#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbq s ASP 95 N 0.00 5.75 0.02 1.08 3.68 -1.26 -4.86 116.67 121.08 3hbq s ASP 95 Ca 0.00 1.72 0.05 0.00 2.13 0.00 0.00 52.55 56.46 3hbq s ASP 95 Cb 0.00 -2.52 0.24 0.00 -1.45 0.00 0.00 42.92 39.19 3hbq s ASP 95 CO 0.00 -1.75 1.17 -0.81 0.13 0.00 0.00 175.17 173.90 3hbq n PRO 96 N 8.47 0.01 0.00 4.34 -0.04 -1.26 -2.06 135.00 144.46 3hbq n PRO 96 Ca 0.26 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 64.23 3hbq n PRO 96 Cb 0.45 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3hbq n PRO 96 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hbq n PHE 97 N -1.56 0.00 -0.40 0.54 3.01 -1.26 -4.51 117.46 113.28 3hbq n PHE 97 Ca 0.01 0.00 0.33 0.00 1.01 0.00 0.00 57.45 58.80 3hbq n PHE 97 Cb 0.05 0.00 0.61 0.00 -0.01 0.00 0.00 39.48 40.13 3hbq n PHE 97 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hbq h ALA 98 N 2.14 2.50 0.00 4.37 0.00 -1.81 0.27 119.26 126.73 3hbq h ALA 98 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hbq h ALA 98 Cb 0.39 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hbq h ALA 98 CO 0.00 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 178.52 3hbq n GLY 99 N -1.44 -1.19 3.72 0.00 0.00 -1.26 -4.89 105.19 100.13 3hbq n GLY 99 Ca 0.36 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 3hbq n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbq s ASP 100 N -2.72 4.39 0.80 1.61 1.11 0.93 -4.96 116.67 117.83 3hbq s ASP 100 Ca 0.20 2.59 -0.11 0.00 0.18 0.00 0.00 52.55 55.40 3hbq s ASP 100 Cb 0.17 -2.61 0.07 0.00 1.07 0.00 0.00 42.92 41.61 3hbq s ASP 100 CO 0.40 -2.15 1.09 -2.16 1.18 0.00 0.00 175.17 173.53 3hbq s PRO 101 N -3.52 2.08 0.52 8.23 0.04 -1.26 -5.04 135.00 136.05 3hbq s PRO 101 Ca 0.81 0.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 3hbq s PRO 101 Cb -0.36 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 3hbq s PRO 101 CO 0.42 -1.67 0.94 -1.25 0.04 0.00 0.00 177.00 175.48 3hbq s PRO 102 N -5.04 3.79 0.42 0.56 0.04 -1.26 -5.08 135.00 128.43 3hbq s PRO 102 Ca 0.61 0.75 0.07 0.00 0.04 0.00 0.00 61.00 62.46 3hbq s PRO 102 Cb -0.16 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 3hbq s PRO 102 CO 0.55 -0.30 0.10 1.03 0.04 0.00 0.00 177.00 178.43 3hbq s ARG 103 N -4.38 2.11 0.23 4.56 3.00 -1.26 -5.06 118.95 118.15 3hbq s ARG 103 Ca 0.55 -1.99 -0.30 0.00 0.00 0.00 0.00 55.73 54.00 3hbq s ARG 103 Cb -0.10 -1.82 -0.09 0.00 0.00 0.00 0.00 34.95 32.94 3hbq s ARG 103 CO 0.39 -0.11 1.31 -1.58 0.00 0.00 0.00 175.30 175.31 3hbq s HIS 104 N -2.66 3.21 -2.00 -0.53 5.65 -1.26 -4.90 115.29 112.79 3hbq s HIS 104 Ca 0.37 1.26 0.20 0.00 0.25 0.00 0.00 55.06 57.13 3hbq s HIS 104 Cb 0.06 -3.63 1.19 0.00 -1.18 0.00 0.00 32.58 29.02 3hbq s HIS 104 CO 0.20 -1.90 1.77 -0.35 -0.65 0.00 0.00 174.74 173.80 3hbq n PRO 105 N 2.18 1.01 -0.03 2.88 -0.04 -1.26 -3.03 135.00 136.71 3hbq n PRO 105 Ca 0.05 -0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 3hbq n PRO 105 Cb 0.42 -1.31 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 3hbq n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hbq n GLY 106 N 0.82 0.17 3.75 0.55 0.00 -1.26 -5.02 105.19 104.20 3hbq n GLY 106 Ca 0.15 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3hbq n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbq s LEU 107 N -0.75 3.25 -0.53 0.99 1.43 -1.17 -4.43 118.68 117.46 3hbq s LEU 107 Ca 0.11 2.08 -0.20 0.00 -1.03 0.00 0.00 54.13 55.10 3hbq s LEU 107 Cb 0.07 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.80 3hbq s LEU 107 CO 0.10 -2.03 0.68 -0.13 0.23 0.00 0.00 176.35 175.21 3hbq s ARG 108 N -4.25 3.13 -0.19 1.70 1.81 0.74 -4.94 118.95 116.95 3hbq s ARG 108 Ca 0.68 -0.91 -0.15 0.00 -1.72 0.00 0.00 55.73 53.63 3hbq s ARG 108 Cb -0.22 -4.13 -0.04 0.00 -0.45 0.00 0.00 34.95 30.10 3hbq s ARG 108 CO 0.47 -1.33 0.35 0.08 -0.68 0.00 0.00 175.30 174.18 3hbq s VAL 109 N 2.82 5.25 -0.34 3.52 1.01 -1.26 -1.75 120.40 129.65 3hbq s VAL 109 Ca 0.16 0.62 0.18 0.00 0.00 0.00 0.00 61.98 62.94 3hbq s VAL 109 Cb -0.19 -3.68 -0.24 0.00 0.00 0.00 0.00 36.38 32.26 3hbq s VAL 109 CO 0.11 0.31 0.53 -0.46 0.00 0.00 0.00 175.10 175.59 3hbq n ASN 110 N 4.14 0.89 -3.67 3.32 0.23 -0.41 -4.93 115.26 114.83 3hbq n ASN 110 Ca -0.10 -0.37 -0.09 0.00 -0.53 0.00 0.00 54.58 53.50 3hbq n ASN 110 Cb 0.51 1.48 -0.10 0.00 -2.08 0.00 0.00 39.78 39.60 3hbq n ASN 110 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3hbq s SER 111 N -3.47 -0.43 -0.07 0.53 0.15 -1.11 -4.91 113.70 104.40 3hbq s SER 111 Ca -0.01 1.00 -0.25 0.00 0.70 0.00 0.00 55.95 57.39 3hbq s SER 111 Cb 0.12 1.16 -0.26 0.00 -1.71 0.00 0.00 66.02 65.33 3hbq s SER 111 CO 0.72 -0.22 0.94 -0.61 1.20 0.00 0.00 173.24 175.28 3hbq h GLN 112 N 7.69 0.16 -4.02 5.44 5.75 -1.91 0.93 115.11 129.15 3hbq h GLN 112 Ca -0.25 -0.21 -0.60 0.00 -0.15 0.00 0.00 58.65 57.44 3hbq h GLN 112 Cb 1.14 0.07 -0.40 0.00 1.07 0.00 0.00 27.48 29.37 3hbq h GLN 112 CO 0.19 1.01 -0.75 0.15 -2.65 0.00 0.00 178.83 176.77 3hbq s LYS 113 N -2.76 1.10 0.73 1.69 1.02 -1.26 -1.83 119.74 118.43 3hbq s LYS 113 Ca -0.16 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 3hbq s LYS 113 Cb -0.00 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.90 3hbq s LYS 113 CO 0.75 -0.87 1.08 -1.25 -0.92 0.00 0.00 175.35 174.14 3hbq s PRO 114 N 1.40 2.62 -0.04 -1.68 0.04 -1.26 -5.10 135.00 130.98 3hbq s PRO 114 Ca 0.06 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 3hbq s PRO 114 Cb -0.18 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3hbq s PRO 114 CO -0.16 -1.36 1.14 0.12 0.04 0.00 0.00 177.00 176.79 3hbq s PHE 115 N -2.92 3.33 -0.21 0.56 5.36 -0.76 -4.66 117.98 118.67 3hbq s PHE 115 Ca 0.60 1.34 -0.04 0.00 -0.96 0.00 0.00 56.93 57.88 3hbq s PHE 115 Cb -0.16 -3.35 0.10 0.00 -0.34 0.00 0.00 43.02 39.27 3hbq s PHE 115 CO 0.54 -0.99 0.25 -0.80 -1.46 0.00 0.00 175.22 172.77 3hbq s ASN 116 N 1.30 1.19 0.13 6.13 0.01 0.32 -2.45 114.94 121.57 3hbq s ASN 116 Ca 0.55 -0.16 -0.07 0.00 -0.71 0.00 0.00 52.86 52.47 3hbq s ASN 116 Cb -0.24 0.51 -0.01 0.00 0.41 0.00 0.00 41.25 41.92 3hbq s ASN 116 CO 0.23 -0.32 0.20 0.00 -1.51 0.00 0.00 177.10 175.69 3hbq s ALA 117 N 2.36 0.13 0.08 0.60 0.00 -0.47 -1.28 121.76 123.18 3hbq s ALA 117 Ca 0.08 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3hbq s ALA 117 Cb -0.16 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3hbq s ALA 117 CO -0.13 -0.56 -0.09 -1.83 0.00 0.00 0.00 175.76 173.14 3hbq s GLU 118 N -3.95 0.76 0.71 0.00 -1.05 -0.72 -1.33 118.70 113.13 3hbq s GLU 118 Ca 0.15 -1.07 -0.16 0.00 -0.15 0.00 0.00 54.97 53.74 3hbq s GLU 118 Cb 0.05 -0.45 0.03 0.00 -0.44 0.00 0.00 34.13 33.31 3hbq s GLU 118 CO -0.03 0.07 1.22 -1.25 0.95 0.00 0.00 175.26 176.21 3hbq s PRO 119 N -2.55 2.26 0.41 -4.83 0.04 -1.24 -0.19 135.00 128.90 3hbq s PRO 119 Ca 0.02 1.80 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 3hbq s PRO 119 Cb -0.04 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 3hbq s PRO 119 CO -0.00 -1.75 1.23 -2.14 0.04 0.00 0.00 177.00 174.37 3hbq s PRO 120 N -3.80 3.98 0.57 0.56 0.02 -1.26 -4.72 135.00 130.34 3hbq s PRO 120 Ca 0.75 1.98 0.27 0.00 0.02 0.00 0.00 61.00 64.03 3hbq s PRO 120 Cb -0.30 -2.69 1.68 0.00 0.02 0.00 0.00 34.50 33.21 3hbq s PRO 120 CO 0.44 -0.43 2.21 0.00 -0.33 0.00 0.00 177.00 178.89 3hbq h ALA 121 N 2.60 1.54 0.00 -1.55 0.00 -1.92 0.24 119.26 120.17 3hbq h ALA 121 Ca -0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3hbq h ALA 121 Cb 1.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hbq h ALA 121 CO 0.62 0.03 -0.03 0.93 0.00 0.00 0.00 179.25 180.80 3hbq h GLU 122 N 0.00 0.00 0.00 0.00 3.07 -1.90 -3.02 114.58 112.73 3hbq h GLU 122 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hbq h GLU 122 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3hbq h GLU 122 CO 0.00 0.03 -1.14 1.28 -1.40 0.00 0.00 179.01 177.79 3hbq n LEU 123 N -3.43 0.08 -0.30 1.33 4.77 0.01 -4.65 117.00 114.82 3hbq n LEU 123 Ca -0.02 -0.11 0.09 0.00 -0.03 0.00 0.00 56.01 55.93 3hbq n LEU 123 Cb 0.14 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.54 3hbq n LEU 123 CO 0.25 0.02 1.23 0.25 -1.33 0.00 0.00 177.39 177.81 3hbq h LEU 124 N 0.00 0.79 -3.13 2.23 5.85 -1.26 -2.49 115.31 117.30 3hbq h LEU 124 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hbq h LEU 124 Cb 0.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3hbq h LEU 124 CO 0.00 0.43 -0.05 0.00 -0.34 0.00 0.00 178.44 178.48 3hbq n ALA 125 N -2.40 2.86 0.16 1.25 0.00 -1.26 -4.61 120.51 116.51 3hbq n ALA 125 Ca 0.17 -2.64 0.05 0.00 0.00 0.00 0.00 53.44 51.02 3hbq n ALA 125 Cb 0.37 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.35 3hbq n ALA 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hbq h GLU 126 N 0.81 0.00 -4.85 0.00 4.81 -1.71 -3.44 114.58 110.20 3hbq h GLU 126 Ca 0.02 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 3hbq h GLU 126 Cb 1.22 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.45 3hbq h GLU 126 CO 0.12 0.36 -0.71 1.03 -0.73 0.00 0.00 179.01 179.08 3hbq s ARG 127 N -3.03 0.89 0.02 1.92 0.52 -1.26 -5.05 118.95 112.96 3hbq s ARG 127 Ca 0.05 -1.30 -0.19 0.00 -0.52 0.00 0.00 55.73 53.77 3hbq s ARG 127 Cb 0.07 -0.42 -0.24 0.00 0.52 0.00 0.00 34.95 34.88 3hbq s ARG 127 CO 0.73 0.04 1.11 0.35 0.02 0.00 0.00 175.30 177.54 3hbq h PHE 128 N 3.13 0.69 -3.56 -0.53 3.57 -1.93 -3.41 116.94 114.90 3hbq h PHE 128 Ca -0.36 -0.38 -0.61 0.00 3.53 0.00 0.00 57.97 60.14 3hbq h PHE 128 Cb 1.18 -0.08 -0.13 0.00 2.79 0.00 0.00 35.95 39.71 3hbq h PHE 128 CO 0.62 1.21 -0.38 -0.51 -2.23 0.00 0.00 178.31 177.01 3hbq s LEU 129 N -8.27 4.12 -0.17 0.59 1.43 -1.26 -4.68 118.68 110.45 3hbq s LEU 129 Ca -0.13 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3hbq s LEU 129 Cb 0.04 -2.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 3hbq s LEU 129 CO 0.84 -0.00 1.09 -0.89 0.23 0.00 0.00 176.35 177.62 3hbq s THR 130 N 1.22 4.58 0.29 5.49 2.01 0.85 -4.98 115.64 125.10 3hbq s THR 130 Ca 0.12 1.89 -0.28 0.00 0.31 0.00 0.00 61.69 63.73 3hbq s THR 130 Cb -0.14 -4.22 -0.14 0.00 0.01 0.00 0.00 72.50 68.01 3hbq s THR 130 CO 0.06 -0.11 1.11 -0.81 -0.69 0.00 0.00 174.62 174.18 3hbq n PRO 131 N 5.92 1.56 -0.32 4.92 -0.04 -1.26 -4.69 135.00 141.08 3hbq n PRO 131 Ca 0.11 0.55 0.22 0.00 -0.04 0.00 0.00 63.50 64.34 3hbq n PRO 131 Cb 0.46 -1.99 0.43 0.00 -0.04 0.00 0.00 33.50 32.36 3hbq n PRO 131 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3hbq h ASN 132 N 2.32 0.16 0.35 3.54 2.35 -1.93 -1.41 115.58 120.95 3hbq h ASN 132 Ca -0.42 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3hbq h ASN 132 Cb 1.32 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.96 3hbq h ASN 132 CO 0.62 -0.26 -0.00 -1.84 -1.65 0.00 0.00 177.43 174.30 3hbq n GLU 133 N -5.23 0.65 -0.00 0.81 0.00 -1.26 -2.91 120.64 112.70 3hbq n GLU 133 Ca 0.29 -0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.47 3hbq n GLU 133 Cb 0.95 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.86 3hbq n GLU 133 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hbq n LEU 134 N -1.17 0.02 -4.62 -1.84 4.77 -0.62 -4.37 117.00 109.18 3hbq n LEU 134 Ca 0.18 -0.06 -0.48 0.00 -0.03 0.00 0.00 56.01 55.62 3hbq n LEU 134 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3hbq n LEU 134 CO 0.21 0.01 0.90 0.33 -1.33 0.00 0.00 177.39 177.51 3hbq n PHE 135 N -1.60 1.70 -1.68 -1.77 -0.00 -0.70 -3.62 117.46 109.79 3hbq n PHE 135 Ca -0.01 0.55 -0.40 0.00 -0.00 0.00 0.00 57.45 57.59 3hbq n PHE 135 Cb 0.11 -2.37 0.02 0.00 -0.00 0.00 0.00 39.48 37.24 3hbq n PHE 135 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.76 178.73 3hbq n PHE 136 N 2.11 1.83 -4.89 -5.13 -1.74 -1.26 -4.85 117.46 103.53 3hbq n PHE 136 Ca 0.15 0.48 -0.26 0.00 -0.56 0.00 0.00 57.45 57.26 3hbq n PHE 136 Cb 0.26 -2.32 -0.16 0.00 1.52 0.00 0.00 39.48 38.78 3hbq n PHE 136 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 3hbq s THR 137 N -1.28 1.50 -0.19 1.97 2.01 -0.44 -4.99 115.64 114.22 3hbq s THR 137 Ca 0.66 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 3hbq s THR 137 Cb -0.48 -1.27 0.08 0.00 0.01 0.00 0.00 72.50 70.83 3hbq s THR 137 CO 0.54 0.43 0.14 -0.60 -0.69 0.00 0.00 174.62 174.45 3hbq s ARG 138 N -0.08 0.12 -0.04 4.92 3.00 -1.26 -1.37 118.95 124.23 3hbq s ARG 138 Ca -0.01 0.01 0.05 0.00 -1.00 0.00 0.00 55.73 54.78 3hbq s ARG 138 Cb -0.11 -1.56 -0.01 0.00 0.00 0.00 0.00 34.95 33.28 3hbq s ARG 138 CO 0.02 -0.68 -0.20 -0.80 0.00 0.00 0.00 175.30 173.64 3hbq s ASN 139 N 2.21 2.45 0.07 -2.12 0.01 -1.03 -5.01 114.94 111.53 3hbq s ASN 139 Ca 0.04 -0.40 0.17 0.00 -0.71 0.00 0.00 52.86 51.96 3hbq s ASN 139 Cb -0.16 -0.57 -0.13 0.00 0.41 0.00 0.00 41.25 40.81 3hbq s ASN 139 CO -0.11 0.20 0.85 0.45 -1.51 0.00 0.00 177.10 176.98 3hbq h HIS 140 N 6.03 0.00 -4.59 2.20 3.86 -1.94 -3.40 115.15 117.31 3hbq h HIS 140 Ca -0.34 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.40 3hbq h HIS 140 Cb 1.16 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.50 3hbq h HIS 140 CO 0.42 0.56 -0.50 -0.51 0.86 0.00 0.00 177.93 178.76 3hbq s LEU 141 N -5.79 1.74 0.53 2.43 1.43 -1.26 -4.66 118.68 113.10 3hbq s LEU 141 Ca -0.03 -1.73 -0.22 0.00 -1.03 0.00 0.00 54.13 51.13 3hbq s LEU 141 Cb 0.09 0.46 -0.06 0.00 0.03 0.00 0.00 46.19 46.71 3hbq s LEU 141 CO 0.81 -1.03 1.20 -2.65 0.23 0.00 0.00 176.35 174.91 3hbq n PRO 142 N -0.64 1.46 -2.40 1.29 -0.02 -1.26 -4.71 135.00 128.72 3hbq n PRO 142 Ca 0.05 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 3hbq n PRO 142 Cb 0.63 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3hbq n PRO 142 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hbq s VAL 143 N -1.33 4.24 0.40 -1.45 1.01 -1.26 -4.78 120.40 117.23 3hbq s VAL 143 Ca 0.71 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.91 3hbq s VAL 143 Cb -0.44 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 31.85 3hbq s VAL 143 CO 0.50 -0.16 1.45 -2.84 0.00 0.00 0.00 175.10 174.05 3hbq s PRO 144 N 3.58 3.97 -0.39 2.72 0.02 -1.26 -4.73 135.00 138.91 3hbq s PRO 144 Ca 0.56 2.48 -0.21 0.00 0.02 0.00 0.00 61.00 63.85 3hbq s PRO 144 Cb -0.22 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.46 3hbq s PRO 144 CO 0.16 -0.61 0.65 0.00 -0.33 0.00 0.00 177.00 176.87 3hbq s ALA 145 N -1.16 3.41 -0.13 -1.55 0.00 -1.26 -5.02 121.76 116.05 3hbq s ALA 145 Ca 0.56 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 3hbq s ALA 145 Cb -0.45 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 3hbq s ALA 145 CO 0.59 -1.53 -0.07 0.08 0.00 0.00 0.00 175.76 174.83 3hbq s VAL 146 N 2.80 3.57 -0.45 0.00 1.01 -1.26 -5.06 120.40 121.01 3hbq s VAL 146 Ca 0.24 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3hbq s VAL 146 Cb -0.14 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.74 3hbq s VAL 146 CO 0.17 0.52 0.60 -0.70 0.00 0.00 0.00 175.10 175.69 3hbq s GLU 147 N 0.19 3.21 0.11 2.72 -6.30 -1.26 -4.97 118.70 112.40 3hbq s GLU 147 Ca -0.04 -0.55 -0.31 0.00 -2.50 0.00 0.00 54.97 51.56 3hbq s GLU 147 Cb -0.14 -3.98 -0.11 0.00 0.00 0.00 0.00 34.13 29.89 3hbq s GLU 147 CO 0.04 -1.02 1.51 -1.35 0.02 0.00 0.00 175.26 174.45 3hbq h PRO 148 N 8.88 -0.46 -0.84 4.30 0.11 -1.97 -2.15 132.00 139.88 3hbq h PRO 148 Ca -0.26 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 3hbq h PRO 148 Cb 1.10 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3hbq h PRO 148 CO 0.89 -0.30 0.44 0.66 -0.21 0.00 0.00 178.00 179.48 3hbq h SER 149 N -0.47 1.05 0.17 -2.05 4.64 -2.03 -1.86 113.55 113.00 3hbq h SER 149 Ca 0.04 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hbq h SER 149 Cb 0.60 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3hbq h SER 149 CO -0.47 0.86 -0.04 -1.54 -0.87 0.00 0.00 176.83 174.77 3hbq n SER 150 N -4.33 0.48 -4.70 4.97 3.41 -1.11 -4.83 113.62 107.51 3hbq n SER 150 Ca 0.09 -0.89 -0.43 0.00 -0.26 0.00 0.00 58.87 57.37 3hbq n SER 150 Cb 0.11 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 3hbq n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hbq n TYR 151 N -0.76 2.58 -3.95 7.33 4.19 -0.70 -5.02 117.16 120.83 3hbq n TYR 151 Ca 0.19 0.09 -0.21 0.00 3.31 0.00 0.00 57.90 61.27 3hbq n TYR 151 Cb 0.23 -2.64 -0.17 0.00 0.49 0.00 0.00 39.34 37.25 3hbq n TYR 151 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 3hbq s ARG 152 N 1.34 0.70 -0.10 2.98 1.81 -1.26 -3.87 118.95 120.55 3hbq s ARG 152 Ca 0.77 0.00 -0.21 0.00 -1.72 0.00 0.00 55.73 54.58 3hbq s ARG 152 Cb -0.56 -0.89 -0.04 0.00 -0.45 0.00 0.00 34.95 33.01 3hbq s ARG 152 CO 0.35 -0.19 0.61 -1.17 -0.68 0.00 0.00 175.30 174.22 3hbq s LEU 153 N 1.43 4.29 -0.13 2.53 2.96 0.11 -4.87 118.68 125.00 3hbq s LEU 153 Ca -0.03 1.02 -0.14 0.00 -0.22 0.00 0.00 54.13 54.75 3hbq s LEU 153 Cb -0.13 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.59 3hbq s LEU 153 CO -0.03 -0.09 0.33 -0.60 -1.32 0.00 0.00 176.35 174.65 3hbq s ARG 154 N 0.84 4.20 -0.15 1.98 3.52 -0.19 0.11 118.95 129.25 3hbq s ARG 154 Ca 0.32 0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 56.07 3hbq s ARG 154 Cb -0.17 -3.39 0.06 0.00 -1.56 0.00 0.00 34.95 29.89 3hbq s ARG 154 CO 0.14 0.30 0.10 0.08 -0.81 0.00 0.00 175.30 175.12 3hbq s VAL 155 N 0.25 -0.13 -0.27 7.11 1.01 -0.30 -1.65 120.40 126.42 3hbq s VAL 155 Ca 0.19 -0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 3hbq s VAL 155 Cb -0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3hbq s VAL 155 CO 0.06 -0.18 0.70 -1.81 0.00 0.00 0.00 175.10 173.87 3hbq s ASP 156 N 2.17 6.64 1.01 3.32 1.01 -1.18 -0.91 116.67 128.73 3hbq s ASP 156 Ca 0.03 0.74 -0.12 0.00 0.71 0.00 0.00 52.55 53.91 3hbq s ASP 156 Cb -0.15 -2.37 0.20 0.00 1.01 0.00 0.00 42.92 41.60 3hbq s ASP 156 CO -0.08 -0.46 1.09 -0.83 0.21 0.00 0.00 175.17 175.10 3hbq s GLY 157 N 1.48 1.56 0.49 0.21 0.00 -0.08 -4.60 107.32 106.39 3hbq s GLY 157 Ca 0.29 -0.34 0.27 0.00 0.00 0.00 0.00 44.72 44.94 3hbq s GLY 157 CO 0.09 0.28 1.85 -2.55 0.00 0.00 0.00 173.10 172.78 3hbq h PRO 158 N -1.96 0.15 -0.33 2.90 0.11 -1.85 -2.22 132.00 128.80 3hbq h PRO 158 Ca -0.55 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3hbq h PRO 158 Cb 1.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hbq h PRO 158 CO 0.57 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 3hbq n GLY 159 N -1.64 0.82 2.91 -0.55 0.00 -1.26 -4.88 105.19 100.59 3hbq n GLY 159 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3hbq n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbq n GLY 160 N 1.20 2.89 3.75 -0.02 0.00 -0.84 -5.03 105.19 107.14 3hbq n GLY 160 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3hbq n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hbq s GLY 161 N -1.98 2.74 -0.13 -0.02 0.00 -1.26 -4.84 107.32 101.82 3hbq s GLY 161 Ca 0.00 1.02 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 3hbq s GLY 161 CO 0.00 1.42 -0.08 -1.08 0.00 0.00 0.00 173.10 173.36 3hbq s THR 162 N -1.59 3.50 0.23 0.90 -1.32 -1.26 -0.90 115.64 115.20 3hbq s THR 162 Ca 0.78 -0.51 0.05 0.00 -1.21 0.00 0.00 61.69 60.80 3hbq s THR 162 Cb -0.31 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 3hbq s THR 162 CO 0.34 0.52 0.35 -0.22 -2.21 0.00 0.00 174.62 173.40 3hbq s LEU 163 N 0.22 4.30 -0.22 9.08 2.96 -0.09 -4.93 118.68 130.00 3hbq s LEU 163 Ca -0.05 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3hbq s LEU 163 Cb -0.15 -2.84 0.11 0.00 0.50 0.00 0.00 46.19 43.82 3hbq s LEU 163 CO 0.04 -0.06 0.39 -0.55 -1.32 0.00 0.00 176.35 174.85 3hbq s SER 164 N -3.91 0.05 -0.14 3.68 0.15 -1.26 -1.15 113.70 111.11 3hbq s SER 164 Ca 0.34 0.53 -0.04 0.00 0.70 0.00 0.00 55.95 57.48 3hbq s SER 164 Cb -0.09 1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 65.37 3hbq s SER 164 CO 0.29 -0.27 0.00 -0.76 1.20 0.00 0.00 173.24 173.70 3hbq s LEU 165 N 2.57 3.51 0.67 3.45 1.43 0.12 -4.89 118.68 125.53 3hbq s LEU 165 Ca 0.07 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3hbq s LEU 165 Cb -0.14 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.25 3hbq s LEU 165 CO -0.14 0.24 1.04 -0.94 0.23 0.00 0.00 176.35 176.77 3hbq s SER 166 N -0.02 5.50 0.26 2.29 1.04 -1.26 0.10 113.70 121.60 3hbq s SER 166 Ca 0.03 1.01 -0.04 0.00 0.48 0.00 0.00 55.95 57.43 3hbq s SER 166 Cb -0.13 -1.87 0.32 0.00 0.10 0.00 0.00 66.02 64.45 3hbq s SER 166 CO 0.02 -1.25 1.86 0.25 0.98 0.00 0.00 173.24 175.10 3hbq h LEU 167 N -0.50 0.96 -1.19 2.42 5.85 -1.84 -2.33 115.31 118.69 3hbq h LEU 167 Ca -0.45 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 3hbq h LEU 167 Cb 1.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3hbq h LEU 167 CO 0.63 0.82 0.16 0.00 -0.34 0.00 0.00 178.44 179.70 3hbq h ALA 168 N 1.33 1.35 0.13 1.25 0.00 -1.93 -2.97 119.26 118.42 3hbq h ALA 168 Ca 0.26 -0.16 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 3hbq h ALA 168 Cb 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hbq h ALA 168 CO -0.03 0.47 -1.24 1.49 0.00 0.00 0.00 179.25 179.94 3hbq h GLU 169 N 0.71 0.28 0.00 0.00 4.81 -1.87 -2.43 114.58 116.08 3hbq h GLU 169 Ca 0.17 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 3hbq h GLU 169 Cb 0.21 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3hbq h GLU 169 CO -0.01 1.23 -0.07 1.25 -0.73 0.00 0.00 179.01 180.68 3hbq h LEU 170 N 0.08 0.00 0.00 1.64 5.85 -1.39 0.28 115.31 121.77 3hbq h LEU 170 Ca -0.14 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3hbq h LEU 170 Cb 1.97 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.99 3hbq h LEU 170 CO 0.21 0.07 -0.70 0.03 -0.34 0.00 0.00 178.44 177.71 3hbq h ARG 171 N 0.00 0.00 0.00 1.25 3.08 -1.29 -3.37 114.38 114.06 3hbq h ARG 171 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3hbq h ARG 171 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hbq h ARG 171 CO 0.01 0.40 -1.35 -1.13 -1.07 0.00 0.00 179.97 176.83 3hbq n SER 172 N -3.11 3.56 -0.35 7.04 3.41 -0.91 -4.53 113.62 118.72 3hbq n SER 172 Ca -0.01 -0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.68 3hbq n SER 172 Cb 0.74 0.01 0.29 0.00 -0.26 0.00 0.00 64.21 64.98 3hbq n SER 172 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hbq h ARG 173 N 0.00 0.84 -5.70 4.33 3.08 -0.70 -3.44 114.38 112.79 3hbq h ARG 173 Ca -0.14 -0.05 -0.67 0.00 0.07 0.00 0.00 59.98 59.20 3hbq h ARG 173 Cb 1.23 -0.19 -0.24 0.00 0.08 0.00 0.00 29.97 30.85 3hbq h ARG 173 CO -0.02 0.55 -0.73 -0.06 -1.07 0.00 0.00 179.97 178.64 3hbq s PHE 174 N -5.88 2.85 0.08 3.04 0.08 -1.26 -5.07 117.98 111.82 3hbq s PHE 174 Ca -0.11 -0.34 -0.31 0.00 0.12 0.00 0.00 56.93 56.29 3hbq s PHE 174 Cb 0.24 -1.79 -0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3hbq s PHE 174 CO 0.80 0.01 1.80 -2.14 -0.10 0.00 0.00 175.22 175.60 3hbq s PRO 175 N -0.11 4.16 0.28 0.24 0.02 -1.26 -4.85 135.00 133.47 3hbq s PRO 175 Ca -0.00 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 3hbq s PRO 175 Cb -0.13 -3.74 -0.11 0.00 0.02 0.00 0.00 34.50 30.53 3hbq s PRO 175 CO 0.03 -0.84 1.60 0.21 -0.33 0.00 0.00 177.00 177.67 3hbq s LYS 176 N 3.16 4.13 0.01 5.54 2.20 -1.26 -4.51 119.74 129.00 3hbq s LYS 176 Ca 0.80 2.57 0.05 0.00 -0.36 0.00 0.00 55.97 59.03 3hbq s LYS 176 Cb -0.43 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3hbq s LYS 176 CO 0.36 -0.64 -0.15 -1.58 -0.36 0.00 0.00 175.35 172.98 3hbq s HIS 177 N 0.11 1.37 0.01 4.03 5.65 -0.63 -4.93 115.29 120.90 3hbq s HIS 177 Ca 0.64 -0.29 0.04 0.00 0.25 0.00 0.00 55.06 55.71 3hbq s HIS 177 Cb -0.48 -0.86 -0.03 0.00 -1.18 0.00 0.00 32.58 30.03 3hbq s HIS 177 CO 0.46 0.00 -0.10 -1.21 -0.65 0.00 0.00 174.74 173.24 3hbq s GLU 178 N -0.61 2.41 -0.10 2.88 2.02 -1.26 -1.93 118.70 122.11 3hbq s GLU 178 Ca 0.05 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.19 3hbq s GLU 178 Cb -0.07 -2.40 0.05 0.00 0.10 0.00 0.00 34.13 31.81 3hbq s GLU 178 CO 0.00 0.58 0.23 0.08 0.02 0.00 0.00 175.26 176.17 3hbq s VAL 179 N -0.97 -0.09 -0.32 2.63 1.01 -0.05 -4.99 120.40 117.64 3hbq s VAL 179 Ca 0.16 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 3hbq s VAL 179 Cb -0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 3hbq s VAL 179 CO 0.07 0.07 0.29 -0.89 0.00 0.00 0.00 175.10 174.63 3hbq s THR 180 N 1.40 5.24 -0.03 3.92 2.01 -1.26 0.12 115.64 127.03 3hbq s THR 180 Ca -0.08 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 3hbq s THR 180 Cb -0.11 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.71 3hbq s THR 180 CO -0.08 0.05 0.10 0.00 -0.69 0.00 0.00 174.62 174.00 3hbq s ALA 181 N 1.87 -0.25 -0.09 7.40 0.00 -0.66 -3.88 121.76 126.16 3hbq s ALA 181 Ca 0.09 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 3hbq s ALA 181 Cb -0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3hbq s ALA 181 CO 0.11 -0.06 0.53 0.99 0.00 0.00 0.00 175.76 177.33 3hbq s THR 182 N -0.07 5.12 -0.14 0.00 2.01 -0.56 -2.82 115.64 119.18 3hbq s THR 182 Ca -0.01 1.08 -0.06 0.00 0.31 0.00 0.00 61.69 63.01 3hbq s THR 182 Cb -0.01 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 3hbq s THR 182 CO 0.00 0.33 0.09 -0.76 -0.69 0.00 0.00 174.62 173.59 3hbq s LEU 183 N 0.50 4.05 -0.06 4.42 1.43 0.19 -4.65 118.68 124.55 3hbq s LEU 183 Ca 0.29 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.67 3hbq s LEU 183 Cb -0.16 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.09 3hbq s LEU 183 CO 0.13 0.31 -0.07 -1.58 0.23 0.00 0.00 176.35 175.36 3hbq s GLN 184 N -0.43 1.20 0.39 1.70 0.74 -1.26 -1.24 119.66 120.75 3hbq s GLN 184 Ca 0.10 -0.22 -0.27 0.00 0.05 0.00 0.00 55.36 55.03 3hbq s GLN 184 Cb -0.12 -1.14 -0.09 0.00 1.10 0.00 0.00 33.01 32.76 3hbq s GLN 184 CO 0.02 -0.08 1.33 0.00 -0.55 0.00 0.00 175.29 176.01 3hbq s ALA 185 N 1.00 3.35 0.33 1.58 0.00 0.70 -2.01 121.76 126.70 3hbq s ALA 185 Ca -0.09 1.30 0.10 0.00 0.00 0.00 0.00 51.96 53.26 3hbq s ALA 185 Cb -0.14 -3.51 0.87 0.00 0.00 0.00 0.00 23.12 20.34 3hbq s ALA 185 CO 0.00 -0.84 1.76 0.00 0.00 0.00 0.00 175.76 176.68 3hbq h ALA 186 N 2.85 1.82 -0.78 0.00 0.00 -1.96 -1.44 119.26 119.75 3hbq h ALA 186 Ca -0.50 0.10 -0.38 0.00 0.00 0.00 0.00 54.91 54.13 3hbq h ALA 186 Cb 1.24 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 3hbq h ALA 186 CO 0.63 -0.24 0.40 0.41 0.00 0.00 0.00 179.25 180.45 3hbq n GLY 187 N -1.34 4.49 3.70 0.00 0.00 -1.26 -1.98 105.19 108.80 3hbq n GLY 187 Ca 0.25 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 3hbq n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hbq n ASN 188 N -1.01 2.35 -1.47 1.61 5.15 -0.55 -1.84 115.26 119.51 3hbq n ASN 188 Ca 0.50 1.03 -0.16 0.00 -0.60 0.00 0.00 54.58 55.35 3hbq n ASN 188 Cb 1.46 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 39.16 3hbq n ASN 188 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hbq n ARG 189 N -0.40 -1.15 -0.15 1.20 1.74 0.15 -4.19 116.66 113.85 3hbq n ARG 189 Ca 0.09 0.91 0.02 0.00 -0.77 0.00 0.00 57.85 58.09 3hbq n ARG 189 Cb 0.42 -5.16 0.30 0.00 -1.02 0.00 0.00 32.46 27.00 3hbq n ARG 189 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3hbq h ARG 190 N 0.00 0.85 -0.83 5.56 2.43 -1.28 -3.15 114.38 117.97 3hbq h ARG 190 Ca -0.34 -0.05 0.16 0.00 -0.81 0.00 0.00 59.98 58.93 3hbq h ARG 190 Cb 1.14 -0.19 -0.15 0.00 -0.42 0.00 0.00 29.97 30.34 3hbq h ARG 190 CO 0.45 0.57 -0.26 0.77 -1.51 0.00 0.00 179.97 179.98 3hbq h SER 191 N 0.88 -0.96 -0.01 -3.80 0.02 -1.54 0.24 113.55 108.37 3hbq h SER 191 Ca 0.24 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.43 3hbq h SER 191 Cb -0.10 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3hbq h SER 191 CO -0.05 -0.29 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.00 3hbq h GLU 192 N -0.03 0.11 -0.15 3.45 5.08 -1.84 -1.63 114.58 119.56 3hbq h GLU 192 Ca 0.37 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.62 3hbq h GLU 192 Cb 0.60 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3hbq h GLU 192 CO -0.86 0.14 -0.26 1.98 -1.00 0.00 0.00 179.01 179.01 3hbq h MET 193 N 0.11 0.45 -0.63 2.33 4.05 -0.66 -3.17 114.93 117.39 3hbq h MET 193 Ca 0.03 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 3hbq h MET 193 Cb 0.11 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 3hbq h MET 193 CO 0.00 0.87 0.40 0.77 0.23 0.00 0.00 176.91 179.19 3hbq h SER 194 N 0.06 0.73 -1.02 1.39 0.02 -1.00 0.13 113.55 113.87 3hbq h SER 194 Ca 0.01 -0.03 0.27 0.00 -0.84 0.00 0.00 61.79 61.20 3hbq h SER 194 Cb 0.84 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.13 3hbq h SER 194 CO 0.06 0.54 0.68 0.03 -1.14 0.00 0.00 176.83 177.00 3hbq h ARG 195 N 0.86 0.27 0.03 3.45 3.08 -1.28 -2.87 114.38 117.91 3hbq h ARG 195 Ca 0.23 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 3hbq h ARG 195 Cb -0.08 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 29.92 3hbq h ARG 195 CO -0.05 0.18 -0.28 0.28 -1.07 0.00 0.00 179.97 179.04 3hbq h VAL 196 N 0.28 1.62 -2.52 2.04 2.07 -0.81 -3.47 116.25 115.47 3hbq h VAL 196 Ca 0.54 -2.18 -0.09 0.00 0.82 0.00 0.00 66.70 65.79 3hbq h VAL 196 Cb 1.59 3.05 -0.24 0.00 -1.52 0.00 0.00 31.29 34.17 3hbq h VAL 196 CO -0.19 0.59 -0.17 -0.60 0.02 0.00 0.00 177.57 177.23 3hbq s ARG 197 N -2.71 0.54 0.39 1.57 3.52 -1.01 -5.13 118.95 116.11 3hbq s ARG 197 Ca -0.16 0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 55.93 3hbq s ARG 197 Cb -0.00 0.18 -0.11 0.00 -1.56 0.00 0.00 34.95 33.46 3hbq s ARG 197 CO 0.74 -0.10 1.41 -2.30 -0.81 0.00 0.00 175.30 174.24 3hbq n PRO 198 N 3.38 2.40 -4.49 5.12 -0.02 -1.23 -3.69 135.00 136.47 3hbq n PRO 198 Ca -0.17 0.84 -0.23 0.00 -2.02 0.00 0.00 63.50 61.92 3hbq n PRO 198 Cb 0.56 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 3hbq n PRO 198 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hbq s VAL 199 N -1.14 1.69 -0.24 -1.45 -7.23 -1.26 -4.97 120.40 105.80 3hbq s VAL 199 Ca 0.56 -2.08 -0.08 0.00 -1.81 0.00 0.00 61.98 58.57 3hbq s VAL 199 Cb -0.49 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 3hbq s VAL 199 CO 0.62 -0.15 0.11 -0.54 -0.31 0.00 0.00 175.10 174.82 3hbq s LYS 200 N -3.75 3.82 0.00 4.82 1.02 -1.25 -5.02 119.74 119.37 3hbq s LYS 200 Ca 0.33 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.92 3hbq s LYS 200 Cb 0.06 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3hbq s LYS 200 CO 0.15 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 3hbq n GLY 201 N 4.67 2.56 3.69 -3.33 0.00 -1.26 -4.74 105.19 106.79 3hbq n GLY 201 Ca -0.16 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 3hbq n GLY 201 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbq n LEU 202 N 0.00 3.44 -3.54 0.99 4.77 -1.26 -4.87 117.00 116.52 3hbq n LEU 202 Ca 0.00 1.12 -0.40 0.00 -0.03 0.00 0.00 56.01 56.69 3hbq n LEU 202 Cb 0.00 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 39.61 3hbq n LEU 202 CO 0.00 -0.24 2.52 -0.81 -1.33 0.00 0.00 177.39 177.52 3hbq n PRO 203 N 2.61 4.12 -1.59 3.23 -0.04 -1.26 -4.87 135.00 137.20 3hbq n PRO 203 Ca 0.13 -3.19 -0.41 0.00 -0.04 0.00 0.00 63.50 60.00 3hbq n PRO 203 Cb 0.32 -2.76 0.02 0.00 -0.04 0.00 0.00 33.50 31.04 3hbq n PRO 203 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3hbq n TRP 204 N 2.79 0.87 0.00 0.54 7.02 -1.26 -4.63 117.44 122.76 3hbq n TRP 204 Ca 0.60 0.53 0.00 0.00 -1.02 0.00 0.00 57.50 57.61 3hbq n TRP 204 Cb 0.28 -2.18 0.00 0.00 -2.42 0.00 0.00 31.31 26.99 3hbq n TRP 204 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3hbq n ASP 205 N 0.34 0.00 -0.15 -0.99 2.03 -1.26 -1.53 116.55 114.99 3hbq n ASP 205 Ca 0.10 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.55 3hbq n ASP 205 Cb 0.41 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.53 3hbq n ASP 205 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3hbq n ILE 206 N 0.00 0.02 0.37 5.18 -5.35 -1.26 -0.67 119.36 117.64 3hbq n ILE 206 Ca 0.00 -0.09 0.09 0.00 -0.27 0.00 0.00 62.75 62.49 3hbq n ILE 206 Cb 0.00 -0.16 0.15 0.00 -1.74 0.00 0.00 39.64 37.88 3hbq n ILE 206 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hbq n GLY 207 N 1.00 1.27 2.47 3.28 0.00 -1.26 -4.71 105.19 107.24 3hbq n GLY 207 Ca 0.20 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3hbq n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbq n ALA 208 N 1.10 6.69 -3.61 4.61 0.00 -1.26 -4.49 120.51 123.54 3hbq n ALA 208 Ca 0.14 -3.51 -0.10 0.00 0.00 0.00 0.00 53.44 49.96 3hbq n ALA 208 Cb 0.49 -3.41 -0.06 0.00 0.00 0.00 0.00 19.45 16.48 3hbq n ALA 208 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3hbq s ILE 209 N 2.63 0.00 0.17 0.00 2.07 -1.26 -0.21 121.20 124.60 3hbq s ILE 209 Ca 0.61 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.61 3hbq s ILE 209 Cb 0.16 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.81 3hbq s ILE 209 CO -0.06 0.00 0.76 -0.44 -1.91 0.00 0.00 174.94 173.29 3hbq s SER 210 N -0.25 -0.35 0.00 4.50 0.01 -0.37 -4.58 113.70 112.65 3hbq s SER 210 Ca 0.01 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.01 3hbq s SER 210 Cb -0.03 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 3hbq s SER 210 CO -0.02 -1.02 -0.09 -0.89 0.41 0.00 0.00 173.24 171.62 3hbq s THR 211 N -3.61 0.72 0.01 1.44 2.01 -1.26 -0.63 115.64 114.33 3hbq s THR 211 Ca 0.07 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.39 3hbq s THR 211 Cb -0.03 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.90 3hbq s THR 211 CO -0.03 0.14 0.45 0.00 -0.69 0.00 0.00 174.62 174.49 3hbq s ALA 212 N -0.35 -1.13 -0.47 7.40 0.00 -1.13 -0.11 121.76 125.98 3hbq s ALA 212 Ca 0.02 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 3hbq s ALA 212 Cb -0.04 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.34 3hbq s ALA 212 CO -0.00 -0.40 0.71 0.50 0.00 0.00 0.00 175.76 176.56 3hbq s ARG 213 N -1.98 3.28 0.27 0.00 3.52 -1.26 -1.65 118.95 121.13 3hbq s ARG 213 Ca -0.08 -0.40 -0.07 0.00 -0.13 0.00 0.00 55.73 55.05 3hbq s ARG 213 Cb -0.02 -3.99 -0.06 0.00 -1.56 0.00 0.00 34.95 29.33 3hbq s ARG 213 CO 0.01 -1.13 0.56 -1.58 -0.81 0.00 0.00 175.30 172.35 3hbq s TRP 214 N 3.02 3.46 -0.04 5.12 0.52 0.12 -0.95 118.94 130.19 3hbq s TRP 214 Ca 0.24 0.74 -0.03 0.00 0.02 0.00 0.00 56.10 57.06 3hbq s TRP 214 Cb -0.14 -2.17 0.01 0.00 -1.15 0.00 0.00 33.47 30.02 3hbq s TRP 214 CO 0.18 0.19 0.10 0.20 0.02 0.00 0.00 176.95 177.65 3hbq s GLY 215 N -2.88 -0.07 0.00 0.98 0.00 -0.64 -0.87 107.32 103.84 3hbq s GLY 215 Ca 0.45 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.49 3hbq s GLY 215 CO 0.27 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.29 3hbq n GLY 216 N 3.14 -0.58 3.79 0.20 0.00 -0.81 -1.15 105.19 109.78 3hbq n GLY 216 Ca -0.14 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 3hbq n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbq s ALA 217 N -1.00 2.96 0.06 4.61 0.00 -0.82 -1.60 121.76 125.96 3hbq s ALA 217 Ca 0.00 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 3hbq s ALA 217 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3hbq s ALA 217 CO 0.00 -0.29 1.01 1.03 0.00 0.00 0.00 175.76 177.51 3hbq s ARG 218 N -2.93 4.60 0.24 0.00 0.52 -1.26 -0.05 118.95 120.05 3hbq s ARG 218 Ca 0.64 1.50 -0.07 0.00 -0.52 0.00 0.00 55.73 57.27 3hbq s ARG 218 Cb -0.19 -3.40 0.24 0.00 0.52 0.00 0.00 34.95 32.12 3hbq s ARG 218 CO 0.23 0.03 1.90 1.25 0.02 0.00 0.00 175.30 178.73 3hbq h LEU 219 N 6.24 1.02 -0.63 2.53 5.85 -1.31 -1.20 115.31 127.81 3hbq h LEU 219 Ca -0.42 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.40 3hbq h LEU 219 Cb 1.22 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.91 3hbq h LEU 219 CO 0.74 0.73 0.12 -0.09 -0.34 0.00 0.00 178.44 179.60 3hbq h ARG 220 N 1.20 0.24 -0.06 1.25 2.43 -1.75 -0.39 114.38 117.30 3hbq h ARG 220 Ca 0.34 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3hbq h ARG 220 Cb -0.10 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3hbq h ARG 220 CO -0.09 0.16 0.03 -0.44 -1.51 0.00 0.00 179.97 178.12 3hbq h ASP 221 N 0.25 0.08 -0.65 -3.80 3.32 -1.57 -0.73 116.42 113.31 3hbq h ASP 221 Ca 0.34 -0.13 0.10 0.00 0.02 0.00 0.00 57.03 57.35 3hbq h ASP 221 Cb 0.52 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 3hbq h ASP 221 CO -0.44 0.19 0.27 0.58 -1.72 0.00 0.00 179.24 178.12 3hbq h VAL 222 N -0.04 0.78 0.25 -1.35 2.07 -0.80 0.32 116.25 117.47 3hbq h VAL 222 Ca 0.02 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3hbq h VAL 222 Cb 0.13 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3hbq h VAL 222 CO -0.00 0.08 -0.12 -0.07 0.02 0.00 0.00 177.57 177.48 3hbq h LEU 223 N 0.46 -0.28 -0.87 2.57 3.38 -0.83 -0.61 115.31 119.13 3hbq h LEU 223 Ca 0.33 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.32 3hbq h LEU 223 Cb 0.40 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 3hbq h LEU 223 CO -0.31 -0.01 0.45 -0.07 0.09 0.00 0.00 178.44 178.59 3hbq h LEU 224 N -0.56 0.52 -1.28 1.67 3.38 -0.81 0.25 115.31 118.47 3hbq h LEU 224 Ca -0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hbq h LEU 224 Cb 0.41 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3hbq h LEU 224 CO 0.06 0.19 0.35 -0.74 0.09 0.00 0.00 178.44 178.38 3hbq h HIS 225 N 0.60 0.82 0.00 1.13 2.76 -0.04 -0.76 115.15 119.65 3hbq h HIS 225 Ca 0.49 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 3hbq h HIS 225 Cb 0.74 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3hbq h HIS 225 CO -0.09 0.56 0.00 0.00 -1.30 0.00 0.00 177.93 177.10 3hbq n ALA 226 N -2.44 1.95 0.00 5.26 0.00 0.81 -4.86 120.51 121.23 3hbq n ALA 226 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hbq n ALA 226 Cb 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3hbq n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbq n GLY 227 N 0.41 1.17 3.75 0.00 0.00 -0.29 -4.40 105.19 105.83 3hbq n GLY 227 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3hbq n GLY 227 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbq s PHE 228 N -2.00 2.42 0.75 1.61 0.08 -1.10 -4.85 117.98 114.87 3hbq s PHE 228 Ca 0.00 1.58 -0.07 0.00 0.12 0.00 0.00 56.93 58.56 3hbq s PHE 228 Cb 0.00 -3.25 0.10 0.00 -0.57 0.00 0.00 43.02 39.30 3hbq s PHE 228 CO 0.00 -2.00 1.05 -1.25 -0.10 0.00 0.00 175.22 172.93 3hbq s PRO 229 N -4.12 1.84 0.47 0.24 0.04 -1.26 -4.46 135.00 127.74 3hbq s PRO 229 Ca 0.69 -0.47 0.18 0.00 0.04 0.00 0.00 61.00 61.43 3hbq s PRO 229 Cb -0.23 -2.16 1.12 0.00 0.04 0.00 0.00 34.50 33.27 3hbq s PRO 229 CO 0.44 -1.46 2.02 0.93 0.04 0.00 0.00 177.00 178.96 3hbq h GLU 230 N -0.74 0.00 -2.98 4.56 4.39 -1.98 -3.44 114.58 114.39 3hbq h GLU 230 Ca -0.43 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.08 3hbq h GLU 230 Cb 1.29 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.64 3hbq h GLU 230 CO 0.52 0.17 -0.48 -2.00 -1.16 0.00 0.00 179.01 176.06 3hbq s GLU 231 N -4.54 0.21 0.09 2.33 2.12 -1.26 -4.91 118.70 112.74 3hbq s GLU 231 Ca -0.04 0.57 0.05 0.00 0.36 0.00 0.00 54.97 55.92 3hbq s GLU 231 Cb 0.15 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 3hbq s GLU 231 CO 0.67 -0.18 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.68 3hbq s LEU 232 N 1.41 3.37 -0.24 2.70 1.43 -1.26 -5.09 118.68 120.99 3hbq s LEU 232 Ca -0.08 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3hbq s LEU 232 Cb -0.10 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3hbq s LEU 232 CO -0.09 0.18 1.11 -1.58 0.23 0.00 0.00 176.35 176.20 3hbq s GLN 233 N -2.26 4.18 0.00 1.70 2.00 -1.26 -4.86 119.66 119.17 3hbq s GLN 233 Ca 0.25 1.34 0.00 0.00 -2.00 0.00 0.00 55.36 54.95 3hbq s GLN 233 Cb -0.12 -3.70 0.00 0.00 0.80 0.00 0.00 33.01 29.99 3hbq s GLN 233 CO 0.17 -0.75 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 3hbq n GLY 234 N 3.58 -1.04 3.58 2.59 0.00 -1.26 -4.91 105.19 107.73 3hbq n GLY 234 Ca 0.13 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 3hbq n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbq s GLU 235 N 0.00 3.85 0.24 1.61 0.41 -1.26 -5.06 118.70 118.49 3hbq s GLU 235 Ca 0.00 -0.31 0.09 0.00 -0.41 0.00 0.00 54.97 54.34 3hbq s GLU 235 Cb 0.00 -3.70 -0.05 0.00 -1.78 0.00 0.00 34.13 28.60 3hbq s GLU 235 CO 0.00 -0.28 -0.15 -1.58 -0.49 0.00 0.00 175.26 172.76 3hbq s TRP 236 N 1.84 1.93 0.02 1.61 0.52 -1.26 -4.64 118.94 118.97 3hbq s TRP 236 Ca 0.09 -0.50 0.01 0.00 0.02 0.00 0.00 56.10 55.71 3hbq s TRP 236 Cb -0.16 -0.90 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 3hbq s TRP 236 CO 0.11 0.47 -0.05 -1.01 0.02 0.00 0.00 176.95 176.49 3hbq s HIS 237 N -2.82 0.40 -0.23 -1.98 3.76 0.19 -1.14 115.29 113.49 3hbq s HIS 237 Ca 0.26 -0.44 -0.07 0.00 -0.15 0.00 0.00 55.06 54.66 3hbq s HIS 237 Cb -0.02 -0.26 -0.03 0.00 1.11 0.00 0.00 32.58 33.39 3hbq s HIS 237 CO 0.10 -0.12 0.05 0.08 -0.85 0.00 0.00 174.74 174.00 3hbq s VAL 238 N -1.20 4.23 -0.12 -0.90 1.01 0.15 0.47 120.40 124.03 3hbq s VAL 238 Ca -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 3hbq s VAL 238 Cb -0.09 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3hbq s VAL 238 CO -0.00 0.38 -0.02 0.00 0.00 0.00 0.00 175.10 175.46 3hbq s PHE 240 N -0.23 2.56 0.04 0.00 0.08 -0.21 -0.59 117.98 119.64 3hbq s PHE 240 Ca 0.05 -0.30 0.09 0.00 0.12 0.00 0.00 56.93 56.88 3hbq s PHE 240 Cb -0.13 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 3hbq s PHE 240 CO 0.02 0.07 -0.25 -1.21 -0.10 0.00 0.00 175.22 173.75 3hbq s GLU 241 N -0.62 1.86 0.60 0.44 2.02 -0.68 -2.63 118.70 119.69 3hbq s GLU 241 Ca 0.09 -1.08 0.04 0.00 0.02 0.00 0.00 54.97 54.04 3hbq s GLU 241 Cb -0.11 -2.02 0.08 0.00 0.10 0.00 0.00 34.13 32.18 3hbq s GLU 241 CO 0.00 0.52 0.83 0.20 0.02 0.00 0.00 175.26 176.84 3hbq s GLY 242 N -1.24 1.79 0.15 -1.39 0.00 -0.34 -0.25 107.32 106.04 3hbq s GLY 242 Ca 0.12 -1.74 0.10 0.00 0.00 0.00 0.00 44.72 43.20 3hbq s GLY 242 CO 0.02 -1.32 1.26 1.41 0.00 0.00 0.00 173.10 174.47 3hbq h LEU 243 N -0.05 0.00 -9.44 0.66 3.38 -0.92 -3.42 115.31 105.51 3hbq h LEU 243 Ca -0.36 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.07 3hbq h LEU 243 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 3hbq h LEU 243 CO 0.44 0.85 0.80 1.51 0.09 0.00 0.00 178.44 182.12 3hbq s ASP 244 N -6.55 6.83 0.21 -0.43 -4.77 -1.26 -4.97 116.67 105.73 3hbq s ASP 244 Ca 0.01 2.21 0.05 0.00 -3.30 0.00 0.00 52.55 51.52 3hbq s ASP 244 Cb 0.09 -2.57 -0.05 0.00 -1.09 0.00 0.00 42.92 39.30 3hbq s ASP 244 CO 0.80 -0.70 -0.05 0.00 0.70 0.00 0.00 175.17 175.92 3hbq s ALA 245 N 1.92 1.82 0.98 2.11 0.00 -1.26 -2.50 121.76 124.82 3hbq s ALA 245 Ca 0.65 -1.70 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 3hbq s ALA 245 Cb -0.34 0.27 0.20 0.00 0.00 0.00 0.00 23.12 23.25 3hbq s ALA 245 CO 0.28 -0.15 1.21 -0.40 0.00 0.00 0.00 175.76 176.70 3hbq n ASP 246 N -0.38 0.18 -0.28 0.00 3.85 -0.46 -4.85 116.55 114.60 3hbq n ASP 246 Ca -0.07 -1.49 0.04 0.00 -0.71 0.00 0.00 54.79 52.57 3hbq n ASP 246 Cb 0.63 -0.92 0.13 0.00 -1.35 0.00 0.00 41.12 39.61 3hbq n ASP 246 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 3hbq h PRO 247 N 0.00 0.03 -1.09 0.11 0.11 -2.02 -2.69 132.00 126.45 3hbq h PRO 247 Ca -0.39 -0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.33 3hbq h PRO 247 Cb 1.10 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 3hbq h PRO 247 CO 0.28 0.02 0.49 0.41 -0.21 0.00 0.00 178.00 179.00 3hbq n GLY 248 N -1.49 4.02 1.37 -0.55 0.00 -1.26 -4.93 105.19 102.35 3hbq n GLY 248 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3hbq n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbq n GLY 249 N -0.49 2.82 3.68 -0.02 0.00 -1.01 -5.03 105.19 105.15 3hbq n GLY 249 Ca 0.41 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 3hbq n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbq s ALA 250 N -1.95 3.58 0.60 4.61 0.00 -1.26 -4.60 121.76 122.74 3hbq s ALA 250 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.70 3hbq s ALA 250 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3hbq s ALA 250 CO 0.00 -0.96 0.98 -1.25 0.00 0.00 0.00 175.76 174.52 3hbq s PRO 251 N 2.60 3.41 0.33 0.00 0.04 -1.26 -1.36 135.00 138.76 3hbq s PRO 251 Ca 0.63 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 3hbq s PRO 251 Cb -0.30 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 3hbq s PRO 251 CO 0.25 -0.57 1.06 -0.47 0.04 0.00 0.00 177.00 177.31 3hbq s TYR 252 N -3.10 3.50 0.00 0.56 5.04 -1.04 -4.90 117.35 117.41 3hbq s TYR 252 Ca 0.54 1.70 -0.20 0.00 -2.44 0.00 0.00 57.07 56.67 3hbq s TYR 252 Cb -0.11 -3.18 0.04 0.00 0.35 0.00 0.00 41.96 39.06 3hbq s TYR 252 CO 0.51 -0.46 0.44 0.20 -1.34 0.00 0.00 175.55 174.90 3hbq s GLY 253 N -1.21 -0.30 0.24 8.97 0.00 -1.26 -1.20 107.32 112.55 3hbq s GLY 253 Ca 0.50 0.54 -0.15 0.00 0.00 0.00 0.00 44.72 45.61 3hbq s GLY 253 CO 0.34 0.28 0.52 0.00 0.00 0.00 0.00 173.10 174.24 3hbq s ALA 254 N -1.79 -0.55 0.07 3.20 0.00 -1.08 -4.23 121.76 117.39 3hbq s ALA 254 Ca -0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 3hbq s ALA 254 Cb -0.02 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 3hbq s ALA 254 CO 0.03 -0.86 0.10 -1.54 0.00 0.00 0.00 175.76 173.48 3hbq s SER 255 N -2.97 0.27 0.11 0.00 1.04 -1.26 -1.04 113.70 109.85 3hbq s SER 255 Ca 0.17 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.82 3hbq s SER 255 Cb -0.01 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3hbq s SER 255 CO 0.05 -0.68 -0.08 0.27 0.98 0.00 0.00 173.24 173.79 3hbq s ILE 256 N -3.89 0.84 0.10 -1.02 -4.36 -0.42 -4.89 121.20 107.55 3hbq s ILE 256 Ca 0.06 -1.95 -0.31 0.00 -0.26 0.00 0.00 60.65 58.19 3hbq s ILE 256 Cb 0.06 -1.71 -0.09 0.00 1.25 0.00 0.00 42.46 41.97 3hbq s ILE 256 CO -0.10 -0.82 1.73 -2.84 0.24 0.00 0.00 174.94 173.14 3hbq s PRO 257 N -3.76 4.17 0.15 0.37 0.02 -1.26 -0.68 135.00 134.01 3hbq s PRO 257 Ca 0.13 2.45 -0.02 0.00 0.02 0.00 0.00 61.00 63.58 3hbq s PRO 257 Cb 0.04 -3.59 0.30 0.00 0.02 0.00 0.00 34.50 31.27 3hbq s PRO 257 CO -0.03 -0.78 0.78 0.98 -0.33 0.00 0.00 177.00 177.62 3hbq n TYR 258 N 5.60 0.24 -0.11 6.54 9.36 -0.29 -0.26 117.16 138.25 3hbq n TYR 258 Ca 0.17 0.61 -0.05 0.00 3.32 0.00 0.00 57.90 61.94 3hbq n TYR 258 Cb 0.39 -0.83 0.01 0.00 -0.63 0.00 0.00 39.34 38.28 3hbq n TYR 258 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3hbq h GLY 259 N 0.00 0.26 1.52 2.98 0.00 -1.89 -0.67 103.07 105.27 3hbq h GLY 259 Ca 0.27 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3hbq h GLY 259 CO -0.49 -0.14 0.17 -0.09 0.00 0.00 0.00 176.54 175.98 3hbq h ARG 260 N -0.01 0.62 -0.31 4.80 2.43 -0.99 -2.36 114.38 118.56 3hbq h ARG 260 Ca 0.18 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 59.09 3hbq h ARG 260 Cb 0.28 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3hbq h ARG 260 CO -0.38 0.52 -0.49 0.00 -1.51 0.00 0.00 179.97 178.10 3hbq h ALA 261 N 1.57 0.53 0.00 2.80 0.00 -0.76 -3.17 119.26 120.23 3hbq h ALA 261 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3hbq h ALA 261 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hbq h ALA 261 CO -0.01 0.68 -0.09 1.28 0.00 0.00 0.00 179.25 181.11 3hbq n LEU 262 N -4.02 0.34 -4.71 0.00 7.99 -0.42 -3.06 117.00 113.13 3hbq n LEU 262 Ca -0.04 0.46 -0.42 0.00 -0.01 0.00 0.00 56.01 56.00 3hbq n LEU 262 Cb 0.60 -0.40 -0.03 0.00 -0.11 0.00 0.00 43.42 43.48 3hbq n LEU 262 CO 0.50 -0.05 0.73 -0.55 -1.51 0.00 0.00 177.39 176.50 3hbq s SER 263 N -3.54 7.31 0.21 -1.43 0.15 -0.91 -4.83 113.70 110.66 3hbq s SER 263 Ca 0.12 1.71 -0.09 0.00 0.70 0.00 0.00 55.95 58.39 3hbq s SER 263 Cb 0.16 -2.57 0.17 0.00 -1.71 0.00 0.00 66.02 62.07 3hbq s SER 263 CO 0.58 -0.31 1.84 -0.65 1.20 0.00 0.00 173.24 175.89 3hbq h PRO 264 N 6.83 1.10 0.00 5.44 0.11 -1.90 -2.77 132.00 140.81 3hbq h PRO 264 Ca -0.40 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3hbq h PRO 264 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hbq h PRO 264 CO 0.77 0.81 0.00 0.00 -0.21 0.00 0.00 178.00 179.37 3hbq h ALA 265 N 1.23 1.00 0.00 -0.75 0.00 -1.95 -2.89 119.26 115.90 3hbq h ALA 265 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hbq h ALA 265 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hbq h ALA 265 CO -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 3hbq n ALA 266 N -1.98 2.42 -3.41 0.00 0.00 -1.05 -4.93 120.51 111.57 3hbq n ALA 266 Ca 0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 3hbq n ALA 266 Cb 0.28 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.31 3hbq n ALA 266 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hbq n ASP 267 N -1.70 -4.73 -4.65 0.00 8.00 -1.09 -4.44 116.55 107.94 3hbq n ASP 267 Ca 0.06 -0.46 -0.43 0.00 0.71 0.00 0.00 54.79 54.67 3hbq n ASP 267 Cb 0.36 -3.84 -0.02 0.00 -0.02 0.00 0.00 41.12 37.60 3hbq n ASP 267 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hbq s VAL 268 N -3.10 4.48 0.09 2.53 1.01 -1.26 -4.52 120.40 119.63 3hbq s VAL 268 Ca 0.45 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.19 3hbq s VAL 268 Cb -0.22 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 3hbq s VAL 268 CO 0.55 -0.32 0.17 -0.76 0.00 0.00 0.00 175.10 174.74 3hbq s LEU 269 N 3.57 4.12 -0.74 3.92 1.43 -0.74 -0.90 118.68 129.33 3hbq s LEU 269 Ca 0.48 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.61 3hbq s LEU 269 Cb -0.15 -2.74 0.19 0.00 0.03 0.00 0.00 46.19 43.52 3hbq s LEU 269 CO 0.13 0.14 0.63 -0.76 0.23 0.00 0.00 176.35 176.71 3hbq s LEU 270 N -2.67 6.02 0.33 1.79 1.43 0.93 -0.28 118.68 126.23 3hbq s LEU 270 Ca 0.33 -2.82 -0.22 0.00 -1.03 0.00 0.00 54.13 50.38 3hbq s LEU 270 Cb -0.12 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 3hbq s LEU 270 CO 0.26 -0.46 0.88 0.00 0.23 0.00 0.00 176.35 177.26 3hbq s ALA 271 N -0.02 3.21 0.00 4.21 0.00 0.58 -1.95 121.76 127.79 3hbq s ALA 271 Ca 0.18 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3hbq s ALA 271 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3hbq s ALA 271 CO -0.06 0.21 0.26 2.48 0.00 0.00 0.00 175.76 178.65 3hbq n TYR 272 N 0.15 0.00 -4.23 0.00 0.18 -0.30 -1.94 117.16 111.01 3hbq n TYR 272 Ca 0.03 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.62 3hbq n TYR 272 Cb 0.52 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.35 3hbq n TYR 272 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3hbq s GLU 273 N -0.01 0.87 -0.10 -3.48 2.02 -0.66 -2.27 118.70 115.06 3hbq s GLU 273 Ca 0.00 -0.90 -0.04 0.00 0.02 0.00 0.00 54.97 54.05 3hbq s GLU 273 Cb 0.00 -0.88 0.05 0.00 0.10 0.00 0.00 34.13 33.40 3hbq s GLU 273 CO 0.00 0.20 0.19 1.41 0.02 0.00 0.00 175.26 177.09 3hbq s MET 274 N -1.55 0.07 -1.55 1.61 -2.45 -0.02 -1.62 119.30 113.80 3hbq s MET 274 Ca -0.01 0.61 -0.07 0.00 -1.25 0.00 0.00 55.69 54.98 3hbq s MET 274 Cb -0.09 -0.22 0.06 0.00 1.25 0.00 0.00 34.83 35.83 3hbq s MET 274 CO 0.02 -0.31 0.48 0.09 1.05 0.00 0.00 175.02 176.35 3hbq n ASN 275 N 5.33 -1.19 0.00 1.11 3.02 -0.13 -2.22 115.26 121.19 3hbq n ASN 275 Ca -0.05 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3hbq n ASN 275 Cb 0.50 -2.66 0.00 0.00 -0.61 0.00 0.00 39.78 37.01 3hbq n ASN 275 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbq n GLY 276 N -1.85 0.71 3.44 7.41 0.00 -1.26 -4.98 105.19 108.65 3hbq n GLY 276 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 3hbq n GLY 276 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hbq s THR 277 N -2.88 0.65 0.53 2.61 -4.23 -0.94 -5.12 115.64 106.26 3hbq s THR 277 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 3hbq s THR 277 Cb 0.00 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 3hbq s THR 277 CO 0.00 0.00 1.02 -1.83 -0.54 0.00 0.00 174.62 173.27 3hbq s GLU 278 N -3.80 3.68 -0.16 3.99 -1.05 -1.26 -0.84 118.70 119.27 3hbq s GLU 278 Ca 0.31 1.15 -0.38 0.00 -0.15 0.00 0.00 54.97 55.89 3hbq s GLU 278 Cb 0.05 -2.09 -0.15 0.00 -0.44 0.00 0.00 34.13 31.50 3hbq s GLU 278 CO 0.16 -0.51 1.67 1.28 0.95 0.00 0.00 175.26 178.81 3hbq n LEU 279 N -1.57 2.40 -4.68 1.83 4.77 -0.96 -4.62 117.00 114.17 3hbq n LEU 279 Ca 0.08 1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 56.80 3hbq n LEU 279 Cb 0.53 -1.19 0.13 0.00 -2.33 0.00 0.00 43.42 40.55 3hbq n LEU 279 CO 0.45 -0.51 0.73 -2.65 -1.33 0.00 0.00 177.39 174.08 3hbq n PRO 280 N 4.85 0.19 0.02 3.23 -0.02 -1.26 -4.17 135.00 137.83 3hbq n PRO 280 Ca 0.24 0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 3hbq n PRO 280 Cb 0.17 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 3hbq n PRO 280 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hbq h ARG 281 N -0.89 -0.35 -0.16 -0.52 3.08 -1.92 -1.10 114.38 112.52 3hbq h ARG 281 Ca -0.46 0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.66 3hbq h ARG 281 Cb 1.30 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 3hbq h ARG 281 CO 0.46 -0.23 0.26 -0.44 -1.07 0.00 0.00 179.97 178.94 3hbq h ASP 282 N -0.36 0.00 -0.33 7.04 3.32 -1.96 -0.55 116.42 123.57 3hbq h ASP 282 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hbq h ASP 282 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3hbq h ASP 282 CO -0.30 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.63 3hbq n HIS 283 N -3.45 0.75 0.00 4.55 8.25 -0.73 -4.82 115.22 119.78 3hbq n HIS 283 Ca 0.01 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 3hbq n HIS 283 Cb 0.37 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3hbq n HIS 283 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hbq n GLY 284 N 0.13 1.46 3.62 -1.41 0.00 -0.22 -4.81 105.19 103.95 3hbq n GLY 284 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3hbq n GLY 284 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hbq n PHE 285 N -0.15 1.58 0.74 1.61 7.35 -0.50 -2.30 117.46 125.78 3hbq n PHE 285 Ca 0.00 0.62 0.12 0.00 -0.76 0.00 0.00 57.45 57.43 3hbq n PHE 285 Cb 0.00 -2.32 0.15 0.00 0.35 0.00 0.00 39.48 37.66 3hbq n PHE 285 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3hbq n PRO 286 N 1.31 0.18 -3.87 -7.13 -0.04 -1.26 -4.68 135.00 119.51 3hbq n PRO 286 Ca 0.11 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 3hbq n PRO 286 Cb 0.30 -1.59 -0.13 0.00 -0.04 0.00 0.00 33.50 32.04 3hbq n PRO 286 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hbq s VAL 287 N -3.11 0.02 0.08 0.52 1.01 -0.97 -4.41 120.40 113.53 3hbq s VAL 287 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 3hbq s VAL 287 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.36 3hbq s VAL 287 CO 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 175.10 175.74 3hbq s ARG 288 N -0.24 0.73 0.13 2.72 1.70 -0.82 -1.50 118.95 121.67 3hbq s ARG 288 Ca -0.03 -1.30 -0.13 0.00 -0.47 0.00 0.00 55.73 53.80 3hbq s ARG 288 Cb -0.02 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.46 3hbq s ARG 288 CO 0.00 -0.14 0.51 0.08 -1.08 0.00 0.00 175.30 174.67 3hbq s VAL 289 N -3.92 4.92 -0.16 4.99 1.01 0.56 -0.31 120.40 127.49 3hbq s VAL 289 Ca 0.12 0.71 0.01 0.00 0.00 0.00 0.00 61.98 62.82 3hbq s VAL 289 Cb 0.08 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3hbq s VAL 289 CO -0.06 0.24 -0.15 -0.69 0.00 0.00 0.00 175.10 174.44 3hbq s VAL 290 N -1.46 1.70 -0.60 2.92 1.01 0.61 -4.05 120.40 120.54 3hbq s VAL 290 Ca 0.37 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3hbq s VAL 290 Cb -0.15 -1.60 0.16 0.00 0.00 0.00 0.00 36.38 34.79 3hbq s VAL 290 CO 0.19 0.44 0.47 -0.69 0.00 0.00 0.00 175.10 175.52 3hbq s VAL 291 N 1.43 4.39 0.43 2.92 1.01 -1.26 -1.80 120.40 127.52 3hbq s VAL 291 Ca 0.04 -2.29 -0.24 0.00 0.00 0.00 0.00 61.98 59.48 3hbq s VAL 291 Cb -0.13 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 3hbq s VAL 291 CO -0.11 -0.87 1.13 -2.65 0.00 0.00 0.00 175.10 172.60 3hbq n PRO 292 N 4.27 1.58 -0.79 2.72 -0.02 -1.26 -2.99 135.00 138.51 3hbq n PRO 292 Ca 0.02 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3hbq n PRO 292 Cb 0.41 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3hbq n PRO 292 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hbq n GLY 293 N 1.02 0.88 3.55 -1.23 0.00 -1.26 -4.81 105.19 103.33 3hbq n GLY 293 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3hbq n GLY 293 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbq s VAL 294 N -3.48 1.48 0.61 1.61 -7.23 -1.16 -0.88 120.40 111.35 3hbq s VAL 294 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 3hbq s VAL 294 Cb 0.00 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3hbq s VAL 294 CO 0.00 0.00 1.19 0.54 -0.31 0.00 0.00 175.10 176.52 3hbq s VAL 295 N -3.02 2.73 0.39 1.32 0.11 0.13 -4.70 120.40 117.36 3hbq s VAL 295 Ca 0.33 0.43 0.06 0.00 -2.93 0.00 0.00 61.98 59.87 3hbq s VAL 295 Cb 0.08 -3.12 0.27 0.00 -1.53 0.00 0.00 36.38 32.09 3hbq s VAL 295 CO 0.16 -0.12 2.04 1.23 -3.33 0.00 0.00 175.10 175.07 3hbq h GLY 296 N 0.70 0.68 -0.80 6.54 0.00 -1.75 -2.96 103.07 105.49 3hbq h GLY 296 Ca -0.50 -0.25 0.26 0.00 0.00 0.00 0.00 47.33 46.85 3hbq h GLY 296 CO 0.55 0.24 1.15 0.00 0.00 0.00 0.00 176.54 178.47 3hbq h ALA 297 N 1.70 2.83 -0.13 3.60 0.00 -1.91 -0.82 119.26 124.53 3hbq h ALA 297 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hbq h ALA 297 Cb -0.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hbq h ALA 297 CO -0.04 -1.61 0.00 0.54 0.00 0.00 0.00 179.25 178.14 3hbq n ARG 298 N -3.21 2.31 -2.51 0.00 5.12 -1.12 -4.62 116.66 112.64 3hbq n ARG 298 Ca 0.20 -1.92 -0.43 0.00 -1.93 0.00 0.00 57.85 53.77 3hbq n ARG 298 Cb 1.42 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 3hbq n ARG 298 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3hbq n SER 299 N 1.26 5.22 -4.68 0.55 7.64 -0.32 -4.76 113.62 118.54 3hbq n SER 299 Ca 0.16 -3.11 -0.49 0.00 1.01 0.00 0.00 58.87 56.44 3hbq n SER 299 Cb 0.57 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.25 3hbq n SER 299 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3hbq n VAL 300 N 3.39 0.35 -3.07 0.44 0.31 -1.26 -4.45 118.33 114.04 3hbq n VAL 300 Ca 0.38 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.41 3hbq n VAL 300 Cb 0.37 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 3hbq n VAL 300 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hbq s LYS 301 N 2.90 3.27 -1.33 5.55 1.02 -1.26 -0.33 119.74 129.56 3hbq s LYS 301 Ca 0.89 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 56.54 3hbq s LYS 301 Cb -0.76 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 33.99 3hbq s LYS 301 CO 0.49 -0.12 0.61 0.91 -0.92 0.00 0.00 175.35 176.33 3hbq n TRP 302 N -2.01 -1.83 -1.72 3.18 8.01 -0.74 -4.35 117.44 117.99 3hbq n TRP 302 Ca -0.01 0.80 -0.42 0.00 -1.31 0.00 0.00 57.50 56.56 3hbq n TRP 302 Cb 0.57 -4.17 -0.03 0.00 -2.01 0.00 0.00 31.31 25.67 3hbq n TRP 302 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 3hbq s LEU 303 N -6.75 4.38 -0.00 -0.99 2.96 -0.56 -0.40 118.68 117.31 3hbq s LEU 303 Ca 0.02 2.85 0.02 0.00 -0.22 0.00 0.00 54.13 56.80 3hbq s LEU 303 Cb -0.01 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3hbq s LEU 303 CO 0.84 -0.98 0.05 -2.11 -1.32 0.00 0.00 176.35 172.82 3hbq n ARG 304 N 4.39 1.12 -3.64 1.98 1.85 0.65 -4.82 116.66 118.19 3hbq n ARG 304 Ca 0.16 -0.02 -0.15 0.00 -1.00 0.00 0.00 57.85 56.85 3hbq n ARG 304 Cb 0.36 -0.97 -0.08 0.00 -1.05 0.00 0.00 32.46 30.72 3hbq n ARG 304 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3hbq s ARG 305 N -1.98 0.80 -0.14 2.89 3.52 -1.17 -1.03 118.95 121.84 3hbq s ARG 305 Ca -0.00 0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 56.07 3hbq s ARG 305 Cb 0.01 0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 3hbq s ARG 305 CO 0.08 -0.17 -0.09 0.08 -0.81 0.00 0.00 175.30 174.39 3hbq s VAL 306 N -0.42 1.23 0.09 7.11 1.01 -0.66 -1.69 120.40 127.07 3hbq s VAL 306 Ca -0.06 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.50 3hbq s VAL 306 Cb -0.03 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3hbq s VAL 306 CO 0.04 0.31 -0.26 0.00 0.00 0.00 0.00 175.10 175.19 3hbq s ALA 307 N 1.61 2.23 -0.07 5.51 0.00 0.25 -3.10 121.76 128.18 3hbq s ALA 307 Ca 0.03 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 3hbq s ALA 307 Cb -0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3hbq s ALA 307 CO -0.09 0.51 0.03 0.08 0.00 0.00 0.00 175.76 176.29 3hbq s VAL 308 N -0.97 4.52 0.06 0.00 1.01 -1.26 0.28 120.40 124.04 3hbq s VAL 308 Ca 0.12 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 3hbq s VAL 308 Cb -0.10 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.38 3hbq s VAL 308 CO 0.04 0.55 0.46 -0.55 0.00 0.00 0.00 175.10 175.60 3hbq s SER 309 N -1.08 -0.35 0.28 3.32 0.15 0.18 -4.96 113.70 111.24 3hbq s SER 309 Ca 0.15 0.03 0.20 0.00 0.70 0.00 0.00 55.95 57.04 3hbq s SER 309 Cb -0.12 0.46 1.03 0.00 -1.71 0.00 0.00 66.02 65.69 3hbq s SER 309 CO 0.05 -0.72 1.62 -2.65 1.20 0.00 0.00 173.24 172.74 3hbq n PRO 310 N 0.36 0.14 -4.27 5.44 -0.02 -1.26 0.57 135.00 135.95 3hbq n PRO 310 Ca -0.18 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 61.72 3hbq n PRO 310 Cb 0.61 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 3hbq n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hbq s ASP 311 N -3.98 1.97 1.08 2.55 1.01 -1.26 -4.64 116.67 113.39 3hbq s ASP 311 Ca -0.01 -1.01 -0.14 0.00 0.71 0.00 0.00 52.55 52.10 3hbq s ASP 311 Cb 0.06 -0.04 0.17 0.00 1.01 0.00 0.00 42.92 44.12 3hbq s ASP 311 CO 0.23 -0.29 0.61 -0.62 0.21 0.00 0.00 175.17 175.31 3hbq n GLU 312 N -0.22 -1.52 -1.69 8.23 1.02 -1.26 -4.44 120.64 120.76 3hbq n GLU 312 Ca -0.10 -0.41 -0.42 0.00 -0.02 0.00 0.00 57.16 56.21 3hbq n GLU 312 Cb 0.60 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3hbq n GLU 312 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hbq n SER 313 N -3.19 4.07 0.00 1.62 2.88 -1.26 -4.82 113.62 112.91 3hbq n SER 313 Ca 0.04 0.99 0.06 0.00 -1.33 0.00 0.00 58.87 58.64 3hbq n SER 313 Cb 0.56 -1.56 0.29 0.00 -0.75 0.00 0.00 64.21 62.75 3hbq n SER 313 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3hbq n PRO 314 N 5.46 0.06 -1.20 -1.46 -0.04 -1.26 -4.43 135.00 132.12 3hbq n PRO 314 Ca 0.18 0.24 -0.33 0.00 -0.04 0.00 0.00 63.50 63.55 3hbq n PRO 314 Cb 0.37 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.45 3hbq n PRO 314 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hbq s SER 315 N -2.86 3.87 0.35 3.54 1.04 -1.26 -4.76 113.70 113.63 3hbq s SER 315 Ca 0.08 2.23 0.12 0.00 0.48 0.00 0.00 55.95 58.85 3hbq s SER 315 Cb 0.08 -2.57 0.90 0.00 0.10 0.00 0.00 66.02 64.54 3hbq s SER 315 CO 0.22 -2.47 1.80 -0.74 0.98 0.00 0.00 173.24 173.02 3hbq h HIS 316 N -0.87 0.85 0.00 5.02 -0.00 -1.89 -1.73 115.15 116.53 3hbq h HIS 316 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 3hbq h HIS 316 Cb 1.28 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 3hbq h HIS 316 CO 0.50 0.17 -0.54 0.91 -0.00 0.00 0.00 177.93 178.97 3hbq n TRP 317 N -4.67 0.43 0.02 5.26 8.01 -1.26 -0.28 117.44 124.95 3hbq n TRP 317 Ca 0.23 0.13 -0.04 0.00 -1.31 0.00 0.00 57.50 56.50 3hbq n TRP 317 Cb 0.67 -0.58 -0.10 0.00 -2.01 0.00 0.00 31.31 29.29 3hbq n TRP 317 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.69 177.05 3hbq h GLN 318 N 0.00 0.00 0.00 -0.99 5.75 -1.64 -3.39 115.11 114.84 3hbq h GLN 318 Ca 0.00 0.00 -0.33 0.00 -0.15 0.00 0.00 58.65 58.17 3hbq h GLN 318 Cb 0.68 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.17 3hbq h GLN 318 CO 0.00 0.47 -2.23 1.04 -2.65 0.00 0.00 178.83 175.45 3hbq n GLN 319 N -3.03 0.76 -1.58 1.69 1.13 -0.69 -4.75 117.38 110.92 3hbq n GLN 319 Ca -0.11 0.08 -0.05 0.00 -1.94 0.00 0.00 57.00 54.99 3hbq n GLN 319 Cb 0.94 -1.44 0.09 0.00 0.11 0.00 0.00 30.24 29.93 3hbq n GLN 319 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hbq n ASN 320 N -2.98 2.54 -3.62 1.08 3.02 0.62 -4.83 115.26 111.09 3hbq n ASN 320 Ca -0.35 -3.19 -0.02 0.00 -0.03 0.00 0.00 54.58 50.98 3hbq n ASN 320 Cb 0.97 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.70 3hbq n ASN 320 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hbq s ASP 321 N -3.21 -0.14 -1.27 6.41 -1.08 -1.24 -4.90 116.67 111.25 3hbq s ASP 321 Ca 0.39 -0.12 -0.03 0.00 -0.52 0.00 0.00 52.55 52.28 3hbq s ASP 321 Cb 0.38 0.23 0.01 0.00 -1.46 0.00 0.00 42.92 42.08 3hbq s ASP 321 CO -0.05 -0.41 1.00 -1.22 0.52 0.00 0.00 175.17 175.00 3hbq n TYR 322 N -0.34 -2.31 -4.19 -5.34 4.01 -1.26 -4.63 117.16 103.10 3hbq n TYR 322 Ca -0.05 0.94 -0.15 0.00 -0.16 0.00 0.00 57.90 58.48 3hbq n TYR 322 Cb 0.61 -4.93 -0.11 0.00 -0.31 0.00 0.00 39.34 34.61 3hbq n TYR 322 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3hbq s LYS 323 N -5.72 0.89 -0.09 -0.72 1.02 -1.26 -1.20 119.74 112.66 3hbq s LYS 323 Ca 0.16 -1.20 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 3hbq s LYS 323 Cb -0.07 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 36.64 3hbq s LYS 323 CO 0.75 0.09 -0.06 0.20 -0.92 0.00 0.00 175.35 175.40 3hbq s GLY 324 N -2.54 1.70 0.35 -3.33 0.00 -1.26 -4.91 107.32 97.33 3hbq s GLY 324 Ca 0.07 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.98 3hbq s GLY 324 CO 0.00 -0.52 0.01 -1.36 0.00 0.00 0.00 173.10 171.23 3hbq s PHE 325 N -0.53 2.19 0.79 1.90 0.08 -1.26 -4.86 117.98 116.30 3hbq s PHE 325 Ca 0.08 -0.77 -0.14 0.00 0.12 0.00 0.00 56.93 56.22 3hbq s PHE 325 Cb -0.12 -1.44 0.06 0.00 -0.57 0.00 0.00 43.02 40.96 3hbq s PHE 325 CO 0.02 0.26 1.13 0.45 -0.10 0.00 0.00 175.22 176.98 3hbq n SER 326 N -0.78 0.85 0.08 1.36 2.88 -1.26 -4.68 113.62 112.07 3hbq n SER 326 Ca -0.04 0.60 0.09 0.00 -1.33 0.00 0.00 58.87 58.19 3hbq n SER 326 Cb 0.66 -1.48 0.39 0.00 -0.75 0.00 0.00 64.21 63.03 3hbq n SER 326 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3hbq n PRO 327 N -2.90 0.10 0.11 -1.46 -0.05 -1.15 -2.70 135.00 126.96 3hbq n PRO 327 Ca 0.13 0.42 0.01 0.00 -0.05 0.00 0.00 63.50 64.01 3hbq n PRO 327 Cb 0.50 -1.73 -0.01 0.00 -0.05 0.00 0.00 33.50 32.21 3hbq n PRO 327 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3hbq s VAL 329 N -2.92 3.12 0.32 0.00 1.01 -1.10 -5.04 120.40 115.79 3hbq s VAL 329 Ca 0.03 0.98 0.02 0.00 0.00 0.00 0.00 61.98 63.01 3hbq s VAL 329 Cb 0.08 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3hbq s VAL 329 CO 0.76 0.18 0.07 -0.67 0.00 0.00 0.00 175.10 175.44 3hbq n ASP 330 N 2.05 1.75 0.20 3.32 2.03 -1.26 -4.28 116.55 120.36 3hbq n ASP 330 Ca 0.04 -2.58 0.04 0.00 0.52 0.00 0.00 54.79 52.81 3hbq n ASP 330 Cb 0.43 0.59 0.41 0.00 -0.72 0.00 0.00 41.12 41.82 3hbq n ASP 330 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3hbq h TRP 331 N 1.39 0.00 0.00 -0.67 4.06 -1.96 -2.02 115.95 116.76 3hbq h TRP 331 Ca -0.25 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.58 3hbq h TRP 331 Cb 0.89 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.03 3hbq h TRP 331 CO 0.00 0.32 -0.59 0.38 -3.56 0.00 0.00 178.44 174.99 3hbq h ASP 332 N 0.00 0.00 0.06 -3.49 3.04 -2.02 -3.38 116.42 110.64 3hbq h ASP 332 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3hbq h ASP 332 Cb 0.57 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.86 3hbq h ASP 332 CO 0.04 0.56 -1.33 0.35 -2.04 0.00 0.00 179.24 176.82 3hbq n THR 333 N -3.23 0.02 -1.69 1.15 -2.24 -0.97 -4.99 114.28 102.34 3hbq n THR 333 Ca 0.01 -0.20 -0.45 0.00 -2.27 0.00 0.00 64.05 61.15 3hbq n THR 333 Cb 0.76 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 3hbq n THR 333 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3hbq n VAL 334 N -1.81 0.15 -3.99 2.28 3.14 -0.80 -4.89 118.33 112.41 3hbq n VAL 334 Ca 0.01 -0.03 -0.31 0.00 -2.96 0.00 0.00 64.34 61.05 3hbq n VAL 334 Cb 0.42 -1.80 -0.15 0.00 -1.06 0.00 0.00 33.84 31.26 3hbq n VAL 334 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hbq s ASP 335 N 1.74 4.37 0.17 6.55 -1.08 -1.26 -5.01 116.67 122.15 3hbq s ASP 335 Ca 0.80 -1.63 0.19 0.00 -0.52 0.00 0.00 52.55 51.40 3hbq s ASP 335 Cb -0.60 -1.42 0.83 0.00 -1.46 0.00 0.00 42.92 40.27 3hbq s ASP 335 CO 0.38 -0.29 1.60 -1.22 0.52 0.00 0.00 175.17 176.16 3hbq n TYR 336 N 4.47 0.51 1.30 -5.34 4.02 -1.26 -1.84 117.16 119.02 3hbq n TYR 336 Ca -0.06 0.21 0.14 0.00 -0.01 0.00 0.00 57.90 58.18 3hbq n TYR 336 Cb 0.42 -0.83 0.65 0.00 -0.02 0.00 0.00 39.34 39.56 3hbq n TYR 336 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3hbq n ARG 337 N -1.97 0.39 0.00 -0.72 1.74 -1.26 -3.98 116.66 110.86 3hbq n ARG 337 Ca 0.02 -0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.15 3hbq n ARG 337 Cb 0.19 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.32 3hbq n ARG 337 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hbq n THR 338 N -1.24 0.00 -4.13 0.55 -2.24 -0.76 -4.91 114.28 101.55 3hbq n THR 338 Ca 0.12 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 3hbq n THR 338 Cb 0.28 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.42 3hbq n THR 338 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hbq s ALA 339 N -2.26 0.94 0.55 6.98 0.00 -1.26 -5.13 121.76 121.58 3hbq s ALA 339 Ca 0.26 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 51.11 3hbq s ALA 339 Cb 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 3hbq s ALA 339 CO 0.44 0.09 1.08 -1.25 0.00 0.00 0.00 175.76 176.12 3hbq s PRO 340 N -1.73 3.43 0.21 0.00 0.04 -1.26 -4.98 135.00 130.70 3hbq s PRO 340 Ca -0.05 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 3hbq s PRO 340 Cb -0.10 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3hbq s PRO 340 CO 0.01 -0.75 1.30 0.00 0.04 0.00 0.00 177.00 177.60 3hbq s ALA 341 N -2.04 3.52 0.18 8.56 0.00 -1.26 -4.57 121.76 126.15 3hbq s ALA 341 Ca 0.68 1.10 -0.32 0.00 0.00 0.00 0.00 51.96 53.43 3hbq s ALA 341 Cb -0.19 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.34 3hbq s ALA 341 CO 0.28 -0.53 1.77 -0.89 0.00 0.00 0.00 175.76 176.39 3hbq n ILE 342 N 2.49 0.12 0.00 0.00 5.41 -0.34 -4.88 119.36 122.17 3hbq n ILE 342 Ca 0.06 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3hbq n ILE 342 Cb 0.43 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 3hbq n ILE 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hbq n GLN 343 N 4.54 0.00 -2.19 0.38 1.13 -1.26 -4.78 117.38 115.20 3hbq n GLN 343 Ca 0.17 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.88 3hbq n GLN 343 Cb 0.36 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.72 3hbq n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3hbq s GLU 344 N 0.00 3.30 0.19 -1.09 2.02 -1.26 0.19 118.70 122.05 3hbq s GLU 344 Ca 0.00 1.53 0.05 0.00 0.02 0.00 0.00 54.97 56.57 3hbq s GLU 344 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 3hbq s GLU 344 CO 0.00 -0.88 0.20 -0.51 0.02 0.00 0.00 175.26 174.09 3hbq s LEU 345 N -3.99 3.95 0.64 1.80 1.43 -1.25 -4.79 118.68 116.48 3hbq s LEU 345 Ca 0.71 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.66 3hbq s LEU 345 Cb -0.22 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.50 3hbq s LEU 345 CO 0.29 0.03 0.96 -2.16 0.23 0.00 0.00 176.35 175.70 3hbq s PRO 346 N -3.37 2.59 0.36 1.29 0.04 -1.26 -2.15 135.00 132.50 3hbq s PRO 346 Ca 0.32 -0.11 -0.27 0.00 0.04 0.00 0.00 61.00 60.98 3hbq s PRO 346 Cb -0.10 -2.22 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 3hbq s PRO 346 CO 0.25 -0.95 1.22 1.55 0.04 0.00 0.00 177.00 179.11 3hbq n VAL 347 N -2.75 2.17 -3.75 -0.36 3.14 -1.26 -4.35 118.33 111.17 3hbq n VAL 347 Ca 0.06 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.81 3hbq n VAL 347 Cb 0.59 -1.46 -0.10 0.00 -1.06 0.00 0.00 33.84 31.82 3hbq n VAL 347 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3hbq s GLN 348 N -1.93 0.54 0.21 1.45 2.00 -0.16 -4.81 119.66 116.97 3hbq s GLN 348 Ca 0.58 0.17 -0.18 0.00 -2.00 0.00 0.00 55.36 53.92 3hbq s GLN 348 Cb -0.57 0.25 0.03 0.00 0.80 0.00 0.00 33.01 33.52 3hbq s GLN 348 CO 0.61 -0.12 0.56 -1.54 -0.50 0.00 0.00 175.29 174.29 3hbq s SER 349 N -0.54 -0.28 0.01 6.67 1.04 -1.26 -0.62 113.70 118.71 3hbq s SER 349 Ca -0.07 -0.48 -0.23 0.00 0.48 0.00 0.00 55.95 55.65 3hbq s SER 349 Cb -0.04 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.74 3hbq s SER 349 CO 0.02 -1.09 0.51 0.00 0.98 0.00 0.00 173.24 173.66 3hbq s ALA 350 N -3.88 -1.30 -0.21 5.32 0.00 -0.83 -4.61 121.76 116.25 3hbq s ALA 350 Ca 0.10 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.55 3hbq s ALA 350 Cb -0.02 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3hbq s ALA 350 CO -0.02 -0.41 0.67 0.08 0.00 0.00 0.00 175.76 176.08 3hbq s VAL 351 N -1.87 4.98 -0.04 0.00 1.01 -1.26 -2.15 120.40 121.07 3hbq s VAL 351 Ca -0.09 1.26 0.19 0.00 0.00 0.00 0.00 61.98 63.34 3hbq s VAL 351 Cb -0.01 -3.98 -0.29 0.00 0.00 0.00 0.00 36.38 32.10 3hbq s VAL 351 CO 0.03 0.07 0.39 0.35 0.00 0.00 0.00 175.10 175.93 3hbq n THR 352 N 4.86 0.11 -3.70 3.92 -2.24 -0.39 -4.93 114.28 111.90 3hbq n THR 352 Ca 0.00 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 3hbq n THR 352 Cb 0.49 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 3hbq n THR 352 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3hbq s GLN 353 N -3.25 0.27 0.62 -0.78 0.74 -0.71 -4.55 119.66 112.00 3hbq s GLN 353 Ca -0.07 0.71 -0.08 0.00 0.05 0.00 0.00 55.36 55.97 3hbq s GLN 353 Cb 0.12 -0.03 0.14 0.00 1.10 0.00 0.00 33.01 34.34 3hbq s GLN 353 CO 0.79 -0.19 0.85 -0.35 -0.55 0.00 0.00 175.29 175.84 3hbq n PRO 354 N 4.56 -0.57 -3.94 1.67 -0.04 -1.26 -0.58 135.00 134.85 3hbq n PRO 354 Ca -0.20 -1.59 -0.32 0.00 -0.04 0.00 0.00 63.50 61.36 3hbq n PRO 354 Cb 0.53 -0.79 -0.05 0.00 -0.04 0.00 0.00 33.50 33.15 3hbq n PRO 354 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hbq s ARG 355 N -4.78 3.36 0.16 0.54 1.81 -1.26 -5.02 118.95 113.76 3hbq s ARG 355 Ca 0.50 -0.44 -0.33 0.00 -1.72 0.00 0.00 55.73 53.74 3hbq s ARG 355 Cb -0.02 -3.01 -0.16 0.00 -0.45 0.00 0.00 34.95 31.31 3hbq s ARG 355 CO 0.35 0.62 1.10 -2.30 -0.68 0.00 0.00 175.30 174.39 3hbq n PRO 356 N 0.53 0.94 -0.56 3.54 -0.02 -1.26 -1.60 135.00 136.56 3hbq n PRO 356 Ca -0.07 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3hbq n PRO 356 Cb 0.52 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3hbq n PRO 356 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hbq n GLY 357 N 1.95 1.85 3.77 -1.23 0.00 0.32 -4.97 105.19 106.88 3hbq n GLY 357 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3hbq n GLY 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbq s ALA 358 N -3.55 3.14 -0.25 4.61 0.00 -0.63 -4.78 121.76 120.31 3hbq s ALA 358 Ca 0.00 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 3hbq s ALA 358 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3hbq s ALA 358 CO 0.00 -0.86 0.19 0.00 0.00 0.00 0.00 175.76 175.10 3hbq s ALA 359 N -1.33 3.58 0.16 0.00 0.00 -1.26 -1.86 121.76 121.05 3hbq s ALA 359 Ca 0.60 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.70 3hbq s ALA 359 Cb -0.36 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 3hbq s ALA 359 CO 0.46 -0.32 0.07 0.14 0.00 0.00 0.00 175.76 176.11 3hbq s VAL 360 N 1.31 4.17 0.71 0.00 -7.23 0.70 -4.88 120.40 115.19 3hbq s VAL 360 Ca 0.08 -1.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.93 3hbq s VAL 360 Cb -0.14 -3.10 0.03 0.00 0.56 0.00 0.00 36.38 33.72 3hbq s VAL 360 CO 0.07 -0.08 1.12 -2.84 -0.31 0.00 0.00 175.10 173.05 3hbq s PRO 361 N -2.96 2.46 1.14 4.82 0.02 -1.26 -1.52 135.00 137.70 3hbq s PRO 361 Ca 0.29 1.39 -0.19 0.00 0.02 0.00 0.00 61.00 62.51 3hbq s PRO 361 Cb -0.10 -1.91 0.27 0.00 0.02 0.00 0.00 34.50 32.78 3hbq s PRO 361 CO 0.21 -1.52 1.20 -2.14 -0.33 0.00 0.00 177.00 174.43 3hbq s PRO 362 N -4.32 -0.77 4.88 5.54 0.02 -1.26 -4.67 135.00 134.42 3hbq s PRO 362 Ca 0.66 -0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.38 3hbq s PRO 362 Cb -0.21 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3hbq s PRO 362 CO 0.47 -3.37 0.00 0.41 -0.33 0.00 0.00 177.00 174.18 3hbq n GLY 363 N -2.07 1.76 3.28 0.52 0.00 -0.95 -4.86 105.19 102.88 3hbq n GLY 363 Ca 0.15 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3hbq n GLY 363 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbq s GLU 364 N 0.00 2.99 -0.12 1.61 2.02 -1.26 0.10 118.70 124.04 3hbq s GLU 364 Ca 0.00 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.20 3hbq s GLU 364 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.87 3hbq s GLU 364 CO 0.00 0.26 -0.23 -1.17 0.02 0.00 0.00 175.26 174.14 3hbq s LEU 365 N 0.17 2.10 -0.36 1.80 2.96 -0.33 -4.96 118.68 120.07 3hbq s LEU 365 Ca -0.12 -0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 53.10 3hbq s LEU 365 Cb -0.16 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.11 3hbq s LEU 365 CO 0.06 0.13 0.22 -0.89 -1.32 0.00 0.00 176.35 174.55 3hbq s THR 366 N 0.52 4.87 -0.18 3.68 2.01 -1.26 -1.10 115.64 124.18 3hbq s THR 366 Ca -0.14 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 3hbq s THR 366 Cb -0.17 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 3hbq s THR 366 CO 0.05 -0.11 0.26 -0.69 -0.69 0.00 0.00 174.62 173.43 3hbq s VAL 367 N 1.63 5.32 0.14 3.82 1.01 -0.60 -4.60 120.40 127.12 3hbq s VAL 367 Ca 0.04 0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.57 3hbq s VAL 367 Cb -0.18 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3hbq s VAL 367 CO 0.08 0.38 -0.21 -0.54 0.00 0.00 0.00 175.10 174.80 3hbq s LYS 368 N 0.63 1.28 0.00 2.72 1.02 0.26 -1.02 119.74 124.63 3hbq s LYS 368 Ca 0.14 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.80 3hbq s LYS 368 Cb -0.13 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 3hbq s LYS 368 CO 0.03 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.21 3hbq n GLY 369 N 0.65 2.12 3.26 -3.33 0.00 -0.46 -1.27 105.19 106.17 3hbq n GLY 369 Ca -0.16 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 3hbq n GLY 369 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hbq s TYR 370 N -6.16 1.31 -0.00 1.61 -0.85 -0.91 -1.78 117.35 110.56 3hbq s TYR 370 Ca 0.00 -0.81 -0.15 0.00 -0.52 0.00 0.00 57.07 55.58 3hbq s TYR 370 Cb 0.00 -0.70 0.02 0.00 0.38 0.00 0.00 41.96 41.67 3hbq s TYR 370 CO 0.00 0.03 0.33 0.00 -1.52 0.00 0.00 175.55 174.39 3hbq s ALA 371 N -3.38 -0.82 0.12 9.51 0.00 0.43 -1.96 121.76 125.67 3hbq s ALA 371 Ca 0.19 0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.23 3hbq s ALA 371 Cb 0.03 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.35 3hbq s ALA 371 CO 0.02 -0.30 0.60 -0.46 0.00 0.00 0.00 175.76 175.63 3hbq s TRP 372 N -1.57 -0.54 -0.00 0.00 -0.00 0.21 0.10 118.94 117.13 3hbq s TRP 372 Ca -0.12 0.44 -0.04 0.00 -0.00 0.00 0.00 56.10 56.38 3hbq s TRP 372 Cb -0.04 0.52 -0.00 0.00 -0.00 0.00 0.00 33.47 33.94 3hbq s TRP 372 CO 0.03 -0.80 0.07 0.45 -0.00 0.00 0.00 176.95 176.70 3hbq s SER 373 N -2.49 0.07 1.26 5.86 0.15 -1.26 -0.99 113.70 116.30 3hbq s SER 373 Ca -0.01 -0.20 -0.21 0.00 0.70 0.00 0.00 55.95 56.23 3hbq s SER 373 Cb -0.01 0.16 0.30 0.00 -1.71 0.00 0.00 66.02 64.77 3hbq s SER 373 CO -0.09 -0.26 1.06 0.61 1.20 0.00 0.00 173.24 175.76 3hbq n GLY 374 N 1.92 -2.84 2.55 9.45 0.00 -0.91 -4.29 105.19 111.07 3hbq n GLY 374 Ca -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3hbq n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbq n GLY 375 N -4.70 0.78 2.54 -0.02 0.00 -0.05 -1.73 105.19 102.00 3hbq n GLY 375 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 3hbq n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbq n GLY 376 N -2.44 0.37 3.69 -0.02 0.00 -1.26 -4.81 105.19 100.72 3hbq n GLY 376 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3hbq n GLY 376 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hbq s ARG 377 N -1.41 4.37 0.49 1.61 0.52 -0.71 -0.43 118.95 123.39 3hbq s ARG 377 Ca 0.00 1.61 -0.22 0.00 -0.52 0.00 0.00 55.73 56.60 3hbq s ARG 377 Cb 0.00 -3.55 -0.07 0.00 0.52 0.00 0.00 34.95 31.85 3hbq s ARG 377 CO 0.00 -0.42 1.18 -2.00 0.02 0.00 0.00 175.30 174.08 3hbq s GLU 378 N 2.18 3.57 -0.17 3.54 2.12 -1.26 -4.15 118.70 124.52 3hbq s GLU 378 Ca 0.54 1.79 -0.28 0.00 0.36 0.00 0.00 54.97 57.38 3hbq s GLU 378 Cb -0.23 -2.29 -0.00 0.00 0.26 0.00 0.00 34.13 31.87 3hbq s GLU 378 CO 0.21 -0.71 0.98 0.08 -0.54 0.00 0.00 175.26 175.28 3hbq s VAL 379 N -1.57 4.76 -1.02 3.70 1.01 -1.26 -0.19 120.40 125.84 3hbq s VAL 379 Ca 0.67 1.95 0.14 0.00 0.00 0.00 0.00 61.98 64.74 3hbq s VAL 379 Cb -0.29 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 3hbq s VAL 379 CO 0.34 -0.07 0.70 1.33 0.00 0.00 0.00 175.10 177.40 3hbq n VAL 380 N 4.93 0.00 -3.62 2.92 0.24 -0.05 -4.93 118.33 117.82 3hbq n VAL 380 Ca 0.09 -0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 62.05 3hbq n VAL 380 Cb 0.48 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.88 3hbq n VAL 380 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hbq s ARG 381 N -2.01 0.39 -0.09 7.34 3.52 -1.20 -5.02 118.95 121.88 3hbq s ARG 381 Ca 0.09 0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.98 3hbq s ARG 381 Cb 0.11 0.19 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 3hbq s ARG 381 CO 0.46 -0.08 -0.04 0.08 -0.81 0.00 0.00 175.30 174.91 3hbq s VAL 382 N -0.34 0.68 0.05 7.11 1.01 -1.26 -2.15 120.40 125.49 3hbq s VAL 382 Ca 0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 3hbq s VAL 382 Cb -0.03 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 3hbq s VAL 382 CO -0.06 0.31 0.39 -1.81 0.00 0.00 0.00 175.10 173.93 3hbq s ASP 383 N 1.82 6.67 -0.02 3.32 1.01 -0.22 0.13 116.67 129.37 3hbq s ASP 383 Ca 0.04 0.82 0.05 0.00 0.71 0.00 0.00 52.55 54.17 3hbq s ASP 383 Cb -0.12 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 3hbq s ASP 383 CO -0.06 0.22 -0.16 -0.69 0.21 0.00 0.00 175.17 174.68 3hbq s VAL 384 N -1.30 1.32 0.10 -1.27 1.01 0.52 -1.48 120.40 119.30 3hbq s VAL 384 Ca 0.30 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.69 3hbq s VAL 384 Cb -0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3hbq s VAL 384 CO 0.16 0.38 -0.26 -0.55 0.00 0.00 0.00 175.10 174.83 3hbq s SER 385 N -0.24 3.22 -0.00 3.32 0.15 0.14 -1.64 113.70 118.64 3hbq s SER 385 Ca 0.03 -0.70 0.13 0.00 0.70 0.00 0.00 55.95 56.11 3hbq s SER 385 Cb -0.08 -0.23 -0.15 0.00 -1.71 0.00 0.00 66.02 63.84 3hbq s SER 385 CO 0.00 0.20 0.47 0.18 1.20 0.00 0.00 173.24 175.29 3hbq n LEU 386 N 1.18 0.45 -2.17 3.45 4.77 -1.25 -1.10 117.00 122.32 3hbq n LEU 386 Ca -0.18 -0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 55.19 3hbq n LEU 386 Cb 0.53 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3hbq n LEU 386 CO 0.23 0.11 0.18 -0.90 -1.33 0.00 0.00 177.39 175.68 3hbq n ASP 387 N -1.46 4.77 -0.05 -1.43 5.68 -1.17 -2.26 116.55 120.62 3hbq n ASP 387 Ca 0.01 -3.70 -0.01 0.00 -0.50 0.00 0.00 54.79 50.60 3hbq n ASP 387 Cb 0.23 -0.38 -0.00 0.00 -1.14 0.00 0.00 41.12 39.83 3hbq n ASP 387 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hbq n GLY 388 N -0.64 0.37 0.00 6.12 0.00 -0.79 -3.44 105.19 106.80 3hbq n GLY 388 Ca 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3hbq n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbq n GLY 389 N -1.53 1.87 0.11 -0.02 0.00 -1.26 -4.99 105.19 99.36 3hbq n GLY 389 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 3hbq n GLY 389 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbq n ARG 390 N -1.04 0.68 -4.15 1.61 1.74 -1.22 -4.96 116.66 109.31 3hbq n ARG 390 Ca 0.00 0.15 -0.16 0.00 -0.77 0.00 0.00 57.85 57.07 3hbq n ARG 390 Cb 0.00 -1.62 -0.12 0.00 -1.02 0.00 0.00 32.46 29.70 3hbq n ARG 390 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3hbq s THR 391 N -2.53 0.72 0.14 0.55 -4.23 -1.26 -5.13 115.64 103.90 3hbq s THR 391 Ca -0.17 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 3hbq s THR 391 Cb 0.07 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 3hbq s THR 391 CO 0.77 -0.20 -0.09 0.26 -0.54 0.00 0.00 174.62 174.81 3hbq s TRP 392 N -1.06 1.18 0.04 3.99 0.52 -1.26 -4.29 118.94 118.05 3hbq s TRP 392 Ca -0.05 -0.79 -0.08 0.00 0.02 0.00 0.00 56.10 55.21 3hbq s TRP 392 Cb -0.08 -0.61 -0.00 0.00 -1.15 0.00 0.00 33.47 31.62 3hbq s TRP 392 CO 0.01 0.03 0.15 -1.59 0.02 0.00 0.00 176.95 175.57 3hbq s LYS 393 N -3.75 0.63 -0.19 4.98 -2.85 -0.65 -4.94 119.74 112.97 3hbq s LYS 393 Ca 0.15 -0.65 -0.22 0.00 -1.00 0.00 0.00 55.97 54.25 3hbq s LYS 393 Cb 0.03 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 3hbq s LYS 393 CO -0.01 -0.17 0.68 0.08 0.10 0.00 0.00 175.35 176.03 3hbq s VAL 394 N -2.46 4.99 0.79 1.79 1.01 -1.26 -0.36 120.40 124.89 3hbq s VAL 394 Ca -0.06 1.29 -0.12 0.00 0.00 0.00 0.00 61.98 63.09 3hbq s VAL 394 Cb -0.02 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.44 3hbq s VAL 394 CO -0.04 0.09 1.11 0.00 0.00 0.00 0.00 175.10 176.27 3hbq s ALA 395 N 1.97 2.43 -0.08 5.51 0.00 0.12 -4.95 121.76 126.76 3hbq s ALA 395 Ca 0.31 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.77 3hbq s ALA 395 Cb -0.16 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 3hbq s ALA 395 CO 0.11 -1.62 0.41 0.50 0.00 0.00 0.00 175.76 175.15 3hbq s ARG 396 N -5.29 4.14 -0.26 0.00 3.52 -0.38 -4.66 118.95 116.03 3hbq s ARG 396 Ca 0.61 0.36 -0.14 0.00 -0.13 0.00 0.00 55.73 56.42 3hbq s ARG 396 Cb -0.13 -3.34 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3hbq s ARG 396 CO 0.53 0.40 0.34 -0.51 -0.81 0.00 0.00 175.30 175.24 3hbq s LEU 397 N -0.11 4.05 0.49 -0.88 1.43 -1.26 -2.01 118.68 120.38 3hbq s LEU 397 Ca 0.23 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3hbq s LEU 397 Cb -0.15 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 3hbq s LEU 397 CO 0.10 -0.14 0.77 -0.04 0.23 0.00 0.00 176.35 177.27 3hbq s MET 398 N 1.90 3.33 0.00 1.70 -1.94 0.13 -5.01 119.30 119.41 3hbq s MET 398 Ca 0.14 0.00 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 3hbq s MET 398 Cb -0.16 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.28 3hbq s MET 398 CO 0.10 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 3hbq n GLY 399 N -2.26 1.99 3.60 -0.03 0.00 -1.26 -3.80 105.19 103.43 3hbq n GLY 399 Ca 0.01 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 3hbq n GLY 399 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbq s ASP 400 N 0.00 4.77 0.29 1.61 1.01 -1.26 -5.08 116.67 118.01 3hbq s ASP 400 Ca 0.00 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 52.98 3hbq s ASP 400 Cb 0.00 -1.23 -0.12 0.00 1.01 0.00 0.00 42.92 42.57 3hbq s ASP 400 CO 0.00 0.37 1.45 1.17 0.21 0.00 0.00 175.17 178.37 3hbq n LYS 401 N 2.19 2.34 -2.95 8.23 4.81 -1.26 -5.02 118.16 126.50 3hbq n LYS 401 Ca -0.18 0.83 -0.18 0.00 -0.87 0.00 0.00 58.31 57.91 3hbq n LYS 401 Cb 0.53 -2.52 0.02 0.00 0.02 0.00 0.00 35.03 33.08 3hbq n LYS 401 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hbq s ALA 402 N -0.39 4.45 1.02 3.14 0.00 -1.26 -5.08 121.76 123.64 3hbq s ALA 402 Ca 0.62 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 3hbq s ALA 402 Cb -0.56 -1.68 0.20 0.00 0.00 0.00 0.00 23.12 21.08 3hbq s ALA 402 CO 0.54 -0.41 1.10 -2.30 0.00 0.00 0.00 175.76 174.68 3hbq n PRO 403 N -1.97 -1.24 -1.56 0.00 -0.02 -1.26 -4.88 135.00 124.07 3hbq n PRO 403 Ca 0.09 -0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 60.90 3hbq n PRO 403 Cb 0.59 -2.30 0.08 0.00 -0.02 0.00 0.00 33.50 31.86 3hbq n PRO 403 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hbq n PRO 404 N -4.54 0.87 -0.84 0.52 -0.04 -1.26 -2.44 135.00 127.26 3hbq n PRO 404 Ca 0.09 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 3hbq n PRO 404 Cb 0.53 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 3hbq n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hbq n GLY 405 N 0.83 0.14 1.36 0.55 0.00 -1.26 -4.79 105.19 102.02 3hbq n GLY 405 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3hbq n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbq n ARG 406 N -0.69 0.54 -2.45 1.61 1.74 -0.76 -4.43 116.66 112.22 3hbq n ARG 406 Ca 0.00 -2.43 -0.43 0.00 -0.77 0.00 0.00 57.85 54.22 3hbq n ARG 406 Cb 0.24 -0.51 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 3hbq n ARG 406 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hbq n ALA 407 N 0.03 4.15 0.72 7.54 0.00 0.43 -4.64 120.51 128.74 3hbq n ALA 407 Ca 0.10 -3.96 0.13 0.00 0.00 0.00 0.00 53.44 49.71 3hbq n ALA 407 Cb 1.02 -3.46 0.47 0.00 0.00 0.00 0.00 19.45 17.48 3hbq n ALA 407 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3hbq n TRP 408 N 7.14 0.60 -4.00 0.00 5.03 -1.26 -4.30 117.44 120.64 3hbq n TRP 408 Ca 0.47 0.18 -0.30 0.00 3.03 0.00 0.00 57.50 60.88 3hbq n TRP 408 Cb 0.43 -0.80 -0.05 0.00 -1.03 0.00 0.00 31.31 29.86 3hbq n TRP 408 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3hbq s ALA 409 N -3.08 3.74 0.87 6.99 0.00 -1.25 -1.50 121.76 127.52 3hbq s ALA 409 Ca 0.11 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 3hbq s ALA 409 Cb 0.14 -1.58 0.12 0.00 0.00 0.00 0.00 23.12 21.80 3hbq s ALA 409 CO 0.55 0.74 1.11 1.67 0.00 0.00 0.00 175.76 179.82 3hbq s TRP 410 N -1.49 2.12 -0.15 0.00 -2.14 -1.26 -4.87 118.94 111.15 3hbq s TRP 410 Ca 0.32 1.55 -0.07 0.00 2.66 0.00 0.00 56.10 60.56 3hbq s TRP 410 Cb -0.12 -3.17 -0.04 0.00 -3.10 0.00 0.00 33.47 27.04 3hbq s TRP 410 CO 0.24 -2.40 0.10 0.00 -2.66 0.00 0.00 176.95 172.24 3hbq s ALA 411 N -2.79 3.64 -0.12 2.67 0.00 0.11 -4.95 121.76 120.32 3hbq s ALA 411 Ca 0.64 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.82 3hbq s ALA 411 Cb -0.20 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 3hbq s ALA 411 CO 0.57 0.40 0.16 -0.51 0.00 0.00 0.00 175.76 176.39 3hbq s LEU 412 N -0.35 4.36 0.19 0.00 1.43 -1.25 -0.43 118.68 122.64 3hbq s LEU 412 Ca 0.10 0.47 0.08 0.00 -1.03 0.00 0.00 54.13 53.75 3hbq s LEU 412 Cb -0.12 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 3hbq s LEU 412 CO 0.01 0.36 -0.15 -1.66 0.23 0.00 0.00 176.35 175.14 3hbq s TRP 413 N -0.77 1.69 0.02 0.29 1.48 -0.74 0.19 118.94 121.12 3hbq s TRP 413 Ca 0.15 -0.57 -0.18 0.00 -1.06 0.00 0.00 56.10 54.44 3hbq s TRP 413 Cb -0.12 -0.80 0.03 0.00 -1.16 0.00 0.00 33.47 31.43 3hbq s TRP 413 CO 0.04 0.34 0.40 -1.83 -4.06 0.00 0.00 176.95 171.84 3hbq s GLU 414 N -3.51 0.87 -0.24 3.25 -1.05 -0.85 -1.35 118.70 115.82 3hbq s GLU 414 Ca 0.21 -0.29 -0.04 0.00 -0.15 0.00 0.00 54.97 54.70 3hbq s GLU 414 Cb -0.01 0.39 0.13 0.00 -0.44 0.00 0.00 34.13 34.20 3hbq s GLU 414 CO 0.06 -0.29 0.41 -1.17 0.95 0.00 0.00 175.26 175.23 3hbq s LEU 415 N -1.81 -0.71 -0.26 1.83 2.96 -0.19 -1.25 118.68 119.26 3hbq s LEU 415 Ca -0.07 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.09 3hbq s LEU 415 Cb -0.02 1.27 -0.02 0.00 0.50 0.00 0.00 46.19 47.92 3hbq s LEU 415 CO -0.00 -0.28 0.65 -0.89 -1.32 0.00 0.00 176.35 174.51 3hbq s THR 416 N 2.59 4.96 0.19 3.68 2.01 -1.26 -1.56 115.64 126.25 3hbq s THR 416 Ca 0.10 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.27 3hbq s THR 416 Cb -0.15 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 3hbq s THR 416 CO -0.16 -0.00 0.03 0.68 -0.69 0.00 0.00 174.62 174.48 3hbq s VAL 417 N 2.56 0.60 0.15 3.82 -7.23 -0.25 -4.94 120.40 115.11 3hbq s VAL 417 Ca 0.27 -1.98 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 3hbq s VAL 417 Cb -0.15 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 3hbq s VAL 417 CO 0.09 -0.37 0.88 -2.16 -0.31 0.00 0.00 175.10 173.23 3hbq s PRO 418 N -3.95 4.69 -0.03 4.82 0.04 -1.26 -1.19 135.00 138.12 3hbq s PRO 418 Ca 0.27 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.68 3hbq s PRO 418 Cb 0.07 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 3hbq s PRO 418 CO 0.06 0.41 -0.12 0.14 0.04 0.00 0.00 177.00 177.53 3hbq s VAL 419 N -0.66 1.02 0.29 -0.36 -7.23 0.11 -4.94 120.40 108.64 3hbq s VAL 419 Ca 0.41 -0.50 -0.07 0.00 -1.81 0.00 0.00 61.98 60.01 3hbq s VAL 419 Cb -0.24 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.76 3hbq s VAL 419 CO 0.29 0.30 0.59 -1.61 -0.31 0.00 0.00 175.10 174.35 3hbq s GLU 420 N 0.06 3.70 0.05 4.82 0.41 -1.26 -2.23 118.70 124.25 3hbq s GLU 420 Ca -0.02 0.15 -0.35 0.00 -0.41 0.00 0.00 54.97 54.35 3hbq s GLU 420 Cb -0.09 -2.61 -0.14 0.00 -1.78 0.00 0.00 34.13 29.52 3hbq s GLU 420 CO 0.01 0.20 1.62 0.00 -0.49 0.00 0.00 175.26 176.60 3hbq n ALA 421 N -0.77 0.62 -3.77 5.21 0.00 -1.26 -3.01 120.51 117.53 3hbq n ALA 421 Ca -0.00 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 3hbq n ALA 421 Cb 0.53 -2.32 0.02 0.00 0.00 0.00 0.00 19.45 17.69 3hbq n ALA 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbq n GLY 422 N 3.53 -0.27 3.89 0.00 0.00 0.46 -4.92 105.19 107.89 3hbq n GLY 422 Ca 0.19 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 3hbq n GLY 422 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hbq s THR 423 N -3.74 2.50 -0.06 2.61 -4.23 -1.16 -4.91 115.64 106.65 3hbq s THR 423 Ca 0.00 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 3hbq s THR 423 Cb -0.00 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 3hbq s THR 423 CO 0.83 0.00 -0.22 -1.61 -0.54 0.00 0.00 174.62 173.08 3hbq s GLU 424 N -4.19 2.59 0.01 3.99 0.41 -1.26 -1.43 118.70 118.81 3hbq s GLU 424 Ca 0.47 -0.86 0.07 0.00 -0.41 0.00 0.00 54.97 54.25 3hbq s GLU 424 Cb -0.03 -2.23 -0.02 0.00 -1.78 0.00 0.00 34.13 30.07 3hbq s GLU 424 CO 0.28 0.41 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.74 3hbq s LEU 425 N -0.23 2.09 -0.24 1.80 1.43 0.01 -5.00 118.68 118.53 3hbq s LEU 425 Ca -0.01 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3hbq s LEU 425 Cb -0.13 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.04 3hbq s LEU 425 CO 0.03 0.23 -0.10 -0.70 0.23 0.00 0.00 176.35 176.04 3hbq s GLU 426 N -0.75 2.63 -0.26 1.70 2.12 -0.96 -1.54 118.70 121.64 3hbq s GLU 426 Ca 0.08 -1.10 -0.10 0.00 0.36 0.00 0.00 54.97 54.21 3hbq s GLU 426 Cb -0.09 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 3hbq s GLU 426 CO 0.00 -0.44 0.17 0.42 -0.54 0.00 0.00 175.26 174.87 3hbq s ILE 427 N 1.23 5.26 0.01 -3.70 1.01 0.19 -1.89 121.20 123.30 3hbq s ILE 427 Ca -0.02 0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.85 3hbq s ILE 427 Cb -0.17 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3hbq s ILE 427 CO -0.06 0.30 -0.24 -0.69 0.00 0.00 0.00 174.94 174.25 3hbq s VAL 428 N 1.45 1.90 0.12 2.92 1.01 -0.26 -0.79 120.40 126.75 3hbq s VAL 428 Ca 0.07 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.98 3hbq s VAL 428 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3hbq s VAL 428 CO 0.08 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.49 3hbq s LYS 430 N -2.72 0.83 0.19 0.00 -2.85 -0.55 -3.52 119.74 111.12 3hbq s LYS 430 Ca 0.08 0.50 0.11 0.00 -1.00 0.00 0.00 55.97 55.67 3hbq s LYS 430 Cb -0.04 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 3hbq s LYS 430 CO 0.02 -0.19 -0.24 0.00 0.10 0.00 0.00 175.35 175.05 3hbq s ALA 431 N -0.44 2.47 -0.04 0.59 0.00 -1.26 -1.06 121.76 122.03 3hbq s ALA 431 Ca -0.06 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.31 3hbq s ALA 431 Cb -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3hbq s ALA 431 CO 0.05 0.42 -0.09 0.08 0.00 0.00 0.00 175.76 176.22 3hbq s VAL 432 N -1.66 0.81 0.40 0.00 1.01 -0.91 -3.85 120.40 116.19 3hbq s VAL 432 Ca 0.20 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3hbq s VAL 432 Cb -0.08 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.61 3hbq s VAL 432 CO 0.09 0.26 0.43 -0.90 0.00 0.00 0.00 175.10 174.99 3hbq n ASP 433 N 3.55 1.85 0.31 3.32 5.68 -0.83 -0.87 116.55 129.57 3hbq n ASP 433 Ca -0.21 -2.21 0.20 0.00 -0.50 0.00 0.00 54.79 52.08 3hbq n ASP 433 Cb 0.53 -0.17 0.96 0.00 -1.14 0.00 0.00 41.12 41.30 3hbq n ASP 433 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3hbq h SER 434 N 0.26 0.00 -0.05 -1.12 4.64 -0.85 0.45 113.55 116.87 3hbq h SER 434 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3hbq h SER 434 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3hbq h SER 434 CO 0.33 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.75 3hbq n SER 435 N -3.09 1.73 -0.96 4.97 3.41 -1.26 -4.93 113.62 113.49 3hbq n SER 435 Ca -0.01 -1.60 -0.12 0.00 -0.26 0.00 0.00 58.87 56.87 3hbq n SER 435 Cb 0.19 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3hbq n SER 435 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hbq n TYR 436 N 0.35 -0.01 -1.99 7.33 4.01 0.16 -5.00 117.16 122.01 3hbq n TYR 436 Ca 0.18 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.54 3hbq n TYR 436 Cb 0.38 -2.29 0.02 0.00 -0.31 0.00 0.00 39.34 37.14 3hbq n TYR 436 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3hbq s ASN 437 N -2.86 5.67 0.45 7.72 -0.87 -1.26 -4.76 114.94 119.03 3hbq s ASN 437 Ca 0.00 2.57 0.03 0.00 -1.57 0.00 0.00 52.86 53.88 3hbq s ASN 437 Cb 0.00 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.59 3hbq s ASN 437 CO 0.00 -1.28 0.09 0.68 -2.57 0.00 0.00 177.10 174.02 3hbq s VAL 438 N -1.41 0.75 0.02 1.60 -7.23 -1.26 -1.96 120.40 110.91 3hbq s VAL 438 Ca 0.68 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3hbq s VAL 438 Cb -0.35 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 3hbq s VAL 438 CO 0.42 0.00 -0.06 -1.10 -0.31 0.00 0.00 175.10 174.05 3hbq s GLN 439 N -3.75 2.53 0.57 4.82 -0.21 -1.25 -4.82 119.66 117.55 3hbq s GLN 439 Ca 0.16 -0.75 -0.15 0.00 0.02 0.00 0.00 55.36 54.65 3hbq s GLN 439 Cb 0.02 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.48 3hbq s GLN 439 CO 0.10 0.59 1.02 -1.25 -2.12 0.00 0.00 175.29 173.63 3hbq s PRO 440 N -1.53 3.65 0.07 2.91 0.04 -1.26 -4.82 135.00 134.07 3hbq s PRO 440 Ca 0.18 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 3hbq s PRO 440 Cb -0.11 -2.09 -0.17 0.00 0.04 0.00 0.00 34.50 32.17 3hbq s PRO 440 CO 0.09 -0.52 1.65 -0.44 0.04 0.00 0.00 177.00 177.82 3hbq h ASP 441 N 0.39 -0.41 -2.89 6.66 5.19 -1.97 -2.56 116.42 120.83 3hbq h ASP 441 Ca -0.46 -0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.44 3hbq h ASP 441 Cb 1.19 0.11 -0.14 0.00 0.18 0.00 0.00 39.33 40.68 3hbq h ASP 441 CO 0.60 -0.28 -0.59 -0.94 -3.12 0.00 0.00 179.24 174.92 3hbq s SER 442 N -4.78 2.70 -0.13 6.45 1.04 -1.26 -3.65 113.70 114.07 3hbq s SER 442 Ca -0.15 -1.44 0.06 0.00 0.48 0.00 0.00 55.95 54.89 3hbq s SER 442 Cb 0.04 0.02 -0.23 0.00 0.10 0.00 0.00 66.02 65.95 3hbq s SER 442 CO 0.63 -0.66 0.31 0.52 0.98 0.00 0.00 173.24 175.03 3hbq n VAL 443 N -0.79 1.61 -0.26 5.02 0.31 -1.26 -4.34 118.33 118.62 3hbq n VAL 443 Ca -0.04 -0.73 0.06 0.00 -0.01 0.00 0.00 64.34 63.62 3hbq n VAL 443 Cb 0.66 -1.22 0.20 0.00 -0.91 0.00 0.00 33.84 32.57 3hbq n VAL 443 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hbq h ALA 444 N 0.54 1.06 0.00 3.52 0.00 -1.96 -0.70 119.26 121.71 3hbq h ALA 444 Ca -0.43 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hbq h ALA 444 Cb 2.04 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3hbq h ALA 444 CO 0.05 -0.26 0.00 -2.30 0.00 0.00 0.00 179.25 176.73 3hbq n PRO 445 N -5.05 0.08 -0.39 0.00 -0.02 -1.26 -1.14 135.00 127.22 3hbq n PRO 445 Ca 0.15 0.09 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 3hbq n PRO 445 Cb 0.45 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.67 3hbq n PRO 445 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3hbq n ILE 446 N -1.45 1.78 -2.11 4.25 -5.35 -0.31 -4.62 119.36 111.56 3hbq n ILE 446 Ca 0.07 -1.45 -0.37 0.00 -0.27 0.00 0.00 62.75 60.72 3hbq n ILE 446 Cb 0.25 0.07 0.01 0.00 -1.74 0.00 0.00 39.64 38.22 3hbq n ILE 446 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3hbq s TRP 447 N -2.03 2.70 -0.03 4.28 -0.00 -0.29 -4.87 118.94 118.69 3hbq s TRP 447 Ca 0.37 1.49 -0.06 0.00 -0.00 0.00 0.00 56.10 57.90 3hbq s TRP 447 Cb 0.26 -3.51 0.01 0.00 -0.00 0.00 0.00 33.47 30.24 3hbq s TRP 447 CO 0.14 -1.93 0.14 0.54 -0.00 0.00 0.00 176.95 175.84 3hbq s ASN 448 N -1.23 -0.08 0.64 5.86 2.20 -1.26 -2.93 114.94 118.13 3hbq s ASN 448 Ca 0.66 0.11 0.28 0.00 -0.94 0.00 0.00 52.86 52.96 3hbq s ASN 448 Cb -0.32 0.27 1.51 0.00 -2.00 0.00 0.00 41.25 40.71 3hbq s ASN 448 CO 0.39 -0.17 1.84 0.17 -2.94 0.00 0.00 177.10 176.39 3hbq h LEU 449 N 5.32 0.00 -0.67 3.54 -0.00 -1.84 -0.04 115.31 121.63 3hbq h LEU 449 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 3hbq h LEU 449 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 3hbq h LEU 449 CO 0.41 0.00 -0.41 -1.14 -0.00 0.00 0.00 178.44 177.30 3hbq n ARG 450 N -2.81 1.79 -1.07 0.17 0.63 -1.26 -3.84 116.66 110.27 3hbq n ARG 450 Ca -0.02 -0.61 -0.02 0.00 -0.92 0.00 0.00 57.85 56.28 3hbq n ARG 450 Cb 0.39 -1.25 -0.01 0.00 0.45 0.00 0.00 32.46 32.04 3hbq n ARG 450 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hbq n GLY 451 N 1.18 0.57 3.96 5.14 0.00 -0.03 -4.72 105.19 111.30 3hbq n GLY 451 Ca 0.06 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 3hbq n GLY 451 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbq s VAL 452 N -2.04 2.34 -1.16 1.61 -7.23 -1.26 -4.48 120.40 108.18 3hbq s VAL 452 Ca 0.00 -0.46 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 3hbq s VAL 452 Cb 0.00 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 3hbq s VAL 452 CO 0.00 0.00 0.85 0.18 -0.31 0.00 0.00 175.10 175.82 3hbq n LEU 453 N -2.77 -4.14 -4.37 1.32 4.77 -0.84 -4.78 117.00 106.19 3hbq n LEU 453 Ca 0.10 -0.79 -0.44 0.00 -0.03 0.00 0.00 56.01 54.86 3hbq n LEU 453 Cb 0.60 -2.89 -0.08 0.00 -2.33 0.00 0.00 43.42 38.72 3hbq n LEU 453 CO 0.47 0.30 0.02 -0.55 -1.33 0.00 0.00 177.39 176.31 3hbq s SER 454 N -3.83 6.09 0.00 -1.43 0.15 -1.26 -4.83 113.70 108.59 3hbq s SER 454 Ca 0.26 -1.39 0.00 0.00 0.70 0.00 0.00 55.95 55.53 3hbq s SER 454 Cb -0.06 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 3hbq s SER 454 CO 0.78 -0.65 0.50 0.35 1.20 0.00 0.00 173.24 175.42 3hbq n THR 455 N 5.17 0.00 -0.58 6.45 -2.24 -1.26 -4.76 114.28 117.06 3hbq n THR 455 Ca -0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 3hbq n THR 455 Cb 0.43 0.82 0.21 0.00 -2.10 0.00 0.00 70.33 69.69 3hbq n THR 455 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hbq s ALA 456 N 0.00 0.45 0.43 6.98 0.00 -1.26 -4.22 121.76 124.14 3hbq s ALA 456 Ca 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 52.00 3hbq s ALA 456 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.65 3hbq s ALA 456 CO 0.00 -3.36 0.92 0.91 0.00 0.00 0.00 175.76 174.23 3hbq n TRP 457 N -4.62 0.85 -3.35 0.00 8.01 -0.96 -4.92 117.44 112.44 3hbq n TRP 457 Ca 0.08 0.56 -0.39 0.00 -1.31 0.00 0.00 57.50 56.44 3hbq n TRP 457 Cb 0.53 -2.18 -0.09 0.00 -2.01 0.00 0.00 31.31 27.56 3hbq n TRP 457 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 3hbq s HIS 458 N -1.32 3.25 -0.12 -5.99 2.46 -1.23 -4.97 115.29 107.37 3hbq s HIS 458 Ca 0.64 0.43 -0.04 0.00 0.47 0.00 0.00 55.06 56.56 3hbq s HIS 458 Cb -0.56 -2.62 -0.04 0.00 -0.13 0.00 0.00 32.58 29.23 3hbq s HIS 458 CO 0.56 -0.26 0.03 1.03 -2.47 0.00 0.00 174.74 173.63 3hbq s ARG 459 N 2.14 3.32 -0.16 2.88 0.52 -1.26 -2.90 118.95 123.49 3hbq s ARG 459 Ca 0.16 -0.37 -0.03 0.00 -0.52 0.00 0.00 55.73 54.98 3hbq s ARG 459 Cb -0.16 -2.95 0.05 0.00 0.52 0.00 0.00 34.95 32.42 3hbq s ARG 459 CO 0.10 0.58 0.04 0.08 0.02 0.00 0.00 175.30 176.12 3hbq s VAL 460 N -0.52 0.37 -0.16 3.52 1.01 0.03 -4.93 120.40 119.72 3hbq s VAL 460 Ca 0.10 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 3hbq s VAL 460 Cb -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3hbq s VAL 460 CO 0.02 -0.12 0.69 -0.13 0.00 0.00 0.00 175.10 175.57 3hbq s ARG 461 N 1.94 4.29 0.13 2.72 1.81 -1.26 -0.64 118.95 127.95 3hbq s ARG 461 Ca 0.01 0.77 -0.01 0.00 -1.72 0.00 0.00 55.73 54.79 3hbq s ARG 461 Cb -0.16 -3.54 -0.04 0.00 -0.45 0.00 0.00 34.95 30.76 3hbq s ARG 461 CO -0.07 -0.18 0.05 0.14 -0.68 0.00 0.00 175.30 174.55 3hbq s VAL 462 N 1.68 0.17 0.24 3.52 -7.23 -0.59 0.12 120.40 118.31 3hbq s VAL 462 Ca 0.33 -1.92 0.12 0.00 -1.81 0.00 0.00 61.98 58.70 3hbq s VAL 462 Cb -0.16 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 3hbq s VAL 462 CO 0.13 -0.48 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.29 3hbq s SER 463 N -3.06 3.54 -0.22 4.85 1.04 -0.78 -0.81 113.70 118.26 3hbq s SER 463 Ca 0.24 -0.95 -0.06 0.00 0.48 0.00 0.00 55.95 55.66 3hbq s SER 463 Cb 0.07 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3hbq s SER 463 CO 0.02 0.07 0.03 -0.69 0.98 0.00 0.00 173.24 173.65 3hbq s VAL 464 N -2.14 4.09 0.91 5.02 1.01 -0.52 -0.21 120.40 128.55 3hbq s VAL 464 Ca 0.26 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 3hbq s VAL 464 Cb -0.06 -2.88 0.14 0.00 0.00 0.00 0.00 36.38 33.58 3hbq s VAL 464 CO 0.13 0.39 1.10 -1.10 0.00 0.00 0.00 175.10 175.62 3hbq s GLN 465 N 1.28 1.09 0.00 2.72 -0.21 -0.58 -0.40 119.66 123.56 3hbq s GLN 465 Ca 0.04 1.14 0.30 0.00 0.02 0.00 0.00 55.36 56.87 3hbq s GLN 465 Cb -0.15 -1.76 1.56 0.00 1.00 0.00 0.00 33.01 33.66 3hbq s GLN 465 CO 0.02 -2.45 2.03 -0.25 -2.12 0.00 0.00 175.29 172.52