21 0.00 0.00 0.00 179.25 179.21 3hbb s LYS 70 N -3.39 0.21 0.33 0.00 2.20 -0.66 -3.59 119.74 114.83 3hbb s LYS 70 Ca -0.13 0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 55.63 3hbb s LYS 70 Cb 0.04 -1.03 0.02 0.00 -1.51 0.00 0.00 37.83 35.36 3hbb s LYS 70 CO 0.82 -0.63 0.64 -0.98 -0.36 0.00 0.00 175.35 174.85 3hbb s ARG 71 N 2.36 1.94 0.43 4.03 1.70 0.18 -2.41 118.95 127.17 3hbb s ARG 71 Ca 0.07 -1.38 0.03 0.00 -0.47 0.00 0.00 55.73 53.98 3hbb s ARG 71 Cb -0.15 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3hbb s ARG 71 CO -0.12 -0.86 0.62 -0.80 -1.08 0.00 0.00 175.30 173.05 3hbb s ASN 72 N -3.07 5.77 0.07 -2.89 0.01 -1.26 -0.02 114.94 113.55 3hbb s ASN 72 Ca 0.19 0.04 0.08 0.00 -0.71 0.00 0.00 52.86 52.46 3hbb s ASN 72 Cb -0.03 -1.26 -0.03 0.00 0.41 0.00 0.00 41.25 40.33 3hbb s ASN 72 CO 0.12 -0.70 -0.22 0.00 -1.51 0.00 0.00 177.10 174.79 3hbb s ALA 73 N -2.46 1.90 -0.11 0.60 0.00 -0.59 -0.82 121.76 120.28 3hbb s ALA 73 Ca 0.49 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3hbb s ALA 73 Cb -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3hbb s ALA 73 CO 0.36 0.42 -0.23 0.14 0.00 0.00 0.00 175.76 176.44 3hbb s VAL 74 N -0.93 2.03 -0.17 0.00 -7.23 0.10 0.01 120.40 114.20 3hbb s VAL 74 Ca 0.08 -0.99 -0.06 0.00 -1.81 0.00 0.00 61.98 59.20 3hbb s VAL 74 Cb -0.09 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 3hbb s VAL 74 CO 0.03 0.55 0.02 -0.69 -0.31 0.00 0.00 175.10 174.70 3hbb s VAL 75 N 0.48 4.40 0.04 1.32 1.01 0.80 -0.79 120.40 127.66 3hbb s VAL 75 Ca -0.16 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3hbb s VAL 75 Cb -0.17 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3hbb s VAL 75 CO 0.06 0.47 -0.04 0.00 0.00 0.00 0.00 175.10 175.59 3hbb s MET 76 N 0.40 0.46 0.72 2.72 0.23 -0.18 -1.74 119.30 121.91 3hbb s MET 76 Ca 0.00 -0.85 -0.11 0.00 -1.03 0.00 0.00 55.69 53.70 3hbb s MET 76 Cb -0.13 0.04 0.02 0.00 -1.53 0.00 0.00 34.83 33.24 3hbb s MET 76 CO 0.01 -0.05 1.08 0.20 -2.03 0.00 0.00 175.02 174.23 3hbb s GLY 77 N -1.98 1.75 0.31 3.16 0.00 0.09 -1.06 107.32 109.59 3hbb s GLY 77 Ca -0.07 0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.88 3hbb s GLY 77 CO -0.03 0.55 1.90 -0.09 0.00 0.00 0.00 173.10 175.43 3hbb h ARG 78 N -0.74 0.79 -0.67 2.90 2.43 -1.79 -2.58 114.38 114.72 3hbb h ARG 78 Ca -0.44 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 58.55 3hbb h ARG 78 Cb 1.22 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3hbb h ARG 78 CO 0.54 0.65 0.15 0.87 -1.51 0.00 0.00 179.97 180.67 3hbb h LYS 79 N 0.79 1.07 -0.52 0.20 1.57 -1.93 -0.76 116.57 117.00 3hbb h LYS 79 Ca 0.19 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hbb h LYS 79 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3hbb h LYS 79 CO -0.02 0.96 0.29 1.15 -0.57 0.00 0.00 179.45 181.26 3hbb h THR 80 N 1.00 1.17 -0.63 -0.16 2.02 -1.79 0.52 112.91 115.05 3hbb h THR 80 Ca 0.21 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 67.00 3hbb h THR 80 Cb 0.38 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3hbb h THR 80 CO 0.00 0.19 0.34 -0.25 0.37 0.00 0.00 175.52 176.17 3hbb h TRP 81 N 0.69 0.62 -0.07 3.16 2.91 -1.16 -2.18 115.95 119.93 3hbb h TRP 81 Ca 0.18 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 3hbb h TRP 81 Cb 0.04 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.50 3hbb h TRP 81 CO -0.02 0.30 -0.24 -0.44 -1.03 0.00 0.00 178.44 177.01 3hbb h ASP 82 N 0.63 0.11 0.79 2.65 3.32 -0.52 -2.55 116.42 120.86 3hbb h ASP 82 Ca 0.28 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 3hbb h ASP 82 Cb 0.18 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3hbb h ASP 82 CO -0.18 0.36 -0.43 0.77 -1.72 0.00 0.00 179.24 178.04 3hbb h SER 83 N 0.10 0.00 -3.14 6.45 4.64 -0.30 -3.42 113.55 117.89 3hbb h SER 83 Ca 0.02 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.76 3hbb h SER 83 Cb 0.49 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 3hbb h SER 83 CO 0.03 0.43 0.86 -0.63 -0.87 0.00 0.00 176.83 176.66 3hbb s ILE 84 N -3.61 4.46 0.18 0.95 1.01 -0.96 -4.97 121.20 118.26 3hbb s ILE 84 Ca -0.00 1.72 -0.33 0.00 0.00 0.00 0.00 60.65 62.03 3hbb s ILE 84 Cb 0.11 -4.26 -0.14 0.00 0.01 0.00 0.00 42.46 38.18 3hbb s ILE 84 CO 0.70 -0.32 1.53 -2.65 0.00 0.00 0.00 174.94 174.20 3hbb n PRO 85 N 6.73 2.12 -0.37 2.79 -0.02 -1.26 -4.80 135.00 140.18 3hbb n PRO 85 Ca 0.13 0.76 0.34 0.00 -2.02 0.00 0.00 63.50 62.71 3hbb n PRO 85 Cb 0.46 -2.50 0.60 0.00 -0.02 0.00 0.00 33.50 32.04 3hbb n PRO 85 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hbb n PRO 86 N 3.03 -0.05 0.00 0.52 -0.02 -1.26 -0.04 135.00 137.18 3hbb n PRO 86 Ca 0.15 1.27 0.04 0.00 -2.02 0.00 0.00 63.50 62.94 3hbb n PRO 86 Cb 0.29 -2.38 0.21 0.00 -0.02 0.00 0.00 33.50 31.61 3hbb n PRO 86 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3hbb n LYS 87 N -4.94 0.78 0.00 -0.52 2.85 -1.26 -2.36 118.16 112.71 3hbb n LYS 87 Ca 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 3hbb n LYS 87 Cb 1.36 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 3hbb n LYS 87 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3hbb n PHE 88 N -0.64 0.00 -3.64 5.58 3.72 0.94 -5.02 117.46 118.40 3hbb n PHE 88 Ca 0.05 -0.35 -0.37 0.00 -0.05 0.00 0.00 57.45 56.74 3hbb n PHE 88 Cb 0.02 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.46 3hbb n PHE 88 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3hbb s ARG 89 N -0.69 3.94 0.61 -1.08 0.52 -0.99 -3.70 118.95 117.56 3hbb s ARG 89 Ca 0.00 0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.24 3hbb s ARG 89 Cb 0.00 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 32.18 3hbb s ARG 89 CO 0.00 0.50 0.91 -1.25 0.02 0.00 0.00 175.30 175.49 3hbb s PRO 90 N -0.33 2.72 -0.11 3.54 0.04 -1.26 -4.98 135.00 134.62 3hbb s PRO 90 Ca 0.17 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 3hbb s PRO 90 Cb -0.13 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 3hbb s PRO 90 CO 0.06 -0.82 1.59 -0.51 0.04 0.00 0.00 177.00 177.35 3hbb s LEU 91 N -5.02 4.20 0.52 -3.56 1.43 -1.24 -4.94 118.68 110.06 3hbb s LEU 91 Ca 0.55 2.02 -0.22 0.00 -1.03 0.00 0.00 54.13 55.45 3hbb s LEU 91 Cb -0.11 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 3hbb s LEU 91 CO 0.44 -0.98 1.30 -2.65 0.23 0.00 0.00 176.35 174.69 3hbb n PRO 92 N 7.17 1.67 -1.15 1.29 -0.02 -1.26 -3.18 135.00 139.52 3hbb n PRO 92 Ca 0.17 0.61 -0.05 0.00 -2.02 0.00 0.00 63.50 62.21 3hbb n PRO 92 Cb 0.44 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3hbb n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hbb n GLY 93 N 0.82 0.69 2.94 -1.23 0.00 -1.26 -4.95 105.19 102.21 3hbb n GLY 93 Ca 0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.96 0.08 0.01 1.61 0.52 -1.19 -4.27 118.95 113.75 3hbb s ARG 94 Ca 0.00 0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 55.00 3hbb s ARG 94 Cb 0.00 0.04 -0.07 0.00 0.52 0.00 0.00 34.95 35.44 3hbb s ARG 94 CO 0.00 -0.01 1.58 -1.17 0.02 0.00 0.00 175.30 175.72 3hbb s LEU 95 N 0.04 4.34 -0.45 2.53 0.20 -0.01 -4.75 118.68 120.58 3hbb s LEU 95 Ca -0.00 2.30 -0.19 0.00 0.69 0.00 0.00 54.13 56.94 3hbb s LEU 95 Cb -0.00 -3.55 0.03 0.00 -0.43 0.00 0.00 46.19 42.23 3hbb s LEU 95 CO 0.00 -0.85 0.54 0.20 -0.29 0.00 0.00 176.35 175.96 3hbb s ASN 96 N 2.50 6.24 -0.33 3.68 0.02 -0.02 -0.72 114.94 126.31 3hbb s ASN 96 Ca 0.71 -0.64 -0.10 0.00 -1.02 0.00 0.00 52.86 51.81 3hbb s ASN 96 Cb -0.35 -2.27 -0.00 0.00 0.02 0.00 0.00 41.25 38.65 3hbb s ASN 96 CO 0.30 -0.72 0.17 -0.69 0.02 0.00 0.00 177.10 176.18 3hbb s VAL 97 N 2.45 4.64 -0.13 1.60 1.01 0.03 -1.34 120.40 128.66 3hbb s VAL 97 Ca 0.16 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3hbb s VAL 97 Cb -0.17 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3hbb s VAL 97 CO 0.15 -0.00 -0.02 -0.69 0.00 0.00 0.00 175.10 174.54 3hbb s VAL 98 N 1.61 4.08 -0.29 2.92 1.01 -0.76 -1.01 120.40 127.96 3hbb s VAL 98 Ca 0.04 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 3hbb s VAL 98 Cb -0.17 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3hbb s VAL 98 CO 0.07 0.54 0.32 -0.76 0.00 0.00 0.00 175.10 175.27 3hbb s LEU 99 N -0.17 4.13 -0.22 3.92 1.43 -0.22 -0.15 118.68 127.39 3hbb s LEU 99 Ca 0.04 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.95 3hbb s LEU 99 Cb -0.13 -2.32 0.09 0.00 0.03 0.00 0.00 46.19 43.86 3hbb s LEU 99 CO 0.02 -0.19 0.82 -0.55 0.23 0.00 0.00 176.35 176.69 3hbb s SER 100 N 1.69 -0.62 0.06 2.29 0.15 -0.69 -2.25 113.70 114.35 3hbb s SER 100 Ca 0.12 1.06 0.20 0.00 0.70 0.00 0.00 55.95 58.03 3hbb s SER 100 Cb -0.16 1.04 -0.14 0.00 -1.71 0.00 0.00 66.02 65.04 3hbb s SER 100 CO 0.11 -0.30 0.76 -1.54 1.20 0.00 0.00 173.24 173.47 3hbb n SER 101 N 2.06 0.63 -0.06 5.45 3.41 -1.26 -3.68 113.62 120.17 3hbb n SER 101 Ca -0.14 0.26 -0.02 0.00 -0.26 0.00 0.00 58.87 58.71 3hbb n SER 101 Cb 0.56 0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 65.14 3hbb n SER 101 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hbb h THR 102 N 0.00 0.00 -3.57 6.66 1.35 -1.97 -3.48 112.91 111.90 3hbb h THR 102 Ca -0.12 -0.99 -0.52 0.00 -0.55 0.00 0.00 66.41 64.23 3hbb h THR 102 Cb 1.37 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 3hbb h THR 102 CO 0.02 0.00 0.29 -0.76 -0.25 0.00 0.00 175.52 174.83 3hbb s LEU 103 N -8.35 4.53 0.47 3.87 2.01 -1.26 -5.07 118.68 114.88 3hbb s LEU 103 Ca -0.07 1.74 0.08 0.00 0.01 0.00 0.00 54.13 55.89 3hbb s LEU 103 Cb 0.01 -3.48 0.02 0.00 0.01 0.00 0.00 46.19 42.74 3hbb s LEU 103 CO 0.10 0.04 0.51 0.42 1.01 0.00 0.00 176.35 178.42 3hbb s THR 104 N -0.42 2.50 0.15 5.49 -4.23 -1.26 -4.67 115.64 113.21 3hbb s THR 104 Ca 0.42 -1.21 -0.23 0.00 -1.18 0.00 0.00 61.69 59.49 3hbb s THR 104 Cb -0.23 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3hbb s THR 104 CO 0.28 0.00 1.62 0.74 -0.54 0.00 0.00 174.62 176.72 3hbb h THR 105 N 0.73 0.33 0.00 3.99 2.02 -1.93 0.13 112.91 118.18 3hbb h THR 105 Ca -0.38 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3hbb h THR 105 Cb 1.28 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3hbb h THR 105 CO 0.51 0.00 -0.02 1.56 0.37 0.00 0.00 175.52 177.94 3hbb h GLN 106 N -0.28 0.00 -0.03 6.66 1.08 -1.96 -0.42 115.11 120.16 3hbb h GLN 106 Ca 0.14 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.13 3hbb h GLN 106 Cb 0.50 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3hbb h GLN 106 CO -0.41 0.02 -0.87 0.45 -0.95 0.00 0.00 178.83 177.07 3hbb h HIS 107 N 0.00 0.60 0.30 2.96 3.86 -1.18 -3.39 115.15 118.30 3hbb h HIS 107 Ca -0.00 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 3hbb h HIS 107 Cb 0.07 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3hbb h HIS 107 CO 0.00 1.10 -0.15 -0.07 0.86 0.00 0.00 177.93 179.68 3hbb h LEU 108 N 0.25 -0.34 -9.52 2.43 3.38 0.77 -3.40 115.31 108.88 3hbb h LEU 108 Ca -0.06 -0.16 -0.53 0.00 0.09 0.00 0.00 57.88 57.22 3hbb h LEU 108 Cb 1.48 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 3hbb h LEU 108 CO 0.15 0.13 0.48 -1.48 0.09 0.00 0.00 178.44 177.81 3hbb s LEU 109 N -9.13 4.41 0.00 1.67 2.34 -0.91 -4.24 118.68 112.82 3hbb s LEU 109 Ca -0.11 1.94 0.00 0.00 0.06 0.00 0.00 54.13 56.02 3hbb s LEU 109 Cb 0.01 -3.58 0.00 0.00 -0.56 0.00 0.00 46.19 42.05 3hbb s LEU 109 CO 0.38 -0.33 0.00 0.47 -1.06 0.00 0.00 176.35 175.81 3hbb n ASP 110 N 3.45 -0.90 0.00 1.48 8.00 -1.26 -4.63 116.55 122.69 3hbb n ASP 110 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3hbb n ASP 110 Cb 0.48 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3hbb n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hbb n GLY 111 N 1.64 3.17 3.78 0.44 0.00 -1.26 -4.85 105.19 108.11 3hbb n GLY 111 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hbb n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbb s LEU 112 N 0.00 4.00 0.08 0.99 1.43 -1.26 -4.87 118.68 119.05 3hbb s LEU 112 Ca 0.00 2.19 -0.27 0.00 -1.03 0.00 0.00 54.13 55.02 3hbb s LEU 112 Cb 0.00 -4.30 -0.16 0.00 0.03 0.00 0.00 46.19 41.77 3hbb s LEU 112 CO 0.00 -0.83 1.69 -0.65 0.23 0.00 0.00 176.35 176.79 3hbb h PRO 113 N 2.02 -0.38 0.00 1.29 0.11 -1.94 -3.45 132.00 129.65 3hbb h PRO 113 Ca -0.49 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hbb h PRO 113 Cb 1.24 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hbb h PRO 113 CO 0.60 -0.25 0.00 -3.47 -0.21 0.00 0.00 178.00 174.67 3hbb n ASP 114 N -5.27 0.00 -4.82 -2.05 -0.08 -1.26 -5.15 116.55 97.92 3hbb n ASP 114 Ca -0.09 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.95 3hbb n ASP 114 Cb 0.18 0.16 -0.05 0.00 2.34 0.00 0.00 41.12 43.75 3hbb n ASP 114 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3hbb s GLU 115 N -1.93 2.36 0.00 -0.67 0.41 -1.26 -5.13 118.70 112.47 3hbb s GLU 115 Ca 0.00 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 3hbb s GLU 115 Cb 0.00 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 3hbb s GLU 115 CO 0.00 -0.22 0.00 -2.39 -0.49 0.00 0.00 175.26 172.16 3hbb n HIS 121 N -1.44 0.00 -2.60 1.61 -0.00 -1.26 -5.06 115.22 106.47 3hbb n HIS 121 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 3hbb n HIS 121 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.61 3hbb n HIS 121 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hbb s ALA 122 N -2.00 3.07 -0.29 1.59 0.00 -1.26 -4.65 121.76 118.22 3hbb s ALA 122 Ca 0.00 -2.63 0.11 0.00 0.00 0.00 0.00 51.96 49.44 3hbb s ALA 122 Cb 0.00 -4.55 0.68 0.00 0.00 0.00 0.00 23.12 19.25 3hbb s ALA 122 CO 0.00 -3.41 1.69 -0.40 0.00 0.00 0.00 175.76 173.64 3hbb n ASP 123 N 8.43 4.38 -2.19 0.00 5.68 -1.26 -4.49 116.55 127.10 3hbb n ASP 123 Ca 0.40 -3.25 -0.27 0.00 -0.50 0.00 0.00 54.79 51.17 3hbb n ASP 123 Cb 0.48 -0.69 0.13 0.00 -1.14 0.00 0.00 41.12 39.90 3hbb n ASP 123 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hbb n SER 124 N -0.33 5.32 -3.96 -1.12 7.64 -1.26 -4.90 113.62 115.00 3hbb n SER 124 Ca 0.36 -3.70 -0.18 0.00 1.01 0.00 0.00 58.87 56.36 3hbb n SER 124 Cb 1.25 -0.86 -0.15 0.00 -1.01 0.00 0.00 64.21 63.43 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 -3.97 0.57 -0.11 0.44 1.01 -1.26 -0.84 121.20 117.04 3hbb s ILE 125 Ca 0.59 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 3hbb s ILE 125 Cb 0.48 -0.51 0.05 0.00 0.01 0.00 0.00 42.46 42.49 3hbb s ILE 125 CO 0.05 0.18 0.22 0.54 0.00 0.00 0.00 174.94 175.93 3hbb s VAL 126 N 0.16 -0.28 0.43 2.92 0.11 -0.45 -4.96 120.40 118.33 3hbb s VAL 126 Ca -0.02 0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 59.09 3hbb s VAL 126 Cb -0.07 -0.37 -0.10 0.00 -1.53 0.00 0.00 36.38 34.32 3hbb s VAL 126 CO -0.00 0.12 1.00 0.00 -3.33 0.00 0.00 175.10 172.88 3hbb s ALA 127 N 2.10 3.00 -0.13 1.54 0.00 -1.26 -1.82 121.76 125.20 3hbb s ALA 127 Ca -0.01 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 3hbb s ALA 127 Cb -0.12 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.82 3hbb s ALA 127 CO -0.07 -0.09 -0.04 0.08 0.00 0.00 0.00 175.76 175.64 3hbb s VAL 128 N -1.96 0.84 -1.30 0.00 1.01 0.78 -4.76 120.40 115.01 3hbb s VAL 128 Ca 0.62 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 3hbb s VAL 128 Cb -0.15 -0.98 0.11 0.00 0.00 0.00 0.00 36.38 35.36 3hbb s VAL 128 CO 0.19 0.22 1.76 -3.20 0.00 0.00 0.00 175.10 174.07 3hbb n ASN 129 N 4.99 4.85 0.00 3.32 2.85 -1.24 -1.70 115.26 128.33 3hbb n ASN 129 Ca -0.11 -2.95 0.00 0.00 -0.11 0.00 0.00 54.58 51.41 3hbb n ASN 129 Cb 0.49 -1.64 0.00 0.00 1.24 0.00 0.00 39.78 39.87 3hbb n ASN 129 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hbb n GLY 130 N 4.37 -2.07 0.00 8.20 0.00 -1.26 -4.97 105.19 109.46 3hbb n GLY 130 Ca 0.45 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.50 1.18 0.23 -0.02 0.00 -1.26 -4.41 105.19 100.41 3hbb n GLY 131 Ca 0.00 -1.77 -0.02 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 0.39 -0.29 0.99 5.85 -1.96 -2.86 115.31 117.43 3hbb h LEU 132 Ca 0.00 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3hbb h LEU 132 Cb 0.00 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3hbb h LEU 132 CO 0.00 0.65 0.17 -0.08 -0.34 0.00 0.00 178.44 178.84 3hbb h GLU 133 N 0.35 0.35 -0.91 1.25 4.81 -1.95 -0.06 114.58 118.42 3hbb h GLU 133 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hbb h GLU 133 Cb 0.64 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 3hbb h GLU 133 CO 0.05 0.23 0.54 1.96 -0.73 0.00 0.00 179.01 181.06 3hbb h GLN 134 N 0.36 1.24 -0.36 1.92 7.50 -1.89 -0.22 115.11 123.65 3hbb h GLN 134 Ca 0.11 -0.12 -0.11 0.00 0.50 0.00 0.00 58.65 59.03 3hbb h GLN 134 Cb -0.01 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.25 3hbb h GLN 134 CO -0.05 0.87 -0.22 0.00 -1.50 0.00 0.00 178.83 177.93 3hbb h ALA 135 N 1.30 0.93 -0.05 3.87 0.00 -1.25 -0.01 119.26 124.05 3hbb h ALA 135 Ca 0.33 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3hbb h ALA 135 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hbb h ALA 135 CO -0.06 0.61 -0.64 -0.07 0.00 0.00 0.00 179.25 179.09 3hbb h LEU 136 N 0.63 0.22 0.25 0.00 3.38 -0.61 -1.31 115.31 117.86 3hbb h LEU 136 Ca 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hbb h LEU 136 Cb 0.71 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hbb h LEU 136 CO 0.05 0.80 -0.12 1.56 0.09 0.00 0.00 178.44 180.83 3hbb h GLN 137 N 0.14 -0.32 -0.62 1.13 4.20 -0.88 -1.92 115.11 116.84 3hbb h GLN 137 Ca -0.01 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.81 3hbb h GLN 137 Cb 1.15 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.94 3hbb h GLN 137 CO 0.10 -0.08 0.25 1.25 -0.67 0.00 0.00 178.83 179.68 3hbb h LEU 138 N -0.53 0.26 0.00 1.46 7.12 -0.90 -0.31 115.31 122.41 3hbb h LEU 138 Ca -0.03 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.05 3hbb h LEU 138 Cb 0.39 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 3hbb h LEU 138 CO 0.06 0.15 0.00 0.18 -0.13 0.00 0.00 178.44 178.70 3hbb n LEU 139 N -4.98 0.00 -0.09 2.25 4.77 -0.50 -1.66 117.00 116.80 3hbb n LEU 139 Ca 0.09 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.18 3hbb n LEU 139 Cb 0.27 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3hbb n LEU 139 CO 0.23 0.00 0.14 0.00 -1.33 0.00 0.00 177.39 176.43 3hbb n ALA 140 N -0.97 4.26 -1.59 -1.18 0.00 -0.13 -4.06 120.51 116.84 3hbb n ALA 140 Ca 0.17 -0.55 -0.39 0.00 0.00 0.00 0.00 53.44 52.67 3hbb n ALA 140 Cb 0.08 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 18.70 3hbb n ALA 140 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hbb n SER 141 N -1.23 0.68 0.30 0.00 7.64 -0.66 -4.67 113.62 115.67 3hbb n SER 141 Ca 0.06 0.90 0.15 0.00 1.01 0.00 0.00 58.87 60.98 3hbb n SER 141 Cb 0.35 -1.33 0.79 0.00 -1.01 0.00 0.00 64.21 63.01 3hbb n SER 141 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3hbb h PRO 142 N 0.94 0.00 -0.10 1.43 0.11 -1.94 0.22 132.00 132.66 3hbb h PRO 142 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 3hbb h PRO 142 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3hbb h PRO 142 CO 0.53 0.00 -0.62 -0.91 -0.21 0.00 0.00 178.00 176.78 3hbb h ASN 143 N 0.00 0.41 0.00 -2.05 -0.26 -1.92 -3.39 115.58 108.37 3hbb h ASN 143 Ca 0.00 -0.24 -0.33 0.00 -0.56 0.00 0.00 56.30 55.17 3hbb h ASN 143 Cb 0.50 -0.12 -0.06 0.00 -1.06 0.00 0.00 38.32 37.58 3hbb h ASN 143 CO 0.00 0.93 -2.26 -1.22 -1.06 0.00 0.00 177.43 173.82 3hbb n TYR 144 N -3.88 0.00 0.28 1.19 4.01 0.00 -4.54 117.16 114.22 3hbb n TYR 144 Ca -0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 3hbb n TYR 144 Cb 0.64 -0.90 0.79 0.00 -0.31 0.00 0.00 39.34 39.57 3hbb n TYR 144 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3hbb h THR 145 N 0.00 0.72 0.52 -0.72 1.35 -1.52 0.28 112.91 113.54 3hbb h THR 145 Ca -0.50 -0.05 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 3hbb h THR 145 Cb 2.07 1.03 0.01 0.00 -1.73 0.00 0.00 68.15 69.52 3hbb h THR 145 CO 0.01 0.01 -0.25 -0.65 -0.25 0.00 0.00 175.52 174.39 3hbb h PRO 146 N 0.00 -0.68 0.01 4.72 0.11 -1.80 -3.39 132.00 130.97 3hbb h PRO 146 Ca -0.00 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hbb h PRO 146 Cb 0.03 0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3hbb h PRO 146 CO 0.00 -0.45 -0.00 0.66 -0.21 0.00 0.00 178.00 178.00 3hbb h SER 147 N -1.07 -0.01 -3.61 -2.05 4.64 -1.49 -3.43 113.55 106.54 3hbb h SER 147 Ca -0.07 -0.02 -0.61 0.00 -0.47 0.00 0.00 61.79 60.62 3hbb h SER 147 Cb 0.54 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.52 3hbb h SER 147 CO 0.12 0.02 0.52 -0.63 -0.87 0.00 0.00 176.83 175.99 3hbb s ILE 148 N -6.10 4.55 -0.15 0.95 -1.09 0.93 -0.65 121.20 119.64 3hbb s ILE 148 Ca -0.13 0.78 -0.20 0.00 -2.23 0.00 0.00 60.65 58.87 3hbb s ILE 148 Cb 0.06 -4.37 -0.17 0.00 -1.58 0.00 0.00 42.46 36.39 3hbb s ILE 148 CO 0.66 -0.72 0.38 -0.08 -1.23 0.00 0.00 174.94 173.95 3hbb h GLU 149 N 8.89 0.00 -5.13 2.79 4.81 -0.71 -3.44 114.58 121.79 3hbb h GLU 149 Ca -0.24 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.57 3hbb h GLU 149 Cb 1.08 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.21 3hbb h GLU 149 CO 0.99 0.73 -0.79 0.99 -0.73 0.00 0.00 179.01 180.21 3hbb s THR 150 N -2.15 0.98 -0.15 0.32 2.01 -1.26 -5.02 115.64 110.36 3hbb s THR 150 Ca -0.18 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 3hbb s THR 150 Cb 0.01 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3hbb s THR 150 CO 0.50 0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 3hbb s VAL 151 N -0.76 3.30 -0.07 3.82 1.01 -1.26 -1.55 120.40 124.90 3hbb s VAL 151 Ca 0.01 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3hbb s VAL 151 Cb -0.07 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3hbb s VAL 151 CO 0.01 0.50 -0.13 -0.31 0.00 0.00 0.00 175.10 175.17 3hbb s TYR 152 N 0.55 2.77 -0.53 5.22 2.02 0.10 -0.87 117.35 126.61 3hbb s TYR 152 Ca -0.06 -0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 3hbb s TYR 152 Cb -0.15 -1.70 0.11 0.00 -0.40 0.00 0.00 41.96 39.82 3hbb s TYR 152 CO 0.03 0.12 0.51 0.00 -1.57 0.00 0.00 175.55 174.65 3hbb n ILE 154 N 5.31 0.00 0.00 0.00 -5.35 -0.71 -1.30 119.36 117.30 3hbb n ILE 154 Ca -0.12 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 3hbb n ILE 154 Cb 0.42 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 1.40 0.66 0.00 3.28 0.00 -1.13 -4.93 105.19 104.45 3hbb n GLY 155 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 2.49 0.28 -0.02 0.00 -1.26 -0.73 105.19 105.95 3hbb n GLY 156 Ca 0.00 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.51 3hbb n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbb h GLY 157 N 0.00 1.08 1.40 -0.02 0.00 -1.96 -0.28 103.07 103.29 3hbb h GLY 157 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 3hbb h GLY 157 CO 0.00 -0.21 -0.08 1.48 0.00 0.00 0.00 176.54 177.73 3hbb h SER 158 N 0.28 0.70 -0.17 0.19 4.64 -1.96 -0.96 113.55 116.27 3hbb h SER 158 Ca 0.43 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 3hbb h SER 158 Cb 0.75 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3hbb h SER 158 CO -0.52 0.82 -0.43 0.58 -0.87 0.00 0.00 176.83 176.41 3hbb h VAL 159 N 0.66 1.34 -0.67 0.95 2.07 -1.52 -2.21 116.25 116.86 3hbb h VAL 159 Ca 0.12 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.98 3hbb h VAL 159 Cb 0.52 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3hbb h VAL 159 CO 0.03 0.52 0.43 1.88 0.02 0.00 0.00 177.57 180.44 3hbb h TYR 160 N 0.24 0.80 -0.20 1.57 0.05 -1.00 -0.48 116.97 117.95 3hbb h TYR 160 Ca -0.01 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3hbb h TYR 160 Cb 1.04 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 38.47 3hbb h TYR 160 CO 0.10 0.47 -0.08 0.00 -1.05 0.00 0.00 178.16 177.59 3hbb h ALA 161 N 1.28 0.09 -0.57 3.88 0.00 -1.09 -1.74 119.26 121.10 3hbb h ALA 161 Ca 0.26 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3hbb h ALA 161 Cb -0.01 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hbb h ALA 161 CO -0.09 -0.51 0.16 1.49 0.00 0.00 0.00 179.25 180.30 3hbb h GLU 162 N -0.05 0.87 0.00 0.00 4.81 -1.09 -2.39 114.58 116.72 3hbb h GLU 162 Ca 0.11 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3hbb h GLU 162 Cb 0.21 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3hbb h GLU 162 CO -0.24 0.76 -0.17 0.00 -0.73 0.00 0.00 179.01 178.64 3hbb h ALA 163 N 1.33 1.42 -0.04 2.92 0.00 -0.52 -2.95 119.26 121.42 3hbb h ALA 163 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hbb h ALA 163 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hbb h ALA 163 CO -0.01 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.73 3hbb n LEU 164 N -3.89 1.86 -4.39 0.00 7.99 -0.71 -2.63 117.00 115.23 3hbb n LEU 164 Ca -0.02 -0.64 -0.20 0.00 -0.01 0.00 0.00 56.01 55.14 3hbb n LEU 164 Cb 0.26 -0.02 -0.10 0.00 -0.11 0.00 0.00 43.42 43.45 3hbb n LEU 164 CO 0.33 0.32 -0.41 0.00 -1.51 0.00 0.00 177.39 176.12 3hbb s ARG 165 N -1.96 1.45 0.39 3.23 1.70 -1.11 -4.73 118.95 117.93 3hbb s ARG 165 Ca 0.36 -1.69 -0.26 0.00 -0.47 0.00 0.00 55.73 53.66 3hbb s ARG 165 Cb 0.20 -1.17 -0.09 0.00 -0.57 0.00 0.00 34.95 33.33 3hbb s ARG 165 CO 0.32 0.12 1.28 -2.14 -1.08 0.00 0.00 175.30 173.81 3hbb s PRO 166 N -3.68 4.03 0.39 3.89 0.02 -1.26 -1.02 135.00 137.37 3hbb s PRO 166 Ca 0.26 2.12 0.21 0.00 0.02 0.00 0.00 61.00 63.62 3hbb s PRO 166 Cb 0.01 -2.79 0.26 0.00 0.02 0.00 0.00 34.50 32.00 3hbb s PRO 166 CO 0.10 -0.43 1.54 -1.00 -0.33 0.00 0.00 177.00 176.88 3hbb h PRO 167 N 2.77 0.00 -0.61 5.54 0.13 -1.99 -3.46 132.00 134.37 3hbb h PRO 167 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3hbb h PRO 167 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 3hbb h PRO 167 CO 0.63 0.10 0.33 0.00 -0.23 0.00 0.00 178.00 178.83 3hbb h VAL 169 N 0.83 0.26 0.00 0.00 3.04 -0.83 0.22 116.25 119.77 3hbb h VAL 169 Ca 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 3hbb h VAL 169 Cb 0.06 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 3hbb h VAL 169 CO -0.03 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.94 3hbb n HIS 170 N -3.46 0.00 0.40 3.17 8.25 -1.13 -2.65 115.22 119.80 3hbb n HIS 170 Ca 0.05 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.61 3hbb n HIS 170 Cb 0.59 -0.46 0.14 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.46 2.92 -4.58 2.41 7.99 0.78 -4.93 117.00 120.11 3hbb n LEU 171 Ca 0.08 -1.35 -0.42 0.00 -0.01 0.00 0.00 56.01 54.31 3hbb n LEU 171 Cb 0.32 -0.14 -0.02 0.00 -0.11 0.00 0.00 43.42 43.47 3hbb n LEU 171 CO 0.26 0.60 1.15 -0.22 -1.51 0.00 0.00 177.39 177.67 3hbb s LEU 172 N -1.37 3.47 0.14 2.23 2.96 -1.08 -1.80 118.68 123.23 3hbb s LEU 172 Ca 0.28 0.28 0.14 0.00 -0.22 0.00 0.00 54.13 54.61 3hbb s LEU 172 Cb 0.17 -3.22 -0.08 0.00 0.50 0.00 0.00 46.19 43.56 3hbb s LEU 172 CO 0.25 -1.52 1.11 0.06 -1.32 0.00 0.00 176.35 174.93 3hbb h GLN 173 N 10.10 0.00 -2.40 1.98 3.07 -1.23 -3.43 115.11 123.20 3hbb h GLN 173 Ca -0.26 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.57 3hbb h GLN 173 Cb 1.07 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 28.49 3hbb h GLN 173 CO 1.17 0.50 0.45 0.00 0.09 0.00 0.00 178.83 181.03 3hbb s ALA 174 N -2.87 -1.79 -0.13 0.06 0.00 -1.26 -4.33 121.76 111.44 3hbb s ALA 174 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3hbb s ALA 174 Cb 0.08 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.72 3hbb s ALA 174 CO 0.79 -0.70 -0.11 0.42 0.00 0.00 0.00 175.76 176.16 3hbb s ILE 175 N -3.22 1.32 -0.46 0.00 1.01 0.22 -1.14 121.20 118.92 3hbb s ILE 175 Ca 0.04 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3hbb s ILE 175 Cb -0.01 -1.27 0.08 0.00 0.01 0.00 0.00 42.46 41.27 3hbb s ILE 175 CO -0.10 0.42 0.36 -0.31 0.00 0.00 0.00 174.94 175.31 3hbb s TYR 176 N 1.55 3.29 -0.13 3.97 2.02 0.59 -0.30 117.35 128.34 3hbb s TYR 176 Ca 0.04 -1.22 -0.00 0.00 -0.37 0.00 0.00 57.07 55.52 3hbb s TYR 176 Cb -0.13 -3.20 -0.02 0.00 -0.40 0.00 0.00 41.96 38.22 3hbb s TYR 176 CO -0.09 -0.85 -0.12 0.50 -1.57 0.00 0.00 175.55 173.42 3hbb s ARG 177 N 1.55 3.38 -0.21 -0.62 3.52 -0.65 -1.33 118.95 124.59 3hbb s ARG 177 Ca 0.04 -0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 54.89 3hbb s ARG 177 Cb -0.25 -2.65 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 3hbb s ARG 177 CO 0.04 0.24 0.08 0.99 -0.81 0.00 0.00 175.30 175.84 3hbb s THR 178 N 0.30 4.75 -0.30 4.11 2.01 -0.13 -1.66 115.64 124.71 3hbb s THR 178 Ca -0.09 -0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 3hbb s THR 178 Cb -0.15 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 3hbb s THR 178 CO 0.05 0.40 0.18 -0.89 -0.69 0.00 0.00 174.62 173.67 3hbb s THR 179 N 0.89 5.06 -0.27 -0.82 2.01 -0.45 -0.17 115.64 121.89 3hbb s THR 179 Ca 0.04 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 3hbb s THR 179 Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3hbb s THR 179 CO 0.03 0.15 0.39 -0.63 -0.69 0.00 0.00 174.62 173.87 3hbb s ILE 180 N 1.71 5.16 -0.03 1.82 1.09 0.69 -1.97 121.20 129.68 3hbb s ILE 180 Ca 0.06 0.60 -0.00 0.00 -1.10 0.00 0.00 60.65 60.22 3hbb s ILE 180 Cb -0.16 -3.71 0.02 0.00 -1.06 0.00 0.00 42.46 37.54 3hbb s ILE 180 CO 0.09 0.15 1.99 0.54 -0.10 0.00 0.00 174.94 177.61 3hbb n ARG 181 N 5.34 1.07 -4.00 2.79 5.12 0.06 -3.39 116.66 123.66 3hbb n ARG 181 Ca -0.08 -0.15 -0.30 0.00 -1.93 0.00 0.00 57.85 55.39 3hbb n ARG 181 Cb 0.51 -1.06 -0.05 0.00 -1.16 0.00 0.00 32.46 30.70 3hbb n ARG 181 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hbb s ALA 182 N -0.17 3.73 -0.30 7.54 0.00 -1.26 -4.65 121.76 126.65 3hbb s ALA 182 Ca 0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3hbb s ALA 182 Cb 0.02 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.62 3hbb s ALA 182 CO -0.00 0.75 -0.00 -1.12 0.00 0.00 0.00 175.76 175.38 3hbb s SER 183 N -2.53 4.85 -0.23 0.00 0.01 -1.26 -3.93 113.70 110.60 3hbb s SER 183 Ca 0.32 -1.36 -0.06 0.00 1.31 0.00 0.00 55.95 56.15 3hbb s SER 183 Cb -0.12 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 3hbb s SER 183 CO 0.24 -0.27 0.03 -1.61 0.41 0.00 0.00 173.24 172.05 3hbb s GLU 184 N 1.21 3.60 0.00 12.44 0.41 -1.26 -4.95 118.70 130.15 3hbb s GLU 184 Ca -0.04 -0.51 0.12 0.00 -0.41 0.00 0.00 54.97 54.12 3hbb s GLU 184 Cb -0.20 -3.21 0.59 0.00 -1.78 0.00 0.00 34.13 29.52 3hbb s GLU 184 CO -0.02 -0.15 1.32 0.43 -0.49 0.00 0.00 175.26 176.35 3hbb n SER 185 N 4.75 0.00 0.06 -0.19 7.64 -1.26 -3.45 113.62 121.18 3hbb n SER 185 Ca -0.17 0.20 -0.13 0.00 1.01 0.00 0.00 58.87 59.79 3hbb n SER 185 Cb 0.51 -0.33 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 3hbb n SER 185 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3hbb h SER 186 N 0.00 -0.13 -1.86 6.43 0.02 -1.99 -3.45 113.55 112.56 3hbb h SER 186 Ca 0.00 -0.29 -0.66 0.00 -0.84 0.00 0.00 61.79 60.00 3hbb h SER 186 Cb 0.13 0.03 0.03 0.00 0.14 0.00 0.00 62.40 62.74 3hbb h SER 186 CO 0.00 0.24 0.89 0.00 -1.14 0.00 0.00 176.83 176.82 3hbb n SER 188 N 5.08 1.13 -4.55 0.00 3.41 -1.03 -4.97 113.62 112.69 3hbb n SER 188 Ca 0.22 -0.51 -0.34 0.00 -0.26 0.00 0.00 58.87 57.99 3hbb n SER 188 Cb 0.22 1.13 -0.12 0.00 -0.26 0.00 0.00 64.21 65.19 3hbb n SER 188 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hbb s VAL 189 N -2.11 3.75 0.14 -3.33 1.01 -0.86 -4.98 120.40 114.02 3hbb s VAL 189 Ca 0.01 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.61 3hbb s VAL 189 Cb 0.07 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3hbb s VAL 189 CO 0.39 0.57 -0.13 -0.36 0.00 0.00 0.00 175.10 175.56 3hbb s PHE 190 N -0.44 1.41 -0.06 5.22 0.40 -1.26 -0.42 117.98 122.83 3hbb s PHE 190 Ca 0.07 -0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 55.78 3hbb s PHE 190 Cb -0.12 -0.72 0.03 0.00 0.51 0.00 0.00 43.02 42.72 3hbb s PHE 190 CO 0.02 0.16 0.07 0.12 0.70 0.00 0.00 175.22 176.29 3hbb s PHE 191 N -2.44 0.06 -0.15 0.36 5.36 0.21 -4.83 117.98 116.55 3hbb s PHE 191 Ca 0.12 0.22 0.01 0.00 -0.96 0.00 0.00 56.93 56.31 3hbb s PHE 191 Cb -0.03 -0.49 0.02 0.00 -0.34 0.00 0.00 43.02 42.18 3hbb s PHE 191 CO 0.03 -0.23 -0.16 1.03 -1.46 0.00 0.00 175.22 174.44 3hbb s ARG 192 N 2.17 2.46 -0.11 10.12 1.81 -1.26 -4.69 118.95 129.45 3hbb s ARG 192 Ca 0.05 -0.62 -0.30 0.00 -1.72 0.00 0.00 55.73 53.14 3hbb s ARG 192 Cb -0.12 -2.19 -0.03 0.00 -0.45 0.00 0.00 34.95 32.15 3hbb s ARG 192 CO -0.04 -0.21 1.40 0.08 -0.68 0.00 0.00 175.30 175.85 3hbb s VAL 193 N 1.39 3.99 0.30 3.52 1.01 -1.26 -4.99 120.40 124.36 3hbb s VAL 193 Ca 0.04 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 3hbb s VAL 193 Cb -0.13 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 3hbb s VAL 193 CO -0.10 -0.09 1.25 -2.84 0.00 0.00 0.00 175.10 173.31 3hbb s PRO 194 N 3.50 4.44 0.22 2.72 0.02 -1.26 -5.00 135.00 139.65 3hbb s PRO 194 Ca 0.62 2.07 -0.21 0.00 0.02 0.00 0.00 61.00 63.50 3hbb s PRO 194 Cb -0.27 -3.12 -0.08 0.00 0.02 0.00 0.00 34.50 31.05 3hbb s PRO 194 CO 0.21 -0.08 0.74 -1.21 -0.33 0.00 0.00 177.00 176.33 3hbb s GLU 195 N -1.42 4.31 0.01 5.54 2.02 -1.26 -4.74 118.70 123.15 3hbb s GLU 195 Ca 0.49 0.93 -0.39 0.00 0.02 0.00 0.00 54.97 56.02 3hbb s GLU 195 Cb -0.37 -2.92 -0.18 0.00 0.10 0.00 0.00 34.13 30.75 3hbb s GLU 195 CO 0.47 0.41 1.24 0.45 0.02 0.00 0.00 175.26 177.85 3hbb n SER 196 N 0.83 0.87 0.00 -0.19 2.88 -1.26 -1.42 113.62 115.33 3hbb n SER 196 Ca -0.03 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3hbb n SER 196 Cb 0.51 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 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 2.16 3.27 3.88 0.46 0.00 -1.26 -5.03 105.19 108.66 3hbb n GLY 197 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.34 4.29 0.17 2.61 -4.23 -0.51 -4.99 115.64 110.64 3hbb s THR 198 Ca 0.00 0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 61.03 3hbb s THR 198 Cb 0.00 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 70.17 3hbb s THR 198 CO 0.00 -0.93 1.79 -0.33 -0.54 0.00 0.00 174.62 174.61 3hbb h GLU 199 N -0.37 0.72 0.00 3.99 5.08 -1.96 -2.43 114.58 119.61 3hbb h GLU 199 Ca -0.45 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3hbb h GLU 199 Cb 1.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hbb h GLU 199 CO 0.62 0.54 0.00 0.00 -1.00 0.00 0.00 179.01 179.17 3hbb h ALA 200 N 1.15 1.00 0.00 3.43 0.00 -1.94 0.53 119.26 123.43 3hbb h ALA 200 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hbb h ALA 200 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hbb h ALA 200 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3hbb n ALA 201 N -2.04 2.02 -4.39 0.00 0.00 -0.91 -4.81 120.51 110.38 3hbb n ALA 201 Ca -0.03 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3hbb n ALA 201 Cb 0.08 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.78 -1.46 -0.56 0.00 0.00 0.18 -0.49 120.51 116.39 3hbb n ALA 202 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hbb n ALA 202 Cb 0.35 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.55 0.86 3.81 0.00 0.00 -1.26 -5.05 105.19 102.01 3hbb n GLY 203 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.17 4.84 -0.49 -0.61 -1.09 0.36 -5.05 121.20 115.98 3hbb s ILE 204 Ca 0.00 1.11 -0.09 0.00 -2.23 0.00 0.00 60.65 59.44 3hbb s ILE 204 Cb 0.00 -3.85 0.13 0.00 -1.58 0.00 0.00 42.46 37.16 3hbb s ILE 204 CO 0.00 0.55 0.36 -1.61 -1.23 0.00 0.00 174.94 173.01 3hbb s GLU 205 N -0.99 2.51 0.09 2.79 2.02 -1.26 -4.45 118.70 119.40 3hbb s GLU 205 Ca 0.28 -1.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.12 3hbb s GLU 205 Cb -0.19 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.07 3hbb s GLU 205 CO 0.17 -1.19 0.99 -1.58 0.02 0.00 0.00 175.26 173.66 3hbb s TRP 206 N 1.21 3.74 0.06 1.61 0.52 -1.26 -1.03 118.94 123.79 3hbb s TRP 206 Ca 0.07 1.74 0.05 0.00 0.02 0.00 0.00 56.10 57.98 3hbb s TRP 206 Cb -0.25 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 28.94 3hbb s TRP 206 CO -0.01 0.04 -0.13 -0.65 0.02 0.00 0.00 176.95 176.21 3hbb s GLN 207 N 0.27 0.79 -0.53 4.98 -0.21 -0.04 -4.60 119.66 120.32 3hbb s GLN 207 Ca 0.49 -0.87 -0.26 0.00 0.02 0.00 0.00 55.36 54.74 3hbb s GLN 207 Cb -0.23 -0.77 0.03 0.00 1.00 0.00 0.00 33.01 33.04 3hbb s GLN 207 CO 0.30 0.17 1.03 0.50 -2.12 0.00 0.00 175.29 175.17 3hbb s ARG 208 N -1.55 3.47 -0.01 2.91 3.52 -1.26 -0.83 118.95 125.20 3hbb s ARG 208 Ca -0.02 0.08 -0.21 0.00 -0.13 0.00 0.00 55.73 55.44 3hbb s ARG 208 Cb -0.09 -4.00 -0.22 0.00 -1.56 0.00 0.00 34.95 29.08 3hbb s ARG 208 CO 0.02 -1.47 1.10 1.49 -0.81 0.00 0.00 175.30 175.63 3hbb h GLU 209 N 9.31 0.32 -3.86 5.12 4.81 -1.19 -3.48 114.58 125.62 3hbb h GLU 209 Ca -0.25 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.57 3hbb h GLU 209 Cb 1.07 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.39 3hbb h GLU 209 CO 1.11 1.00 -0.42 0.95 -0.73 0.00 0.00 179.01 180.91 3hbb s THR 210 N -3.31 0.15 -0.14 0.32 -4.23 -1.18 -4.99 115.64 102.26 3hbb s THR 210 Ca -0.14 -1.26 -0.07 0.00 -1.18 0.00 0.00 61.69 59.04 3hbb s THR 210 Cb 0.03 -1.34 0.06 0.00 1.34 0.00 0.00 72.50 72.58 3hbb s THR 210 CO 0.79 -0.70 0.32 -0.51 -0.54 0.00 0.00 174.62 173.98 3hbb s ILE 211 N -3.81 -0.12 0.72 2.99 2.07 -1.26 -1.43 121.20 120.37 3hbb s ILE 211 Ca 0.05 0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.32 3hbb s ILE 211 Cb 0.05 -0.49 0.03 0.00 0.13 0.00 0.00 42.46 42.18 3hbb s ILE 211 CO -0.11 0.06 1.08 -0.94 -1.91 0.00 0.00 174.94 173.12 3hbb s SER 212 N 1.54 4.95 0.72 4.50 1.04 0.10 -5.00 113.70 121.55 3hbb s SER 212 Ca -0.08 1.76 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 3hbb s SER 212 Cb -0.10 -2.51 0.03 0.00 0.10 0.00 0.00 66.02 63.54 3hbb s SER 212 CO -0.10 -1.73 1.15 -1.83 0.98 0.00 0.00 173.24 171.70 3hbb s GLU 213 N -4.85 2.35 0.15 4.02 -1.05 -1.26 -4.68 118.70 113.39 3hbb s GLU 213 Ca 0.61 1.55 -0.31 0.00 -0.15 0.00 0.00 54.97 56.66 3hbb s GLU 213 Cb -0.16 -1.88 -0.11 0.00 -0.44 0.00 0.00 34.13 31.54 3hbb s GLU 213 CO 0.53 -1.63 1.77 -2.00 0.95 0.00 0.00 175.26 174.89 3hbb s GLU 214 N -4.10 4.14 0.30 -4.83 2.12 -1.26 -4.73 118.70 110.34 3hbb s GLU 214 Ca 0.70 2.58 0.09 0.00 0.36 0.00 0.00 54.97 58.69 3hbb s GLU 214 Cb -0.24 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 3hbb s GLU 214 CO 0.45 -0.80 0.09 -0.51 -0.54 0.00 0.00 175.26 173.95 3hbb s LEU 215 N 2.14 3.28 -0.10 2.70 1.43 0.10 -4.96 118.68 123.28 3hbb s LEU 215 Ca 0.78 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3hbb s LEU 215 Cb -0.47 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3hbb s LEU 215 CO 0.34 -0.16 -0.15 -0.89 0.23 0.00 0.00 176.35 175.72 3hbb s THR 216 N -2.36 2.89 0.43 5.49 2.01 -1.26 -0.85 115.64 122.00 3hbb s THR 216 Ca 0.35 -0.74 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 3hbb s THR 216 Cb -0.04 -2.17 -0.11 0.00 0.01 0.00 0.00 72.50 70.19 3hbb s THR 216 CO 0.22 0.55 0.96 -0.55 -0.69 0.00 0.00 174.62 175.11 3hbb s SER 217 N -0.04 6.86 -0.35 3.53 0.15 0.80 -4.96 113.70 119.69 3hbb s SER 217 Ca -0.04 1.74 0.03 0.00 0.70 0.00 0.00 55.95 58.38 3hbb s SER 217 Cb -0.14 -2.55 0.52 0.00 -1.71 0.00 0.00 66.02 62.15 3hbb s SER 217 CO 0.04 -0.41 1.72 0.00 1.20 0.00 0.00 173.24 175.79 3hbb n ALA 218 N -0.62 4.92 1.89 5.45 0.00 -1.26 -4.20 120.51 126.69 3hbb n ALA 218 Ca 0.07 -2.26 0.14 0.00 0.00 0.00 0.00 53.44 51.39 3hbb n ALA 218 Cb 0.54 -1.35 0.82 0.00 0.00 0.00 0.00 19.45 19.46 3hbb n ALA 218 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hbb n ASN 219 N -0.78 0.00 -0.37 0.00 0.23 -1.26 -4.89 115.26 108.19 3hbb n ASN 219 Ca 0.47 -1.02 -0.04 0.00 -0.53 0.00 0.00 54.58 53.46 3hbb n ASN 219 Cb 1.42 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 39.11 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 0.85 0.35 0.00 4.83 0.00 -1.26 -4.89 105.19 105.06 3hbb n GLY 220 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.35 0.82 -2.16 1.61 3.02 -1.26 -5.00 115.26 113.64 3hbb n ASN 221 Ca -0.04 -1.29 -0.12 0.00 -0.03 0.00 0.00 54.58 53.09 3hbb n ASN 221 Cb 0.41 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.15 -1.98 -1.66 3.52 -0.58 -1.26 -4.88 120.64 113.66 3hbb n GLU 222 Ca 0.00 0.63 -0.45 0.00 -0.42 0.00 0.00 57.16 56.92 3hbb n GLU 222 Cb 0.26 -5.13 -0.04 0.00 -0.57 0.00 0.00 31.44 25.96 3hbb n GLU 222 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3hbb n THR 223 N -2.98 0.64 -2.75 2.62 -1.04 -1.26 -4.65 114.28 104.86 3hbb n THR 223 Ca -0.14 -0.16 -0.36 0.00 -2.04 0.00 0.00 64.05 61.35 3hbb n THR 223 Cb 0.56 -2.13 -0.06 0.00 -1.82 0.00 0.00 70.33 66.88 3hbb n THR 223 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3hbb s LYS 224 N 4.54 4.43 0.21 -2.82 -0.14 -1.26 -0.14 119.74 124.56 3hbb s LYS 224 Ca 0.92 1.31 -0.19 0.00 -1.36 0.00 0.00 55.97 56.65 3hbb s LYS 224 Cb -0.55 -2.61 0.03 0.00 -1.68 0.00 0.00 37.83 33.02 3hbb s LYS 224 CO 0.46 0.14 0.58 1.52 -0.76 0.00 0.00 175.35 177.29 3hbb s TYR 225 N -1.76 -0.18 0.04 3.18 1.13 -0.03 -0.76 117.35 118.97 3hbb s TYR 225 Ca 0.54 -0.17 -0.27 0.00 -1.41 0.00 0.00 57.07 55.76 3hbb s TYR 225 Cb -0.17 0.49 0.07 0.00 -1.10 0.00 0.00 41.96 41.25 3hbb s TYR 225 CO 0.22 -0.99 0.64 1.52 -2.51 0.00 0.00 175.55 174.43 3hbb s TYR 226 N -3.87 -0.60 0.01 -3.49 -0.85 -0.83 0.03 117.35 107.75 3hbb s TYR 226 Ca 0.09 0.78 -0.01 0.00 -0.52 0.00 0.00 57.07 57.41 3hbb s TYR 226 Cb -0.02 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 3hbb s TYR 226 CO -0.01 -0.71 0.11 -0.06 -1.52 0.00 0.00 175.55 173.36 3hbb s PHE 227 N -2.26 3.36 -0.05 -3.49 0.08 -1.26 -1.34 117.98 113.02 3hbb s PHE 227 Ca -0.06 0.24 -0.09 0.00 0.12 0.00 0.00 56.93 57.14 3hbb s PHE 227 Cb -0.00 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.71 3hbb s PHE 227 CO 0.00 0.58 0.21 -1.83 -0.10 0.00 0.00 175.22 174.08 3hbb s GLU 228 N -1.89 0.39 -0.23 0.44 -1.05 -0.66 0.03 118.70 115.73 3hbb s GLU 228 Ca 0.25 0.01 -0.07 0.00 -0.15 0.00 0.00 54.97 55.02 3hbb s GLU 228 Cb -0.12 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 3hbb s GLU 228 CO 0.17 -0.08 0.05 0.21 0.95 0.00 0.00 175.26 176.56 3hbb s LYS 229 N -0.57 3.69 -0.13 -4.83 2.20 -0.51 -1.63 119.74 117.97 3hbb s LYS 229 Ca -0.07 -0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.07 3hbb s LYS 229 Cb -0.04 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3hbb s LYS 229 CO 0.01 -0.07 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.30 3hbb s LEU 230 N 1.27 2.78 0.12 5.43 1.43 0.59 -0.55 118.68 129.75 3hbb s LEU 230 Ca 0.04 -0.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3hbb s LEU 230 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3hbb s LEU 230 CO 0.03 0.18 -0.18 0.27 0.23 0.00 0.00 176.35 176.88 3hbb s ILE 231 N 0.26 1.58 0.17 -0.59 -4.36 -0.01 0.70 121.20 118.95 3hbb s ILE 231 Ca -0.08 -1.62 -0.26 0.00 -0.26 0.00 0.00 60.65 58.42 3hbb s ILE 231 Cb -0.15 -1.54 -0.08 0.00 1.25 0.00 0.00 42.46 41.93 3hbb s ILE 231 CO 0.05 -0.21 0.82 -2.16 0.24 0.00 0.00 174.94 173.68 3hbb s PRO 232 N -2.22 4.63 0.05 0.37 0.04 -1.26 -0.86 135.00 135.74 3hbb s PRO 232 Ca 0.08 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 3hbb s PRO 232 Cb -0.08 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 3hbb s PRO 232 CO 0.04 0.52 1.40 0.50 0.04 0.00 0.00 177.00 179.50 3hbb s ARG 233 N -1.02 4.30 -1.14 4.56 3.52 -0.20 -4.90 118.95 124.08 3hbb s ARG 233 Ca 0.37 2.01 -0.13 0.00 -0.13 0.00 0.00 55.73 57.85 3hbb s ARG 233 Cb -0.23 -3.45 0.19 0.00 -1.56 0.00 0.00 34.95 29.90 3hbb s ARG 233 CO 0.27 -0.51 1.30 1.21 -0.81 0.00 0.00 175.30 176.76 3hbb s ASN 234 N 1.58 7.06 0.37 -2.12 3.84 -1.26 -4.78 114.94 119.64 3hbb s ASN 234 Ca 0.64 -3.00 0.15 0.00 0.21 0.00 0.00 52.86 50.86 3hbb s ASN 234 Cb -0.34 -2.35 1.02 0.00 -0.55 0.00 0.00 41.25 39.03 3hbb s ASN 234 CO 0.28 -0.68 1.76 0.03 -2.79 0.00 0.00 177.10 175.71 3hbb h ARG 235 N 7.27 0.46 -0.06 0.43 2.47 -1.97 -2.01 114.38 120.97 3hbb h ARG 235 Ca 0.26 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.76 3hbb h ARG 235 Cb 0.90 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 29.13 3hbb h ARG 235 CO 1.16 0.30 -0.71 0.93 0.56 0.00 0.00 179.97 182.21 3hbb h GLU 236 N 0.47 0.58 -0.24 0.04 5.08 -1.90 -0.51 114.58 118.11 3hbb h GLU 236 Ca 0.61 -0.55 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3hbb h GLU 236 Cb 1.38 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 3hbb h GLU 236 CO -0.35 1.17 -0.29 1.49 -1.00 0.00 0.00 179.01 180.03 3hbb h GLU 237 N 0.19 0.47 -1.01 2.33 4.81 -1.89 -2.15 114.58 117.34 3hbb h GLU 237 Ca -0.07 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 3hbb h GLU 237 Cb 1.38 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.67 3hbb h GLU 237 CO 0.14 0.71 0.65 0.93 -0.73 0.00 0.00 179.01 180.72 3hbb h GLU 238 N 0.41 1.13 -0.68 1.92 5.08 -1.22 -0.13 114.58 121.08 3hbb h GLU 238 Ca 0.06 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3hbb h GLU 238 Cb 0.72 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3hbb h GLU 238 CO 0.05 0.75 0.18 0.37 -1.00 0.00 0.00 179.01 179.36 3hbb h GLN 239 N 1.16 1.08 0.40 2.33 4.15 -0.53 0.04 115.11 123.73 3hbb h GLN 239 Ca 0.44 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 3hbb h GLN 239 Cb 0.20 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3hbb h GLN 239 CO -0.18 0.94 -0.19 -0.92 -1.93 0.00 0.00 178.83 176.55 3hbb h TYR 240 N 1.03 -0.50 -0.97 3.99 3.20 -0.92 -2.98 116.97 119.82 3hbb h TYR 240 Ca 0.22 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.13 3hbb h TYR 240 Cb 0.34 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 3hbb h TYR 240 CO 0.03 -0.19 0.63 -0.07 -1.64 0.00 0.00 178.16 176.92 3hbb h LEU 241 N -0.80 1.02 -1.13 2.82 3.38 -0.87 -1.23 115.31 118.49 3hbb h LEU 241 Ca -0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hbb h LEU 241 Cb 0.53 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3hbb h LEU 241 CO 0.09 0.66 0.51 0.28 0.09 0.00 0.00 178.44 180.07 3hbb h SER 242 N 1.16 0.97 0.33 -0.43 0.02 -1.05 0.24 113.55 114.78 3hbb h SER 242 Ca 0.41 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 3hbb h SER 242 Cb 0.12 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3hbb h SER 242 CO -0.16 0.73 -0.16 0.25 -1.14 0.00 0.00 176.83 176.35 3hbb h LEU 243 N 1.12 -0.37 -0.41 5.07 5.85 -1.11 0.98 115.31 126.45 3hbb h LEU 243 Ca 0.30 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.03 3hbb h LEU 243 Cb -0.07 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 3hbb h LEU 243 CO -0.06 -0.15 -0.25 0.58 -0.34 0.00 0.00 178.44 178.22 3hbb h VAL 244 N -0.57 0.33 -0.47 1.05 2.07 -0.77 0.11 116.25 117.99 3hbb h VAL 244 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3hbb h VAL 244 Cb 0.42 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3hbb h VAL 244 CO 0.07 0.00 0.27 -0.78 0.02 0.00 0.00 177.57 177.15 3hbb h ASP 245 N -0.18 0.57 -0.33 0.57 3.58 -0.49 -1.72 116.42 118.42 3hbb h ASP 245 Ca 0.19 -0.03 -0.15 0.00 0.42 0.00 0.00 57.03 57.46 3hbb h ASP 245 Cb 0.48 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3hbb h ASP 245 CO -0.51 0.45 -0.34 -0.09 -2.88 0.00 0.00 179.24 175.87 3hbb h ARG 246 N 0.65 0.87 -0.05 0.28 2.43 0.76 -2.46 114.38 116.86 3hbb h ARG 246 Ca 0.17 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3hbb h ARG 246 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3hbb h ARG 246 CO -0.03 1.07 0.02 0.82 -1.51 0.00 0.00 179.97 180.34 3hbb h ILE 247 N 0.72 0.99 -0.60 1.20 2.04 -0.35 0.18 117.51 121.69 3hbb h ILE 247 Ca 0.07 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 3hbb h ILE 247 Cb 0.91 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3hbb h ILE 247 CO 0.08 0.01 0.35 0.40 0.00 0.00 0.00 178.15 179.00 3hbb h ILE 248 N 0.04 1.17 0.00 -0.67 2.04 -1.29 0.57 117.51 119.38 3hbb h ILE 248 Ca 0.02 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.30 3hbb h ILE 248 Cb 0.01 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3hbb h ILE 248 CO -0.03 0.18 -1.19 0.03 0.00 0.00 0.00 178.15 177.15 3hbb h ARG 249 N 0.83 0.00 0.00 2.37 3.08 -1.26 -3.41 114.38 116.00 3hbb h ARG 249 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3hbb h ARG 249 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hbb h ARG 249 CO -0.04 0.48 0.00 0.39 -1.07 0.00 0.00 179.97 179.73 3hbb n GLU 250 N -3.06 3.39 -2.11 0.04 1.02 0.63 -5.08 120.64 115.47 3hbb n GLU 250 Ca -0.07 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.69 3hbb n GLU 250 Cb 0.87 -0.35 0.02 0.00 -0.02 0.00 0.00 31.44 31.95 3hbb n GLU 250 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hbb s GLY 251 N -0.49 2.53 0.33 0.62 0.00 0.20 -4.97 107.32 105.53 3hbb s GLY 251 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 44.72 45.33 3hbb s GLY 251 CO 0.00 1.14 0.78 -1.31 0.00 0.00 0.00 173.10 173.71 3hbb s ASN 252 N -1.95 6.87 -0.18 1.64 0.01 0.31 -4.54 114.94 117.11 3hbb s ASN 252 Ca 0.72 1.40 -0.29 0.00 -0.71 0.00 0.00 52.86 53.98 3hbb s ASN 252 Cb -0.24 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 3hbb s ASN 252 CO 0.31 -0.20 1.34 -0.69 -1.51 0.00 0.00 177.10 176.35 3hbb s VAL 253 N -1.94 4.14 0.29 1.60 1.01 -1.26 -0.68 120.40 123.56 3hbb s VAL 253 Ca 0.54 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.90 3hbb s VAL 253 Cb -0.11 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3hbb s VAL 253 CO 0.17 -0.19 0.08 -0.54 0.00 0.00 0.00 175.10 174.62 3hbb s LYS 254 N 3.74 1.54 -0.03 2.72 -0.14 0.89 -4.97 119.74 123.50 3hbb s LYS 254 Ca 0.58 -1.85 -0.01 0.00 -1.36 0.00 0.00 55.97 53.34 3hbb s LYS 254 Cb -0.22 -0.58 0.03 0.00 -1.68 0.00 0.00 37.83 35.38 3hbb s LYS 254 CO 0.19 -0.24 0.05 -1.01 -0.76 0.00 0.00 175.35 173.57 3hbb s HIS 255 N -3.52 0.03 1.07 3.18 3.76 -1.26 -0.15 115.29 118.41 3hbb s HIS 255 Ca 0.37 0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 55.31 3hbb s HIS 255 Cb 0.08 -0.34 0.26 0.00 1.11 0.00 0.00 32.58 33.69 3hbb s HIS 255 CO 0.15 -0.14 1.04 -0.40 -0.85 0.00 0.00 174.74 174.54 3hbb n ASP 256 N 4.71 -1.55 -0.30 1.40 5.68 -0.82 -4.81 116.55 120.85 3hbb n ASP 256 Ca -0.16 -1.18 0.10 0.00 -0.50 0.00 0.00 54.79 53.05 3hbb n ASP 256 Cb 0.50 -0.92 0.27 0.00 -1.14 0.00 0.00 41.12 39.83 3hbb n ASP 256 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3hbb h ARG 257 N 0.00 0.50 -0.08 0.11 3.08 -2.02 0.17 114.38 116.14 3hbb h ARG 257 Ca -0.38 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.50 3hbb h ARG 257 Cb 1.13 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 3hbb h ARG 257 CO 0.25 0.33 -0.58 1.79 -1.07 0.00 0.00 179.97 180.69 3hbb h THR 258 N 0.51 1.38 0.00 2.04 1.35 -2.06 -3.47 112.91 112.66 3hbb h THR 258 Ca 0.51 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 3hbb h THR 258 Cb 0.86 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3hbb h THR 258 CO -0.45 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 3hbb n GLY 259 N 0.22 1.76 3.80 5.82 0.00 0.05 -5.12 105.19 111.71 3hbb n GLY 259 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 4.49 0.29 1.61 1.01 -1.26 -4.81 120.40 119.73 3hbb s VAL 260 Ca 0.00 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 3hbb s VAL 260 Cb 0.00 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3hbb s VAL 260 CO 0.00 0.41 1.10 -0.83 0.00 0.00 0.00 175.10 175.77 3hbb s GLY 261 N -1.33 3.05 0.02 4.51 0.00 -1.26 -1.94 107.32 110.37 3hbb s GLY 261 Ca 0.38 0.89 0.01 0.00 0.00 0.00 0.00 44.72 45.99 3hbb s GLY 261 CO 0.23 1.48 -0.04 -0.51 0.00 0.00 0.00 173.10 174.27 3hbb s THR 262 N -1.19 0.24 -0.16 0.90 -4.23 0.78 -0.64 115.64 111.34 3hbb s THR 262 Ca 0.45 -0.77 -0.12 0.00 -1.18 0.00 0.00 61.69 60.07 3hbb s THR 262 Cb -0.31 -0.33 -0.05 0.00 1.34 0.00 0.00 72.50 73.15 3hbb s THR 262 CO 0.40 -0.35 0.23 -0.76 -0.54 0.00 0.00 174.62 173.61 3hbb s LEU 263 N -1.18 4.26 0.03 4.79 1.43 -0.07 -0.07 118.68 127.87 3hbb s LEU 263 Ca -0.11 0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3hbb s LEU 263 Cb -0.08 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 3hbb s LEU 263 CO -0.00 0.17 0.04 -0.94 0.23 0.00 0.00 176.35 175.85 3hbb s SER 264 N 0.18 0.23 0.14 2.29 1.04 0.14 -0.76 113.70 116.95 3hbb s SER 264 Ca 0.14 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 56.06 3hbb s SER 264 Cb -0.12 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3hbb s SER 264 CO 0.03 -0.45 -0.13 0.27 0.98 0.00 0.00 173.24 173.93 3hbb s ILE 265 N -2.38 1.33 -0.21 -1.02 -5.25 0.29 -0.53 121.20 113.43 3hbb s ILE 265 Ca -0.07 -1.84 -0.03 0.00 -0.99 0.00 0.00 60.65 57.71 3hbb s ILE 265 Cb -0.03 -1.65 -0.01 0.00 2.95 0.00 0.00 42.46 43.73 3hbb s ILE 265 CO -0.04 -0.51 -0.06 0.12 -1.79 0.00 0.00 174.94 172.67 3hbb s PHE 266 N -2.48 2.94 0.00 1.37 5.36 -1.26 -1.21 117.98 122.70 3hbb s PHE 266 Ca 0.12 -0.95 0.00 0.00 -0.96 0.00 0.00 56.93 55.13 3hbb s PHE 266 Cb -0.03 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 3hbb s PHE 266 CO 0.03 -0.54 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 3hbb n GLY 267 N 4.70 -2.69 3.27 13.12 0.00 0.26 -5.02 105.19 118.84 3hbb n GLY 267 Ca -0.18 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.33 -0.05 4.61 0.00 -1.08 -5.01 121.76 119.91 3hbb s ALA 268 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 3hbb s ALA 268 Cb 0.00 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.77 3hbb s ALA 268 CO 0.00 -0.58 0.10 -1.14 0.00 0.00 0.00 175.76 174.14 3hbb s GLN 269 N -3.87 0.05 0.14 0.00 0.74 -1.26 -1.34 119.66 114.12 3hbb s GLN 269 Ca 0.07 0.28 0.10 0.00 0.05 0.00 0.00 55.36 55.86 3hbb s GLN 269 Cb 0.04 -0.18 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 3hbb s GLN 269 CO -0.08 -0.15 -0.22 -1.64 -0.55 0.00 0.00 175.29 172.64 3hbb s MET 270 N 1.01 1.30 0.01 1.67 -1.94 -0.39 -4.97 119.30 115.99 3hbb s MET 270 Ca -0.08 -1.33 0.05 0.00 -1.71 0.00 0.00 55.69 52.62 3hbb s MET 270 Cb -0.11 -1.59 -0.02 0.00 2.01 0.00 0.00 34.83 35.12 3hbb s MET 270 CO -0.04 0.36 -0.16 1.03 -0.01 0.00 0.00 175.02 176.20 3hbb s ARG 271 N -2.28 1.20 -0.00 2.03 0.52 -1.26 0.28 118.95 119.44 3hbb s ARG 271 Ca 0.13 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 3hbb s ARG 271 Cb -0.09 -1.20 -0.01 0.00 0.52 0.00 0.00 34.95 34.18 3hbb s ARG 271 CO 0.06 0.32 -0.08 -0.06 0.02 0.00 0.00 175.30 175.56 3hbb s PHE 272 N -0.57 0.73 -0.06 -0.53 0.40 -0.05 -4.90 117.98 113.00 3hbb s PHE 272 Ca 0.05 -0.16 -0.21 0.00 -0.60 0.00 0.00 56.93 56.02 3hbb s PHE 272 Cb -0.07 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.95 3hbb s PHE 272 CO 0.00 -0.01 0.59 0.45 0.70 0.00 0.00 175.22 176.95 3hbb s SER 273 N -0.28 6.89 0.00 1.36 0.15 -1.26 -0.30 113.70 120.27 3hbb s SER 273 Ca 0.02 1.07 0.17 0.00 0.70 0.00 0.00 55.95 57.91 3hbb s SER 273 Cb -0.04 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3hbb s SER 273 CO -0.00 0.00 0.84 0.18 1.20 0.00 0.00 173.24 175.46 3hbb n LEU 274 N 3.33 1.51 -4.61 3.45 4.32 0.71 -4.64 117.00 121.07 3hbb n LEU 274 Ca -0.05 -0.72 -0.54 0.00 -0.02 0.00 0.00 56.01 54.68 3hbb n LEU 274 Cb 0.51 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 3hbb n LEU 274 CO 0.45 0.30 0.96 0.54 -1.22 0.00 0.00 177.39 178.41 3hbb n ARG 275 N -0.32 1.01 -3.08 3.23 1.74 -1.14 -0.75 116.66 117.36 3hbb n ARG 275 Ca 0.06 0.37 -0.22 0.00 -0.77 0.00 0.00 57.85 57.29 3hbb n ARG 275 Cb 0.33 -2.00 0.04 0.00 -1.02 0.00 0.00 32.46 29.81 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 3.02 -5.97 -2.09 0.55 3.02 -1.26 -3.01 115.26 109.51 3hbb n ASN 276 Ca 0.20 -0.31 -0.17 0.00 -0.03 0.00 0.00 54.58 54.27 3hbb n ASN 276 Cb 0.16 -4.75 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 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 -2.38 -5.06 -4.69 6.41 4.13 0.07 -4.82 115.26 108.93 3hbb n ASN 277 Ca -0.09 -0.08 -0.42 0.00 1.68 0.00 0.00 54.58 55.67 3hbb n ASN 277 Cb 0.61 -4.08 -0.03 0.00 -1.54 0.00 0.00 39.78 34.73 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 -5.03 4.20 -0.35 3.52 3.52 -0.46 -0.95 118.95 123.40 3hbb s ARG 278 Ca 0.08 2.31 -0.09 0.00 -0.13 0.00 0.00 55.73 57.90 3hbb s ARG 278 Cb -0.03 -3.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 3hbb s ARG 278 CO 0.09 -0.72 0.15 -1.17 -0.81 0.00 0.00 175.30 172.84 3hbb s LEU 279 N 2.59 4.41 -1.13 -0.88 2.96 -0.19 -4.29 118.68 122.15 3hbb s LEU 279 Ca 0.73 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 3hbb s LEU 279 Cb -0.39 -1.95 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 3hbb s LEU 279 CO 0.32 -0.32 2.25 -0.81 -1.32 0.00 0.00 176.35 176.47 3hbb n PRO 280 N 4.92 2.40 -2.85 0.98 -0.04 -1.26 -3.42 135.00 135.73 3hbb n PRO 280 Ca -0.13 -1.96 -0.42 0.00 -0.04 0.00 0.00 63.50 60.95 3hbb n PRO 280 Cb 0.46 -2.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.05 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 0.87 4.04 0.33 1.53 1.43 -1.26 -4.51 118.68 121.11 3hbb s LEU 281 Ca 0.52 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 3hbb s LEU 281 Cb 0.14 -3.20 -0.12 0.00 0.03 0.00 0.00 46.19 43.04 3hbb s LEU 281 CO -0.01 -0.76 1.50 0.18 0.23 0.00 0.00 176.35 177.49 3hbb n LEU 282 N 6.54 4.37 -0.01 1.79 4.77 -1.26 -4.71 117.00 128.49 3hbb n LEU 282 Ca 0.06 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 57.11 3hbb n LEU 282 Cb 0.48 -1.58 -0.14 0.00 -2.33 0.00 0.00 43.42 39.85 3hbb n LEU 282 CO 0.55 0.04 -0.57 0.71 -1.33 0.00 0.00 177.39 176.79 3hbb h THR 283 N 3.05 0.82 0.00 -5.08 1.35 -1.90 -3.38 112.91 107.78 3hbb h THR 283 Ca -0.48 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 62.74 3hbb h THR 283 Cb 1.24 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 3hbb h THR 283 CO 0.70 0.60 0.00 0.35 -0.25 0.00 0.00 175.52 176.92 3hbb n THR 284 N -3.16 0.14 -3.58 6.82 -2.24 -1.26 -0.58 114.28 110.42 3hbb n THR 284 Ca -0.20 0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 3hbb n THR 284 Cb 1.05 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 3hbb n THR 284 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hbb s LYS 285 N -2.41 0.57 0.13 -0.78 2.20 -1.26 -4.72 119.74 113.48 3hbb s LYS 285 Ca 0.28 1.38 -0.34 0.00 -0.36 0.00 0.00 55.97 56.94 3hbb s LYS 285 Cb 0.17 0.82 -0.14 0.00 -1.51 0.00 0.00 37.83 37.17 3hbb s LYS 285 CO 0.36 -0.26 1.61 -2.13 -0.36 0.00 0.00 175.35 174.57 3hbb n ARG 286 N 5.45 2.16 -3.51 4.03 0.63 -1.26 -4.73 116.66 119.42 3hbb n ARG 286 Ca -0.10 0.78 -0.38 0.00 -0.92 0.00 0.00 57.85 57.23 3hbb n ARG 286 Cb 0.49 -2.56 -0.06 0.00 0.45 0.00 0.00 32.46 30.79 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 1.26 5.08 -1.28 5.15 1.01 -1.26 -5.00 120.40 125.35 3hbb s VAL 287 Ca 0.80 0.79 -0.18 0.00 0.00 0.00 0.00 61.98 63.40 3hbb s VAL 287 Cb -0.68 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.03 3hbb s VAL 287 CO 0.39 0.56 1.90 0.33 0.00 0.00 0.00 175.10 178.28 3hbb n PHE 288 N 2.04 3.89 -0.11 5.22 7.35 -1.26 -4.83 117.46 129.77 3hbb n PHE 288 Ca -0.14 -2.58 -0.05 0.00 -0.76 0.00 0.00 57.45 53.92 3hbb n PHE 288 Cb 0.52 -2.55 0.02 0.00 0.35 0.00 0.00 39.48 37.82 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 7.55 0.01 -0.62 -5.13 2.91 -1.99 -2.02 115.95 116.65 3hbb h TRP 289 Ca 0.44 0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.61 3hbb h TRP 289 Cb 0.81 0.05 -0.09 0.00 -0.51 0.00 0.00 29.16 29.42 3hbb h TRP 289 CO 1.39 -0.05 0.13 -0.09 -1.03 0.00 0.00 178.44 178.79 3hbb h ARG 290 N 0.12 0.25 -0.36 2.65 2.43 -2.00 0.48 114.38 117.95 3hbb h ARG 290 Ca 0.18 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3hbb h ARG 290 Cb 0.24 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hbb h ARG 290 CO -0.28 0.16 0.22 0.78 -1.51 0.00 0.00 179.97 179.34 3hbb h GLY 291 N 0.25 0.50 0.37 2.80 0.00 -1.79 -1.24 103.07 103.97 3hbb h GLY 291 Ca 0.33 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.58 3hbb h GLY 291 CO -0.42 0.16 0.21 -2.08 0.00 0.00 0.00 176.54 174.41 3hbb h VAL 292 N 0.45 0.76 0.34 4.60 2.07 -0.68 -1.66 116.25 122.13 3hbb h VAL 292 Ca 0.14 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3hbb h VAL 292 Cb -0.02 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3hbb h VAL 292 CO -0.05 0.07 -0.16 0.00 0.02 0.00 0.00 177.57 177.45 3hbb h GLU 294 N -0.87 0.78 -0.26 0.00 4.39 -1.20 -1.75 114.58 115.68 3hbb h GLU 294 Ca -0.05 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 3hbb h GLU 294 Cb 0.53 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3hbb h GLU 294 CO 0.08 0.52 -0.28 1.49 -1.16 0.00 0.00 179.01 179.66 3hbb h GLU 295 N 0.81 0.52 -0.10 2.33 4.81 -1.32 -2.10 114.58 119.53 3hbb h GLU 295 Ca 0.47 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 3hbb h GLU 295 Cb 0.55 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3hbb h GLU 295 CO -0.30 0.74 -0.41 1.25 -0.73 0.00 0.00 179.01 179.57 3hbb h LEU 296 N 0.45 0.53 -1.13 1.64 5.85 -0.89 0.20 115.31 121.96 3hbb h LEU 296 Ca 0.06 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 3hbb h LEU 296 Cb 0.71 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3hbb h LEU 296 CO 0.05 1.07 0.13 -0.07 -0.34 0.00 0.00 178.44 179.29 3hbb h LEU 297 N 0.01 0.69 -0.59 2.25 3.38 -1.45 0.30 115.31 119.90 3hbb h LEU 297 Ca -0.02 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hbb h LEU 297 Cb 1.05 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3hbb h LEU 297 CO 0.08 0.67 0.37 -0.25 0.09 0.00 0.00 178.44 179.41 3hbb h TRP 298 N 0.73 0.70 0.28 1.13 7.01 -1.25 -1.54 115.95 123.02 3hbb h TRP 298 Ca 0.17 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3hbb h TRP 298 Cb 0.25 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 3hbb h TRP 298 CO 0.01 0.42 -0.14 0.74 -2.79 0.00 0.00 178.44 176.69 3hbb h PHE 299 N 0.75 -0.35 -0.69 2.65 0.04 0.99 -2.48 116.94 117.85 3hbb h PHE 299 Ca 0.23 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.09 3hbb h PHE 299 Cb -0.03 0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 3hbb h PHE 299 CO -0.05 -0.17 0.46 -0.07 -0.60 0.00 0.00 178.31 177.87 3hbb h LEU 300 N -0.44 0.50 0.00 1.54 3.38 -0.31 0.34 115.31 120.32 3hbb h LEU 300 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hbb h LEU 300 Cb 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hbb h LEU 300 CO 0.06 0.30 0.00 0.54 0.09 0.00 0.00 178.44 179.43 3hbb n ARG 301 N -4.48 0.67 -1.22 1.13 1.74 -0.59 -4.90 116.66 109.00 3hbb n ARG 301 Ca 0.11 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3hbb n ARG 301 Cb 0.35 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 3hbb n ARG 301 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hbb n GLY 302 N 1.08 0.77 3.77 -0.13 0.00 0.11 -5.01 105.19 105.79 3hbb n GLY 302 Ca 0.18 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3hbb n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbb s GLU 303 N -2.58 3.44 -0.01 1.61 0.41 -0.94 -3.70 118.70 116.94 3hbb s GLU 303 Ca 0.00 1.63 0.01 0.00 -0.41 0.00 0.00 54.97 56.20 3hbb s GLU 303 Cb 0.00 -2.07 0.02 0.00 -1.78 0.00 0.00 34.13 30.29 3hbb s GLU 303 CO 0.00 -0.78 0.73 0.25 -0.49 0.00 0.00 175.26 174.97 3hbb n THR 304 N -1.15 0.24 -3.58 3.63 -2.24 -1.26 -4.35 114.28 105.56 3hbb n THR 304 Ca 0.11 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 3hbb n THR 304 Cb 0.51 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.38 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 -0.30 3.44 0.58 4.78 5.04 -1.26 -1.08 117.35 128.55 3hbb s TYR 305 Ca 0.02 -1.91 0.41 0.00 -2.44 0.00 0.00 57.07 53.15 3hbb s TYR 305 Cb 0.02 -3.42 2.18 0.00 0.35 0.00 0.00 41.96 41.09 3hbb s TYR 305 CO 0.00 -0.98 2.30 0.00 -1.34 0.00 0.00 175.55 175.53 3hbb h ALA 306 N 8.40 1.08 0.00 3.97 0.00 -1.05 -1.67 119.26 130.00 3hbb h ALA 306 Ca -0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hbb h ALA 306 Cb 1.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hbb h ALA 306 CO 0.83 0.01 -0.15 -0.22 0.00 0.00 0.00 179.25 179.72 3hbb h LYS 307 N 0.00 0.00 0.00 0.00 3.64 -1.90 0.25 116.57 118.55 3hbb h LYS 307 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hbb h LYS 307 Cb 0.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3hbb h LYS 307 CO 0.00 0.15 -0.02 0.87 -2.27 0.00 0.00 179.45 178.18 3hbb h LYS 308 N 0.00 0.00 0.09 1.90 1.57 -1.69 -1.60 116.57 116.84 3hbb h LYS 308 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3hbb h LYS 308 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3hbb h LYS 308 CO 0.02 0.02 -2.08 -0.11 -0.57 0.00 0.00 179.45 176.73 3hbb n LEU 309 N -4.24 2.67 0.22 2.94 7.94 -0.04 -3.97 117.00 122.53 3hbb n LEU 309 Ca -0.03 0.14 0.11 0.00 -1.11 0.00 0.00 56.01 55.12 3hbb n LEU 309 Cb 0.11 -1.06 0.35 0.00 0.53 0.00 0.00 43.42 43.35 3hbb n LEU 309 CO 0.32 0.85 0.80 0.77 -1.11 0.00 0.00 177.39 179.01 3hbb h SER 310 N -0.01 0.00 0.77 1.96 4.64 -1.02 -1.73 113.55 118.16 3hbb h SER 310 Ca -0.46 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 3hbb h SER 310 Cb 1.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.04 3hbb h SER 310 CO 0.03 0.15 -0.45 0.44 -0.87 0.00 0.00 176.83 176.12 3hbb h ASP 311 N 0.00 0.00 -0.24 4.97 3.32 -1.46 -2.68 116.42 120.33 3hbb h ASP 311 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3hbb h ASP 311 Cb 0.88 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3hbb h ASP 311 CO 0.02 0.45 0.03 0.29 -1.72 0.00 0.00 179.24 178.31 3hbb n LYS 312 N -3.62 2.42 -2.41 3.56 5.02 -0.97 -4.87 118.16 117.28 3hbb n LYS 312 Ca -0.01 -1.22 -0.15 0.00 -2.02 0.00 0.00 58.31 54.91 3hbb n LYS 312 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.20 -0.23 2.98 0.72 0.00 -1.01 -4.99 105.19 102.87 3hbb n GLY 313 Ca 0.12 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.81 2.01 -0.26 1.61 1.01 -0.69 -5.01 120.40 116.26 3hbb s VAL 314 Ca 0.05 -2.01 0.13 0.00 0.00 0.00 0.00 61.98 60.16 3hbb s VAL 314 Cb -0.02 -2.41 0.72 0.00 0.00 0.00 0.00 36.38 34.67 3hbb s VAL 314 CO 0.07 -0.47 1.69 1.41 0.00 0.00 0.00 175.10 177.79 3hbb n HIS 315 N 4.40 1.92 0.25 5.22 8.25 -1.26 -2.69 115.22 131.31 3hbb n HIS 315 Ca -0.01 -0.97 0.07 0.00 -0.26 0.00 0.00 57.72 56.55 3hbb n HIS 315 Cb 0.42 -0.53 0.60 0.00 1.12 0.00 0.00 29.99 31.59 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 2.91 1.02 -0.33 1.59 3.07 -1.95 -2.69 117.51 121.14 3hbb h ILE 316 Ca 0.10 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.21 3hbb h ILE 316 Cb 1.98 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 3hbb h ILE 316 CO 0.52 0.08 0.00 0.79 -1.05 0.00 0.00 178.15 178.49 3hbb n TRP 317 N -4.37 0.42 0.25 0.16 7.02 -1.26 -4.66 117.44 115.01 3hbb n TRP 317 Ca -0.03 -0.21 -0.16 0.00 -1.02 0.00 0.00 57.50 56.08 3hbb n TRP 317 Cb 0.16 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.97 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 3.60 -0.60 -0.69 -0.99 5.19 -1.83 -1.86 116.42 119.24 3hbb h ASP 318 Ca 0.00 0.03 0.07 0.00 -0.62 0.00 0.00 57.03 56.51 3hbb h ASP 318 Cb 0.79 0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.42 3hbb h ASP 318 CO 0.00 -0.40 0.37 0.44 -3.12 0.00 0.00 179.24 176.53 3hbb h ASP 319 N -0.64 0.53 0.63 6.45 3.32 -1.83 -2.26 116.42 122.63 3hbb h ASP 319 Ca -0.05 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hbb h ASP 319 Cb 0.51 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hbb h ASP 319 CO 0.07 0.33 0.00 0.59 -1.72 0.00 0.00 179.24 178.51 3hbb n ASN 320 N -4.81 0.00 -0.00 6.45 3.02 -1.02 -3.33 115.26 115.58 3hbb n ASN 320 Ca 0.09 0.46 0.06 0.00 -0.03 0.00 0.00 54.58 55.16 3hbb n ASN 320 Cb 0.21 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.82 3hbb n ASN 320 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbb n GLY 321 N 0.47 -0.26 3.72 7.41 0.00 -0.73 -4.66 105.19 111.14 3hbb n GLY 321 Ca 0.05 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.32 3.97 0.21 1.61 1.04 -1.10 -0.14 113.70 116.97 3hbb s SER 322 Ca 0.04 2.20 -0.10 0.00 0.48 0.00 0.00 55.95 58.58 3hbb s SER 322 Cb 0.10 -2.57 0.27 0.00 0.10 0.00 0.00 66.02 63.92 3hbb s SER 322 CO 0.54 -2.41 1.73 -0.09 0.98 0.00 0.00 173.24 173.99 3hbb h ARG 323 N -0.82 0.33 -0.08 4.02 9.65 -1.94 -1.27 114.38 124.27 3hbb h ARG 323 Ca -0.46 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.42 3hbb h ARG 323 Cb 1.27 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 3hbb h ARG 323 CO 0.48 0.22 -0.04 0.00 2.80 0.00 0.00 179.97 183.43 3hbb h ALA 324 N 1.43 0.03 -0.35 2.80 0.00 -1.95 -2.37 119.26 118.86 3hbb h ALA 324 Ca 0.30 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3hbb h ALA 324 Cb 0.40 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hbb h ALA 324 CO -0.33 -0.51 -0.17 0.35 0.00 0.00 0.00 179.25 178.58 3hbb h PHE 325 N -0.04 0.85 -0.51 0.00 3.04 -1.73 -2.49 116.94 116.06 3hbb h PHE 325 Ca 0.05 -0.21 -0.06 0.00 3.98 0.00 0.00 57.97 61.73 3hbb h PHE 325 Cb 0.11 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 3hbb h PHE 325 CO -0.16 0.94 0.09 -0.07 -2.02 0.00 0.00 178.31 177.09 3hbb h LEU 326 N 0.52 0.75 -0.82 0.59 3.38 -1.25 -2.06 115.31 116.42 3hbb h LEU 326 Ca 0.08 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3hbb h LEU 326 Cb 0.71 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3hbb h LEU 326 CO 0.05 0.76 0.24 0.44 0.09 0.00 0.00 178.44 180.02 3hbb h ASP 327 N 0.76 1.04 -0.22 -0.43 3.32 -1.33 0.17 116.42 119.74 3hbb h ASP 327 Ca 0.16 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 3hbb h ASP 327 Cb 0.33 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3hbb h ASP 327 CO 0.00 0.96 -0.18 0.77 -1.72 0.00 0.00 179.24 179.07 3hbb h SER 328 N 1.07 0.65 0.00 6.45 4.64 -0.97 -1.32 113.55 124.08 3hbb h SER 328 Ca 0.24 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hbb h SER 328 Cb 0.28 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hbb h SER 328 CO -0.01 0.84 0.00 0.54 -0.87 0.00 0.00 176.83 177.33 3hbb n ARG 329 N -4.14 0.84 -0.77 4.77 5.12 -0.82 -4.86 116.66 116.79 3hbb n ARG 329 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3hbb n ARG 329 Cb 0.39 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 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 0.56 0.81 2.62 -0.13 0.00 -0.50 -4.97 105.19 103.59 3hbb n GLY 330 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hbb n GLY 330 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbb n LEU 331 N 0.00 7.54 0.14 0.99 4.77 0.58 -4.74 117.00 126.28 3hbb n LEU 331 Ca 0.00 -4.80 0.12 0.00 -0.03 0.00 0.00 56.01 51.31 3hbb n LEU 331 Cb 0.00 -1.41 0.52 0.00 -2.33 0.00 0.00 43.42 40.20 3hbb n LEU 331 CO 0.00 1.81 0.86 0.71 -1.33 0.00 0.00 177.39 179.44 3hbb h THR 332 N 3.04 0.00 0.01 -5.08 1.35 -1.86 -3.13 112.91 107.24 3hbb h THR 332 Ca 0.59 -0.23 -0.29 0.00 -0.55 0.00 0.00 66.41 65.93 3hbb h THR 332 Cb 0.43 0.96 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 3hbb h THR 332 CO 1.54 0.00 -1.67 -0.33 -0.25 0.00 0.00 175.52 174.81 3hbb h GLU 333 N 0.00 0.03 -6.83 4.72 4.39 -1.94 -3.47 114.58 111.48 3hbb h GLU 333 Ca 0.00 -0.05 -0.52 0.00 0.34 0.00 0.00 59.36 59.13 3hbb h GLU 333 Cb 0.34 0.02 0.06 0.00 -0.10 0.00 0.00 28.75 29.06 3hbb h GLU 333 CO 0.00 0.60 0.64 0.71 -1.16 0.00 0.00 179.01 179.80 3hbb s TYR 334 N -2.60 3.11 0.76 4.33 2.02 -1.18 -5.02 117.35 118.76 3hbb s TYR 334 Ca -0.06 1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 57.90 3hbb s TYR 334 Cb 0.08 -3.65 0.04 0.00 -0.40 0.00 0.00 41.96 38.03 3hbb s TYR 334 CO 0.82 -1.84 1.10 -1.83 -1.57 0.00 0.00 175.55 172.23 3hbb s GLU 335 N -1.40 2.44 0.21 -0.62 -1.05 -1.26 -4.92 118.70 112.09 3hbb s GLU 335 Ca 0.51 0.53 -0.32 0.00 -0.15 0.00 0.00 54.97 55.54 3hbb s GLU 335 Cb -0.39 -1.97 -0.13 0.00 -0.44 0.00 0.00 34.13 31.20 3hbb s GLU 335 CO 0.49 -1.35 1.53 -1.91 0.95 0.00 0.00 175.26 174.98 3hbb n GLU 336 N -3.23 2.23 -0.21 -4.83 2.13 -1.26 -1.42 120.64 114.04 3hbb n GLU 336 Ca 0.07 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3hbb n GLU 336 Cb 0.57 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.74 3hbb n GLU 336 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3hbb n MET 337 N 2.84 0.00 -2.54 5.31 2.81 0.81 -4.89 117.12 121.46 3hbb n MET 337 Ca 0.14 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.60 3hbb n MET 337 Cb 0.31 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.33 3hbb n MET 337 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hbb s ASP 338 N -3.50 6.49 0.00 7.83 -1.08 -0.51 -0.32 116.67 125.58 3hbb s ASP 338 Ca 0.00 0.39 0.25 0.00 -0.52 0.00 0.00 52.55 52.67 3hbb s ASP 338 Cb 0.00 -2.55 0.92 0.00 -1.46 0.00 0.00 42.92 39.83 3hbb s ASP 338 CO 0.00 -1.39 1.66 0.18 0.52 0.00 0.00 175.17 176.13 3hbb n LEU 339 N 8.33 1.59 0.00 -1.34 4.77 -0.24 -4.75 117.00 125.36 3hbb n LEU 339 Ca 0.12 -0.59 0.02 0.00 -0.03 0.00 0.00 56.01 55.52 3hbb n LEU 339 Cb 0.49 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3hbb n LEU 339 CO 0.72 0.30 -0.03 0.61 -1.33 0.00 0.00 177.39 177.65 3hbb n GLY 340 N 1.16 -2.15 2.50 -0.72 0.00 -1.26 -1.06 105.19 103.65 3hbb n GLY 340 Ca 0.18 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.17 1.04 -2.38 1.61 -0.04 -1.26 -4.81 135.00 128.00 3hbb n PRO 341 Ca 0.00 -0.71 -0.27 0.00 -0.04 0.00 0.00 63.50 62.48 3hbb n PRO 341 Cb 0.07 -1.96 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 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 2.97 3.58 0.00 0.52 -7.23 -1.26 -4.32 120.40 114.66 3hbb s VAL 342 Ca 0.26 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 3hbb s VAL 342 Cb 0.10 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.61 3hbb s VAL 342 CO -0.01 -0.44 0.00 -1.22 -0.31 0.00 0.00 175.10 173.12 3hbb n TYR 343 N -2.61 0.00 -0.25 2.82 4.01 -1.26 -0.18 117.16 119.70 3hbb n TYR 343 Ca 0.05 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.92 3hbb n TYR 343 Cb 0.58 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 40.01 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 1.10 0.97 2.72 0.00 -1.79 -0.98 103.07 105.09 3hbb h GLY 344 Ca 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.07 3hbb h GLY 344 CO 0.00 0.08 0.45 -2.75 0.00 0.00 0.00 176.54 174.31 3hbb h PHE 345 N 0.63 0.84 -0.31 5.60 3.04 -0.64 -1.56 116.94 124.53 3hbb h PHE 345 Ca 0.44 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 62.25 3hbb h PHE 345 Cb 0.77 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 3hbb h PHE 345 CO -0.00 0.52 -0.43 1.96 -2.02 0.00 0.00 178.31 178.34 3hbb h GLN 346 N 0.90 0.77 -0.62 1.11 1.08 -1.28 0.53 115.11 117.61 3hbb h GLN 346 Ca 0.26 -0.42 0.05 0.00 -1.45 0.00 0.00 58.65 57.09 3hbb h GLN 346 Cb -0.07 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 3hbb h GLN 346 CO -0.07 1.05 0.34 -1.49 -0.95 0.00 0.00 178.83 177.70 3hbb h TRP 347 N 0.62 0.62 0.00 2.96 4.06 -0.97 -1.70 115.95 121.54 3hbb h TRP 347 Ca 0.04 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3hbb h TRP 347 Cb 0.99 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 3hbb h TRP 347 CO 0.05 0.30 -1.61 0.54 -3.56 0.00 0.00 178.44 174.16 3hbb n ARG 348 N -4.81 0.68 -2.72 0.49 5.12 -0.62 -1.43 116.66 113.35 3hbb n ARG 348 Ca 0.07 -0.13 -0.06 0.00 -1.93 0.00 0.00 57.85 55.81 3hbb n ARG 348 Cb 0.16 -1.42 0.05 0.00 -1.16 0.00 0.00 32.46 30.08 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 -1.98 0.88 -1.69 -1.55 8.25 0.19 -3.45 115.22 115.87 3hbb n HIS 349 Ca -0.02 -2.48 -0.52 0.00 -0.26 0.00 0.00 57.72 54.44 3hbb n HIS 349 Cb 0.44 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.33 2.21 -0.13 4.41 -0.00 -0.12 -1.71 117.46 121.80 3hbb n PHE 350 Ca 0.07 0.21 0.00 0.00 -0.00 0.00 0.00 57.45 57.73 3hbb n PHE 350 Cb 0.82 -2.58 0.00 0.00 -0.00 0.00 0.00 39.48 37.72 3hbb n PHE 350 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hbb n GLY 351 N 4.26 1.06 3.75 7.13 0.00 -1.26 -1.08 105.19 119.05 3hbb n GLY 351 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3hbb n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbb s ALA 352 N -2.54 3.61 0.26 4.61 0.00 -0.70 -4.86 121.76 122.16 3hbb s ALA 352 Ca 0.00 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 3hbb s ALA 352 Cb 0.00 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3hbb s ALA 352 CO 0.00 -0.74 1.62 0.00 0.00 0.00 0.00 175.76 176.63 3hbb s ALA 353 N -0.13 3.79 0.02 0.00 0.00 -1.26 -4.98 121.76 119.19 3hbb s ALA 353 Ca 0.58 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3hbb s ALA 353 Cb -0.42 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.01 3hbb s ALA 353 CO 0.45 -0.95 0.08 -0.47 0.00 0.00 0.00 175.76 174.87 3hbb s TYR 354 N 0.33 3.27 0.01 0.00 5.04 -1.26 -5.01 117.35 119.73 3hbb s TYR 354 Ca 0.66 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.47 3hbb s TYR 354 Cb -0.48 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.12 3hbb s TYR 354 CO 0.43 0.54 0.00 0.25 -1.34 0.00 0.00 175.55 175.43 3hbb n THR 355 N 1.00 0.02 -4.01 4.34 -2.24 -1.26 -5.10 114.28 107.03 3hbb n THR 355 Ca -0.12 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 3hbb n THR 355 Cb 0.52 -0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 68.15 3hbb n THR 355 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3hbb s HIS 356 N -1.03 0.45 0.34 4.78 3.76 -1.26 -4.91 115.29 117.42 3hbb s HIS 356 Ca 0.00 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 54.02 3hbb s HIS 356 Cb 0.00 -0.26 0.59 0.00 1.11 0.00 0.00 32.58 34.03 3hbb s HIS 356 CO 0.00 -0.51 1.98 1.12 -0.85 0.00 0.00 174.74 176.48 3hbb h HIS 357 N 2.88 0.80 -0.00 1.40 2.07 -1.97 -2.62 115.15 117.70 3hbb h HIS 357 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 3hbb h HIS 357 Cb 1.18 -0.26 0.00 0.00 2.57 0.00 0.00 27.41 30.90 3hbb h HIS 357 CO 0.46 0.54 -0.01 -0.40 -3.07 0.00 0.00 177.93 175.45 3hbb n ASP 358 N -4.41 0.36 -4.82 3.10 5.75 -1.26 -4.89 116.55 110.39 3hbb n ASP 358 Ca 0.06 -1.00 -0.33 0.00 -0.01 0.00 0.00 54.79 53.51 3hbb n ASP 358 Cb 0.08 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 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 -2.09 2.97 -0.09 2.12 0.00 -0.99 -5.02 121.76 118.66 3hbb s ALA 359 Ca 0.42 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 3hbb s ALA 359 Cb 0.21 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3hbb s ALA 359 CO 0.38 -0.25 1.01 1.21 0.00 0.00 0.00 175.76 178.10 3hbb s ASN 360 N -2.60 7.26 -0.03 0.00 3.84 -1.26 -4.94 114.94 117.21 3hbb s ASN 360 Ca 0.62 1.56 0.04 0.00 0.21 0.00 0.00 52.86 55.29 3hbb s ASN 360 Cb -0.12 -2.56 0.06 0.00 -0.55 0.00 0.00 41.25 38.09 3hbb s ASN 360 CO 0.26 -0.42 1.01 -1.22 -2.79 0.00 0.00 177.10 173.93 3hbb n TYR 361 N 4.82 0.00 -1.65 0.43 4.01 -1.26 -5.02 117.16 118.48 3hbb n TYR 361 Ca 0.08 -0.57 -0.46 0.00 -0.16 0.00 0.00 57.90 56.79 3hbb n TYR 361 Cb 0.49 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.42 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 -0.67 2.58 0.00 7.72 8.00 -1.26 -1.64 116.55 131.28 3hbb n ASP 362 Ca 0.03 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.66 3hbb n ASP 362 Cb 0.35 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 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 2.38 2.63 3.78 0.44 0.00 -1.26 -4.98 105.19 108.19 3hbb n GLY 363 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3hbb n GLY 363 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbb s GLN 364 N 0.00 4.56 2.45 1.61 -0.21 -0.65 -4.89 119.66 122.52 3hbb s GLN 364 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 55.36 56.67 3hbb s GLN 364 Cb 0.00 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.20 3hbb s GLN 364 CO 0.00 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 3hbb n GLY 365 N 0.59 -0.76 3.37 3.09 0.00 -1.26 -4.51 105.19 105.70 3hbb n GLY 365 Ca 0.02 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 3.13 -1.21 1.61 1.01 -0.24 -4.78 120.40 119.91 3hbb s VAL 366 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 3hbb s VAL 366 Cb 0.00 -2.33 0.16 0.00 0.00 0.00 0.00 36.38 34.21 3hbb s VAL 366 CO 0.00 0.51 1.45 -0.62 0.00 0.00 0.00 175.10 176.44 3hbb s ASP 367 N 0.52 7.06 0.23 3.32 -1.08 -1.22 -0.94 116.67 124.55 3hbb s ASP 367 Ca -0.08 -2.96 -0.06 0.00 -0.52 0.00 0.00 52.55 48.93 3hbb s ASP 367 Cb -0.15 -2.41 0.36 0.00 -1.46 0.00 0.00 42.92 39.26 3hbb s ASP 367 CO 0.04 -0.77 1.78 1.56 0.52 0.00 0.00 175.17 178.30 3hbb h GLN 368 N 7.18 0.63 -0.28 4.34 4.20 -1.49 -2.04 115.11 127.64 3hbb h GLN 368 Ca 0.32 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 3hbb h GLN 368 Cb 0.87 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3hbb h GLN 368 CO 1.26 0.42 0.11 0.82 -0.67 0.00 0.00 178.83 180.77 3hbb h ILE 369 N 0.65 1.18 -0.79 2.54 1.08 -1.87 -1.63 117.51 118.66 3hbb h ILE 369 Ca 0.37 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3hbb h ILE 369 Cb 0.38 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3hbb h ILE 369 CO -0.27 0.18 0.46 0.50 -0.69 0.00 0.00 178.15 178.34 3hbb h LYS 370 N 0.30 1.08 -0.32 2.37 3.64 -1.76 -0.73 116.57 121.15 3hbb h LYS 370 Ca 0.09 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3hbb h LYS 370 Cb 0.18 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3hbb h LYS 370 CO -0.01 0.77 -0.15 0.00 -2.27 0.00 0.00 179.45 177.79 3hbb h ALA 371 N 1.41 0.46 -0.30 5.00 0.00 -1.25 -2.16 119.26 122.42 3hbb h ALA 371 Ca 0.28 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hbb h ALA 371 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hbb h ALA 371 CO -0.05 0.35 0.18 0.82 0.00 0.00 0.00 179.25 180.55 3hbb h ILE 372 N 0.44 1.10 -0.54 0.00 2.04 -0.82 -0.65 117.51 119.08 3hbb h ILE 372 Ca 0.07 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3hbb h ILE 372 Cb 0.67 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3hbb h ILE 372 CO 0.05 0.10 0.26 0.58 0.00 0.00 0.00 178.15 179.13 3hbb h VAL 373 N 0.38 0.91 -0.28 1.67 2.07 -1.13 -1.45 116.25 118.42 3hbb h VAL 373 Ca 0.11 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3hbb h VAL 373 Cb 0.00 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3hbb h VAL 373 CO -0.02 0.09 0.15 -0.08 0.02 0.00 0.00 177.57 177.73 3hbb h GLU 374 N 0.49 0.31 -0.28 1.57 4.57 -0.99 -2.65 114.58 117.61 3hbb h GLU 374 Ca 0.25 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 3hbb h GLU 374 Cb 0.19 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3hbb h GLU 374 CO -0.19 0.21 0.02 1.15 -1.18 0.00 0.00 179.01 179.01 3hbb h THR 375 N 0.32 1.25 -0.70 0.32 2.02 -0.77 -2.81 112.91 112.54 3hbb h THR 375 Ca 0.11 -0.88 0.12 0.00 0.77 0.00 0.00 66.41 66.53 3hbb h THR 375 Cb 0.01 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 3hbb h THR 375 CO -0.06 0.28 0.29 -0.07 0.37 0.00 0.00 175.52 176.32 3hbb h LEU 376 N 0.27 0.30 -1.22 2.58 3.38 -1.20 0.82 115.31 120.25 3hbb h LEU 376 Ca 0.08 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3hbb h LEU 376 Cb 0.39 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3hbb h LEU 376 CO 0.01 0.15 0.04 0.11 0.09 0.00 0.00 178.44 178.84 3hbb h LYS 377 N 0.46 0.58 0.00 1.13 1.57 -1.35 -3.36 116.57 115.60 3hbb h LYS 377 Ca 0.37 -0.12 -0.27 0.00 -1.87 0.00 0.00 60.65 58.76 3hbb h LYS 377 Cb 0.49 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 3hbb h LYS 377 CO -0.35 0.57 -2.03 0.25 -0.57 0.00 0.00 179.45 177.33 3hbb n THR 378 N -4.29 1.04 -3.35 -0.16 -2.24 -0.52 -4.91 114.28 99.84 3hbb n THR 378 Ca 0.02 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 3hbb n THR 378 Cb 0.23 -1.11 -0.09 0.00 -2.10 0.00 0.00 70.33 67.25 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 -5.70 1.57 0.00 3.42 3.04 0.27 -5.01 114.94 112.53 3hbb s ASN 379 Ca -0.23 -2.35 0.29 0.00 0.04 0.00 0.00 52.86 50.60 3hbb s ASN 379 Cb 0.06 0.01 1.26 0.00 -1.54 0.00 0.00 41.25 41.04 3hbb s ASN 379 CO 0.43 -0.22 1.88 -0.81 -3.04 0.00 0.00 177.10 175.34 3hbb n PRO 380 N 3.53 0.56 -0.12 0.43 -0.05 -1.25 -2.83 135.00 135.28 3hbb n PRO 380 Ca 0.19 -0.16 0.08 0.00 -0.05 0.00 0.00 63.50 63.56 3hbb n PRO 380 Cb 0.45 -1.50 0.26 0.00 -0.05 0.00 0.00 33.50 32.66 3hbb n PRO 380 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3hbb n ASP 381 N -1.08 1.58 -4.76 3.54 8.00 -1.26 -4.01 116.55 118.57 3hbb n ASP 381 Ca 0.14 -1.85 -0.35 0.00 0.71 0.00 0.00 54.79 53.43 3hbb n ASP 381 Cb 0.27 -0.16 0.03 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.26 5.26 -0.15 -2.24 2.15 -1.13 -4.96 116.67 114.33 3hbb s ASP 382 Ca 0.26 2.32 0.17 0.00 0.43 0.00 0.00 52.55 55.73 3hbb s ASP 382 Cb 0.14 -2.59 0.32 0.00 -0.30 0.00 0.00 42.92 40.49 3hbb s ASP 382 CO 0.20 -1.54 1.17 0.54 -0.17 0.00 0.00 175.17 175.36 3hbb n ARG 383 N -1.62 1.36 -0.26 4.34 1.74 -1.26 -4.57 116.66 116.38 3hbb n ARG 383 Ca 0.13 -2.77 0.06 0.00 -0.77 0.00 0.00 57.85 54.51 3hbb n ARG 383 Cb 0.50 -1.53 0.09 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.35 0.85 -2.09 5.56 1.74 -1.26 -4.93 116.66 115.18 3hbb n ARG 384 Ca 0.17 -2.08 -0.42 0.00 -0.77 0.00 0.00 57.85 54.75 3hbb n ARG 384 Cb 0.65 -1.15 -0.00 0.00 -1.02 0.00 0.00 32.46 30.94 3hbb n ARG 384 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3hbb n MET 385 N -0.92 3.78 -4.01 5.56 2.81 -1.26 -4.92 117.12 118.15 3hbb n MET 385 Ca 0.11 -3.29 -0.13 0.00 -1.81 0.00 0.00 57.70 52.58 3hbb n MET 385 Cb 0.67 -2.89 -0.14 0.00 -0.71 0.00 0.00 33.22 30.16 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 -0.34 2.05 -0.03 4.03 0.05 -1.26 -1.21 118.68 121.97 3hbb s LEU 386 Ca 0.47 -0.14 0.07 0.00 0.05 0.00 0.00 54.13 54.58 3hbb s LEU 386 Cb 0.13 -0.11 -0.02 0.00 -2.05 0.00 0.00 46.19 44.14 3hbb s LEU 386 CO -0.04 -0.02 -0.25 0.72 -0.55 0.00 0.00 176.35 176.21 3hbb s PHE 387 N -0.32 2.39 0.10 3.48 -0.71 -0.51 -4.97 117.98 117.43 3hbb s PHE 387 Ca -0.02 -0.52 0.10 0.00 -1.04 0.00 0.00 56.93 55.45 3hbb s PHE 387 Cb -0.03 -1.54 -0.04 0.00 -1.21 0.00 0.00 43.02 40.20 3hbb s PHE 387 CO -0.00 -0.09 -0.26 -0.08 -1.34 0.00 0.00 175.22 173.45 3hbb s THR 388 N -0.46 2.29 -0.54 -4.49 -1.32 -1.26 -1.80 115.64 108.06 3hbb s THR 388 Ca 0.05 -1.59 0.12 0.00 -1.21 0.00 0.00 61.69 59.06 3hbb s THR 388 Cb -0.11 -1.98 -0.13 0.00 -1.51 0.00 0.00 72.50 68.77 3hbb s THR 388 CO 0.01 0.20 0.50 0.00 -2.21 0.00 0.00 174.62 173.11 3hbb n ALA 389 N 1.22 3.51 -2.34 11.08 0.00 -0.73 -4.47 120.51 128.78 3hbb n ALA 389 Ca -0.17 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.57 3hbb n ALA 389 Cb 0.53 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 3hbb n ALA 389 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3hbb s TRP 390 N -2.16 2.15 -0.45 0.00 -0.11 -1.24 -4.80 118.94 112.34 3hbb s TRP 390 Ca 0.04 -0.04 -0.03 0.00 1.22 0.00 0.00 56.10 57.30 3hbb s TRP 390 Cb 0.09 -4.41 0.12 0.00 -1.50 0.00 0.00 33.47 27.77 3hbb s TRP 390 CO 0.49 -1.97 0.24 1.21 -4.62 0.00 0.00 176.95 172.31 3hbb s ASN 391 N 6.05 5.23 0.46 5.86 3.84 -1.26 -4.99 114.94 130.12 3hbb s ASN 391 Ca 0.54 -2.19 0.24 0.00 0.21 0.00 0.00 52.86 51.65 3hbb s ASN 391 Cb -0.05 -1.83 1.24 0.00 -0.55 0.00 0.00 41.25 40.07 3hbb s ASN 391 CO 0.02 -0.51 1.83 -0.65 -2.79 0.00 0.00 177.10 175.01 3hbb h PRO 392 N 7.84 0.25 -0.13 0.43 0.11 -2.00 0.24 132.00 138.73 3hbb h PRO 392 Ca -0.11 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 3hbb h PRO 392 Cb 1.03 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3hbb h PRO 392 CO 0.70 0.16 -0.10 0.77 -0.21 0.00 0.00 178.00 179.32 3hbb h SER 393 N 0.25 0.31 1.61 -2.05 0.02 -2.01 -3.31 113.55 108.38 3hbb h SER 393 Ca 0.51 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3hbb h SER 393 Cb 1.54 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 3hbb h SER 393 CO -0.15 0.70 -0.13 0.00 -1.14 0.00 0.00 176.83 176.10 3hbb h ALA 394 N 0.63 0.93 -0.69 3.77 0.00 -1.52 -3.39 119.26 118.99 3hbb h ALA 394 Ca 0.03 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3hbb h ALA 394 Cb 0.59 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 3hbb h ALA 394 CO 0.03 0.17 -0.44 -0.07 0.00 0.00 0.00 179.25 178.93 3hbb h LEU 395 N 0.00 -1.54 -1.30 0.00 4.07 -0.69 -1.17 115.31 114.67 3hbb h LEU 395 Ca -0.00 0.26 0.00 0.00 0.08 0.00 0.00 57.88 58.22 3hbb h LEU 395 Cb 0.97 0.72 0.00 0.00 1.08 0.00 0.00 40.66 43.43 3hbb h LEU 395 CO 0.02 -0.32 0.00 1.55 -1.08 0.00 0.00 178.44 178.61 3hbb h PRO 396 N -0.16 0.00 -0.02 1.13 0.13 -1.80 -1.49 132.00 129.78 3hbb h PRO 396 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3hbb h PRO 396 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 3hbb h PRO 396 CO -0.76 0.00 -0.09 0.54 -0.23 0.00 0.00 178.00 177.45 3hbb n ARG 397 N -2.35 1.78 -3.43 0.86 1.74 -0.45 -4.93 116.66 109.88 3hbb n ARG 397 Ca -0.00 -1.31 -0.29 0.00 -0.77 0.00 0.00 57.85 55.47 3hbb n ARG 397 Cb 0.11 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 3hbb n ARG 397 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hbb s MET 398 N -2.12 3.65 0.12 5.56 -1.94 -0.56 -4.22 119.30 119.77 3hbb s MET 398 Ca 0.30 -0.00 -0.17 0.00 -1.71 0.00 0.00 55.69 54.11 3hbb s MET 398 Cb 0.20 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 3hbb s MET 398 CO 0.37 0.28 1.62 0.00 -0.01 0.00 0.00 175.02 177.28 3hbb h ALA 399 N 2.01 0.45 -3.37 3.03 0.00 -1.40 -3.45 119.26 116.54 3hbb h ALA 399 Ca -0.47 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.02 3hbb h ALA 399 Cb 1.18 -0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.60 3hbb h ALA 399 CO 0.68 0.12 -0.72 -0.51 0.00 0.00 0.00 179.25 178.81 3hbb s LEU 400 N -9.65 2.15 0.54 0.00 1.43 -1.26 -5.00 118.68 106.88 3hbb s LEU 400 Ca -0.13 -0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 52.45 3hbb s LEU 400 Cb 0.09 -0.06 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 3hbb s LEU 400 CO 0.75 -0.14 1.16 -2.84 0.23 0.00 0.00 176.35 175.52 3hbb s PRO 401 N -0.91 3.31 0.50 1.29 0.02 -1.26 -4.94 135.00 133.02 3hbb s PRO 401 Ca -0.07 1.71 -0.23 0.00 0.02 0.00 0.00 61.00 62.42 3hbb s PRO 401 Cb -0.06 -2.05 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 3hbb s PRO 401 CO -0.00 -0.91 1.33 -1.25 -0.33 0.00 0.00 177.00 175.84 3hbb s PRO 402 N -3.20 3.40 -0.19 5.54 0.04 -1.26 -4.97 135.00 134.35 3hbb s PRO 402 Ca 0.73 2.18 -0.17 0.00 0.04 0.00 0.00 61.00 63.77 3hbb s PRO 402 Cb -0.27 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 3hbb s PRO 402 CO 0.30 -0.96 -0.35 0.00 0.04 0.00 0.00 177.00 176.03 3hbb s HIS 404 N -2.83 2.73 0.00 0.00 0.00 -1.26 -1.96 115.29 111.97 3hbb s HIS 404 Ca -0.30 0.28 0.00 0.00 -3.00 0.00 0.00 55.06 52.04 3hbb s HIS 404 Cb 0.06 -4.28 0.00 0.00 -4.00 0.00 0.00 32.58 24.36 3hbb s HIS 404 CO 0.43 -1.42 0.51 1.47 -1.00 0.00 0.00 174.74 174.74 3hbb n LEU 405 N 7.88 1.02 -3.64 5.38 -0.00 -0.81 -4.83 117.00 122.00 3hbb n LEU 405 Ca 0.06 -1.02 -0.08 0.00 -0.00 0.00 0.00 56.01 54.97 3hbb n LEU 405 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 3hbb n LEU 405 CO 0.68 0.25 0.47 -0.22 -0.00 0.00 0.00 177.39 178.57 3hbb s LEU 406 N -0.11 -0.77 -0.02 1.47 2.96 -1.23 -1.77 118.68 119.20 3hbb s LEU 406 Ca 0.00 1.31 0.00 0.00 -0.22 0.00 0.00 54.13 55.22 3hbb s LEU 406 Cb 0.00 2.25 0.03 0.00 0.50 0.00 0.00 46.19 48.96 3hbb s LEU 406 CO 0.00 -0.21 0.01 0.00 -1.32 0.00 0.00 176.35 174.83 3hbb s ALA 407 N 1.09 0.21 -0.08 5.97 0.00 -0.74 -0.02 121.76 128.19 3hbb s ALA 407 Ca -0.06 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.13 3hbb s ALA 407 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3hbb s ALA 407 CO -0.12 -0.07 -0.15 -1.14 0.00 0.00 0.00 175.76 174.28 3hbb s GLN 408 N 0.92 2.81 0.21 0.00 0.74 0.82 -1.43 119.66 123.73 3hbb s GLN 408 Ca -0.09 -0.72 0.05 0.00 0.05 0.00 0.00 55.36 54.65 3hbb s GLN 408 Cb -0.12 -2.44 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 3hbb s GLN 408 CO -0.02 0.46 0.28 -0.06 -0.55 0.00 0.00 175.29 175.40 3hbb s PHE 409 N -0.30 3.36 -0.21 1.67 0.08 -0.35 0.15 117.98 122.38 3hbb s PHE 409 Ca 0.02 0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 3hbb s PHE 409 Cb -0.13 -1.56 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 3hbb s PHE 409 CO 0.03 0.49 0.54 -0.47 -0.10 0.00 0.00 175.22 175.70 3hbb s TYR 410 N -1.92 -0.74 -0.05 0.36 5.04 -0.70 -4.75 117.35 114.60 3hbb s TYR 410 Ca 0.34 1.60 0.04 0.00 -2.44 0.00 0.00 57.07 56.60 3hbb s TYR 410 Cb -0.09 0.35 -0.03 0.00 0.35 0.00 0.00 41.96 42.54 3hbb s TYR 410 CO 0.27 -0.38 -0.15 0.08 -1.34 0.00 0.00 175.55 174.03 3hbb s VAL 411 N 1.09 2.97 -0.29 3.14 1.01 -1.26 0.33 120.40 127.39 3hbb s VAL 411 Ca -0.06 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3hbb s VAL 411 Cb -0.06 -2.15 0.12 0.00 0.00 0.00 0.00 36.38 34.29 3hbb s VAL 411 CO -0.10 0.59 0.79 -0.55 0.00 0.00 0.00 175.10 175.83 3hbb s SER 412 N -0.73 -0.83 -1.40 3.32 0.15 -0.74 -4.91 113.70 108.56 3hbb s SER 412 Ca 0.11 1.26 -0.09 0.00 0.70 0.00 0.00 55.95 57.93 3hbb s SER 412 Cb -0.11 1.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.81 3hbb s SER 412 CO 0.00 -0.19 1.05 0.59 1.20 0.00 0.00 173.24 175.89 3hbb n ASN 413 N 4.48 -4.84 -1.92 5.45 3.02 -1.26 -1.07 115.26 119.11 3hbb n ASN 413 Ca -0.17 -0.67 -0.17 0.00 -0.03 0.00 0.00 54.58 53.55 3hbb n ASN 413 Cb 0.56 -4.52 -0.04 0.00 -0.61 0.00 0.00 39.78 35.16 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 -1.76 0.66 3.30 7.41 0.00 -1.26 -4.98 105.19 108.56 3hbb n GLY 414 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.18 2.51 -0.39 1.61 2.02 -0.23 -2.37 118.70 117.67 3hbb s GLU 415 Ca 0.00 -0.88 -0.20 0.00 0.02 0.00 0.00 54.97 53.91 3hbb s GLU 415 Cb 0.00 -2.18 0.01 0.00 0.10 0.00 0.00 34.13 32.06 3hbb s GLU 415 CO 0.00 0.43 0.59 -1.17 0.02 0.00 0.00 175.26 175.13 3hbb s LEU 416 N -0.27 4.41 0.41 1.80 2.96 -0.59 -1.79 118.68 125.61 3hbb s LEU 416 Ca -0.00 -0.14 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 3hbb s LEU 416 Cb -0.13 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 43.89 3hbb s LEU 416 CO 0.03 -0.63 0.54 -0.44 -1.32 0.00 0.00 176.35 174.53 3hbb s SER 417 N 1.86 5.64 -0.25 3.68 0.01 0.15 -0.62 113.70 124.16 3hbb s SER 417 Ca 0.21 -0.42 -0.20 0.00 1.31 0.00 0.00 55.95 56.85 3hbb s SER 417 Cb -0.15 -0.72 0.07 0.00 0.21 0.00 0.00 66.02 65.43 3hbb s SER 417 CO 0.16 -0.71 0.66 0.00 0.41 0.00 0.00 173.24 173.76 3hbb s MET 419 N 0.78 3.01 -0.12 0.00 -1.94 0.12 -0.36 119.30 120.79 3hbb s MET 419 Ca -0.03 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 3hbb s MET 419 Cb -0.05 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.18 3hbb s MET 419 CO -0.06 0.48 -0.22 -1.17 -0.01 0.00 0.00 175.02 174.04 3hbb s LEU 420 N -0.32 2.07 -0.22 -0.03 2.96 -0.38 -0.13 118.68 122.63 3hbb s LEU 420 Ca 0.04 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.30 3hbb s LEU 420 Cb -0.13 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3hbb s LEU 420 CO 0.02 0.11 0.07 -0.47 -1.32 0.00 0.00 176.35 174.76 3hbb s TYR 421 N 0.64 3.16 -0.15 5.38 5.04 0.97 -0.17 117.35 132.23 3hbb s TYR 421 Ca -0.12 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 3hbb s TYR 421 Cb -0.16 -2.16 0.02 0.00 0.35 0.00 0.00 41.96 40.00 3hbb s TYR 421 CO 0.02 -0.10 -0.14 -1.14 -1.34 0.00 0.00 175.55 172.85 3hbb s GLN 422 N 1.01 2.31 0.21 4.97 0.74 -0.20 -1.93 119.66 126.78 3hbb s GLN 422 Ca 0.04 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 54.89 3hbb s GLN 422 Cb -0.14 -2.10 0.18 0.00 1.10 0.00 0.00 33.01 32.05 3hbb s GLN 422 CO 0.03 -0.23 1.53 0.07 -0.55 0.00 0.00 175.29 176.15 3hbb h ARG 423 N 8.01 0.42 -3.86 1.67 0.11 -1.69 0.42 114.38 119.45 3hbb h ARG 423 Ca -0.38 -0.27 -0.42 0.00 0.10 0.00 0.00 59.98 59.01 3hbb h ARG 423 Cb 1.14 0.03 -0.36 0.00 1.11 0.00 0.00 29.97 31.89 3hbb h ARG 423 CO 0.53 0.87 -0.77 0.45 0.10 0.00 0.00 179.97 181.15 3hbb s SER 424 N -6.91 1.27 -0.28 0.08 0.15 -1.26 -0.26 113.70 106.49 3hbb s SER 424 Ca -0.06 -0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 3hbb s SER 424 Cb 0.12 -0.45 0.09 0.00 -1.71 0.00 0.00 66.02 64.06 3hbb s SER 424 CO 0.82 -0.13 0.06 0.00 1.20 0.00 0.00 173.24 175.19 3hbb s ASP 426 N 1.53 6.70 0.46 0.00 2.15 -1.26 0.35 116.67 126.61 3hbb s ASP 426 Ca 0.05 0.65 0.24 0.00 0.43 0.00 0.00 52.55 53.92 3hbb s ASP 426 Cb -0.18 -2.46 1.07 0.00 -0.30 0.00 0.00 42.92 41.05 3hbb s ASP 426 CO -0.17 -0.80 1.90 0.24 -0.17 0.00 0.00 175.17 176.17 3hbb h MET 427 N 8.35 0.00 0.03 4.34 2.86 -1.63 0.11 114.93 128.99 3hbb h MET 427 Ca -0.23 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.18 3hbb h MET 427 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3hbb h MET 427 CO 0.96 0.22 -0.99 0.78 1.06 0.00 0.00 176.91 178.94 3hbb h GLY 428 N 1.60 0.39 0.00 8.32 0.00 -1.92 -3.41 103.07 108.06 3hbb h GLY 428 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3hbb h GLY 428 CO 0.03 0.65 0.00 -0.10 0.00 0.00 0.00 176.54 177.12 3hbb n LEU 429 N -3.69 0.00 -0.15 3.11 7.94 -1.23 -4.85 117.00 118.13 3hbb n LEU 429 Ca -0.07 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.73 3hbb n LEU 429 Cb 0.87 0.01 -0.01 0.00 0.53 0.00 0.00 43.42 44.82 3hbb n LEU 429 CO 0.51 -0.40 0.79 1.23 -1.11 0.00 0.00 177.39 178.42 3hbb h GLY 430 N 0.00 0.81 0.55 -3.96 0.00 -1.78 -3.17 103.07 95.52 3hbb h GLY 430 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 3hbb h GLY 430 CO 0.00 0.54 -0.15 -2.08 0.00 0.00 0.00 176.54 174.85 3hbb h VAL 431 N 0.59 0.60 0.00 4.60 2.07 -1.04 -2.10 116.25 120.97 3hbb h VAL 431 Ca 0.12 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3hbb h VAL 431 Cb 0.48 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3hbb h VAL 431 CO 0.02 0.12 -0.08 -0.65 0.02 0.00 0.00 177.57 177.01 3hbb h PRO 432 N -0.87 0.00 -0.01 1.57 0.11 -1.79 0.09 132.00 131.10 3hbb h PRO 432 Ca -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hbb h PRO 432 Cb 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3hbb h PRO 432 CO 0.07 0.08 0.00 0.35 -0.21 0.00 0.00 178.00 178.29 3hbb h PHE 433 N 0.00 0.01 -0.31 0.65 3.04 -1.57 -2.93 116.94 115.83 3hbb h PHE 433 Ca -0.00 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 3hbb h PHE 433 Cb 0.15 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 3hbb h PHE 433 CO 0.00 0.24 -0.14 -0.91 -2.02 0.00 0.00 178.31 175.48 3hbb h ASN 434 N -0.22 0.52 -0.72 0.41 2.35 -0.55 -1.44 115.58 115.93 3hbb h ASN 434 Ca 0.00 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3hbb h ASN 434 Cb 0.23 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3hbb h ASN 434 CO 0.00 0.68 0.47 0.40 -1.65 0.00 0.00 177.43 177.33 3hbb h ILE 435 N 0.49 1.15 -0.37 2.81 2.04 -1.03 -2.01 117.51 120.58 3hbb h ILE 435 Ca 0.09 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.50 3hbb h ILE 435 Cb 0.53 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3hbb h ILE 435 CO 0.03 0.17 -0.26 0.00 0.00 0.00 0.00 178.15 178.09 3hbb h ALA 436 N 1.28 0.84 -0.52 1.87 0.00 -1.28 -1.76 119.26 119.67 3hbb h ALA 436 Ca 0.27 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hbb h ALA 436 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3hbb h ALA 436 CO -0.08 0.64 0.29 0.77 0.00 0.00 0.00 179.25 180.87 3hbb h SER 437 N 0.66 0.44 1.17 0.00 0.02 -0.70 -1.27 113.55 113.88 3hbb h SER 437 Ca 0.08 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3hbb h SER 437 Cb 0.78 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3hbb h SER 437 CO 0.06 0.30 -0.71 1.88 -1.14 0.00 0.00 176.83 177.23 3hbb h TYR 438 N 0.56 0.00 0.26 3.45 -1.99 -1.41 -2.09 116.97 115.75 3hbb h TYR 438 Ca 0.22 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.94 3hbb h TYR 438 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 3hbb h TYR 438 CO -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 178.16 177.95 3hbb h ALA 439 N 2.13 -0.36 -0.13 3.88 0.00 -1.08 -1.84 119.26 121.86 3hbb h ALA 439 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hbb h ALA 439 Cb 0.94 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3hbb h ALA 439 CO 0.00 -0.61 -0.02 1.25 0.00 0.00 0.00 179.25 179.87 3hbb h LEU 440 N -0.54 -0.11 -0.00 0.00 6.46 -1.24 -1.56 115.31 118.32 3hbb h LEU 440 Ca -0.04 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 3hbb h LEU 440 Cb 0.40 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.36 3hbb h LEU 440 CO 0.06 -0.03 -0.27 0.25 -0.62 0.00 0.00 178.44 177.82 3hbb h LEU 441 N 0.01 -0.81 -0.94 2.25 5.85 -1.40 0.15 115.31 120.44 3hbb h LEU 441 Ca 0.06 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3hbb h LEU 441 Cb 0.09 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3hbb h LEU 441 CO -0.13 -0.34 0.59 0.74 -0.34 0.00 0.00 178.44 178.96 3hbb h THR 442 N -0.41 1.04 -0.54 1.05 2.02 -1.20 0.32 112.91 115.19 3hbb h THR 442 Ca 0.06 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3hbb h THR 442 Cb 0.50 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3hbb h THR 442 CO -0.24 0.19 0.31 0.40 0.37 0.00 0.00 175.52 176.56 3hbb h ILE 443 N 1.05 1.17 -0.11 3.11 2.04 -0.35 0.35 117.51 124.78 3hbb h ILE 443 Ca 0.42 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3hbb h ILE 443 Cb 0.22 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3hbb h ILE 443 CO -0.19 0.18 -0.03 -0.07 0.00 0.00 0.00 178.15 178.04 3hbb h LEU 444 N 0.72 0.21 -1.29 1.44 3.38 0.55 -2.23 115.31 118.09 3hbb h LEU 444 Ca 0.19 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3hbb h LEU 444 Cb 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3hbb h LEU 444 CO -0.03 0.53 0.03 0.40 0.09 0.00 0.00 178.44 179.46 3hbb h ILE 445 N -0.12 1.18 -0.28 1.22 1.08 -0.34 0.89 117.51 121.15 3hbb h ILE 445 Ca 0.03 -0.70 0.02 0.00 -0.39 0.00 0.00 64.86 63.81 3hbb h ILE 445 Cb 0.44 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 3hbb h ILE 445 CO 0.01 0.24 0.14 0.00 -0.69 0.00 0.00 178.15 177.85 3hbb h ALA 446 N 1.54 0.34 -0.87 1.87 0.00 -0.84 -1.84 119.26 119.46 3hbb h ALA 446 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hbb h ALA 446 Cb 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hbb h ALA 446 CO 0.00 -0.25 0.46 0.87 0.00 0.00 0.00 179.25 180.34 3hbb h LYS 447 N 0.29 1.21 0.00 0.00 1.57 -0.70 0.93 116.57 119.88 3hbb h LYS 447 Ca 0.11 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3hbb h LYS 447 Cb 0.03 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 3hbb h LYS 447 CO -0.08 0.90 -0.10 0.00 -0.57 0.00 0.00 179.45 179.59 3hbb h ALA 448 N 1.29 1.05 -0.01 3.86 0.00 -0.41 -3.07 119.26 121.97 3hbb h ALA 448 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hbb h ALA 448 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hbb h ALA 448 CO -0.05 0.13 -0.03 0.25 0.00 0.00 0.00 179.25 179.55 3hbb n THR 449 N -3.29 0.00 -1.82 0.00 -2.24 -0.73 -4.34 114.28 101.86 3hbb n THR 449 Ca -0.00 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.25 3hbb n THR 449 Cb 0.33 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.41 0.34 3.81 3.38 0.00 -0.02 -4.67 105.19 108.44 3hbb n GLY 450 Ca 0.03 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.35 3.81 0.19 0.99 1.43 0.11 -4.52 118.68 119.35 3hbb s LEU 451 Ca 0.00 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 3hbb s LEU 451 Cb 0.00 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 3hbb s LEU 451 CO 0.00 0.02 0.50 0.00 0.23 0.00 0.00 176.35 177.10 3hbb s ARG 452 N -3.44 3.78 0.47 1.70 1.70 -1.00 -3.96 118.95 118.20 3hbb s ARG 452 Ca 0.32 0.22 -0.24 0.00 -0.47 0.00 0.00 55.73 55.56 3hbb s ARG 452 Cb -0.09 -2.74 -0.07 0.00 -0.57 0.00 0.00 34.95 31.48 3hbb s ARG 452 CO 0.24 0.38 1.37 -1.25 -1.08 0.00 0.00 175.30 174.97 3hbb s PRO 453 N -2.62 3.56 0.00 3.89 0.04 -1.26 -1.55 135.00 137.06 3hbb s PRO 453 Ca 0.44 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.77 3hbb s PRO 453 Cb -0.12 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3hbb s PRO 453 CO 0.21 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.79 3hbb n GLY 454 N 0.63 1.00 3.24 0.56 0.00 0.20 -3.84 105.19 106.98 3hbb n GLY 454 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3hbb n GLY 454 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbb s GLU 455 N 1.91 1.67 -0.29 1.61 2.12 -1.25 -0.21 118.70 124.26 3hbb s GLU 455 Ca 0.00 -0.82 -0.07 0.00 0.36 0.00 0.00 54.97 54.44 3hbb s GLU 455 Cb 0.00 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.73 3hbb s GLU 455 CO 0.00 0.45 0.09 -1.17 -0.54 0.00 0.00 175.26 174.09 3hbb s LEU 456 N -0.68 3.84 -0.17 2.70 1.98 0.59 -0.76 118.68 126.17 3hbb s LEU 456 Ca 0.08 -0.64 -0.08 0.00 -2.89 0.00 0.00 54.13 50.61 3hbb s LEU 456 Cb -0.08 -1.90 -0.04 0.00 0.66 0.00 0.00 46.19 44.82 3hbb s LEU 456 CO -0.00 -0.18 0.09 -0.69 -1.89 0.00 0.00 176.35 173.68 3hbb s VAL 457 N 1.53 5.03 -0.22 1.68 1.01 0.52 -0.88 120.40 129.07 3hbb s VAL 457 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3hbb s VAL 457 Cb -0.17 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 32.99 3hbb s VAL 457 CO 0.03 0.49 -0.14 -2.28 0.00 0.00 0.00 175.10 173.20 3hbb s HIS 458 N 0.05 3.01 -0.23 5.22 2.46 0.14 -1.25 115.29 124.69 3hbb s HIS 458 Ca 0.07 -1.89 -0.10 0.00 0.47 0.00 0.00 55.06 53.61 3hbb s HIS 458 Cb -0.12 -1.94 -0.05 0.00 -0.13 0.00 0.00 32.58 30.34 3hbb s HIS 458 CO 0.00 -0.82 0.15 0.99 -2.47 0.00 0.00 174.74 172.59 3hbb s THR 459 N 1.22 5.27 -0.11 0.89 2.01 0.76 -1.27 115.64 124.41 3hbb s THR 459 Ca -0.01 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.11 3hbb s THR 459 Cb -0.16 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 3hbb s THR 459 CO -0.09 0.36 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.43 3hbb s LEU 460 N 0.99 3.48 0.00 4.42 1.02 -0.45 -1.03 118.68 127.11 3hbb s LEU 460 Ca 0.07 0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.27 3hbb s LEU 460 Cb -0.13 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.26 3hbb s LEU 460 CO 0.04 0.30 0.00 0.61 0.02 0.00 0.00 176.35 177.31 3hbb n GLY 461 N 2.69 1.00 3.41 -3.19 0.00 0.15 -2.63 105.19 106.62 3hbb n GLY 461 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 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 6.66 -0.22 1.61 -1.08 0.64 -0.57 116.67 122.71 3hbb s ASP 462 Ca 0.00 -2.24 -0.25 0.00 -0.52 0.00 0.00 52.55 49.55 3hbb s ASP 462 Cb 0.00 -2.34 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 3hbb s ASP 462 CO 0.00 -0.91 0.83 0.00 0.52 0.00 0.00 175.17 175.61 3hbb s ALA 463 N 1.88 3.60 0.08 3.66 0.00 -0.35 -0.06 121.76 130.57 3hbb s ALA 463 Ca 0.27 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3hbb s ALA 463 Cb -0.07 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 3hbb s ALA 463 CO -0.09 -0.82 -0.05 -3.38 0.00 0.00 0.00 175.76 171.42 3hbb s HIS 464 N 2.58 0.76 -0.02 0.00 -3.43 0.16 -0.55 115.29 114.79 3hbb s HIS 464 Ca 0.36 -0.98 0.05 0.00 -0.80 0.00 0.00 55.06 53.69 3hbb s HIS 464 Cb -0.16 -0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 30.51 3hbb s HIS 464 CO 0.09 -0.24 -0.18 0.08 -2.00 0.00 0.00 174.74 172.49 3hbb s VAL 465 N -3.74 1.43 0.17 -5.38 1.01 0.06 -1.37 120.40 112.58 3hbb s VAL 465 Ca 0.11 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3hbb s VAL 465 Cb 0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 3hbb s VAL 465 CO -0.06 0.41 1.13 -0.31 0.00 0.00 0.00 175.10 176.26 3hbb s TYR 466 N -0.32 3.54 0.25 5.22 2.02 -1.26 -0.89 117.35 125.91 3hbb s TYR 466 Ca 0.05 1.54 -0.06 0.00 -0.37 0.00 0.00 57.07 58.23 3hbb s TYR 466 Cb -0.08 -3.32 0.46 0.00 -0.40 0.00 0.00 41.96 38.62 3hbb s TYR 466 CO -0.00 -0.78 1.65 0.77 -1.57 0.00 0.00 175.55 175.62 3hbb h SER 467 N 5.21 -0.26 0.46 2.29 0.02 -1.21 0.30 113.55 120.37 3hbb h SER 467 Ca -0.44 0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 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 0.73 -0.15 -0.29 -0.55 -1.14 0.00 0.00 176.83 175.43 3hbb h ASN 468 N 0.14 0.00 0.02 3.07 7.08 -1.93 -2.70 115.58 121.27 3hbb h ASN 468 Ca 0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.64 3hbb h ASN 468 Cb 0.75 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.99 3hbb h ASN 468 CO -0.63 0.29 0.00 1.41 -2.08 0.00 0.00 177.43 176.42 3hbb n HIS 469 N -3.87 0.00 -0.12 4.14 8.25 0.10 -4.14 115.22 119.57 3hbb n HIS 469 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 3hbb n HIS 469 Cb 0.37 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.46 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 1.23 0.11 1.59 2.07 -1.12 -2.28 116.25 117.85 3hbb h VAL 470 Ca 0.00 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3hbb h VAL 470 Cb 0.01 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3hbb h VAL 470 CO 0.00 0.27 -0.05 -0.08 0.02 0.00 0.00 177.57 177.72 3hbb h GLU 471 N 0.44 -0.15 -0.94 1.57 4.81 -1.81 -2.78 114.58 115.73 3hbb h GLU 471 Ca 0.11 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 3hbb h GLU 471 Cb 0.32 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 3hbb h GLU 471 CO 0.00 0.14 0.61 -1.00 -0.73 0.00 0.00 179.01 178.03 3hbb h PRO 472 N -0.43 0.98 -0.56 0.92 0.13 -1.81 -2.65 132.00 128.58 3hbb h PRO 472 Ca -0.02 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.10 3hbb h PRO 472 Cb 0.35 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.21 3hbb h PRO 472 CO 0.03 0.65 0.30 0.00 -0.23 0.00 0.00 178.00 178.74 3hbb h ASN 474 N 0.57 0.85 -0.37 0.00 4.21 -1.19 0.46 115.58 120.11 3hbb h ASN 474 Ca 0.25 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.68 3hbb h ASN 474 Cb 0.15 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 3hbb h ASN 474 CO -0.16 0.60 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.22 3hbb h GLU 475 N 0.99 0.67 -0.68 0.81 4.39 -1.36 -3.09 114.58 116.31 3hbb h GLU 475 Ca 0.30 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3hbb h GLU 475 Cb -0.02 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3hbb h GLU 475 CO -0.08 0.79 0.21 0.37 -1.16 0.00 0.00 179.01 179.14 3hbb h GLN 476 N 0.49 1.05 0.00 2.33 4.15 -0.30 -2.78 115.11 120.05 3hbb h GLN 476 Ca 0.10 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 3hbb h GLN 476 Cb 0.50 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 3hbb h GLN 476 CO 0.02 0.89 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.75 3hbb h LEU 477 N 1.01 0.00 -0.88 -2.39 3.38 -0.07 -0.60 115.31 115.77 3hbb h LEU 477 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hbb h LEU 477 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hbb h LEU 477 CO -0.01 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.63 3hbb h LYS 478 N 0.00 0.00 -7.04 1.13 1.57 -1.41 -3.45 116.57 107.36 3hbb h LYS 478 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3hbb h LYS 478 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.35 3hbb h LYS 478 CO 0.00 0.00 0.41 1.03 -0.57 0.00 0.00 179.45 180.32 3hbb s ARG 479 N -3.43 3.83 -0.29 3.15 0.52 -0.23 -5.03 118.95 117.47 3hbb s ARG 479 Ca 0.04 1.48 -0.16 0.00 -0.52 0.00 0.00 55.73 56.58 3hbb s ARG 479 Cb 0.09 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 3hbb s ARG 479 CO 0.50 -0.43 0.40 0.08 0.02 0.00 0.00 175.30 175.87 3hbb s VAL 480 N -1.82 5.15 0.20 3.52 1.01 -1.26 -5.05 120.40 122.14 3hbb s VAL 480 Ca 0.65 0.50 -0.33 0.00 0.00 0.00 0.00 61.98 62.81 3hbb s VAL 480 Cb -0.20 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 3hbb s VAL 480 CO 0.25 0.07 1.60 -2.65 0.00 0.00 0.00 175.10 174.37 3hbb n PRO 481 N 5.41 2.36 -2.57 2.72 -0.02 -1.26 -4.94 135.00 136.71 3hbb n PRO 481 Ca -0.08 0.85 -0.24 0.00 -2.02 0.00 0.00 63.50 62.01 3hbb n PRO 481 Cb 0.50 -2.63 0.11 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.66 1.65 0.65 -0.52 0.52 -1.26 -4.51 118.95 116.15 3hbb s ARG 482 Ca 0.75 -1.09 -0.14 0.00 -0.52 0.00 0.00 55.73 54.73 3hbb s ARG 482 Cb -0.61 -2.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 3hbb s ARG 482 CO 0.39 -1.47 1.08 0.00 0.02 0.00 0.00 175.30 175.31 3hbb s ALA 483 N -3.16 2.60 0.32 2.13 0.00 -1.26 -4.80 121.76 117.58 3hbb s ALA 483 Ca 0.66 0.36 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 3hbb s ALA 483 Cb -0.05 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 3hbb s ALA 483 CO 0.45 -1.13 0.93 -0.06 0.00 0.00 0.00 175.76 175.95 3hbb s PHE 484 N -2.59 3.68 0.69 0.00 0.08 -1.26 -4.85 117.98 113.72 3hbb s PHE 484 Ca 0.63 1.75 -0.12 0.00 0.12 0.00 0.00 56.93 59.32 3hbb s PHE 484 Cb -0.17 -2.90 0.17 0.00 -0.57 0.00 0.00 43.02 39.55 3hbb s PHE 484 CO 0.44 0.21 0.72 -0.35 -0.10 0.00 0.00 175.22 176.14 3hbb n PRO 485 N 0.54 -1.71 -4.32 0.24 -0.04 -1.22 -4.80 135.00 123.69 3hbb n PRO 485 Ca 0.02 -1.14 -0.23 0.00 -0.04 0.00 0.00 63.50 62.11 3hbb n PRO 485 Cb 0.50 -0.93 -0.13 0.00 -0.04 0.00 0.00 33.50 32.91 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 -2.43 1.67 -0.17 0.54 1.51 -0.89 -1.03 117.35 116.56 3hbb s TYR 486 Ca 0.44 -0.41 -0.14 0.00 -1.01 0.00 0.00 57.07 55.95 3hbb s TYR 486 Cb -0.03 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.84 3hbb s TYR 486 CO 0.33 0.16 0.30 -1.17 -1.11 0.00 0.00 175.55 174.05 3hbb s LEU 487 N -1.73 4.23 -0.17 -1.29 2.96 -0.13 -0.08 118.68 122.47 3hbb s LEU 487 Ca 0.05 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3hbb s LEU 487 Cb -0.10 -2.37 0.03 0.00 0.50 0.00 0.00 46.19 44.25 3hbb s LEU 487 CO 0.03 0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.36 3hbb s VAL 488 N 0.59 1.41 -0.42 1.68 1.01 0.45 -4.80 120.40 120.33 3hbb s VAL 488 Ca 0.16 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 3hbb s VAL 488 Cb -0.13 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3hbb s VAL 488 CO 0.04 0.26 1.09 -0.36 0.00 0.00 0.00 175.10 176.13 3hbb s PHE 489 N 1.52 2.95 -0.30 5.22 0.08 -1.26 0.07 117.98 126.25 3hbb s PHE 489 Ca 0.02 0.87 0.20 0.00 0.12 0.00 0.00 56.93 58.13 3hbb s PHE 489 Cb -0.15 -4.11 0.17 0.00 -0.57 0.00 0.00 43.02 38.36 3hbb s PHE 489 CO -0.09 -1.06 1.40 0.00 -0.10 0.00 0.00 175.22 175.38 3hbb h ARG 490 N 8.78 0.00 -4.25 0.44 2.47 -1.01 -3.47 114.38 117.35 3hbb h ARG 490 Ca -0.22 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.30 3hbb h ARG 490 Cb 1.06 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.26 3hbb h ARG 490 CO 1.08 0.16 -0.41 -0.98 0.56 0.00 0.00 179.97 180.38 3hbb s ARG 491 N -3.15 1.41 0.33 0.04 1.70 -1.17 -5.08 118.95 113.03 3hbb s ARG 491 Ca 0.04 -1.54 0.09 0.00 -0.47 0.00 0.00 55.73 53.85 3hbb s ARG 491 Cb 0.07 0.36 -0.06 0.00 -0.57 0.00 0.00 34.95 34.74 3hbb s ARG 491 CO 0.72 -0.53 -0.09 -1.21 -1.08 0.00 0.00 175.30 173.12 3hbb s GLU 492 N -3.97 1.76 0.12 3.89 0.41 -1.26 -4.89 118.70 114.75 3hbb s GLU 492 Ca 0.33 -1.90 0.07 0.00 -0.41 0.00 0.00 54.97 53.06 3hbb s GLU 492 Cb 0.03 -1.57 -0.04 0.00 -1.78 0.00 0.00 34.13 30.78 3hbb s GLU 492 CO 0.13 0.12 -0.18 1.03 -0.49 0.00 0.00 175.26 175.86 3hbb s ARG 493 N -3.64 1.10 0.31 1.61 1.81 -1.26 -5.04 118.95 113.84 3hbb s ARG 493 Ca 0.32 -1.21 0.15 0.00 -1.72 0.00 0.00 55.73 53.26 3hbb s ARG 493 Cb 0.03 -1.19 0.42 0.00 -0.45 0.00 0.00 34.95 33.76 3hbb s ARG 493 CO 0.15 0.26 1.62 1.49 -0.68 0.00 0.00 175.30 178.14 3hbb h GLU 494 N 3.77 0.00 -4.89 3.54 4.81 -1.95 -3.43 114.58 116.43 3hbb h GLU 494 Ca -0.43 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.36 3hbb h GLU 494 Cb 1.19 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.27 3hbb h GLU 494 CO 0.45 0.53 -0.80 -0.06 -0.73 0.00 0.00 179.01 178.40 3hbb s PHE 495 N -3.45 1.06 0.29 0.92 0.08 -1.26 -0.52 117.98 115.10 3hbb s PHE 495 Ca 0.00 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.85 3hbb s PHE 495 Cb 0.11 -0.71 0.66 0.00 -0.57 0.00 0.00 43.02 42.51 3hbb s PHE 495 CO 0.73 -0.06 1.76 1.25 -0.10 0.00 0.00 175.22 178.80 3hbb h LEU 496 N 6.07 0.63 -2.24 -0.37 5.85 -1.18 0.52 115.31 124.58 3hbb h LEU 496 Ca -0.33 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3hbb h LEU 496 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hbb h LEU 496 CO 0.49 0.22 0.00 -0.33 -0.34 0.00 0.00 178.44 178.48 3hbb h GLU 497 N 0.66 0.00 -0.04 1.25 3.07 -1.93 -3.08 114.58 114.51 3hbb h GLU 497 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 3hbb h GLU 497 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3hbb h GLU 497 CO -0.40 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.96 3hbb n ASP 498 N -3.05 0.87 -4.66 1.42 8.00 0.17 -4.87 116.55 114.43 3hbb n ASP 498 Ca -0.01 -1.39 -0.43 0.00 0.71 0.00 0.00 54.79 53.67 3hbb n ASP 498 Cb 0.18 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.96 2.54 0.20 1.24 2.02 -1.17 -4.97 117.35 115.25 3hbb s TYR 499 Ca 0.38 0.69 -0.02 0.00 -0.37 0.00 0.00 57.07 57.75 3hbb s TYR 499 Cb 0.19 -3.67 -0.05 0.00 -0.40 0.00 0.00 41.96 38.03 3hbb s TYR 499 CO 0.31 -2.56 0.40 -1.21 -1.57 0.00 0.00 175.55 170.92 3hbb s GLU 500 N 3.53 3.55 0.40 -0.62 2.02 -1.26 -4.95 118.70 121.38 3hbb s GLU 500 Ca 0.63 -0.25 0.13 0.00 0.02 0.00 0.00 54.97 55.49 3hbb s GLU 500 Cb -0.27 -2.82 0.95 0.00 0.10 0.00 0.00 34.13 32.09 3hbb s GLU 500 CO 0.22 0.40 1.90 1.49 0.02 0.00 0.00 175.26 179.29 3hbb h GLU 501 N 2.17 0.52 0.00 1.61 4.22 -1.95 -0.59 114.58 120.56 3hbb h GLU 501 Ca -0.47 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.93 3hbb h GLU 501 Cb 1.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hbb h GLU 501 CO 0.69 0.34 0.00 0.78 -2.18 0.00 0.00 179.01 178.64 3hbb h GLY 502 N 0.53 0.00 2.00 1.92 0.00 -2.02 -2.85 103.07 102.66 3hbb h GLY 502 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 3hbb h GLY 502 CO -0.15 0.00 -0.22 -0.55 0.00 0.00 0.00 176.54 175.62 3hbb h ASP 503 N 0.00 0.00 -4.57 0.19 3.32 -1.47 -3.45 116.42 110.44 3hbb h ASP 503 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 3hbb h ASP 503 Cb 0.11 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.36 3hbb h ASP 503 CO 0.00 0.22 -0.88 0.00 -1.72 0.00 0.00 179.24 176.86 3hbb s MET 504 N -4.05 2.12 -0.15 3.56 0.23 -1.08 -0.30 119.30 119.64 3hbb s MET 504 Ca -0.02 -0.92 0.01 0.00 -1.03 0.00 0.00 55.69 53.72 3hbb s MET 504 Cb 0.13 -2.06 -0.00 0.00 -1.53 0.00 0.00 34.83 31.37 3hbb s MET 504 CO 0.64 0.56 -0.16 -2.00 -2.03 0.00 0.00 175.02 172.03 3hbb s GLU 505 N -0.64 3.23 -0.24 3.16 2.12 0.11 -4.94 118.70 121.50 3hbb s GLU 505 Ca 0.10 -0.75 -0.25 0.00 0.36 0.00 0.00 54.97 54.43 3hbb s GLU 505 Cb -0.10 -2.60 -0.00 0.00 0.26 0.00 0.00 34.13 31.69 3hbb s GLU 505 CO -0.01 0.06 0.85 0.08 -0.54 0.00 0.00 175.26 175.71 3hbb s VAL 506 N 0.70 4.82 -0.13 3.70 1.01 -1.26 -0.41 120.40 128.83 3hbb s VAL 506 Ca -0.07 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.49 3hbb s VAL 506 Cb -0.16 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3hbb s VAL 506 CO 0.02 -0.09 0.00 0.27 0.00 0.00 0.00 175.10 175.30 3hbb s ILE 507 N 2.89 4.28 -0.92 2.22 -4.36 0.89 -4.61 121.20 121.59 3hbb s ILE 507 Ca 0.36 -0.23 -0.04 0.00 -0.26 0.00 0.00 60.65 60.47 3hbb s ILE 507 Cb -0.15 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.71 3hbb s ILE 507 CO 0.07 0.53 0.59 0.47 0.24 0.00 0.00 174.94 176.84 3hbb n ASP 508 N 2.96 -4.64 -4.45 4.36 8.00 -1.26 -2.09 116.55 119.43 3hbb n ASP 508 Ca -0.18 -0.27 -0.44 0.00 0.71 0.00 0.00 54.79 54.62 3hbb n ASP 508 Cb 0.53 -3.35 -0.05 0.00 -0.02 0.00 0.00 41.12 38.23 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 -3.09 2.88 -0.69 1.24 5.04 -1.26 -4.32 117.35 117.15 3hbb s TYR 509 Ca 0.29 -0.53 0.05 0.00 -2.44 0.00 0.00 57.07 54.44 3hbb s TYR 509 Cb -0.13 -3.97 0.18 0.00 0.35 0.00 0.00 41.96 38.39 3hbb s TYR 509 CO 0.36 -1.33 0.52 0.00 -1.34 0.00 0.00 175.55 173.76 3hbb n ALA 510 N 6.91 3.48 -1.90 3.97 0.00 -1.26 -5.09 120.51 126.62 3hbb n ALA 510 Ca -0.05 -4.51 -0.29 0.00 0.00 0.00 0.00 53.44 48.60 3hbb n ALA 510 Cb 0.45 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.55 1.98 0.80 0.00 0.04 -1.26 -4.98 135.00 130.03 3hbb s PRO 511 Ca 0.27 0.08 -0.11 0.00 0.04 0.00 0.00 61.00 61.28 3hbb s PRO 511 Cb -0.01 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.63 3hbb s PRO 511 CO -0.15 -1.57 1.12 0.71 0.04 0.00 0.00 177.00 177.15 3hbb s TYR 512 N -3.55 2.23 1.23 0.56 1.51 0.26 -4.96 117.35 114.63 3hbb s TYR 512 Ca 0.62 1.63 -0.17 0.00 -1.01 0.00 0.00 57.07 58.14 3hbb s TYR 512 Cb -0.11 -3.20 0.30 0.00 -0.11 0.00 0.00 41.96 38.84 3hbb s TYR 512 CO 0.49 -2.19 1.02 -2.14 -1.11 0.00 0.00 175.55 171.62 3hbb s PRO 513 N -4.61 -1.47 0.43 -1.71 0.02 -1.26 -4.31 135.00 122.09 3hbb s PRO 513 Ca 0.65 0.35 -0.25 0.00 0.02 0.00 0.00 61.00 61.78 3hbb s PRO 513 Cb -0.21 -1.53 -0.08 0.00 0.02 0.00 0.00 34.50 32.70 3hbb s PRO 513 CO 0.54 -3.96 1.24 -2.14 -0.33 0.00 0.00 177.00 172.34 3hbb s PRO 514 N -4.94 3.88 0.28 5.54 0.02 -1.26 -4.83 135.00 133.69 3hbb s PRO 514 Ca 0.69 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 3hbb s PRO 514 Cb -0.17 -2.62 -0.10 0.00 0.02 0.00 0.00 34.50 31.64 3hbb s PRO 514 CO 0.60 -0.51 1.23 -1.50 -0.33 0.00 0.00 177.00 176.49 3hbb s ILE 515 N -1.37 3.12 -0.75 2.83 -1.16 -1.26 -5.18 121.20 117.43 3hbb s ILE 515 Ca 0.60 1.07 0.00 0.00 -0.51 0.00 0.00 60.65 61.80 3hbb s ILE 515 Cb -0.34 -3.68 0.00 0.00 0.61 0.00 0.00 42.46 39.05 3hbb s ILE 515 CO 0.43 0.23 0.19 -1.20 -2.81 0.00 0.00 174.94 171.77